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 60 HIS :FLIP no HD1:sc= -2.17 F(o=-3.6,f=-2.2) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc=-0.00459 F(o=-3.5,f=-2.2) USER MOD Set 2.1: A 16 CYS SG : rot -171:sc= -0.649 USER MOD Set 2.2: A 19 CYS SG : rot -117:sc= 1.33 USER MOD Set 2.3: A 21 THR OG1 : rot 103:sc= 1.04 USER MOD Set 2.4: A 41 CYS SG : rot 180:sc= 0.184 USER MOD Set 2.5: A 43 HIS : no HD1:sc= -0.206 X(o=0.35,f=0.65) USER MOD Set 2.6: A 44 CYS SG : rot -55:sc= -1.34! USER MOD Set 3.1: A 11 MET CE :methyl -106:sc= -1.55! (180deg=-0.946) USER MOD Set 3.2: A 26 THR OG1 : rot 120:sc= -0.768 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 146:sc= -1.62 (180deg=-3.66!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0422 (180deg=-0.305) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.404) USER MOD Single : A 20 ASN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 23 SER OG : rot 7:sc= 0.368 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 25 HIS : no HD1:sc= -0.637 X(o=-0.64,f=-0.39) USER MOD Single : A 27 MET CE :methyl -159:sc= -2.63 (180deg=-5.12!) USER MOD Single : A 28 SER OG : rot -153:sc= 0.287 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.015) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.49 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 48 HIS : no HE2:sc= -3.7 K(o=-3.7,f=-4.6) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.0469 (180deg=-0.366) USER MOD Single : A 58 HIS : no HD1:sc= -0.0835 K(o=-0.084,f=-0.69) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 68 MET CE :methyl -137:sc= -0.17 (180deg=-0.479) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.971 -19.837 -2.622 1.00 0.00 N ATOM 118 CA LYS A 9 -3.712 -20.736 -1.746 1.00 0.00 C ATOM 119 C LYS A 9 -2.766 -21.676 -1.005 1.00 0.00 C ATOM 120 O LYS A 9 -1.644 -21.917 -1.448 1.00 0.00 O ATOM 121 CB LYS A 9 -4.726 -21.548 -2.554 1.00 0.00 C ATOM 122 CG LYS A 9 -4.150 -22.152 -3.822 1.00 0.00 C ATOM 123 CD LYS A 9 -4.845 -23.453 -4.187 1.00 0.00 C ATOM 124 CE LYS A 9 -6.236 -23.203 -4.750 1.00 0.00 C ATOM 125 NZ LYS A 9 -6.821 -24.433 -5.351 1.00 0.00 N ATOM 0 HA LYS A 9 -4.243 -20.131 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.120 -22.348 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.566 -20.906 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.251 -21.442 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.084 -22.334 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.246 -23.993 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.917 -24.088 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.889 -22.841 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.186 -22.418 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.769 -24.221 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.211 -24.765 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.892 -25.174 -4.625 1.00 0.00 H new ATOM 139 N MET A 10 -3.228 -22.204 0.124 1.00 0.00 N ATOM 140 CA MET A 10 -2.423 -23.120 0.924 1.00 0.00 C ATOM 141 C MET A 10 -3.284 -24.240 1.499 1.00 0.00 C ATOM 142 O MET A 10 -4.484 -24.068 1.706 1.00 0.00 O ATOM 143 CB MET A 10 -1.725 -22.364 2.056 1.00 0.00 C ATOM 144 CG MET A 10 -2.613 -21.334 2.736 1.00 0.00 C ATOM 145 SD MET A 10 -2.061 -20.935 4.405 1.00 0.00 S ATOM 146 CE MET A 10 -3.192 -21.924 5.381 1.00 0.00 C ATOM 0 H MET A 10 -4.155 -22.013 0.505 1.00 0.00 H new ATOM 0 HA MET A 10 -1.668 -23.563 0.274 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.378 -23.080 2.800 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.842 -21.864 1.658 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.632 -20.424 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.635 -21.711 2.776 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.683 -22.282 6.276 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.050 -21.317 5.670 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.532 -22.776 4.792 1.00 0.00 H new ATOM 156 N MET A 11 -2.662 -25.386 1.754 1.00 0.00 N ATOM 157 CA MET A 11 -3.373 -26.534 2.306 1.00 0.00 C ATOM 158 C MET A 11 -3.097 -26.677 3.800 1.00 0.00 C ATOM 159 O MET A 11 -1.962 -26.512 4.249 1.00 0.00 O ATOM 160 CB MET A 11 -2.964 -27.814 1.575 1.00 0.00 C ATOM 161 CG MET A 11 -4.026 -28.901 1.612 1.00 0.00 C ATOM 162 SD MET A 11 -3.607 -30.317 0.578 1.00 0.00 S ATOM 163 CE MET A 11 -3.570 -29.554 -1.042 1.00 0.00 C ATOM 0 H MET A 11 -1.668 -25.545 1.588 1.00 0.00 H new ATOM 0 HA MET A 11 -4.441 -26.370 2.166 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.739 -27.573 0.536 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.046 -28.199 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.163 -29.235 2.641 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.978 -28.485 1.283 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.457 -29.848 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.553 -28.470 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.678 -29.879 -1.577 1.00 0.00 H new ATOM 173 N ILE A 12 -4.140 -26.984 4.563 1.00 0.00 N ATOM 174 CA ILE A 12 -4.009 -27.150 6.005 1.00 0.00 C ATOM 175 C ILE A 12 -4.871 -28.303 6.507 1.00 0.00 C ATOM 176 O ILE A 12 -6.080 -28.331 6.281 1.00 0.00 O ATOM 177 CB ILE A 12 -4.401 -25.865 6.757 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.685 -25.275 6.169 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.270 -24.850 6.698 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.614 -24.691 7.210 1.00 0.00 C ATOM 0 H ILE A 12 -5.086 -27.123 4.207 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.960 -27.372 6.203 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.584 -26.115 7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.423 -24.498 5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.213 -26.053 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.563 -23.947 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.377 -25.273 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.058 -24.602 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.503 -24.291 6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.906 -25.470 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.103 -23.891 7.745 1.00 0.00 H new ATOM 192 N ALA A 13 -4.240 -29.253 7.190 1.00 0.00 N ATOM 193 CA ALA A 13 -4.951 -30.406 7.728 1.00 0.00 C ATOM 194 C ALA A 13 -5.298 -30.201 9.199 1.00 0.00 C ATOM 195 O ALA A 13 -4.429 -29.893 10.015 1.00 0.00 O ATOM 196 CB ALA A 13 -4.118 -31.668 7.551 1.00 0.00 C ATOM 0 H ALA A 13 -3.239 -29.247 7.384 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.884 -30.518 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.660 -32.522 7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.926 -31.831 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.171 -31.556 8.079 1.00 0.00 H new ATOM 202 N PHE A 14 -6.573 -30.373 9.530 1.00 0.00 N ATOM 203 CA PHE A 14 -7.035 -30.204 10.903 1.00 0.00 C ATOM 204 C PHE A 14 -7.683 -31.486 11.420 1.00 0.00 C ATOM 205 O PHE A 14 -8.448 -32.139 10.709 1.00 0.00 O ATOM 206 CB PHE A 14 -8.031 -29.046 10.990 1.00 0.00 C ATOM 207 CG PHE A 14 -9.461 -29.491 11.099 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.209 -29.749 9.961 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.058 -29.651 12.339 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.525 -30.159 10.058 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.374 -30.061 12.441 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.109 -30.314 11.300 1.00 0.00 C ATOM 0 H PHE A 14 -7.305 -30.629 8.867 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.170 -29.977 11.526 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.784 -28.429 11.854 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.921 -28.416 10.107 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.758 -29.628 8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.489 -29.453 13.235 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.096 -30.358 9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.827 -30.183 13.414 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.138 -30.632 11.378 1.00 0.00 H new ATOM 222 N THR A 15 -7.371 -31.840 12.662 1.00 0.00 N ATOM 223 CA THR A 15 -7.920 -33.043 13.275 1.00 0.00 C ATOM 224 C THR A 15 -9.265 -32.760 13.934 1.00 0.00 C ATOM 225 O THR A 15 -9.338 -32.051 14.938 1.00 0.00 O ATOM 226 CB THR A 15 -6.958 -33.626 14.328 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.715 -33.982 13.712 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.567 -34.849 14.997 1.00 0.00 C ATOM 0 H THR A 15 -6.740 -31.310 13.264 1.00 0.00 H new ATOM 0 HA THR A 15 -8.056 -33.771 12.475 1.00 0.00 H new ATOM 0 HB THR A 15 -6.781 -32.865 15.088 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.108 -34.350 14.388 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.870 -35.244 15.737 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.498 -34.569 15.489 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.769 -35.612 14.245 1.00 0.00 H new ATOM 236 N CYS A 16 -10.327 -33.318 13.363 1.00 0.00 N ATOM 237 CA CYS A 16 -11.671 -33.125 13.895 1.00 0.00 C ATOM 238 C CYS A 16 -11.835 -33.844 15.231 1.00 0.00 C ATOM 239 O CYS A 16 -11.938 -35.070 15.280 1.00 0.00 O ATOM 240 CB CYS A 16 -12.714 -33.631 12.898 1.00 0.00 C ATOM 241 SG CYS A 16 -14.317 -32.803 13.022 1.00 0.00 S ATOM 0 H CYS A 16 -10.283 -33.908 12.532 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.822 -32.058 14.057 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.327 -33.501 11.887 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.857 -34.701 13.050 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.184 -33.421 12.276 1.00 0.00 H new ATOM 246 N LYS A 17 -11.857 -33.073 16.312 1.00 0.00 N ATOM 247 CA LYS A 17 -12.008 -33.634 17.650 1.00 0.00 C ATOM 248 C LYS A 17 -13.425 -34.157 17.863 1.00 0.00 C ATOM 249 O LYS A 17 -13.703 -34.845 18.846 1.00 0.00 O ATOM 250 CB LYS A 17 -11.678 -32.579 18.708 1.00 0.00 C ATOM 251 CG LYS A 17 -10.576 -33.002 19.665 1.00 0.00 C ATOM 252 CD LYS A 17 -9.284 -32.249 19.395 1.00 0.00 C ATOM 253 CE LYS A 17 -8.146 -32.767 20.260 1.00 0.00 C ATOM 254 NZ LYS A 17 -7.806 -34.181 19.943 1.00 0.00 N ATOM 0 H LYS A 17 -11.772 -32.057 16.288 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.313 -34.468 17.748 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.380 -31.657 18.209 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.579 -32.356 19.280 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.895 -32.822 20.692 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.401 -34.074 19.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.017 -32.348 18.343 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.434 -31.187 19.587 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.266 -32.141 20.115 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.424 -32.687 21.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.882 -34.417 20.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.534 -34.810 20.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.764 -34.305 18.911 1.00 0.00 H new ATOM 268 N LYS A 18 -14.318 -33.829 16.936 1.00 0.00 N ATOM 269 CA LYS A 18 -15.706 -34.267 17.021 1.00 0.00 C ATOM 270 C LYS A 18 -15.825 -35.759 16.725 1.00 0.00 C ATOM 271 O LYS A 18 -16.356 -36.521 17.534 1.00 0.00 O ATOM 272 CB LYS A 18 -16.574 -33.472 16.043 1.00 0.00 C ATOM 273 CG LYS A 18 -16.812 -32.034 16.470 1.00 0.00 C ATOM 274 CD LYS A 18 -16.167 -31.052 15.506 1.00 0.00 C ATOM 275 CE LYS A 18 -16.955 -30.947 14.209 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.195 -30.140 14.378 1.00 0.00 N ATOM 0 H LYS A 18 -14.105 -33.261 16.116 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.056 -34.087 18.037 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.099 -33.477 15.062 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.536 -33.973 15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.884 -31.842 16.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.410 -31.880 17.471 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.102 -30.070 15.974 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.147 -31.370 15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.329 -30.495 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.216 -31.946 13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.521 -29.806 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.935 -30.727 14.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.997 -29.323 14.990 1.00 0.00 H new ATOM 290 N CYS A 19 -15.325 -36.169 15.565 1.00 0.00 N ATOM 291 CA CYS A 19 -15.374 -37.570 15.163 1.00 0.00 C ATOM 292 C CYS A 19 -13.969 -38.150 15.041 1.00 0.00 C ATOM 293 O CYS A 19 -13.763 -39.170 14.384 1.00 0.00 O ATOM 294 CB CYS A 19 -16.117 -37.716 13.835 1.00 0.00 C ATOM 295 SG CYS A 19 -15.527 -36.607 12.534 1.00 0.00 S ATOM 0 H CYS A 19 -14.881 -35.551 14.886 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.910 -38.125 15.933 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.024 -38.746 13.490 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.178 -37.531 14.002 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.481 -35.792 12.193 1.00 0.00 H new ATOM 300 N ASN A 20 -13.005 -37.492 15.677 1.00 0.00 N ATOM 301 CA ASN A 20 -11.618 -37.941 15.637 1.00 0.00 C ATOM 302 C ASN A 20 -11.184 -38.240 14.205 1.00 0.00 C ATOM 303 O ASN A 20 -10.383 -39.143 13.962 1.00 0.00 O ATOM 304 CB ASN A 20 -11.438 -39.187 16.506 1.00 0.00 C ATOM 305 CG ASN A 20 -12.013 -39.008 17.898 1.00 0.00 C ATOM 306 OD1 ASN A 20 -12.771 -39.849 18.382 1.00 0.00 O ATOM 307 ND2 ASN A 20 -11.653 -37.908 18.550 1.00 0.00 N ATOM 0 H ASN A 20 -13.159 -36.646 16.226 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.992 -37.139 16.028 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.921 -40.037 16.023 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.377 -39.424 16.582 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.007 -37.734 19.490 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.022 -37.238 18.110 1.00 0.00 H new ATOM 314 N THR A 21 -11.718 -37.474 13.258 1.00 0.00 N ATOM 315 CA THR A 21 -11.387 -37.657 11.851 1.00 0.00 C ATOM 316 C THR A 21 -10.513 -36.517 11.340 1.00 0.00 C ATOM 317 O THR A 21 -10.807 -35.344 11.571 1.00 0.00 O ATOM 318 CB THR A 21 -12.656 -37.744 10.982 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.518 -38.775 11.477 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.300 -38.027 9.530 1.00 0.00 C ATOM 0 H THR A 21 -12.382 -36.721 13.441 1.00 0.00 H new ATOM 0 HA THR A 21 -10.838 -38.596 11.775 1.00 0.00 H new ATOM 0 HB THR A 21 -13.171 -36.785 11.032 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.262 -38.371 11.970 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.212 -38.084 8.936 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.668 -37.226 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.765 -38.974 9.465 1.00 0.00 H new ATOM 328 N ARG A 22 -9.438 -36.870 10.643 1.00 0.00 N ATOM 329 CA ARG A 22 -8.520 -35.876 10.099 1.00 0.00 C ATOM 330 C ARG A 22 -8.711 -35.725 8.593 1.00 0.00 C ATOM 331 O ARG A 22 -8.972 -36.702 7.889 1.00 0.00 O ATOM 332 CB ARG A 22 -7.072 -36.266 10.404 1.00 0.00 C ATOM 333 CG ARG A 22 -6.115 -35.086 10.427 1.00 0.00 C ATOM 334 CD ARG A 22 -4.693 -35.515 10.101 1.00 0.00 C ATOM 335 NE ARG A 22 -3.704 -34.586 10.642 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.393 -34.787 10.572 1.00 0.00 C ATOM 337 NH1 ARG A 22 -1.916 -35.877 9.988 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.556 -33.896 11.087 1.00 0.00 N ATOM 0 H ARG A 22 -9.181 -37.836 10.442 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.739 -34.919 10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.036 -36.771 11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.733 -36.983 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.444 -34.336 9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.138 -34.617 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.513 -36.511 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.574 -35.583 9.020 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.038 -33.737 11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.556 -36.564 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.909 -36.028 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.919 -33.056 11.537 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.549 -34.051 11.033 1.00 0.00 H new ATOM 352 N SER A 23 -8.581 -34.496 8.104 1.00 0.00 N ATOM 353 CA SER A 23 -8.744 -34.217 6.682 1.00 0.00 C ATOM 354 C SER A 23 -8.012 -32.936 6.293 1.00 0.00 C ATOM 355 O SER A 23 -7.852 -32.028 7.107 1.00 0.00 O ATOM 356 CB SER A 23 -10.228 -34.096 6.332 1.00 0.00 C ATOM 357 OG SER A 23 -10.883 -35.347 6.450 1.00 0.00 O ATOM 0 H SER A 23 -8.363 -33.677 8.672 1.00 0.00 H new ATOM 0 HA SER A 23 -8.312 -35.046 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.703 -33.370 6.992 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.336 -33.720 5.315 1.00 0.00 H new ATOM 0 HG SER A 23 -10.268 -36.003 6.839 1.00 0.00 H new ATOM 363 N SER A 24 -7.570 -32.873 5.041 1.00 0.00 N ATOM 364 CA SER A 24 -6.851 -31.706 4.543 1.00 0.00 C ATOM 365 C SER A 24 -7.758 -30.839 3.675 1.00 0.00 C ATOM 366 O SER A 24 -8.621 -31.346 2.958 1.00 0.00 O ATOM 367 CB SER A 24 -5.623 -32.141 3.741 1.00 0.00 C ATOM 368 OG SER A 24 -5.696 -33.515 3.401 1.00 0.00 O ATOM 0 H SER A 24 -7.697 -33.616 4.353 1.00 0.00 H new ATOM 0 HA SER A 24 -6.526 -31.117 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.547 -31.542 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.720 -31.955 4.323 1.00 0.00 H new ATOM 0 HG SER A 24 -4.900 -33.768 2.887 1.00 0.00 H new ATOM 374 N HIS A 25 -7.557 -29.527 3.746 1.00 0.00 N ATOM 375 CA HIS A 25 -8.355 -28.587 2.967 1.00 0.00 C ATOM 376 C HIS A 25 -7.498 -27.428 2.468 1.00 0.00 C ATOM 377 O HIS A 25 -6.684 -26.878 3.212 1.00 0.00 O ATOM 378 CB HIS A 25 -9.516 -28.053 3.807 1.00 0.00 C ATOM 379 CG HIS A 25 -10.100 -29.071 4.738 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.228 -29.805 4.440 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.703 -29.477 5.967 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.502 -30.617 5.445 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.591 -30.438 6.385 1.00 0.00 N ATOM 0 H HIS A 25 -6.848 -29.091 4.335 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.755 -29.118 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.170 -27.198 4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.299 -27.690 3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.847 -29.113 6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.330 -31.309 5.491 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.553 -30.933 7.276 1.00 0.00 H new ATOM 391 N THR A 26 -7.685 -27.061 1.204 1.00 0.00 N ATOM 392 CA THR A 26 -6.927 -25.969 0.605 1.00 0.00 C ATOM 393 C THR A 26 -7.813 -24.752 0.367 1.00 0.00 C ATOM 394 O THR A 26 -8.883 -24.858 -0.232 1.00 0.00 O ATOM 395 CB THR A 26 -6.289 -26.395 -0.730 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.951 -27.786 -0.691 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.043 -25.573 -1.021 1.00 0.00 C ATOM 0 H THR A 26 -8.355 -27.504 0.575 1.00 0.00 H new ATOM 0 HA THR A 26 -6.137 -25.708 1.309 1.00 0.00 H new ATOM 0 HB THR A 26 -7.014 -26.221 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.435 -28.260 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.610 -25.892 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.309 -24.518 -1.080 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.316 -25.719 -0.222 1.00 0.00 H new ATOM 405 N MET A 27 -7.360 -23.595 0.840 1.00 0.00 N ATOM 406 CA MET A 27 -8.112 -22.356 0.676 1.00 0.00 C ATOM 407 C MET A 27 -7.176 -21.184 0.400 1.00 0.00 C ATOM 408 O MET A 27 -5.971 -21.271 0.637 1.00 0.00 O ATOM 409 CB MET A 27 -8.948 -22.073 1.926 1.00 0.00 C ATOM 410 CG MET A 27 -8.114 -21.743 3.153 1.00 0.00 C ATOM 411 SD MET A 27 -7.557 -23.216 4.031 1.00 0.00 S ATOM 412 CE MET A 27 -9.125 -23.932 4.517 1.00 0.00 C ATOM 0 H MET A 27 -6.477 -23.490 1.339 1.00 0.00 H new ATOM 0 HA MET A 27 -8.778 -22.475 -0.179 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.623 -21.242 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.569 -22.942 2.142 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.247 -21.155 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.700 -21.121 3.830 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.971 -24.611 5.356 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.811 -23.139 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.549 -24.483 3.678 1.00 0.00 H new ATOM 422 N SER A 28 -7.737 -20.090 -0.103 1.00 0.00 N ATOM 423 CA SER A 28 -6.951 -18.902 -0.415 1.00 0.00 C ATOM 424 C SER A 28 -6.233 -18.383 0.827 1.00 0.00 C ATOM 425 O SER A 28 -6.848 -18.178 1.874 1.00 0.00 O ATOM 426 CB SER A 28 -7.849 -17.807 -0.994 1.00 0.00 C ATOM 427 OG SER A 28 -7.282 -16.524 -0.796 1.00 0.00 O ATOM 0 H SER A 28 -8.733 -20.001 -0.303 1.00 0.00 H new ATOM 0 HA SER A 28 -6.202 -19.178 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.999 -17.981 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.831 -17.851 -0.523 1.00 0.00 H new ATOM 0 HG SER A 28 -7.995 -15.853 -0.762 1.00 0.00 H new ATOM 433 N LYS A 29 -4.927 -18.172 0.704 1.00 0.00 N ATOM 434 CA LYS A 29 -4.124 -17.676 1.814 1.00 0.00 C ATOM 435 C LYS A 29 -4.588 -16.288 2.245 1.00 0.00 C ATOM 436 O LYS A 29 -4.590 -15.966 3.433 1.00 0.00 O ATOM 437 CB LYS A 29 -2.645 -17.631 1.421 1.00 0.00 C ATOM 438 CG LYS A 29 -1.699 -17.889 2.581 1.00 0.00 C ATOM 439 CD LYS A 29 -1.066 -16.601 3.080 1.00 0.00 C ATOM 440 CE LYS A 29 0.226 -16.291 2.339 1.00 0.00 C ATOM 441 NZ LYS A 29 1.229 -15.636 3.223 1.00 0.00 N ATOM 0 H LYS A 29 -4.402 -18.337 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.250 -18.359 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.462 -18.371 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.422 -16.655 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.242 -18.368 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.918 -18.582 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.767 -15.776 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.863 -16.684 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.644 -17.214 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.011 -15.642 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.095 -15.441 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.840 -14.743 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.454 -16.266 4.019 1.00 0.00 H new ATOM 455 N GLN A 30 -4.983 -15.473 1.272 1.00 0.00 N ATOM 456 CA GLN A 30 -5.450 -14.120 1.553 1.00 0.00 C ATOM 457 C GLN A 30 -6.787 -14.148 2.286 1.00 0.00 C ATOM 458 O GLN A 30 -7.027 -13.348 3.190 1.00 0.00 O ATOM 459 CB GLN A 30 -5.585 -13.325 0.253 1.00 0.00 C ATOM 460 CG GLN A 30 -5.351 -11.833 0.426 1.00 0.00 C ATOM 461 CD GLN A 30 -6.636 -11.031 0.369 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.332 -11.023 -0.646 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.958 -10.350 1.463 1.00 0.00 N ATOM 0 H GLN A 30 -4.989 -15.725 0.284 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.714 -13.634 2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.874 -13.714 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.582 -13.483 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.858 -11.655 1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.673 -11.483 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.352 -10.385 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.812 -9.792 1.484 1.00 0.00 H new ATOM 472 N ALA A 31 -7.655 -15.073 1.891 1.00 0.00 N ATOM 473 CA ALA A 31 -8.967 -15.206 2.512 1.00 0.00 C ATOM 474 C ALA A 31 -8.854 -15.802 3.911 1.00 0.00 C ATOM 475 O ALA A 31 -9.653 -15.492 4.795 1.00 0.00 O ATOM 476 CB ALA A 31 -9.878 -16.060 1.643 1.00 0.00 C ATOM 0 H ALA A 31 -7.473 -15.742 1.143 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.401 -14.210 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.854 -16.151 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.993 -15.591 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.440 -17.051 1.521 1.00 0.00 H new ATOM 482 N TYR A 32 -7.858 -16.660 4.105 1.00 0.00 N ATOM 483 CA TYR A 32 -7.644 -17.302 5.396 1.00 0.00 C ATOM 484 C TYR A 32 -6.939 -16.357 6.364 1.00 0.00 C ATOM 485 O TYR A 32 -7.356 -16.204 7.512 1.00 0.00 O ATOM 486 CB TYR A 32 -6.820 -18.580 5.223 1.00 0.00 C ATOM 487 CG TYR A 32 -6.399 -19.211 6.530 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.210 -18.845 7.150 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.190 -20.173 7.146 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.821 -19.420 8.344 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.809 -20.752 8.342 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.624 -20.372 8.937 1.00 0.00 C ATOM 493 OH TYR A 32 -5.241 -20.947 10.127 1.00 0.00 O ATOM 0 H TYR A 32 -7.187 -16.927 3.385 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.618 -17.559 5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.402 -19.303 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.930 -18.352 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.580 -18.098 6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.118 -20.473 6.683 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.893 -19.126 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.436 -21.498 8.808 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.918 -21.596 10.409 1.00 0.00 H new ATOM 503 N GLU A 33 -5.869 -15.726 5.891 1.00 0.00 N ATOM 504 CA GLU A 33 -5.105 -14.796 6.715 1.00 0.00 C ATOM 505 C GLU A 33 -5.883 -13.502 6.938 1.00 0.00 C ATOM 506 O GLU A 33 -5.838 -12.916 8.020 1.00 0.00 O ATOM 507 CB GLU A 33 -3.758 -14.487 6.059 1.00 0.00 C ATOM 508 CG GLU A 33 -2.697 -15.543 6.321 1.00 0.00 C ATOM 509 CD GLU A 33 -1.314 -14.948 6.502 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.130 -13.761 6.159 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.416 -15.668 6.985 1.00 0.00 O ATOM 0 H GLU A 33 -5.512 -15.841 4.943 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.930 -15.267 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.902 -14.387 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.398 -13.525 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.965 -16.108 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.679 -16.249 5.490 1.00 0.00 H new ATOM 518 N LYS A 34 -6.596 -13.062 5.907 1.00 0.00 N ATOM 519 CA LYS A 34 -7.385 -11.839 5.988 1.00 0.00 C ATOM 520 C LYS A 34 -8.812 -12.079 5.506 1.00 0.00 C ATOM 521 O LYS A 34 -9.220 -11.568 4.464 1.00 0.00 O ATOM 522 CB LYS A 34 -6.734 -10.731 5.157 1.00 0.00 C ATOM 523 CG LYS A 34 -5.259 -10.533 5.457 1.00 0.00 C ATOM 524 CD LYS A 34 -5.043 -10.002 6.865 1.00 0.00 C ATOM 525 CE LYS A 34 -3.700 -10.442 7.427 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.562 -9.802 6.710 1.00 0.00 N ATOM 0 H LYS A 34 -6.644 -13.535 5.005 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.420 -11.528 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.853 -10.964 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.262 -9.795 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.732 -11.480 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.830 -9.838 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.096 -8.913 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.844 -10.355 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.650 -10.190 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.613 -11.526 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.665 -10.128 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.595 -10.063 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.631 -8.768 6.802 1.00 0.00 H new ATOM 540 N GLY A 35 -9.568 -12.860 6.272 1.00 0.00 N ATOM 541 CA GLY A 35 -10.942 -13.152 5.907 1.00 0.00 C ATOM 542 C GLY A 35 -11.473 -14.395 6.595 1.00 0.00 C ATOM 543 O GLY A 35 -10.785 -15.000 7.418 1.00 0.00 O ATOM 0 H GLY A 35 -9.253 -13.296 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.572 -12.301 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.008 -13.282 4.827 1.00 0.00 H new ATOM 547 N THR A 36 -12.701 -14.776 6.259 1.00 0.00 N ATOM 548 CA THR A 36 -13.325 -15.952 6.851 1.00 0.00 C ATOM 549 C THR A 36 -13.137 -17.179 5.967 1.00 0.00 C ATOM 550 O THR A 36 -13.160 -17.082 4.740 1.00 0.00 O ATOM 551 CB THR A 36 -14.831 -15.730 7.087 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.049 -14.451 7.695 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.407 -16.823 7.975 1.00 0.00 C ATOM 0 H THR A 36 -13.283 -14.287 5.579 1.00 0.00 H new ATOM 0 HA THR A 36 -12.835 -16.120 7.810 1.00 0.00 H new ATOM 0 HB THR A 36 -15.336 -15.764 6.122 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.851 -14.489 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.471 -16.645 8.127 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.266 -17.792 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.896 -16.816 8.938 1.00 0.00 H new ATOM 561 N VAL A 37 -12.950 -18.334 6.598 1.00 0.00 N ATOM 562 CA VAL A 37 -12.759 -19.582 5.868 1.00 0.00 C ATOM 563 C VAL A 37 -13.518 -20.727 6.529 1.00 0.00 C ATOM 564 O VAL A 37 -13.415 -20.939 7.737 1.00 0.00 O ATOM 565 CB VAL A 37 -11.267 -19.955 5.776 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.560 -19.082 4.750 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.603 -19.835 7.139 1.00 0.00 C ATOM 0 H VAL A 37 -12.927 -18.431 7.613 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.149 -19.424 4.863 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.189 -20.992 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.507 -19.360 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.020 -19.224 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.645 -18.035 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.550 -20.102 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.690 -18.809 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.093 -20.508 7.843 1.00 0.00 H new ATOM 577 N LEU A 38 -14.280 -21.463 5.728 1.00 0.00 N ATOM 578 CA LEU A 38 -15.058 -22.589 6.234 1.00 0.00 C ATOM 579 C LEU A 38 -14.664 -23.884 5.531 1.00 0.00 C ATOM 580 O LEU A 38 -14.522 -23.918 4.308 1.00 0.00 O ATOM 581 CB LEU A 38 -16.553 -22.327 6.045 1.00 0.00 C ATOM 582 CG LEU A 38 -17.405 -22.349 7.315 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.931 -21.286 8.293 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.874 -22.147 6.975 1.00 0.00 C ATOM 0 H LEU A 38 -14.376 -21.301 4.726 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.846 -22.696 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.673 -21.354 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.947 -23.072 5.354 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.293 -23.325 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.549 -21.316 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.892 -21.476 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.012 -20.303 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.465 -22.166 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.004 -21.185 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.207 -22.945 6.312 1.00 0.00 H new ATOM 596 N ILE A 39 -14.491 -24.945 6.310 1.00 0.00 N ATOM 597 CA ILE A 39 -14.117 -26.243 5.761 1.00 0.00 C ATOM 598 C ILE A 39 -15.015 -27.349 6.304 1.00 0.00 C ATOM 599 O ILE A 39 -15.334 -27.377 7.492 1.00 0.00 O ATOM 600 CB ILE A 39 -12.649 -26.586 6.079 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.372 -26.405 7.573 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.711 -25.719 5.252 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.331 -27.360 8.114 1.00 0.00 C ATOM 0 H ILE A 39 -14.604 -24.932 7.324 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.241 -26.176 4.680 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.471 -27.630 5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.042 -25.382 7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.301 -26.542 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.678 -25.973 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.894 -25.893 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.888 -24.669 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.185 -27.175 9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.667 -28.386 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.389 -27.208 7.587 1.00 0.00 H new ATOM 615 N SER A 40 -15.418 -28.261 5.425 1.00 0.00 N ATOM 616 CA SER A 40 -16.282 -29.369 5.815 1.00 0.00 C ATOM 617 C SER A 40 -15.470 -30.646 6.012 1.00 0.00 C ATOM 618 O SER A 40 -14.574 -30.953 5.225 1.00 0.00 O ATOM 619 CB SER A 40 -17.363 -29.597 4.757 1.00 0.00 C ATOM 620 OG SER A 40 -17.815 -30.940 4.771 1.00 0.00 O ATOM 0 H SER A 40 -15.160 -28.254 4.438 1.00 0.00 H new ATOM 0 HA SER A 40 -16.758 -29.111 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.202 -28.926 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.968 -29.353 3.771 1.00 0.00 H new ATOM 0 HG SER A 40 -18.506 -31.060 4.087 1.00 0.00 H new ATOM 626 N CYS A 41 -15.791 -31.386 7.067 1.00 0.00 N ATOM 627 CA CYS A 41 -15.092 -32.630 7.370 1.00 0.00 C ATOM 628 C CYS A 41 -15.801 -33.821 6.732 1.00 0.00 C ATOM 629 O CYS A 41 -16.956 -34.121 7.034 1.00 0.00 O ATOM 630 CB CYS A 41 -14.995 -32.830 8.883 1.00 0.00 C ATOM 631 SG CYS A 41 -14.353 -34.447 9.375 1.00 0.00 S ATOM 0 H CYS A 41 -16.531 -31.146 7.727 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.086 -32.563 6.955 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.353 -32.054 9.301 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -15.984 -32.695 9.321 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.307 -34.519 10.672 1.00 0.00 H new ATOM 636 N PRO A 42 -15.095 -34.515 5.828 1.00 0.00 N ATOM 637 CA PRO A 42 -15.637 -35.684 5.128 1.00 0.00 C ATOM 638 C PRO A 42 -15.816 -36.882 6.053 1.00 0.00 C ATOM 639 O PRO A 42 -15.132 -37.897 5.912 1.00 0.00 O ATOM 640 CB PRO A 42 -14.577 -35.983 4.065 1.00 0.00 C ATOM 641 CG PRO A 42 -13.313 -35.424 4.621 1.00 0.00 C ATOM 642 CD PRO A 42 -13.712 -34.214 5.420 1.00 0.00 C ATOM 0 HA PRO A 42 -16.629 -35.491 4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.490 -37.054 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.830 -35.518 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.805 -36.156 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.621 -35.154 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.061 -34.069 6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.658 -33.303 4.824 1.00 0.00 H new ATOM 650 N HIS A 43 -16.741 -36.760 7.001 1.00 0.00 N ATOM 651 CA HIS A 43 -17.011 -37.834 7.949 1.00 0.00 C ATOM 652 C HIS A 43 -18.235 -37.513 8.800 1.00 0.00 C ATOM 653 O HIS A 43 -19.045 -38.392 9.097 1.00 0.00 O ATOM 654 CB HIS A 43 -15.796 -38.066 8.849 1.00 0.00 C ATOM 655 CG HIS A 43 -15.852 -39.355 9.609 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.373 -40.547 9.106 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.331 -39.636 10.844 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.558 -41.504 9.997 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.137 -40.977 11.061 1.00 0.00 N ATOM 0 H HIS A 43 -17.316 -35.928 7.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.213 -38.743 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.894 -38.053 8.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.714 -37.240 9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.782 -38.935 11.531 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.283 -42.541 9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.398 -41.484 11.907 1.00 0.00 H new ATOM 667 N CYS A 44 -18.364 -36.249 9.189 1.00 0.00 N ATOM 668 CA CYS A 44 -19.490 -35.812 10.008 1.00 0.00 C ATOM 669 C CYS A 44 -20.337 -34.785 9.263 1.00 0.00 C ATOM 670 O CYS A 44 -21.226 -34.161 9.842 1.00 0.00 O ATOM 671 CB CYS A 44 -18.989 -35.219 11.325 1.00 0.00 C ATOM 672 SG CYS A 44 -17.655 -34.014 11.133 1.00 0.00 S ATOM 0 H CYS A 44 -17.703 -35.509 8.951 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.111 -36.682 10.223 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.824 -34.741 11.837 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.643 -36.029 11.967 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.679 -34.550 10.462 1.00 0.00 H new ATOM 677 N LYS A 45 -20.054 -34.614 7.976 1.00 0.00 N ATOM 678 CA LYS A 45 -20.789 -33.663 7.151 1.00 0.00 C ATOM 679 C LYS A 45 -21.128 -32.404 7.943 1.00 0.00 C ATOM 680 O LYS A 45 -22.248 -32.246 8.427 1.00 0.00 O ATOM 681 CB LYS A 45 -22.072 -34.303 6.618 1.00 0.00 C ATOM 682 CG LYS A 45 -22.866 -35.049 7.677 1.00 0.00 C ATOM 683 CD LYS A 45 -24.144 -35.638 7.104 1.00 0.00 C ATOM 684 CE LYS A 45 -23.917 -37.042 6.564 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.858 -38.054 7.655 1.00 0.00 N ATOM 0 H LYS A 45 -19.320 -35.122 7.482 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.154 -33.383 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.702 -33.527 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.817 -34.993 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.254 -35.846 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.111 -34.371 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.912 -35.664 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.516 -34.996 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.720 -37.299 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.987 -37.066 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.702 -38.997 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.076 -37.823 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.755 -38.049 8.182 1.00 0.00 H new ATOM 699 N VAL A 46 -20.152 -31.509 8.069 1.00 0.00 N ATOM 700 CA VAL A 46 -20.348 -30.263 8.800 1.00 0.00 C ATOM 701 C VAL A 46 -19.178 -29.310 8.585 1.00 0.00 C ATOM 702 O VAL A 46 -18.020 -29.727 8.569 1.00 0.00 O ATOM 703 CB VAL A 46 -20.518 -30.518 10.309 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.211 -31.002 10.920 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.009 -29.260 11.010 1.00 0.00 C ATOM 0 H VAL A 46 -19.219 -31.624 7.674 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.259 -29.808 8.411 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.266 -31.299 10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.351 -31.177 11.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.905 -31.930 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.439 -30.246 10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.124 -29.458 12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.286 -28.457 10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.970 -28.962 10.591 1.00 0.00 H new ATOM 715 N ARG A 47 -19.488 -28.028 8.420 1.00 0.00 N ATOM 716 CA ARG A 47 -18.462 -27.015 8.205 1.00 0.00 C ATOM 717 C ARG A 47 -18.022 -26.398 9.530 1.00 0.00 C ATOM 718 O ARG A 47 -18.842 -26.149 10.414 1.00 0.00 O ATOM 719 CB ARG A 47 -18.981 -25.923 7.268 1.00 0.00 C ATOM 720 CG ARG A 47 -19.110 -26.372 5.822 1.00 0.00 C ATOM 721 CD ARG A 47 -20.343 -27.238 5.615 1.00 0.00 C ATOM 722 NE ARG A 47 -21.063 -26.883 4.396 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.173 -27.492 3.994 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.687 -28.482 4.711 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.771 -27.112 2.872 1.00 0.00 N ATOM 0 H ARG A 47 -20.442 -27.666 8.431 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.600 -27.498 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.954 -25.584 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.309 -25.066 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.164 -25.499 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.219 -26.930 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.046 -28.286 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.008 -27.133 6.472 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.694 -26.126 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.230 -28.778 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.539 -28.948 4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.378 -26.351 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.623 -27.580 2.564 1.00 0.00 H new ATOM 739 N HIS A 48 -16.722 -26.152 9.659 1.00 0.00 N ATOM 740 CA HIS A 48 -16.173 -25.564 10.876 1.00 0.00 C ATOM 741 C HIS A 48 -15.331 -24.333 10.552 1.00 0.00 C ATOM 742 O HIS A 48 -14.736 -24.241 9.477 1.00 0.00 O ATOM 743 CB HIS A 48 -15.327 -26.591 11.628 1.00 0.00 C ATOM 744 CG HIS A 48 -15.219 -27.909 10.924 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.119 -28.936 11.108 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.309 -28.363 10.030 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.768 -29.966 10.359 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.673 -29.644 9.695 1.00 0.00 N ATOM 0 H HIS A 48 -16.030 -26.350 8.937 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.005 -25.257 11.509 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.326 -26.185 11.778 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.758 -26.751 12.616 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -16.930 -28.906 11.726 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.456 -27.819 9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.288 -30.911 10.300 1.00 0.00 H new ATOM 756 N LEU A 49 -15.285 -23.391 11.486 1.00 0.00 N ATOM 757 CA LEU A 49 -14.516 -22.165 11.300 1.00 0.00 C ATOM 758 C LEU A 49 -13.049 -22.384 11.655 1.00 0.00 C ATOM 759 O LEU A 49 -12.731 -22.986 12.681 1.00 0.00 O ATOM 760 CB LEU A 49 -15.098 -21.040 12.158 1.00 0.00 C ATOM 761 CG LEU A 49 -14.237 -19.783 12.289 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.142 -19.059 10.955 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.801 -18.860 13.359 1.00 0.00 C ATOM 0 H LEU A 49 -15.771 -23.452 12.381 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.578 -21.882 10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.063 -20.753 11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.287 -21.433 13.157 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.233 -20.083 12.588 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.525 -18.167 11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.692 -19.720 10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.140 -18.771 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.176 -17.971 13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.816 -18.567 13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.816 -19.380 14.317 1.00 0.00 H new ATOM 775 N ILE A 50 -12.159 -21.889 10.801 1.00 0.00 N ATOM 776 CA ILE A 50 -10.726 -22.027 11.026 1.00 0.00 C ATOM 777 C ILE A 50 -10.079 -20.673 11.299 1.00 0.00 C ATOM 778 O ILE A 50 -9.226 -20.547 12.177 1.00 0.00 O ATOM 779 CB ILE A 50 -10.027 -22.683 9.820 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.018 -22.873 8.670 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.414 -24.016 10.224 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.386 -23.424 7.412 1.00 0.00 C ATOM 0 H ILE A 50 -12.406 -21.389 9.947 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.604 -22.668 11.899 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.227 -22.025 9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.812 -23.547 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.486 -21.915 8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.924 -24.467 9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.681 -23.855 11.015 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.197 -24.682 10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.147 -23.532 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.611 -22.740 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.943 -24.397 7.624 1.00 0.00 H new ATOM 794 N ALA A 51 -10.492 -19.663 10.541 1.00 0.00 N ATOM 795 CA ALA A 51 -9.956 -18.317 10.703 1.00 0.00 C ATOM 796 C ALA A 51 -11.009 -17.263 10.378 1.00 0.00 C ATOM 797 O ALA A 51 -11.238 -16.939 9.212 1.00 0.00 O ATOM 798 CB ALA A 51 -8.729 -18.128 9.824 1.00 0.00 C ATOM 0 H ALA A 51 -11.196 -19.751 9.808 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.665 -18.192 11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.339 -17.118 9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.964 -18.852 10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.003 -18.278 8.780 1.00 0.00 H new ATOM 804 N ASP A 52 -11.649 -16.733 11.414 1.00 0.00 N ATOM 805 CA ASP A 52 -12.678 -15.715 11.239 1.00 0.00 C ATOM 806 C ASP A 52 -12.083 -14.315 11.348 1.00 0.00 C ATOM 807 O ASP A 52 -11.626 -13.905 12.415 1.00 0.00 O ATOM 808 CB ASP A 52 -13.786 -15.895 12.278 1.00 0.00 C ATOM 809 CG ASP A 52 -14.636 -14.650 12.439 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.379 -14.312 11.494 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.559 -14.014 13.511 1.00 0.00 O ATOM 0 H ASP A 52 -11.473 -16.992 12.385 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.103 -15.832 10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.422 -16.730 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.341 -16.154 13.239 1.00 0.00 H new ATOM 816 N HIS A 53 -12.090 -13.586 10.236 1.00 0.00 N ATOM 817 CA HIS A 53 -11.550 -12.232 10.207 1.00 0.00 C ATOM 818 C HIS A 53 -12.635 -11.222 9.845 1.00 0.00 C ATOM 819 O HIS A 53 -12.519 -10.034 10.152 1.00 0.00 O ATOM 820 CB HIS A 53 -10.398 -12.141 9.205 1.00 0.00 C ATOM 821 CG HIS A 53 -9.051 -12.030 9.850 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.507 -10.830 10.256 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.137 -12.979 10.159 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.317 -11.045 10.786 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.068 -12.342 10.739 1.00 0.00 N ATOM 0 H HIS A 53 -12.464 -13.910 9.344 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.175 -11.995 11.203 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.414 -13.023 8.565 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.555 -11.276 8.560 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.231 -14.040 9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.659 -10.289 11.189 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.220 -12.796 11.078 1.00 0.00 H new ATOM 833 N LEU A 54 -13.688 -11.701 9.193 1.00 0.00 N ATOM 834 CA LEU A 54 -14.794 -10.840 8.789 1.00 0.00 C ATOM 835 C LEU A 54 -15.883 -10.814 9.857 1.00 0.00 C ATOM 836 O LEU A 54 -16.839 -10.044 9.767 1.00 0.00 O ATOM 837 CB LEU A 54 -15.380 -11.319 7.459 1.00 0.00 C ATOM 838 CG LEU A 54 -14.395 -11.436 6.295 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.919 -12.408 5.249 1.00 0.00 C ATOM 840 CD2 LEU A 54 -14.137 -10.070 5.676 1.00 0.00 C ATOM 0 H LEU A 54 -13.800 -12.681 8.933 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.407 -9.828 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.841 -12.294 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.176 -10.634 7.168 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.451 -11.822 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.205 -12.479 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.052 -13.391 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.876 -12.051 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.434 -10.172 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.075 -9.655 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.717 -9.403 6.429 1.00 0.00 H new ATOM 852 N LYS A 55 -15.729 -11.659 10.871 1.00 0.00 N ATOM 853 CA LYS A 55 -16.696 -11.732 11.960 1.00 0.00 C ATOM 854 C LYS A 55 -18.115 -11.877 11.419 1.00 0.00 C ATOM 855 O LYS A 55 -19.028 -11.170 11.847 1.00 0.00 O ATOM 856 CB LYS A 55 -16.600 -10.484 12.839 1.00 0.00 C ATOM 857 CG LYS A 55 -15.299 -10.388 13.618 1.00 0.00 C ATOM 858 CD LYS A 55 -15.354 -9.285 14.662 1.00 0.00 C ATOM 859 CE LYS A 55 -15.563 -7.921 14.021 1.00 0.00 C ATOM 860 NZ LYS A 55 -14.540 -7.636 12.977 1.00 0.00 N ATOM 0 H LYS A 55 -14.943 -12.303 10.961 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.463 -12.611 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.704 -9.599 12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.435 -10.478 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.094 -11.341 14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.475 -10.198 12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.164 -9.486 15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.428 -9.280 15.237 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.557 -7.877 13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.523 -7.149 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.588 -6.632 12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.593 -7.850 13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.724 -8.226 12.141 1.00 0.00 H new ATOM 874 N ILE A 56 -18.294 -12.798 10.478 1.00 0.00 N ATOM 875 CA ILE A 56 -19.602 -13.037 9.881 1.00 0.00 C ATOM 876 C ILE A 56 -20.506 -13.815 10.832 1.00 0.00 C ATOM 877 O ILE A 56 -21.648 -13.426 11.076 1.00 0.00 O ATOM 878 CB ILE A 56 -19.483 -13.811 8.555 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.574 -13.060 7.580 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.859 -14.028 7.944 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.100 -13.908 6.421 1.00 0.00 C ATOM 0 H ILE A 56 -17.549 -13.391 10.113 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.042 -12.060 9.683 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.039 -14.785 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.109 -12.194 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.707 -12.682 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.759 -14.576 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.478 -14.600 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.328 -13.063 7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.460 -13.311 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.537 -14.761 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.961 -14.264 5.855 1.00 0.00 H new ATOM 893 N PHE A 57 -19.986 -14.914 11.367 1.00 0.00 N ATOM 894 CA PHE A 57 -20.746 -15.747 12.292 1.00 0.00 C ATOM 895 C PHE A 57 -20.740 -15.146 13.695 1.00 0.00 C ATOM 896 O PHE A 57 -21.571 -15.494 14.535 1.00 0.00 O ATOM 897 CB PHE A 57 -20.168 -17.163 12.329 1.00 0.00 C ATOM 898 CG PHE A 57 -20.044 -17.796 10.973 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.174 -18.128 10.243 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.797 -18.058 10.427 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.062 -18.712 8.995 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.680 -18.641 9.180 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.814 -18.967 8.462 1.00 0.00 C ATOM 0 H PHE A 57 -19.042 -15.249 11.176 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.776 -15.792 11.939 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.185 -17.133 12.798 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.802 -17.789 12.957 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.153 -17.928 10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.907 -17.803 10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.950 -18.969 8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.703 -18.842 8.767 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.725 -19.420 7.486 1.00 0.00 H new ATOM 913 N HIS A 58 -19.798 -14.242 13.941 1.00 0.00 N ATOM 914 CA HIS A 58 -19.683 -13.591 15.242 1.00 0.00 C ATOM 915 C HIS A 58 -20.953 -12.815 15.574 1.00 0.00 C ATOM 916 O HIS A 58 -21.207 -12.489 16.734 1.00 0.00 O ATOM 917 CB HIS A 58 -18.477 -12.652 15.261 1.00 0.00 C ATOM 918 CG HIS A 58 -18.215 -12.042 16.603 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.016 -10.690 16.789 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.121 -12.606 17.830 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.810 -10.450 18.072 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.869 -11.596 18.725 1.00 0.00 N ATOM 0 H HIS A 58 -19.103 -13.943 13.257 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.543 -14.364 15.997 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.592 -13.203 14.943 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.635 -11.856 14.534 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -18.225 -13.656 18.062 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.625 -9.481 18.512 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.747 -11.712 19.731 1.00 0.00 H new ATOM 930 N ASP A 59 -21.746 -12.521 14.550 1.00 0.00 N ATOM 931 CA ASP A 59 -22.990 -11.782 14.734 1.00 0.00 C ATOM 932 C ASP A 59 -24.124 -12.719 15.139 1.00 0.00 C ATOM 933 O ASP A 59 -25.273 -12.298 15.275 1.00 0.00 O ATOM 934 CB ASP A 59 -23.361 -11.038 13.450 1.00 0.00 C ATOM 935 CG ASP A 59 -22.568 -9.758 13.273 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.881 -8.766 13.964 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.634 -9.748 12.443 1.00 0.00 O ATOM 0 H ASP A 59 -21.550 -12.783 13.584 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.838 -11.057 15.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.189 -11.690 12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.425 -10.804 13.464 1.00 0.00 H new ATOM 942 N HIS A 60 -23.793 -13.992 15.329 1.00 0.00 N ATOM 943 CA HIS A 60 -24.784 -14.990 15.718 1.00 0.00 C ATOM 944 C HIS A 60 -26.150 -14.657 15.127 1.00 0.00 C ATOM 945 O HIS A 60 -27.170 -14.737 15.812 1.00 0.00 O ATOM 946 CB HIS A 60 -24.881 -15.075 17.241 1.00 0.00 C ATOM 947 CG HIS A 60 -25.647 -13.945 17.857 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.359 -12.626 17.946 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -26.866 -14.113 18.479 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.399 -12.026 18.612 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.296 -12.945 18.922 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.847 -14.357 15.220 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.464 -15.956 15.327 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.357 -16.017 17.514 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.875 -15.092 17.660 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.388 -15.052 18.587 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.472 -10.974 18.845 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.172 -12.781 19.419 1.00 0.00 H new ATOM 959 N HIS A 61 -26.163 -14.284 13.851 1.00 0.00 N ATOM 960 CA HIS A 61 -27.405 -13.939 13.168 1.00 0.00 C ATOM 961 C HIS A 61 -27.322 -14.284 11.684 1.00 0.00 C ATOM 962 O HIS A 61 -28.124 -13.808 10.880 1.00 0.00 O ATOM 963 CB HIS A 61 -27.711 -12.451 13.342 1.00 0.00 C ATOM 964 CG HIS A 61 -28.567 -12.151 14.534 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.246 -12.011 15.841 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.930 -11.960 14.453 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.408 -11.739 16.519 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.410 -11.713 15.658 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.328 -14.213 13.269 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.211 -14.522 13.614 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.773 -11.904 13.432 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -28.210 -12.084 12.445 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.514 -12.005 13.546 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.490 -11.573 17.583 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.388 -11.533 15.886 1.00 0.00 H new ATOM 976 N VAL A 62 -26.346 -15.113 11.328 1.00 0.00 N ATOM 977 CA VAL A 62 -26.159 -15.522 9.941 1.00 0.00 C ATOM 978 C VAL A 62 -25.864 -17.014 9.842 1.00 0.00 C ATOM 979 O VAL A 62 -25.089 -17.559 10.629 1.00 0.00 O ATOM 980 CB VAL A 62 -25.013 -14.738 9.274 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.675 -15.123 9.889 1.00 0.00 C ATOM 982 CG2 VAL A 62 -25.006 -14.978 7.772 1.00 0.00 C ATOM 0 H VAL A 62 -25.673 -15.514 11.981 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.091 -15.304 9.419 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.175 -13.674 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.877 -14.560 9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.686 -14.896 10.955 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.503 -16.190 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.190 -14.416 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.869 -16.041 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.954 -14.649 7.347 1.00 0.00 H new ATOM 992 N THR A 63 -26.488 -17.673 8.870 1.00 0.00 N ATOM 993 CA THR A 63 -26.294 -19.103 8.668 1.00 0.00 C ATOM 994 C THR A 63 -25.348 -19.370 7.504 1.00 0.00 C ATOM 995 O THR A 63 -25.148 -18.512 6.644 1.00 0.00 O ATOM 996 CB THR A 63 -27.631 -19.820 8.404 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.413 -21.228 8.264 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.297 -19.277 7.148 1.00 0.00 C ATOM 0 H THR A 63 -27.133 -17.238 8.210 1.00 0.00 H new ATOM 0 HA THR A 63 -25.856 -19.495 9.586 1.00 0.00 H new ATOM 0 HB THR A 63 -28.290 -19.638 9.253 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.268 -21.677 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.240 -19.798 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.489 -18.211 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.640 -19.432 6.292 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.768 -20.566 7.481 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.843 -20.947 6.420 1.00 0.00 C ATOM 1008 C VAL A 64 -24.491 -20.802 5.048 1.00 0.00 C ATOM 1009 O VAL A 64 -23.819 -20.499 4.062 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.356 -22.398 6.594 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -24.501 -23.376 6.373 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.204 -22.691 5.645 1.00 0.00 C ATOM 0 H VAL A 64 -24.922 -21.288 8.185 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.988 -20.274 6.488 1.00 0.00 H new ATOM 0 HB VAL A 64 -22.996 -22.522 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.138 -24.396 6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.292 -23.180 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.894 -23.254 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.873 -23.720 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.535 -22.550 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.377 -22.013 5.856 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.802 -21.018 4.992 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.541 -20.911 3.740 1.00 0.00 C ATOM 1024 C GLU A 65 -26.554 -19.471 3.237 1.00 0.00 C ATOM 1025 O GLU A 65 -26.457 -19.221 2.036 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.975 -21.412 3.924 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.067 -22.739 4.657 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.338 -23.499 4.331 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.334 -22.851 3.944 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.338 -24.741 4.462 1.00 0.00 O ATOM 0 H GLU A 65 -26.373 -21.268 5.799 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.039 -21.532 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.545 -20.663 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.444 -21.514 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.204 -23.353 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.020 -22.560 5.731 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.674 -18.527 4.165 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.701 -17.112 3.817 1.00 0.00 C ATOM 1039 C GLN A 66 -25.384 -16.683 3.180 1.00 0.00 C ATOM 1040 O GLN A 66 -25.370 -15.957 2.185 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.981 -16.264 5.059 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.461 -16.101 5.364 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.721 -15.115 6.486 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.118 -15.500 7.586 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.496 -13.835 6.214 1.00 0.00 N ATOM 0 H GLN A 66 -26.754 -18.717 5.164 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.501 -16.957 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.490 -16.720 5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.536 -15.278 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.979 -15.767 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.882 -17.070 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.167 -13.560 5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.652 -13.126 6.931 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.277 -17.136 3.759 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.953 -16.799 3.248 1.00 0.00 C ATOM 1056 C LEU A 67 -22.808 -17.223 1.790 1.00 0.00 C ATOM 1057 O LEU A 67 -22.174 -16.532 0.993 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.872 -17.471 4.096 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.387 -16.683 5.313 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -22.222 -17.026 6.537 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.914 -16.958 5.575 1.00 0.00 C ATOM 0 H LEU A 67 -24.270 -17.738 4.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.832 -15.717 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.253 -18.433 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.014 -17.678 3.457 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.505 -15.620 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.863 -16.456 7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.266 -16.776 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.137 -18.092 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.587 -16.388 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.770 -18.022 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.328 -16.661 4.705 1.00 0.00 H new ATOM 1073 N MET A 68 -23.402 -18.361 1.447 1.00 0.00 N ATOM 1074 CA MET A 68 -23.342 -18.874 0.084 1.00 0.00 C ATOM 1075 C MET A 68 -24.215 -18.042 -0.850 1.00 0.00 C ATOM 1076 O MET A 68 -23.832 -17.756 -1.984 1.00 0.00 O ATOM 1077 CB MET A 68 -23.787 -20.338 0.047 1.00 0.00 C ATOM 1078 CG MET A 68 -22.826 -21.283 0.750 1.00 0.00 C ATOM 1079 SD MET A 68 -22.669 -22.868 -0.094 1.00 0.00 S ATOM 1080 CE MET A 68 -22.547 -23.984 1.301 1.00 0.00 C ATOM 0 H MET A 68 -23.931 -18.946 2.095 1.00 0.00 H new ATOM 0 HA MET A 68 -22.309 -18.806 -0.257 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.770 -20.422 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.896 -20.650 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.845 -20.813 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.170 -21.452 1.771 1.00 0.00 H new ATOM 0 HE1 MET A 68 -21.768 -24.722 1.109 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.298 -23.418 2.199 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.501 -24.492 1.445 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.555 -26.323 0.959 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.619 -25.339 1.489 1.00 0.00 C ATOM 1256 C ASP A 81 -15.775 -24.001 0.772 1.00 0.00 C ATOM 1257 O ASP A 81 -15.908 -23.951 -0.451 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.182 -25.843 1.347 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.163 -24.726 1.462 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.863 -24.089 0.431 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.664 -24.490 2.583 1.00 0.00 O ATOM 0 HA ASP A 81 -15.842 -25.193 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.985 -26.591 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.067 -26.338 0.383 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.758 -22.918 1.542 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.899 -21.579 0.981 1.00 0.00 C ATOM 1268 C LEU A 82 -14.935 -20.604 1.652 1.00 0.00 C ATOM 1269 O LEU A 82 -14.619 -20.743 2.833 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.337 -21.085 1.144 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.928 -20.336 -0.051 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.431 -20.171 0.113 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.256 -18.981 -0.217 1.00 0.00 C ATOM 0 H LEU A 82 -15.648 -22.941 2.556 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.657 -21.629 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.973 -21.944 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.379 -20.430 2.015 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.743 -20.923 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.834 -19.636 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.899 -21.153 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.638 -19.606 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.689 -18.462 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -17.409 -18.386 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.188 -19.122 -0.382 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.475 -19.617 0.890 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.549 -18.618 1.412 1.00 0.00 C ATOM 1287 C GLU A 83 -14.071 -17.207 1.158 1.00 0.00 C ATOM 1288 O GLU A 83 -14.597 -16.911 0.085 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.169 -18.786 0.772 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.217 -18.989 -0.733 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.357 -20.449 -1.121 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.764 -21.304 -0.431 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.058 -20.735 -2.114 1.00 0.00 O ATOM 0 H GLU A 83 -14.728 -19.487 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.463 -18.767 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.566 -17.905 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.667 -19.639 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.054 -18.426 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.309 -18.584 -1.180 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.923 -16.340 2.154 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.381 -14.960 2.041 1.00 0.00 C ATOM 1302 C PHE A 84 -13.276 -13.986 2.440 1.00 0.00 C ATOM 1303 O PHE A 84 -12.662 -14.127 3.497 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.614 -14.736 2.918 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.674 -15.785 2.740 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.607 -15.681 1.720 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.738 -16.876 3.592 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.584 -16.644 1.556 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.713 -17.843 3.432 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.636 -17.727 2.411 1.00 0.00 C ATOM 0 H PHE A 84 -13.489 -16.568 3.049 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.646 -14.776 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.307 -14.714 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.039 -13.759 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.570 -14.838 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.017 -16.972 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.307 -16.550 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.753 -18.687 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.397 -18.482 2.282 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.028 -12.999 1.584 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.996 -12.003 1.847 1.00 0.00 C ATOM 1322 C GLU A 85 -12.607 -10.611 1.989 1.00 0.00 C ATOM 1323 O GLU A 85 -11.988 -9.704 2.546 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.958 -12.003 0.723 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.565 -12.086 -0.667 1.00 0.00 C ATOM 1326 CD GLU A 85 -12.353 -10.843 -1.034 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -11.747 -9.754 -1.100 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -13.576 -10.961 -1.256 1.00 0.00 O ATOM 0 H GLU A 85 -13.527 -12.868 0.704 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.506 -12.264 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.358 -11.096 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.281 -12.845 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.771 -12.237 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.219 -12.956 -0.723 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.824 -10.451 1.481 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.520 -9.172 1.552 1.00 0.00 C ATOM 1337 C ASP A 86 -16.031 -9.371 1.500 1.00 0.00 C ATOM 1338 O ASP A 86 -16.625 -9.415 0.422 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.073 -8.261 0.407 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.590 -6.844 0.559 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -14.545 -6.314 1.689 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.038 -6.264 -0.452 1.00 0.00 O ATOM 0 H ASP A 86 -14.349 -11.191 1.015 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.267 -8.701 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.984 -8.245 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.424 -8.673 -0.539 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.647 -9.492 2.671 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.089 -9.687 2.759 1.00 0.00 C ATOM 1349 C ILE A 87 -18.840 -8.544 2.084 1.00 0.00 C ATOM 1350 O ILE A 87 -18.339 -7.427 1.960 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.554 -9.799 4.223 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.962 -8.661 5.057 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.159 -11.149 4.802 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.582 -8.533 6.431 1.00 0.00 C ATOM 0 H ILE A 87 -16.170 -9.458 3.572 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.313 -10.621 2.243 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.641 -9.718 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.889 -8.820 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.092 -7.722 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.494 -11.213 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.624 -11.945 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.075 -11.258 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.114 -7.707 6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.651 -8.342 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.429 -9.458 6.987 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.073 -8.828 1.639 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.921 -7.837 0.971 1.00 0.00 C ATOM 1368 C PRO A 88 -21.410 -6.754 1.927 1.00 0.00 C ATOM 1369 O PRO A 88 -20.958 -6.671 3.070 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.100 -8.667 0.456 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.157 -9.847 1.364 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.734 -10.139 1.753 1.00 0.00 C ATOM 0 HA PRO A 88 -20.383 -7.303 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.029 -8.098 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.948 -8.971 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.766 -9.634 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.608 -10.703 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.668 -10.536 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.280 -10.877 1.092 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.335 -5.927 1.454 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.887 -4.850 2.268 1.00 0.00 C ATOM 1382 C ASP A 89 -24.309 -5.178 2.712 1.00 0.00 C ATOM 1383 O ASP A 89 -24.793 -4.654 3.716 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.873 -3.534 1.488 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.465 -2.385 2.281 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -22.881 -2.021 3.323 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -24.512 -1.851 1.860 1.00 0.00 O ATOM 0 H ASP A 89 -22.719 -5.981 0.511 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.264 -4.743 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -21.847 -3.290 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.433 -3.658 0.561 1.00 0.00 H new ATOM 1392 N SER A 90 -24.974 -6.046 1.957 1.00 0.00 N ATOM 1393 CA SER A 90 -26.342 -6.440 2.269 1.00 0.00 C ATOM 1394 C SER A 90 -26.385 -7.310 3.522 1.00 0.00 C ATOM 1395 O SER A 90 -27.374 -7.315 4.256 1.00 0.00 O ATOM 1396 CB SER A 90 -26.960 -7.194 1.091 1.00 0.00 C ATOM 1397 OG SER A 90 -26.983 -6.388 -0.075 1.00 0.00 O ATOM 0 H SER A 90 -24.587 -6.490 1.124 1.00 0.00 H new ATOM 0 HA SER A 90 -26.920 -5.535 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.390 -8.103 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.975 -7.502 1.344 1.00 0.00 H new ATOM 0 HG SER A 90 -27.381 -6.893 -0.814 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.304 -8.045 3.761 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.216 -8.919 4.925 1.00 0.00 C ATOM 1405 C LEU A 91 -24.960 -8.113 6.194 1.00 0.00 C ATOM 1406 O LEU A 91 -25.753 -8.146 7.135 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.103 -9.951 4.730 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.387 -11.060 3.716 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.214 -12.024 3.638 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.665 -11.800 4.079 1.00 0.00 C ATOM 0 H LEU A 91 -24.477 -8.053 3.164 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.169 -9.437 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.199 -9.427 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.890 -10.413 5.694 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.522 -10.604 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.434 -12.806 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.319 -11.484 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.047 -12.474 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.851 -12.585 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.560 -12.244 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.502 -11.101 4.082 1.00 0.00 H new