USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 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 60 HIS :FLIP no HD1:sc= -2.42 F(o=-3.7!,f=-2.4) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc=-0.000858 F(o=-3.7,f=-2.4) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-0.86) USER MOD Set 3.1: A 16 CYS SG : rot 162:sc= -0.429 USER MOD Set 3.2: A 19 CYS SG : rot -96:sc= 0.762 USER MOD Set 3.3: A 21 THR OG1 : rot 109:sc= 1.34 USER MOD Set 3.4: A 23 SER OG : rot 100:sc= -0.874 USER MOD Set 3.5: A 41 CYS SG : rot -158:sc= 0.0904 USER MOD Set 3.6: A 43 HIS : no HD1:sc= 0 X(o=-2,f=-2) USER MOD Set 3.7: A 44 CYS SG : rot -64:sc= -2.85! USER MOD Set 4.1: A 11 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 4.2: A 26 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 9 LYS NZ :NH3+ -123:sc= -0.0937 (180deg=-0.859) USER MOD Single : A 10 MET CE :methyl 148:sc= -1.88 (180deg=-3.6!) USER MOD Single : A 15 THR OG1 : rot -170:sc= 0.199 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.161 (180deg=-0.672) USER MOD Single : A 20 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.05) USER MOD Single : A 24 SER OG : rot -143:sc= 0.527 USER MOD Single : A 25 HIS : no HE2:sc= -2.08 X(o=-2.1,f=-2.1) USER MOD Single : A 27 MET CE :methyl -156:sc= -3.2! (180deg=-5.3!) USER MOD Single : A 28 SER OG : rot 118:sc= 1.26 USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.793 (180deg=-1.08) USER MOD Single : A 30 GLN : amide:sc= -2.69 X(o=-2.7,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -91:sc= -0.124 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc=-0.00159 (180deg=-0.0702) USER MOD Single : A 48 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-3.2) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-0.573) USER MOD Single : A 58 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=-0.012) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 68 MET CE :methyl -122:sc= -0.778 (180deg=-3.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.912 -19.718 -2.655 1.00 0.00 N ATOM 118 CA LYS A 9 -3.647 -20.549 -1.709 1.00 0.00 C ATOM 119 C LYS A 9 -2.701 -21.465 -0.940 1.00 0.00 C ATOM 120 O LYS A 9 -1.567 -21.695 -1.360 1.00 0.00 O ATOM 121 CB LYS A 9 -4.699 -21.384 -2.443 1.00 0.00 C ATOM 122 CG LYS A 9 -4.107 -22.393 -3.411 1.00 0.00 C ATOM 123 CD LYS A 9 -5.164 -23.353 -3.932 1.00 0.00 C ATOM 124 CE LYS A 9 -6.259 -22.618 -4.690 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.400 -22.256 -3.805 1.00 0.00 N ATOM 0 HA LYS A 9 -4.146 -19.892 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.309 -21.911 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.365 -20.716 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.646 -21.868 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.317 -22.955 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.698 -24.089 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.602 -23.901 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.846 -21.714 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.618 -23.244 -5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.278 -22.663 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.231 -22.630 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.490 -21.221 -3.760 1.00 0.00 H new ATOM 139 N MET A 10 -3.175 -21.987 0.186 1.00 0.00 N ATOM 140 CA MET A 10 -2.371 -22.881 1.011 1.00 0.00 C ATOM 141 C MET A 10 -3.223 -24.015 1.573 1.00 0.00 C ATOM 142 O MET A 10 -4.443 -23.893 1.680 1.00 0.00 O ATOM 143 CB MET A 10 -1.717 -22.104 2.155 1.00 0.00 C ATOM 144 CG MET A 10 -2.640 -21.084 2.802 1.00 0.00 C ATOM 145 SD MET A 10 -2.183 -20.716 4.507 1.00 0.00 S ATOM 146 CE MET A 10 -3.381 -21.705 5.399 1.00 0.00 C ATOM 0 H MET A 10 -4.111 -21.807 0.548 1.00 0.00 H new ATOM 0 HA MET A 10 -1.592 -23.312 0.382 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.378 -22.808 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.832 -21.593 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.623 -20.163 2.219 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.663 -21.459 2.777 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.942 -22.053 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.263 -21.101 5.615 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.669 -22.563 4.792 1.00 0.00 H new ATOM 156 N MET A 11 -2.572 -25.118 1.930 1.00 0.00 N ATOM 157 CA MET A 11 -3.271 -26.273 2.482 1.00 0.00 C ATOM 158 C MET A 11 -3.049 -26.373 3.988 1.00 0.00 C ATOM 159 O MET A 11 -1.971 -26.052 4.489 1.00 0.00 O ATOM 160 CB MET A 11 -2.797 -27.557 1.798 1.00 0.00 C ATOM 161 CG MET A 11 -3.850 -28.652 1.767 1.00 0.00 C ATOM 162 SD MET A 11 -3.230 -30.192 1.063 1.00 0.00 S ATOM 163 CE MET A 11 -3.762 -30.025 -0.639 1.00 0.00 C ATOM 0 H MET A 11 -1.562 -25.236 1.847 1.00 0.00 H new ATOM 0 HA MET A 11 -4.338 -26.144 2.297 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.495 -27.325 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.912 -27.929 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.206 -28.838 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.707 -28.310 1.186 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.421 -30.886 -1.213 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.850 -29.972 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.339 -29.115 -1.065 1.00 0.00 H new ATOM 173 N ILE A 12 -4.076 -26.821 4.704 1.00 0.00 N ATOM 174 CA ILE A 12 -3.992 -26.964 6.152 1.00 0.00 C ATOM 175 C ILE A 12 -4.796 -28.167 6.632 1.00 0.00 C ATOM 176 O ILE A 12 -5.995 -28.269 6.374 1.00 0.00 O ATOM 177 CB ILE A 12 -4.498 -25.701 6.873 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.831 -25.246 6.275 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.464 -24.589 6.782 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.817 -24.747 7.308 1.00 0.00 C ATOM 0 H ILE A 12 -4.975 -27.091 4.305 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.940 -27.113 6.394 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.655 -25.939 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.643 -24.453 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.278 -26.077 5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.836 -23.703 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.535 -24.917 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.278 -24.350 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.739 -24.441 6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.034 -25.544 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.390 -23.895 7.837 1.00 0.00 H new ATOM 192 N ALA A 13 -4.128 -29.076 7.335 1.00 0.00 N ATOM 193 CA ALA A 13 -4.781 -30.271 7.856 1.00 0.00 C ATOM 194 C ALA A 13 -5.216 -30.071 9.304 1.00 0.00 C ATOM 195 O ALA A 13 -4.395 -29.782 10.175 1.00 0.00 O ATOM 196 CB ALA A 13 -3.854 -31.471 7.742 1.00 0.00 C ATOM 0 H ALA A 13 -3.135 -29.008 7.557 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.673 -30.458 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.355 -32.356 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.597 -31.634 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.945 -31.284 8.314 1.00 0.00 H new ATOM 202 N PHE A 14 -6.511 -30.228 9.555 1.00 0.00 N ATOM 203 CA PHE A 14 -7.055 -30.063 10.898 1.00 0.00 C ATOM 204 C PHE A 14 -7.773 -31.331 11.353 1.00 0.00 C ATOM 205 O PHE A 14 -8.512 -31.949 10.586 1.00 0.00 O ATOM 206 CB PHE A 14 -8.018 -28.875 10.939 1.00 0.00 C ATOM 207 CG PHE A 14 -9.465 -29.277 10.983 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.166 -29.520 9.813 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.123 -29.412 12.195 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.497 -29.890 9.851 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.455 -29.781 12.239 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.142 -30.021 11.065 1.00 0.00 C ATOM 0 H PHE A 14 -7.204 -30.469 8.846 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.225 -29.872 11.579 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.792 -28.265 11.813 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.849 -28.250 10.062 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.667 -29.419 8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.590 -29.227 13.116 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.032 -30.077 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.957 -29.881 13.190 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.182 -30.311 11.096 1.00 0.00 H new ATOM 222 N THR A 15 -7.550 -31.713 12.607 1.00 0.00 N ATOM 223 CA THR A 15 -8.174 -32.906 13.164 1.00 0.00 C ATOM 224 C THR A 15 -9.533 -32.583 13.774 1.00 0.00 C ATOM 225 O THR A 15 -9.622 -31.874 14.777 1.00 0.00 O ATOM 226 CB THR A 15 -7.283 -33.555 14.241 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.943 -33.688 13.752 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.821 -34.920 14.638 1.00 0.00 C ATOM 0 H THR A 15 -6.942 -31.213 13.256 1.00 0.00 H new ATOM 0 HA THR A 15 -8.306 -33.607 12.340 1.00 0.00 H new ATOM 0 HB THR A 15 -7.287 -32.912 15.121 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.422 -34.239 14.372 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.175 -35.358 15.399 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.830 -34.812 15.036 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.844 -35.570 13.764 1.00 0.00 H new ATOM 236 N CYS A 16 -10.590 -33.107 13.162 1.00 0.00 N ATOM 237 CA CYS A 16 -11.946 -32.874 13.645 1.00 0.00 C ATOM 238 C CYS A 16 -12.152 -33.508 15.017 1.00 0.00 C ATOM 239 O CYS A 16 -12.201 -34.732 15.146 1.00 0.00 O ATOM 240 CB CYS A 16 -12.966 -33.433 12.653 1.00 0.00 C ATOM 241 SG CYS A 16 -14.628 -32.745 12.835 1.00 0.00 S ATOM 0 H CYS A 16 -10.534 -33.696 12.331 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.092 -31.798 13.737 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.614 -33.241 11.640 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.017 -34.515 12.773 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.310 -32.965 11.750 1.00 0.00 H new ATOM 246 N LYS A 17 -12.269 -32.669 16.040 1.00 0.00 N ATOM 247 CA LYS A 17 -12.469 -33.146 17.403 1.00 0.00 C ATOM 248 C LYS A 17 -13.873 -33.716 17.580 1.00 0.00 C ATOM 249 O LYS A 17 -14.174 -34.350 18.591 1.00 0.00 O ATOM 250 CB LYS A 17 -12.239 -32.010 18.402 1.00 0.00 C ATOM 251 CG LYS A 17 -10.883 -31.339 18.259 1.00 0.00 C ATOM 252 CD LYS A 17 -10.847 -29.997 18.970 1.00 0.00 C ATOM 253 CE LYS A 17 -11.587 -28.928 18.180 1.00 0.00 C ATOM 254 NZ LYS A 17 -11.394 -27.573 18.766 1.00 0.00 N ATOM 0 H LYS A 17 -12.229 -31.654 15.951 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.747 -33.940 17.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.021 -31.261 18.274 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.336 -32.402 19.414 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.109 -31.989 18.668 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.655 -31.198 17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.295 -30.096 19.959 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.812 -29.690 19.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.236 -28.931 17.148 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.651 -29.165 18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.914 -26.873 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.752 -27.563 19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.381 -27.336 18.766 1.00 0.00 H new ATOM 268 N LYS A 18 -14.728 -33.487 16.589 1.00 0.00 N ATOM 269 CA LYS A 18 -16.100 -33.980 16.633 1.00 0.00 C ATOM 270 C LYS A 18 -16.142 -35.491 16.433 1.00 0.00 C ATOM 271 O LYS A 18 -16.655 -36.225 17.279 1.00 0.00 O ATOM 272 CB LYS A 18 -16.946 -33.289 15.561 1.00 0.00 C ATOM 273 CG LYS A 18 -16.834 -31.774 15.580 1.00 0.00 C ATOM 274 CD LYS A 18 -18.111 -31.115 15.087 1.00 0.00 C ATOM 275 CE LYS A 18 -18.080 -29.609 15.304 1.00 0.00 C ATOM 276 NZ LYS A 18 -17.835 -29.259 16.730 1.00 0.00 N ATOM 0 H LYS A 18 -14.495 -32.963 15.745 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.511 -33.750 17.616 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.644 -33.655 14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.990 -33.569 15.698 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.617 -31.437 16.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.998 -31.462 14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.246 -31.328 14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.967 -31.542 15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.300 -29.169 14.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.027 -29.176 14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.149 -28.283 16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.366 -29.910 17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.819 -29.339 16.937 1.00 0.00 H new ATOM 290 N CYS A 19 -15.599 -35.950 15.312 1.00 0.00 N ATOM 291 CA CYS A 19 -15.573 -37.375 15.002 1.00 0.00 C ATOM 292 C CYS A 19 -14.141 -37.899 14.966 1.00 0.00 C ATOM 293 O CYS A 19 -13.867 -38.944 14.378 1.00 0.00 O ATOM 294 CB CYS A 19 -16.259 -37.638 13.660 1.00 0.00 C ATOM 295 SG CYS A 19 -15.664 -36.594 12.310 1.00 0.00 S ATOM 0 H CYS A 19 -15.170 -35.356 14.602 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.113 -37.902 15.788 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.113 -38.683 13.388 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.332 -37.486 13.777 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.452 -35.569 12.174 1.00 0.00 H new ATOM 300 N ASN A 20 -13.233 -37.164 15.599 1.00 0.00 N ATOM 301 CA ASN A 20 -11.828 -37.554 15.639 1.00 0.00 C ATOM 302 C ASN A 20 -11.321 -37.904 14.243 1.00 0.00 C ATOM 303 O ASN A 20 -10.468 -38.777 14.080 1.00 0.00 O ATOM 304 CB ASN A 20 -11.633 -38.746 16.578 1.00 0.00 C ATOM 305 CG ASN A 20 -10.224 -38.821 17.132 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.391 -39.583 16.640 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.950 -38.029 18.162 1.00 0.00 N ATOM 0 H ASN A 20 -13.444 -36.296 16.091 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.253 -36.707 16.014 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.342 -38.675 17.403 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.859 -39.668 16.042 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.018 -38.036 18.577 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.671 -37.413 18.538 1.00 0.00 H new ATOM 314 N THR A 21 -11.852 -37.216 13.237 1.00 0.00 N ATOM 315 CA THR A 21 -11.455 -37.454 11.855 1.00 0.00 C ATOM 316 C THR A 21 -10.615 -36.301 11.318 1.00 0.00 C ATOM 317 O THR A 21 -11.031 -35.143 11.365 1.00 0.00 O ATOM 318 CB THR A 21 -12.681 -37.649 10.943 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.521 -38.685 11.466 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.253 -38.002 9.527 1.00 0.00 C ATOM 0 H THR A 21 -12.558 -36.489 13.354 1.00 0.00 H new ATOM 0 HA THR A 21 -10.860 -38.367 11.851 1.00 0.00 H new ATOM 0 HB THR A 21 -13.236 -36.712 10.914 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.346 -38.291 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.136 -38.135 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.639 -37.198 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.676 -38.927 9.541 1.00 0.00 H new ATOM 328 N ARG A 22 -9.432 -36.624 10.806 1.00 0.00 N ATOM 329 CA ARG A 22 -8.533 -35.614 10.260 1.00 0.00 C ATOM 330 C ARG A 22 -8.702 -35.496 8.749 1.00 0.00 C ATOM 331 O ARG A 22 -8.853 -36.499 8.051 1.00 0.00 O ATOM 332 CB ARG A 22 -7.081 -35.958 10.597 1.00 0.00 C ATOM 333 CG ARG A 22 -6.072 -34.987 10.005 1.00 0.00 C ATOM 334 CD ARG A 22 -4.652 -35.335 10.422 1.00 0.00 C ATOM 335 NE ARG A 22 -4.280 -34.700 11.683 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.283 -35.121 12.453 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.560 -36.172 12.091 1.00 0.00 N ATOM 338 NH2 ARG A 22 -3.005 -34.489 13.586 1.00 0.00 N ATOM 0 H ARG A 22 -9.073 -37.578 10.758 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.786 -34.655 10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.963 -35.976 11.680 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.861 -36.963 10.236 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.147 -35.001 8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.309 -33.973 10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.558 -36.417 10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.958 -35.024 9.641 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.816 -33.888 11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.769 -36.659 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.795 -36.493 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.557 -33.679 13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.239 -34.813 14.176 1.00 0.00 H new ATOM 352 N SER A 23 -8.676 -34.265 8.250 1.00 0.00 N ATOM 353 CA SER A 23 -8.831 -34.015 6.821 1.00 0.00 C ATOM 354 C SER A 23 -8.131 -32.721 6.417 1.00 0.00 C ATOM 355 O SER A 23 -8.108 -31.751 7.175 1.00 0.00 O ATOM 356 CB SER A 23 -10.314 -33.942 6.453 1.00 0.00 C ATOM 357 OG SER A 23 -11.079 -34.843 7.234 1.00 0.00 O ATOM 0 H SER A 23 -8.549 -33.424 8.814 1.00 0.00 H new ATOM 0 HA SER A 23 -8.370 -34.841 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.679 -32.926 6.602 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.441 -34.174 5.396 1.00 0.00 H new ATOM 0 HG SER A 23 -11.511 -34.356 7.966 1.00 0.00 H new ATOM 363 N SER A 24 -7.560 -32.714 5.217 1.00 0.00 N ATOM 364 CA SER A 24 -6.855 -31.542 4.712 1.00 0.00 C ATOM 365 C SER A 24 -7.757 -30.718 3.798 1.00 0.00 C ATOM 366 O SER A 24 -8.593 -31.262 3.076 1.00 0.00 O ATOM 367 CB SER A 24 -5.594 -31.965 3.956 1.00 0.00 C ATOM 368 OG SER A 24 -4.741 -30.857 3.727 1.00 0.00 O ATOM 0 H SER A 24 -7.572 -33.507 4.576 1.00 0.00 H new ATOM 0 HA SER A 24 -6.569 -30.925 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.062 -32.726 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.872 -32.417 3.004 1.00 0.00 H new ATOM 0 HG SER A 24 -4.325 -30.942 2.844 1.00 0.00 H new ATOM 374 N HIS A 25 -7.582 -29.401 3.836 1.00 0.00 N ATOM 375 CA HIS A 25 -8.380 -28.499 3.011 1.00 0.00 C ATOM 376 C HIS A 25 -7.546 -27.309 2.545 1.00 0.00 C ATOM 377 O HIS A 25 -6.801 -26.715 3.325 1.00 0.00 O ATOM 378 CB HIS A 25 -9.601 -28.008 3.789 1.00 0.00 C ATOM 379 CG HIS A 25 -10.191 -29.045 4.695 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.357 -29.722 4.405 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.769 -29.522 5.889 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.627 -30.568 5.382 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.678 -30.467 6.295 1.00 0.00 N ATOM 0 H HIS A 25 -6.895 -28.934 4.429 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.716 -29.051 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.318 -27.138 4.382 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.363 -27.678 3.083 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.923 -29.590 3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.882 -29.216 6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.479 -31.230 5.427 1.00 0.00 H new ATOM 391 N THR A 26 -7.676 -26.966 1.267 1.00 0.00 N ATOM 392 CA THR A 26 -6.935 -25.849 0.697 1.00 0.00 C ATOM 393 C THR A 26 -7.843 -24.648 0.462 1.00 0.00 C ATOM 394 O THR A 26 -8.939 -24.784 -0.082 1.00 0.00 O ATOM 395 CB THR A 26 -6.266 -26.240 -0.635 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.944 -27.636 -0.630 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.003 -25.425 -0.866 1.00 0.00 C ATOM 0 H THR A 26 -8.288 -27.446 0.607 1.00 0.00 H new ATOM 0 HA THR A 26 -6.163 -25.581 1.419 1.00 0.00 H new ATOM 0 HB THR A 26 -6.967 -26.031 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.521 -27.877 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.548 -25.719 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.255 -24.365 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.299 -25.606 -0.054 1.00 0.00 H new ATOM 405 N MET A 27 -7.381 -23.472 0.875 1.00 0.00 N ATOM 406 CA MET A 27 -8.154 -22.247 0.708 1.00 0.00 C ATOM 407 C MET A 27 -7.238 -21.064 0.408 1.00 0.00 C ATOM 408 O MET A 27 -6.029 -21.132 0.629 1.00 0.00 O ATOM 409 CB MET A 27 -8.979 -21.962 1.964 1.00 0.00 C ATOM 410 CG MET A 27 -8.134 -21.617 3.180 1.00 0.00 C ATOM 411 SD MET A 27 -7.568 -23.080 4.070 1.00 0.00 S ATOM 412 CE MET A 27 -9.131 -23.803 4.563 1.00 0.00 C ATOM 0 H MET A 27 -6.476 -23.342 1.327 1.00 0.00 H new ATOM 0 HA MET A 27 -8.829 -22.386 -0.136 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.662 -21.138 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.591 -22.834 2.193 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.270 -21.032 2.863 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.715 -20.988 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.980 -24.432 5.440 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.839 -23.010 4.803 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.526 -24.408 3.747 1.00 0.00 H new ATOM 422 N SER A 28 -7.822 -19.982 -0.096 1.00 0.00 N ATOM 423 CA SER A 28 -7.057 -18.786 -0.430 1.00 0.00 C ATOM 424 C SER A 28 -6.333 -18.243 0.799 1.00 0.00 C ATOM 425 O SER A 28 -6.939 -18.039 1.851 1.00 0.00 O ATOM 426 CB SER A 28 -7.979 -17.711 -1.009 1.00 0.00 C ATOM 427 OG SER A 28 -7.926 -17.703 -2.425 1.00 0.00 O ATOM 0 H SER A 28 -8.822 -19.909 -0.282 1.00 0.00 H new ATOM 0 HA SER A 28 -6.312 -19.058 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.003 -17.891 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.688 -16.733 -0.625 1.00 0.00 H new ATOM 0 HG SER A 28 -8.810 -17.920 -2.787 1.00 0.00 H new ATOM 433 N LYS A 29 -5.033 -18.012 0.658 1.00 0.00 N ATOM 434 CA LYS A 29 -4.224 -17.492 1.754 1.00 0.00 C ATOM 435 C LYS A 29 -4.678 -16.091 2.148 1.00 0.00 C ATOM 436 O LYS A 29 -4.647 -15.726 3.323 1.00 0.00 O ATOM 437 CB LYS A 29 -2.746 -17.468 1.358 1.00 0.00 C ATOM 438 CG LYS A 29 -1.844 -16.849 2.411 1.00 0.00 C ATOM 439 CD LYS A 29 -1.447 -15.430 2.041 1.00 0.00 C ATOM 440 CE LYS A 29 -0.185 -15.407 1.192 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.374 -16.118 -0.102 1.00 0.00 N ATOM 0 H LYS A 29 -4.516 -18.177 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.353 -18.152 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.415 -18.488 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.637 -16.913 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.356 -16.845 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.949 -17.459 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.262 -14.954 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.287 -14.848 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.104 -14.374 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.633 -15.870 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.427 -15.910 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.423 -17.143 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.258 -15.798 -0.548 1.00 0.00 H new ATOM 455 N GLN A 30 -5.101 -15.310 1.158 1.00 0.00 N ATOM 456 CA GLN A 30 -5.562 -13.949 1.403 1.00 0.00 C ATOM 457 C GLN A 30 -6.874 -13.951 2.181 1.00 0.00 C ATOM 458 O GLN A 30 -7.055 -13.168 3.113 1.00 0.00 O ATOM 459 CB GLN A 30 -5.741 -13.203 0.080 1.00 0.00 C ATOM 460 CG GLN A 30 -6.454 -11.868 0.226 1.00 0.00 C ATOM 461 CD GLN A 30 -5.934 -11.054 1.395 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.768 -11.165 1.773 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.799 -10.229 1.973 1.00 0.00 N ATOM 0 H GLN A 30 -5.134 -15.597 0.180 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.807 -13.438 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.762 -13.035 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.304 -13.833 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.335 -11.294 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.522 -12.043 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.756 -10.169 1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.506 -9.655 2.764 1.00 0.00 H new ATOM 472 N ALA A 31 -7.786 -14.835 1.792 1.00 0.00 N ATOM 473 CA ALA A 31 -9.081 -14.940 2.454 1.00 0.00 C ATOM 474 C ALA A 31 -8.941 -15.566 3.837 1.00 0.00 C ATOM 475 O ALA A 31 -9.724 -15.277 4.742 1.00 0.00 O ATOM 476 CB ALA A 31 -10.046 -15.749 1.601 1.00 0.00 C ATOM 0 H ALA A 31 -7.652 -15.490 1.021 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.480 -13.933 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.009 -15.819 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.178 -15.258 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.644 -16.750 1.446 1.00 0.00 H new ATOM 482 N TYR A 32 -7.940 -16.425 3.994 1.00 0.00 N ATOM 483 CA TYR A 32 -7.699 -17.094 5.267 1.00 0.00 C ATOM 484 C TYR A 32 -6.975 -16.170 6.241 1.00 0.00 C ATOM 485 O TYR A 32 -7.372 -16.037 7.398 1.00 0.00 O ATOM 486 CB TYR A 32 -6.880 -18.368 5.050 1.00 0.00 C ATOM 487 CG TYR A 32 -6.470 -19.050 6.336 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.304 -18.683 6.998 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.246 -20.061 6.888 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.925 -19.303 8.172 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.875 -20.686 8.063 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.714 -20.304 8.701 1.00 0.00 C ATOM 493 OH TYR A 32 -5.340 -20.925 9.871 1.00 0.00 O ATOM 0 H TYR A 32 -7.282 -16.674 3.255 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.665 -17.359 5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.462 -19.066 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.986 -18.122 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.684 -17.900 6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.155 -20.364 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.016 -19.006 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.491 -21.469 8.479 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.005 -21.605 10.107 1.00 0.00 H new ATOM 503 N GLU A 33 -5.911 -15.533 5.762 1.00 0.00 N ATOM 504 CA GLU A 33 -5.131 -14.621 6.590 1.00 0.00 C ATOM 505 C GLU A 33 -5.933 -13.366 6.921 1.00 0.00 C ATOM 506 O GLU A 33 -5.854 -12.839 8.031 1.00 0.00 O ATOM 507 CB GLU A 33 -3.832 -14.236 5.879 1.00 0.00 C ATOM 508 CG GLU A 33 -2.746 -15.294 5.982 1.00 0.00 C ATOM 509 CD GLU A 33 -1.351 -14.712 5.854 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.092 -13.655 6.466 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.520 -15.313 5.142 1.00 0.00 O ATOM 0 H GLU A 33 -5.570 -15.632 4.806 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.889 -15.133 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.045 -14.048 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.459 -13.303 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.835 -15.809 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.897 -16.041 5.203 1.00 0.00 H new ATOM 518 N LYS A 34 -6.706 -12.891 5.950 1.00 0.00 N ATOM 519 CA LYS A 34 -7.524 -11.698 6.136 1.00 0.00 C ATOM 520 C LYS A 34 -8.937 -11.921 5.608 1.00 0.00 C ATOM 521 O LYS A 34 -9.322 -11.362 4.582 1.00 0.00 O ATOM 522 CB LYS A 34 -6.886 -10.501 5.427 1.00 0.00 C ATOM 523 CG LYS A 34 -5.447 -10.244 5.842 1.00 0.00 C ATOM 524 CD LYS A 34 -5.367 -9.667 7.246 1.00 0.00 C ATOM 525 CE LYS A 34 -4.098 -10.110 7.958 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.210 -9.957 9.436 1.00 0.00 N ATOM 0 H LYS A 34 -6.783 -13.314 5.025 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.582 -11.490 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.921 -10.666 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.479 -9.610 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.882 -11.175 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.981 -9.555 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.396 -8.579 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.237 -9.983 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.890 -11.152 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.254 -9.524 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.259 -9.886 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.749 -9.095 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.700 -10.783 9.834 1.00 0.00 H new ATOM 540 N GLY A 35 -9.708 -12.740 6.317 1.00 0.00 N ATOM 541 CA GLY A 35 -11.070 -13.020 5.905 1.00 0.00 C ATOM 542 C GLY A 35 -11.643 -14.246 6.589 1.00 0.00 C ATOM 543 O GLY A 35 -11.029 -14.802 7.500 1.00 0.00 O ATOM 0 H GLY A 35 -9.413 -13.215 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.698 -12.157 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.097 -13.164 4.825 1.00 0.00 H new ATOM 547 N THR A 36 -12.825 -14.668 6.150 1.00 0.00 N ATOM 548 CA THR A 36 -13.482 -15.834 6.728 1.00 0.00 C ATOM 549 C THR A 36 -13.369 -17.042 5.805 1.00 0.00 C ATOM 550 O THR A 36 -13.575 -16.934 4.596 1.00 0.00 O ATOM 551 CB THR A 36 -14.970 -15.557 7.013 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.105 -14.368 7.799 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.609 -16.729 7.742 1.00 0.00 C ATOM 0 H THR A 36 -13.347 -14.220 5.397 1.00 0.00 H new ATOM 0 HA THR A 36 -12.974 -16.049 7.668 1.00 0.00 H new ATOM 0 HB THR A 36 -15.481 -15.421 6.060 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.099 -14.602 8.751 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.660 -16.510 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.531 -17.626 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.095 -16.892 8.689 1.00 0.00 H new ATOM 561 N VAL A 37 -13.041 -18.194 6.382 1.00 0.00 N ATOM 562 CA VAL A 37 -12.903 -19.423 5.611 1.00 0.00 C ATOM 563 C VAL A 37 -13.660 -20.572 6.268 1.00 0.00 C ATOM 564 O VAL A 37 -13.601 -20.753 7.485 1.00 0.00 O ATOM 565 CB VAL A 37 -11.424 -19.822 5.451 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.730 -18.910 4.452 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.716 -19.790 6.796 1.00 0.00 C ATOM 0 H VAL A 37 -12.866 -18.301 7.381 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.328 -19.228 4.626 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.380 -20.841 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.686 -19.207 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.224 -18.989 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.782 -17.879 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.672 -20.075 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.768 -18.783 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.199 -20.489 7.478 1.00 0.00 H new ATOM 577 N LEU A 38 -14.370 -21.346 5.456 1.00 0.00 N ATOM 578 CA LEU A 38 -15.140 -22.480 5.958 1.00 0.00 C ATOM 579 C LEU A 38 -14.690 -23.779 5.296 1.00 0.00 C ATOM 580 O LEU A 38 -14.378 -23.804 4.105 1.00 0.00 O ATOM 581 CB LEU A 38 -16.633 -22.258 5.710 1.00 0.00 C ATOM 582 CG LEU A 38 -17.343 -21.319 6.686 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.449 -20.551 5.979 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.903 -22.100 7.866 1.00 0.00 C ATOM 0 H LEU A 38 -14.429 -21.210 4.447 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.965 -22.561 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.759 -21.864 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.134 -23.226 5.739 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.615 -20.601 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.943 -19.888 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.021 -19.961 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.176 -21.253 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.405 -21.416 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.617 -22.841 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.089 -22.603 8.388 1.00 0.00 H new ATOM 596 N ILE A 39 -14.662 -24.855 6.075 1.00 0.00 N ATOM 597 CA ILE A 39 -14.255 -26.157 5.564 1.00 0.00 C ATOM 598 C ILE A 39 -15.161 -27.264 6.093 1.00 0.00 C ATOM 599 O ILE A 39 -15.506 -27.285 7.274 1.00 0.00 O ATOM 600 CB ILE A 39 -12.796 -26.479 5.940 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.572 -26.255 7.437 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.838 -25.626 5.122 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.502 -27.147 8.027 1.00 0.00 C ATOM 0 H ILE A 39 -14.917 -24.850 7.063 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.340 -26.110 4.478 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.600 -27.527 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.298 -25.213 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.509 -26.426 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.811 -25.865 5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.985 -25.830 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.031 -24.571 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.397 -26.934 9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.784 -28.191 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.554 -26.959 7.524 1.00 0.00 H new ATOM 615 N SER A 40 -15.540 -28.183 5.212 1.00 0.00 N ATOM 616 CA SER A 40 -16.407 -29.293 5.590 1.00 0.00 C ATOM 617 C SER A 40 -15.594 -30.562 5.826 1.00 0.00 C ATOM 618 O SER A 40 -14.706 -30.898 5.042 1.00 0.00 O ATOM 619 CB SER A 40 -17.457 -29.540 4.504 1.00 0.00 C ATOM 620 OG SER A 40 -17.079 -30.620 3.667 1.00 0.00 O ATOM 0 H SER A 40 -15.261 -28.181 4.231 1.00 0.00 H new ATOM 0 HA SER A 40 -16.911 -29.028 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.420 -29.754 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.584 -28.638 3.905 1.00 0.00 H new ATOM 0 HG SER A 40 -17.766 -30.759 2.982 1.00 0.00 H new ATOM 626 N CYS A 41 -15.904 -31.263 6.911 1.00 0.00 N ATOM 627 CA CYS A 41 -15.203 -32.495 7.252 1.00 0.00 C ATOM 628 C CYS A 41 -15.841 -33.694 6.558 1.00 0.00 C ATOM 629 O CYS A 41 -17.025 -33.983 6.728 1.00 0.00 O ATOM 630 CB CYS A 41 -15.206 -32.706 8.767 1.00 0.00 C ATOM 631 SG CYS A 41 -14.561 -34.312 9.290 1.00 0.00 S ATOM 0 H CYS A 41 -16.637 -30.999 7.570 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.173 -32.405 6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.614 -31.919 9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.226 -32.598 9.136 1.00 0.00 H new ATOM 0 HG CYS A 41 -15.011 -34.595 10.476 1.00 0.00 H new ATOM 636 N PRO A 42 -15.039 -34.409 5.755 1.00 0.00 N ATOM 637 CA PRO A 42 -15.504 -35.588 5.019 1.00 0.00 C ATOM 638 C PRO A 42 -15.799 -36.768 5.939 1.00 0.00 C ATOM 639 O PRO A 42 -15.107 -37.786 5.900 1.00 0.00 O ATOM 640 CB PRO A 42 -14.330 -35.913 4.092 1.00 0.00 C ATOM 641 CG PRO A 42 -13.135 -35.350 4.782 1.00 0.00 C ATOM 642 CD PRO A 42 -13.616 -34.123 5.506 1.00 0.00 C ATOM 0 HA PRO A 42 -16.440 -35.397 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.230 -36.988 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.467 -35.465 3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.710 -36.073 5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.353 -35.099 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.069 -33.965 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.486 -33.224 4.903 1.00 0.00 H new ATOM 650 N HIS A 43 -16.830 -36.624 6.766 1.00 0.00 N ATOM 651 CA HIS A 43 -17.217 -37.680 7.695 1.00 0.00 C ATOM 652 C HIS A 43 -18.503 -37.312 8.429 1.00 0.00 C ATOM 653 O HIS A 43 -19.548 -37.927 8.215 1.00 0.00 O ATOM 654 CB HIS A 43 -16.096 -37.937 8.703 1.00 0.00 C ATOM 655 CG HIS A 43 -16.196 -39.267 9.384 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.789 -40.446 8.795 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.658 -39.601 10.611 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.999 -41.448 9.630 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.525 -40.962 10.740 1.00 0.00 N ATOM 0 H HIS A 43 -17.412 -35.787 6.812 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.394 -38.589 7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.136 -37.872 8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.109 -37.150 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.057 -38.923 11.351 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.778 -42.488 9.438 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.789 -41.509 11.560 1.00 0.00 H new ATOM 667 N CYS A 44 -18.418 -36.308 9.295 1.00 0.00 N ATOM 668 CA CYS A 44 -19.575 -35.860 10.062 1.00 0.00 C ATOM 669 C CYS A 44 -20.483 -34.979 9.211 1.00 0.00 C ATOM 670 O CYS A 44 -21.601 -34.651 9.610 1.00 0.00 O ATOM 671 CB CYS A 44 -19.122 -35.095 11.306 1.00 0.00 C ATOM 672 SG CYS A 44 -18.052 -33.681 10.955 1.00 0.00 S ATOM 0 H CYS A 44 -17.560 -35.789 9.483 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.139 -36.740 10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -20.003 -34.745 11.845 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.594 -35.781 11.969 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.939 -34.099 10.429 1.00 0.00 H new ATOM 677 N LYS A 45 -19.995 -34.595 8.036 1.00 0.00 N ATOM 678 CA LYS A 45 -20.762 -33.751 7.127 1.00 0.00 C ATOM 679 C LYS A 45 -21.177 -32.452 7.810 1.00 0.00 C ATOM 680 O LYS A 45 -22.300 -32.328 8.298 1.00 0.00 O ATOM 681 CB LYS A 45 -22.002 -34.497 6.629 1.00 0.00 C ATOM 682 CG LYS A 45 -21.689 -35.839 5.989 1.00 0.00 C ATOM 683 CD LYS A 45 -22.956 -36.568 5.574 1.00 0.00 C ATOM 684 CE LYS A 45 -23.316 -36.278 4.125 1.00 0.00 C ATOM 685 NZ LYS A 45 -22.415 -36.991 3.177 1.00 0.00 N ATOM 0 H LYS A 45 -19.071 -34.855 7.691 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.127 -33.506 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.682 -34.653 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.525 -33.872 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.053 -35.688 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.127 -36.455 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.820 -37.641 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.779 -36.267 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.348 -36.577 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.258 -35.205 3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.834 -36.980 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.490 -36.516 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.291 -37.975 3.489 1.00 0.00 H new ATOM 699 N VAL A 46 -20.264 -31.487 7.841 1.00 0.00 N ATOM 700 CA VAL A 46 -20.536 -30.196 8.462 1.00 0.00 C ATOM 701 C VAL A 46 -19.368 -29.236 8.271 1.00 0.00 C ATOM 702 O VAL A 46 -18.206 -29.643 8.296 1.00 0.00 O ATOM 703 CB VAL A 46 -20.820 -30.348 9.969 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.537 -30.652 10.726 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.486 -29.093 10.514 1.00 0.00 C ATOM 0 H VAL A 46 -19.329 -31.575 7.443 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.420 -29.789 7.971 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.503 -31.185 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.757 -30.756 11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.105 -31.581 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.827 -29.838 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.680 -29.217 11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.829 -28.237 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.428 -28.925 9.991 1.00 0.00 H new ATOM 715 N ARG A 47 -19.683 -27.960 8.078 1.00 0.00 N ATOM 716 CA ARG A 47 -18.659 -26.941 7.882 1.00 0.00 C ATOM 717 C ARG A 47 -18.278 -26.290 9.208 1.00 0.00 C ATOM 718 O ARG A 47 -19.132 -26.050 10.062 1.00 0.00 O ATOM 719 CB ARG A 47 -19.152 -25.875 6.901 1.00 0.00 C ATOM 720 CG ARG A 47 -19.178 -26.343 5.455 1.00 0.00 C ATOM 721 CD ARG A 47 -20.342 -27.285 5.195 1.00 0.00 C ATOM 722 NE ARG A 47 -21.136 -26.869 4.042 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.979 -27.672 3.402 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.137 -28.927 3.801 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.667 -27.220 2.361 1.00 0.00 N ATOM 0 H ARG A 47 -20.640 -27.607 8.053 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.775 -27.425 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.155 -25.563 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.510 -24.997 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.252 -25.480 4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.241 -26.847 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.962 -28.293 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.979 -27.326 6.078 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.038 -25.910 3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.611 -29.278 4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.785 -29.541 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.549 -26.255 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.314 -27.837 1.870 1.00 0.00 H new ATOM 739 N HIS A 48 -16.990 -26.006 9.373 1.00 0.00 N ATOM 740 CA HIS A 48 -16.495 -25.382 10.595 1.00 0.00 C ATOM 741 C HIS A 48 -15.649 -24.154 10.275 1.00 0.00 C ATOM 742 O HIS A 48 -15.009 -24.085 9.224 1.00 0.00 O ATOM 743 CB HIS A 48 -15.674 -26.384 11.407 1.00 0.00 C ATOM 744 CG HIS A 48 -15.558 -27.729 10.759 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.456 -28.751 10.981 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.642 -28.217 9.889 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.098 -29.810 10.277 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.000 -29.512 9.605 1.00 0.00 N ATOM 0 H HIS A 48 -16.270 -26.198 8.676 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.355 -25.064 11.185 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.675 -25.979 11.565 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.129 -26.502 12.390 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.270 -28.698 11.593 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.789 -27.687 9.492 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.615 -30.758 10.255 1.00 0.00 H new ATOM 756 N LEU A 49 -15.651 -23.186 11.185 1.00 0.00 N ATOM 757 CA LEU A 49 -14.884 -21.959 10.999 1.00 0.00 C ATOM 758 C LEU A 49 -13.436 -22.150 11.441 1.00 0.00 C ATOM 759 O LEU A 49 -13.171 -22.714 12.502 1.00 0.00 O ATOM 760 CB LEU A 49 -15.522 -20.812 11.783 1.00 0.00 C ATOM 761 CG LEU A 49 -15.160 -19.400 11.321 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.516 -19.211 9.854 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.865 -18.360 12.181 1.00 0.00 C ATOM 0 H LEU A 49 -16.175 -23.227 12.059 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.891 -21.712 9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.605 -20.923 11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.239 -20.913 12.831 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.084 -19.266 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.251 -18.200 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.966 -19.933 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.586 -19.364 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.596 -17.361 11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.944 -18.493 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.561 -18.481 13.221 1.00 0.00 H new ATOM 775 N ILE A 50 -12.506 -21.674 10.620 1.00 0.00 N ATOM 776 CA ILE A 50 -11.086 -21.789 10.929 1.00 0.00 C ATOM 777 C ILE A 50 -10.485 -20.429 11.269 1.00 0.00 C ATOM 778 O ILE A 50 -10.003 -20.213 12.380 1.00 0.00 O ATOM 779 CB ILE A 50 -10.303 -22.404 9.754 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.247 -22.721 8.593 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.569 -23.658 10.204 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.550 -23.324 7.393 1.00 0.00 C ATOM 0 H ILE A 50 -12.710 -21.206 9.737 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.004 -22.446 11.794 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.565 -21.679 9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.017 -23.410 8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.753 -21.805 8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.021 -24.080 9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.871 -23.404 11.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.289 -24.389 10.571 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.281 -23.523 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.799 -22.627 7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.067 -24.257 7.684 1.00 0.00 H new ATOM 794 N ALA A 51 -10.520 -19.515 10.305 1.00 0.00 N ATOM 795 CA ALA A 51 -9.983 -18.175 10.504 1.00 0.00 C ATOM 796 C ALA A 51 -11.065 -17.117 10.319 1.00 0.00 C ATOM 797 O ALA A 51 -11.404 -16.751 9.194 1.00 0.00 O ATOM 798 CB ALA A 51 -8.827 -17.922 9.548 1.00 0.00 C ATOM 0 H ALA A 51 -10.915 -19.678 9.379 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.615 -18.107 11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.436 -16.917 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.038 -18.652 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.178 -18.015 8.520 1.00 0.00 H new ATOM 804 N ASP A 52 -11.605 -16.628 11.431 1.00 0.00 N ATOM 805 CA ASP A 52 -12.649 -15.612 11.392 1.00 0.00 C ATOM 806 C ASP A 52 -12.049 -14.213 11.493 1.00 0.00 C ATOM 807 O ASP A 52 -11.546 -13.816 12.545 1.00 0.00 O ATOM 808 CB ASP A 52 -13.651 -15.834 12.526 1.00 0.00 C ATOM 809 CG ASP A 52 -15.003 -15.216 12.234 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.144 -14.570 11.174 1.00 0.00 O ATOM 811 OD2 ASP A 52 -15.922 -15.377 13.065 1.00 0.00 O ATOM 0 H ASP A 52 -11.336 -16.920 12.371 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.169 -15.697 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.773 -16.904 12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.252 -15.409 13.447 1.00 0.00 H new ATOM 816 N HIS A 53 -12.105 -13.469 10.393 1.00 0.00 N ATOM 817 CA HIS A 53 -11.567 -12.114 10.358 1.00 0.00 C ATOM 818 C HIS A 53 -12.676 -11.094 10.118 1.00 0.00 C ATOM 819 O HIS A 53 -12.525 -9.912 10.426 1.00 0.00 O ATOM 820 CB HIS A 53 -10.502 -11.993 9.267 1.00 0.00 C ATOM 821 CG HIS A 53 -9.103 -11.942 9.799 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.489 -10.772 10.192 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.198 -12.928 10.003 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.266 -11.039 10.613 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.064 -12.341 10.510 1.00 0.00 N ATOM 0 H HIS A 53 -12.518 -13.782 9.514 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.110 -11.907 11.326 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.593 -12.840 8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.693 -11.093 8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.341 -13.980 9.804 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.552 -10.316 10.979 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.206 -12.830 10.765 1.00 0.00 H new ATOM 833 N LEU A 54 -13.791 -11.560 9.565 1.00 0.00 N ATOM 834 CA LEU A 54 -14.927 -10.689 9.283 1.00 0.00 C ATOM 835 C LEU A 54 -16.010 -10.845 10.345 1.00 0.00 C ATOM 836 O LEU A 54 -16.990 -10.100 10.361 1.00 0.00 O ATOM 837 CB LEU A 54 -15.503 -11.002 7.900 1.00 0.00 C ATOM 838 CG LEU A 54 -14.506 -10.993 6.741 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.043 -11.803 5.570 1.00 0.00 C ATOM 840 CD2 LEU A 54 -14.202 -9.566 6.309 1.00 0.00 C ATOM 0 H LEU A 54 -13.932 -12.536 9.303 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.575 -9.657 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.976 -11.983 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.289 -10.278 7.683 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.578 -11.453 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.321 -11.786 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.209 -12.833 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.984 -11.371 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.491 -9.580 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.123 -9.079 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.775 -9.015 7.147 1.00 0.00 H new ATOM 852 N LYS A 55 -15.826 -11.816 11.232 1.00 0.00 N ATOM 853 CA LYS A 55 -16.785 -12.068 12.301 1.00 0.00 C ATOM 854 C LYS A 55 -18.202 -12.176 11.747 1.00 0.00 C ATOM 855 O LYS A 55 -19.102 -11.454 12.176 1.00 0.00 O ATOM 856 CB LYS A 55 -16.718 -10.954 13.348 1.00 0.00 C ATOM 857 CG LYS A 55 -15.328 -10.737 13.918 1.00 0.00 C ATOM 858 CD LYS A 55 -15.214 -9.391 14.614 1.00 0.00 C ATOM 859 CE LYS A 55 -13.761 -8.992 14.824 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.042 -8.819 13.531 1.00 0.00 N ATOM 0 H LYS A 55 -15.021 -12.442 11.232 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.525 -13.016 12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.067 -10.024 12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.402 -11.191 14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.095 -11.534 14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.592 -10.797 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.719 -8.629 14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.723 -9.434 15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.718 -8.062 15.391 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.258 -9.753 15.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.231 -8.183 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.704 -9.744 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.688 -8.410 12.826 1.00 0.00 H new ATOM 874 N ILE A 56 -18.392 -13.082 10.794 1.00 0.00 N ATOM 875 CA ILE A 56 -19.700 -13.285 10.183 1.00 0.00 C ATOM 876 C ILE A 56 -20.628 -14.055 11.116 1.00 0.00 C ATOM 877 O ILE A 56 -21.765 -13.647 11.355 1.00 0.00 O ATOM 878 CB ILE A 56 -19.587 -14.044 8.848 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.561 -13.367 7.937 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.944 -14.119 8.165 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.264 -14.149 6.677 1.00 0.00 C ATOM 0 H ILE A 56 -17.657 -13.687 10.428 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.117 -12.296 9.994 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.249 -15.060 9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.927 -12.377 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.634 -13.222 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.848 -14.658 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.649 -14.642 8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.310 -13.111 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.529 -13.610 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.868 -15.129 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.181 -14.272 6.100 1.00 0.00 H new ATOM 893 N PHE A 57 -20.136 -15.171 11.644 1.00 0.00 N ATOM 894 CA PHE A 57 -20.920 -15.999 12.552 1.00 0.00 C ATOM 895 C PHE A 57 -20.921 -15.411 13.960 1.00 0.00 C ATOM 896 O PHE A 57 -21.783 -15.733 14.779 1.00 0.00 O ATOM 897 CB PHE A 57 -20.367 -17.425 12.583 1.00 0.00 C ATOM 898 CG PHE A 57 -20.310 -18.075 11.231 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.470 -18.487 10.595 1.00 0.00 C ATOM 900 CD2 PHE A 57 -19.095 -18.276 10.595 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.421 -19.085 9.350 1.00 0.00 C ATOM 902 CE2 PHE A 57 -19.040 -18.874 9.350 1.00 0.00 C ATOM 903 CZ PHE A 57 -20.204 -19.280 8.727 1.00 0.00 C ATOM 0 H PHE A 57 -19.197 -15.523 11.458 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.947 -16.023 12.186 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.365 -17.408 13.012 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.986 -18.032 13.243 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.424 -18.339 11.078 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.181 -17.962 11.077 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.333 -19.399 8.865 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.087 -19.024 8.864 1.00 0.00 H new ATOM 0 HZ PHE A 57 -20.163 -19.749 7.755 1.00 0.00 H new ATOM 913 N HIS A 58 -19.949 -14.547 14.235 1.00 0.00 N ATOM 914 CA HIS A 58 -19.837 -13.913 15.544 1.00 0.00 C ATOM 915 C HIS A 58 -21.074 -13.074 15.849 1.00 0.00 C ATOM 916 O HIS A 58 -21.339 -12.737 17.003 1.00 0.00 O ATOM 917 CB HIS A 58 -18.585 -13.037 15.604 1.00 0.00 C ATOM 918 CG HIS A 58 -18.009 -12.910 16.981 1.00 0.00 C ATOM 919 ND1 HIS A 58 -17.681 -11.699 17.551 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.703 -13.853 17.902 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.197 -11.902 18.763 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.200 -13.201 19.001 1.00 0.00 N ATOM 0 H HIS A 58 -19.228 -14.270 13.569 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.758 -14.699 16.295 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.828 -13.453 14.939 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.828 -12.043 15.228 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -17.831 -14.920 17.793 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.857 -11.136 19.444 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.881 -13.647 19.861 1.00 0.00 H new ATOM 930 N ASP A 59 -21.829 -12.740 14.808 1.00 0.00 N ATOM 931 CA ASP A 59 -23.038 -11.941 14.964 1.00 0.00 C ATOM 932 C ASP A 59 -24.227 -12.822 15.334 1.00 0.00 C ATOM 933 O ASP A 59 -25.360 -12.347 15.429 1.00 0.00 O ATOM 934 CB ASP A 59 -23.338 -11.173 13.676 1.00 0.00 C ATOM 935 CG ASP A 59 -22.268 -10.150 13.350 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.228 -9.097 14.020 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.469 -10.403 12.424 1.00 0.00 O ATOM 0 H ASP A 59 -21.624 -13.011 13.846 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.871 -11.228 15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.427 -11.877 12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.300 -10.670 13.772 1.00 0.00 H new ATOM 942 N HIS A 60 -23.963 -14.108 15.542 1.00 0.00 N ATOM 943 CA HIS A 60 -25.012 -15.056 15.901 1.00 0.00 C ATOM 944 C HIS A 60 -26.340 -14.664 15.262 1.00 0.00 C ATOM 945 O HIS A 60 -27.385 -14.687 15.914 1.00 0.00 O ATOM 946 CB HIS A 60 -25.165 -15.128 17.421 1.00 0.00 C ATOM 947 CG HIS A 60 -25.901 -13.961 18.004 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.560 -12.654 18.093 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -27.145 -14.073 18.588 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.595 -12.006 18.722 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.539 -12.884 19.010 1.00 0.00 N flip ATOM 0 H HIS A 60 -23.032 -14.518 15.468 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.724 -16.038 15.526 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.691 -16.046 17.682 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.176 -15.187 17.875 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.709 -14.989 18.685 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.631 -10.950 18.945 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.422 -12.679 19.478 1.00 0.00 H new ATOM 959 N HIS A 61 -26.293 -14.304 13.983 1.00 0.00 N ATOM 960 CA HIS A 61 -27.494 -13.907 13.256 1.00 0.00 C ATOM 961 C HIS A 61 -27.383 -14.279 11.781 1.00 0.00 C ATOM 962 O HIS A 61 -28.131 -13.772 10.944 1.00 0.00 O ATOM 963 CB HIS A 61 -27.727 -12.403 13.398 1.00 0.00 C ATOM 964 CG HIS A 61 -28.610 -12.040 14.553 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.332 -11.902 15.871 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.956 -11.775 14.417 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.503 -11.557 16.500 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.467 -11.487 15.601 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.437 -14.279 13.429 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.342 -14.441 13.685 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.765 -11.904 13.516 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -28.172 -12.024 12.478 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.507 -11.799 13.488 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.617 -11.373 17.558 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.441 -11.251 15.789 1.00 0.00 H new ATOM 976 N VAL A 62 -26.446 -15.168 11.468 1.00 0.00 N ATOM 977 CA VAL A 62 -26.238 -15.608 10.094 1.00 0.00 C ATOM 978 C VAL A 62 -26.029 -17.117 10.026 1.00 0.00 C ATOM 979 O VAL A 62 -25.317 -17.695 10.847 1.00 0.00 O ATOM 980 CB VAL A 62 -25.025 -14.904 9.456 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.733 -15.368 10.112 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.991 -15.156 7.956 1.00 0.00 C ATOM 0 H VAL A 62 -25.819 -15.598 12.148 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.137 -15.343 9.537 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.123 -13.831 9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.887 -14.860 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.760 -15.132 11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.625 -16.445 9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.128 -14.651 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.917 -16.227 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.903 -14.770 7.501 1.00 0.00 H new ATOM 992 N THR A 63 -26.655 -17.752 9.039 1.00 0.00 N ATOM 993 CA THR A 63 -26.540 -19.194 8.864 1.00 0.00 C ATOM 994 C THR A 63 -25.553 -19.535 7.752 1.00 0.00 C ATOM 995 O THR A 63 -25.279 -18.713 6.878 1.00 0.00 O ATOM 996 CB THR A 63 -27.903 -19.831 8.538 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.776 -21.256 8.478 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.442 -19.310 7.214 1.00 0.00 C ATOM 0 H THR A 63 -27.247 -17.289 8.349 1.00 0.00 H new ATOM 0 HA THR A 63 -26.175 -19.599 9.808 1.00 0.00 H new ATOM 0 HB THR A 63 -28.603 -19.561 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.648 -21.654 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.406 -19.775 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.565 -18.229 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.742 -19.553 6.415 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.023 -20.753 7.792 1.00 0.00 N ATOM 1007 CA VAL A 64 -24.068 -21.203 6.786 1.00 0.00 C ATOM 1008 C VAL A 64 -24.647 -21.076 5.382 1.00 0.00 C ATOM 1009 O VAL A 64 -23.918 -20.837 4.419 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.648 -22.666 7.026 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -24.821 -23.604 6.783 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.468 -23.034 6.139 1.00 0.00 C ATOM 0 H VAL A 64 -25.238 -21.445 8.509 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.191 -20.562 6.873 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.338 -22.771 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.506 -24.633 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.634 -23.353 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.164 -23.499 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.185 -24.071 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.748 -22.913 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.625 -22.382 6.366 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.962 -21.236 5.273 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.639 -21.139 3.985 1.00 0.00 C ATOM 1024 C GLU A 65 -26.565 -19.717 3.438 1.00 0.00 C ATOM 1025 O GLU A 65 -26.403 -19.512 2.235 1.00 0.00 O ATOM 1026 CB GLU A 65 -28.101 -21.571 4.119 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.287 -22.851 4.915 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.695 -23.404 4.810 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.648 -22.670 5.143 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.843 -24.572 4.393 1.00 0.00 O ATOM 0 H GLU A 65 -26.579 -21.433 6.061 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.134 -21.805 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.665 -20.770 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.523 -21.708 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.579 -23.600 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.053 -22.660 5.962 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.685 -18.739 4.330 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.634 -17.336 3.936 1.00 0.00 C ATOM 1039 C GLN A 66 -25.259 -16.976 3.382 1.00 0.00 C ATOM 1040 O GLN A 66 -25.145 -16.221 2.416 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.968 -16.437 5.127 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.458 -16.192 5.305 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.755 -15.145 6.361 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.229 -15.464 7.452 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.476 -13.887 6.042 1.00 0.00 N ATOM 0 H GLN A 66 -26.818 -18.892 5.330 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.375 -17.178 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.572 -16.890 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.463 -15.479 5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.886 -15.875 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.946 -17.127 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.084 -13.668 5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.654 -13.139 6.713 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.217 -17.521 4.001 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.848 -17.257 3.570 1.00 0.00 C ATOM 1056 C LEU A 67 -22.622 -17.749 2.144 1.00 0.00 C ATOM 1057 O LEU A 67 -22.061 -17.035 1.313 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.855 -17.932 4.518 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.214 -17.028 5.572 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -21.968 -17.124 6.889 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.749 -17.394 5.767 1.00 0.00 C ATOM 0 H LEU A 67 -24.294 -18.148 4.802 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.687 -16.179 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.368 -18.746 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.061 -18.381 3.921 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.268 -15.998 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.497 -16.474 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.002 -16.814 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.946 -18.153 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.308 -16.741 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.674 -18.430 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.215 -17.273 4.824 1.00 0.00 H new ATOM 1073 N MET A 68 -23.064 -18.971 1.868 1.00 0.00 N ATOM 1074 CA MET A 68 -22.912 -19.557 0.541 1.00 0.00 C ATOM 1075 C MET A 68 -23.871 -18.909 -0.452 1.00 0.00 C ATOM 1076 O MET A 68 -23.528 -18.697 -1.615 1.00 0.00 O ATOM 1077 CB MET A 68 -23.157 -21.066 0.595 1.00 0.00 C ATOM 1078 CG MET A 68 -24.509 -21.441 1.181 1.00 0.00 C ATOM 1079 SD MET A 68 -24.798 -23.221 1.175 1.00 0.00 S ATOM 1080 CE MET A 68 -26.588 -23.273 1.200 1.00 0.00 C ATOM 0 H MET A 68 -23.530 -19.575 2.545 1.00 0.00 H new ATOM 0 HA MET A 68 -21.891 -19.374 0.205 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.081 -21.475 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.371 -21.533 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.573 -21.070 2.204 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.297 -20.947 0.613 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.924 -23.833 2.073 1.00 0.00 H new ATOM 0 HE2 MET A 68 -26.981 -22.257 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.951 -23.761 0.295 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.104 -26.330 0.577 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.072 -25.337 0.853 1.00 0.00 C ATOM 1256 C ASP A 81 -15.479 -23.967 0.318 1.00 0.00 C ATOM 1257 O ASP A 81 -15.961 -23.847 -0.809 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.742 -25.766 0.231 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.584 -24.903 0.689 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.395 -23.810 0.115 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -11.865 -25.320 1.621 1.00 0.00 O ATOM 0 HA ASP A 81 -14.952 -25.264 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.541 -26.806 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.820 -25.718 -0.855 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.283 -22.938 1.134 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.631 -21.575 0.745 1.00 0.00 C ATOM 1268 C LEU A 82 -14.719 -20.563 1.431 1.00 0.00 C ATOM 1269 O LEU A 82 -14.454 -20.665 2.628 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.091 -21.281 1.093 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.112 -21.552 -0.013 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.526 -21.334 0.502 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.839 -20.666 -1.220 1.00 0.00 C ATOM 0 H LEU A 82 -14.885 -23.021 2.069 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.496 -21.486 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.363 -21.876 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.170 -20.234 1.385 1.00 0.00 H new ATOM 0 HG LEU A 82 -18.016 -22.593 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -20.239 -21.531 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.718 -22.011 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.635 -20.303 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.575 -20.873 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -17.906 -19.619 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.840 -20.871 -1.603 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.244 -19.587 0.664 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.363 -18.556 1.199 1.00 0.00 C ATOM 1287 C GLU A 83 -13.916 -17.163 0.910 1.00 0.00 C ATOM 1288 O GLU A 83 -14.421 -16.898 -0.182 1.00 0.00 O ATOM 1289 CB GLU A 83 -11.960 -18.693 0.603 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.921 -18.529 -0.907 1.00 0.00 C ATOM 1291 CD GLU A 83 -10.847 -19.378 -1.558 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -10.591 -20.494 -1.060 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -10.262 -18.927 -2.565 1.00 0.00 O ATOM 0 H GLU A 83 -14.454 -19.489 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.306 -18.688 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.307 -17.948 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.558 -19.672 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.892 -18.797 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.748 -17.481 -1.151 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.819 -16.278 1.896 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.311 -14.913 1.749 1.00 0.00 C ATOM 1302 C PHE A 84 -13.243 -13.903 2.159 1.00 0.00 C ATOM 1303 O PHE A 84 -12.616 -14.040 3.209 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.572 -14.709 2.591 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.591 -15.799 2.417 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.327 -15.896 1.247 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.813 -16.725 3.423 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.267 -16.897 1.084 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.751 -17.729 3.266 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.478 -17.815 2.095 1.00 0.00 C ATOM 0 H PHE A 84 -13.404 -16.481 2.805 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.554 -14.752 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.291 -14.649 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.025 -13.753 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.165 -15.182 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.247 -16.662 4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.835 -16.961 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.915 -18.445 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.210 -18.599 1.970 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.042 -12.890 1.322 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.050 -11.858 1.597 1.00 0.00 C ATOM 1322 C GLU A 85 -12.715 -10.590 2.126 1.00 0.00 C ATOM 1323 O GLU A 85 -12.088 -9.791 2.821 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.250 -11.538 0.332 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.255 -10.404 0.512 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.448 -10.131 -0.743 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.431 -11.003 -1.637 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.834 -9.048 -0.831 1.00 0.00 O ATOM 0 H GLU A 85 -13.553 -12.762 0.448 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.372 -12.237 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.715 -12.433 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.942 -11.279 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.790 -9.499 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.577 -10.647 1.330 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.988 -10.414 1.791 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.740 -9.244 2.232 1.00 0.00 C ATOM 1337 C ASP A 86 -16.241 -9.480 2.096 1.00 0.00 C ATOM 1338 O ASP A 86 -16.779 -9.491 0.988 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.329 -8.013 1.423 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.764 -6.717 2.079 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -15.771 -6.736 2.817 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -14.098 -5.685 1.854 1.00 0.00 O ATOM 0 H ASP A 86 -14.521 -11.066 1.216 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.512 -9.071 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.246 -8.008 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.764 -8.076 0.425 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.910 -9.668 3.228 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.348 -9.904 3.234 1.00 0.00 C ATOM 1349 C ILE A 87 -19.082 -8.848 2.415 1.00 0.00 C ATOM 1350 O ILE A 87 -18.608 -7.726 2.235 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.911 -9.908 4.668 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.430 -8.673 5.432 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.502 -11.181 5.394 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.955 -8.596 6.848 1.00 0.00 C ATOM 0 H ILE A 87 -16.479 -9.661 4.153 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.509 -10.884 2.786 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.999 -9.877 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.340 -8.673 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.737 -7.778 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.907 -11.169 6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.891 -12.047 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.415 -11.241 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.573 -7.695 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.044 -8.564 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.626 -9.473 7.406 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.269 -9.212 1.907 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.095 -8.309 1.100 1.00 0.00 C ATOM 1368 C PRO A 88 -21.687 -7.172 1.926 1.00 0.00 C ATOM 1369 O PRO A 88 -21.405 -7.045 3.117 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.205 -9.221 0.572 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.293 -10.326 1.567 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.895 -10.533 2.081 1.00 0.00 C ATOM 0 HA PRO A 88 -20.518 -7.820 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.151 -8.686 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.966 -9.601 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.973 -10.067 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.678 -11.236 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.893 -10.844 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.370 -11.304 1.518 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.510 -6.349 1.285 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.144 -5.223 1.961 1.00 0.00 C ATOM 1382 C ASP A 89 -24.518 -5.614 2.496 1.00 0.00 C ATOM 1383 O ASP A 89 -24.998 -5.046 3.477 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.273 -4.035 1.007 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.268 -4.293 -0.108 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.023 -5.208 -0.922 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.292 -3.581 -0.165 1.00 0.00 O ATOM 0 H ASP A 89 -22.754 -6.440 0.299 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.515 -4.935 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.582 -3.153 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.297 -3.812 0.575 1.00 0.00 H new ATOM 1392 N SER A 90 -25.146 -6.587 1.844 1.00 0.00 N ATOM 1393 CA SER A 90 -26.468 -7.051 2.251 1.00 0.00 C ATOM 1394 C SER A 90 -26.404 -7.757 3.601 1.00 0.00 C ATOM 1395 O SER A 90 -27.376 -7.766 4.358 1.00 0.00 O ATOM 1396 CB SER A 90 -27.047 -7.995 1.195 1.00 0.00 C ATOM 1397 OG SER A 90 -28.363 -8.395 1.537 1.00 0.00 O ATOM 0 H SER A 90 -24.761 -7.069 1.032 1.00 0.00 H new ATOM 0 HA SER A 90 -27.118 -6.181 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.055 -7.499 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.409 -8.874 1.099 1.00 0.00 H new ATOM 0 HG SER A 90 -28.712 -8.996 0.846 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.252 -8.349 3.898 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.059 -9.059 5.157 1.00 0.00 C ATOM 1405 C LEU A 91 -24.450 -8.141 6.212 1.00 0.00 C ATOM 1406 O LEU A 91 -24.997 -7.983 7.304 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.160 -10.279 4.946 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.634 -11.289 3.900 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.574 -12.355 3.669 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.947 -11.925 4.330 1.00 0.00 C ATOM 0 H LEU A 91 -24.438 -8.351 3.284 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.035 -9.392 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.168 -9.929 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.054 -10.796 5.900 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.799 -10.761 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.929 -13.065 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.656 -11.885 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.376 -12.880 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -26.269 -12.641 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.808 -12.439 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.706 -11.151 4.444 1.00 0.00 H new