USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 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 16 CYS SG : rot 150:sc= -5.18! USER MOD Set 1.2: A 78 CYS SG : rot 147:sc= -1.31! USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= 0.679 (180deg=0.334) USER MOD Single : A 17 MET CE :methyl 176:sc= -0.0552 (180deg=-0.103) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.15) USER MOD Single : A 29 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.15) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -120:sc= 0 USER MOD Single : A 37 MET CE :methyl 169:sc= -0.528 (180deg=-0.681) USER MOD Single : A 39 MET CE :methyl 159:sc= -0.882 (180deg=-2.52) USER MOD Single : A 41 THR OG1 : rot 75:sc= 0.687 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.172 (180deg=-0.322) USER MOD Single : A 45 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 1.29 (180deg=1.29) USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.477 USER MOD Single : A 56 MET CE :methyl 153:sc= -0.536 (180deg=-1.73!) USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= 0.865 (180deg=0.75) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.7) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 2.45 (180deg=2.35) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.881 -30.390 -23.692 1.00 0.00 N ATOM 159 CA GLU A 12 28.019 -29.864 -24.459 1.00 0.00 C ATOM 160 C GLU A 12 27.577 -28.698 -25.353 1.00 0.00 C ATOM 161 O GLU A 12 28.090 -27.578 -25.267 1.00 0.00 O ATOM 162 CB GLU A 12 28.760 -30.952 -25.251 1.00 0.00 C ATOM 163 CG GLU A 12 29.911 -30.377 -26.095 1.00 0.00 C ATOM 164 CD GLU A 12 29.485 -30.157 -27.539 1.00 0.00 C ATOM 165 OE1 GLU A 12 29.209 -31.152 -28.238 1.00 0.00 O ATOM 166 OE2 GLU A 12 29.419 -28.990 -27.982 1.00 0.00 O ATOM 0 HA GLU A 12 28.743 -29.482 -23.740 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.156 -31.696 -24.560 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.055 -31.467 -25.904 1.00 0.00 H new ATOM 0 HG2 GLU A 12 30.243 -29.432 -25.664 1.00 0.00 H new ATOM 0 HG3 GLU A 12 30.762 -31.058 -26.065 1.00 0.00 H new ATOM 173 N LYS A 13 26.537 -28.951 -26.144 1.00 0.00 N ATOM 174 CA LYS A 13 26.001 -27.901 -26.998 1.00 0.00 C ATOM 175 C LYS A 13 25.535 -26.678 -26.219 1.00 0.00 C ATOM 176 O LYS A 13 26.032 -25.572 -26.442 1.00 0.00 O ATOM 177 CB LYS A 13 24.882 -28.410 -27.926 1.00 0.00 C ATOM 178 CG LYS A 13 24.757 -27.570 -29.209 1.00 0.00 C ATOM 179 CD LYS A 13 24.005 -26.251 -28.978 1.00 0.00 C ATOM 180 CE LYS A 13 22.490 -26.465 -28.946 1.00 0.00 C ATOM 181 NZ LYS A 13 21.832 -25.292 -28.336 1.00 0.00 N ATOM 0 H LYS A 13 26.061 -29.850 -26.210 1.00 0.00 H new ATOM 0 HA LYS A 13 26.838 -27.588 -27.622 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.079 -29.448 -28.193 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.933 -28.393 -27.390 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.753 -27.354 -29.596 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.238 -28.152 -29.971 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.330 -25.806 -28.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.257 -25.545 -29.769 1.00 0.00 H new ATOM 0 HE2 LYS A 13 22.114 -26.619 -29.957 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.252 -27.364 -28.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.875 -25.187 -28.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.770 -25.425 -27.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.387 -24.437 -28.542 1.00 0.00 H new ATOM 195 N ASP A 14 24.571 -26.837 -25.309 1.00 0.00 N ATOM 196 CA ASP A 14 24.015 -25.628 -24.717 1.00 0.00 C ATOM 197 C ASP A 14 24.998 -24.895 -23.806 1.00 0.00 C ATOM 198 O ASP A 14 25.020 -23.668 -23.762 1.00 0.00 O ATOM 199 CB ASP A 14 22.658 -25.852 -24.046 1.00 0.00 C ATOM 200 CG ASP A 14 21.663 -24.757 -24.415 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.206 -24.730 -25.580 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.348 -23.913 -23.549 1.00 0.00 O ATOM 0 H ASP A 14 24.184 -27.724 -24.986 1.00 0.00 H new ATOM 0 HA ASP A 14 23.829 -24.962 -25.560 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.260 -26.822 -24.344 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.786 -25.879 -22.964 1.00 0.00 H new ATOM 207 N GLU A 15 25.853 -25.632 -23.107 1.00 0.00 N ATOM 208 CA GLU A 15 26.886 -24.964 -22.305 1.00 0.00 C ATOM 209 C GLU A 15 27.847 -24.118 -23.131 1.00 0.00 C ATOM 210 O GLU A 15 28.060 -22.937 -22.853 1.00 0.00 O ATOM 211 CB GLU A 15 27.710 -25.948 -21.459 1.00 0.00 C ATOM 212 CG GLU A 15 26.973 -26.380 -20.183 1.00 0.00 C ATOM 213 CD GLU A 15 27.683 -25.881 -18.934 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.536 -24.687 -18.594 1.00 0.00 O ATOM 215 OE2 GLU A 15 28.389 -26.682 -18.283 1.00 0.00 O ATOM 0 H GLU A 15 25.860 -26.651 -23.073 1.00 0.00 H new ATOM 0 HA GLU A 15 26.320 -24.304 -21.648 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.944 -26.829 -22.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.659 -25.485 -21.188 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.954 -25.994 -20.202 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.902 -27.467 -20.153 1.00 0.00 H new ATOM 222 N CYS A 16 28.439 -24.719 -24.154 1.00 0.00 N ATOM 223 CA CYS A 16 29.498 -23.953 -24.877 1.00 0.00 C ATOM 224 C CYS A 16 28.855 -22.844 -25.745 1.00 0.00 C ATOM 225 O CYS A 16 29.456 -21.782 -25.897 1.00 0.00 O ATOM 226 CB CYS A 16 30.331 -24.874 -25.807 1.00 0.00 C ATOM 227 SG CYS A 16 31.615 -23.844 -26.586 1.00 0.00 S ATOM 0 H CYS A 16 28.241 -25.659 -24.498 1.00 0.00 H new ATOM 0 HA CYS A 16 30.153 -23.518 -24.123 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.783 -25.686 -25.238 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.694 -25.332 -26.564 1.00 0.00 H new ATOM 0 HG CYS A 16 32.668 -24.568 -26.822 1.00 0.00 H new ATOM 233 N MET A 17 27.647 -23.023 -26.311 1.00 0.00 N ATOM 234 CA MET A 17 27.026 -21.860 -26.989 1.00 0.00 C ATOM 235 C MET A 17 26.449 -20.834 -25.988 1.00 0.00 C ATOM 236 O MET A 17 26.326 -19.651 -26.304 1.00 0.00 O ATOM 237 CB MET A 17 25.987 -22.140 -28.091 1.00 0.00 C ATOM 238 CG MET A 17 26.036 -21.038 -29.182 1.00 0.00 C ATOM 239 SD MET A 17 26.646 -21.680 -30.772 1.00 0.00 S ATOM 240 CE MET A 17 28.095 -20.617 -31.097 1.00 0.00 C ATOM 0 H MET A 17 27.111 -23.891 -26.319 1.00 0.00 H new ATOM 0 HA MET A 17 27.884 -21.448 -27.520 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.180 -23.114 -28.541 1.00 0.00 H new ATOM 0 HB3 MET A 17 24.989 -22.183 -27.655 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.039 -20.619 -29.319 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.681 -20.225 -28.848 1.00 0.00 H new ATOM 0 HE1 MET A 17 28.597 -20.954 -32.004 1.00 0.00 H new ATOM 0 HE2 MET A 17 27.768 -19.585 -31.226 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.786 -20.676 -30.256 1.00 0.00 H new ATOM 250 N LYS A 18 26.072 -21.268 -24.780 1.00 0.00 N ATOM 251 CA LYS A 18 25.618 -20.300 -23.777 1.00 0.00 C ATOM 252 C LYS A 18 26.752 -19.395 -23.300 1.00 0.00 C ATOM 253 O LYS A 18 26.575 -18.189 -23.144 1.00 0.00 O ATOM 254 CB LYS A 18 24.907 -20.953 -22.584 1.00 0.00 C ATOM 255 CG LYS A 18 23.928 -19.991 -21.901 1.00 0.00 C ATOM 256 CD LYS A 18 22.510 -20.199 -22.449 1.00 0.00 C ATOM 257 CE LYS A 18 21.639 -21.001 -21.475 1.00 0.00 C ATOM 258 NZ LYS A 18 22.045 -22.420 -21.477 1.00 0.00 N ATOM 0 H LYS A 18 26.071 -22.243 -24.481 1.00 0.00 H new ATOM 0 HA LYS A 18 24.879 -19.681 -24.286 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.368 -21.838 -22.923 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.649 -21.290 -21.860 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.937 -20.156 -20.824 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.243 -18.961 -22.068 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.047 -19.231 -22.639 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.562 -20.720 -23.405 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.732 -20.590 -20.470 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.590 -20.915 -21.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.506 -22.936 -20.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.854 -22.834 -22.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.061 -22.491 -21.268 1.00 0.00 H new ATOM 272 N ILE A 19 27.924 -19.969 -23.040 1.00 0.00 N ATOM 273 CA ILE A 19 29.085 -19.105 -22.787 1.00 0.00 C ATOM 274 C ILE A 19 29.564 -18.382 -24.044 1.00 0.00 C ATOM 275 O ILE A 19 30.203 -17.338 -23.977 1.00 0.00 O ATOM 276 CB ILE A 19 30.246 -19.785 -22.077 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.209 -18.729 -21.534 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.962 -20.800 -22.977 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.957 -19.239 -20.307 1.00 0.00 C ATOM 0 H ILE A 19 28.097 -20.973 -22.999 1.00 0.00 H new ATOM 0 HA ILE A 19 28.705 -18.361 -22.087 1.00 0.00 H new ATOM 0 HB ILE A 19 29.846 -20.356 -21.239 1.00 0.00 H new ATOM 0 HG12 ILE A 19 31.924 -18.453 -22.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.655 -17.827 -21.275 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.783 -21.259 -22.426 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.257 -21.571 -23.288 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.355 -20.292 -23.857 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.633 -18.465 -19.945 1.00 0.00 H new ATOM 0 HD12 ILE A 19 31.242 -19.491 -19.524 1.00 0.00 H new ATOM 0 HD13 ILE A 19 32.531 -20.126 -20.574 1.00 0.00 H new ATOM 291 N PHE A 20 29.319 -18.965 -25.206 1.00 0.00 N ATOM 292 CA PHE A 20 29.524 -18.195 -26.428 1.00 0.00 C ATOM 293 C PHE A 20 28.666 -16.917 -26.403 1.00 0.00 C ATOM 294 O PHE A 20 29.139 -15.827 -26.704 1.00 0.00 O ATOM 295 CB PHE A 20 29.293 -19.047 -27.693 1.00 0.00 C ATOM 296 CG PHE A 20 30.060 -18.518 -28.888 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.781 -17.268 -29.327 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.212 -19.120 -29.286 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.771 -16.500 -29.833 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.180 -18.372 -29.874 1.00 0.00 C ATOM 301 CZ PHE A 20 32.000 -17.035 -30.014 1.00 0.00 C ATOM 0 H PHE A 20 28.993 -19.923 -25.332 1.00 0.00 H new ATOM 0 HA PHE A 20 30.569 -17.887 -26.470 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.595 -20.076 -27.496 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.228 -19.066 -27.926 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.772 -16.887 -29.273 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.355 -20.180 -29.136 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.583 -15.468 -30.091 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.088 -18.838 -30.228 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.835 -16.400 -30.269 1.00 0.00 H new ATOM 311 N ASP A 21 27.428 -17.046 -25.939 1.00 0.00 N ATOM 312 CA ASP A 21 26.565 -15.862 -25.785 1.00 0.00 C ATOM 313 C ASP A 21 26.935 -14.967 -24.586 1.00 0.00 C ATOM 314 O ASP A 21 26.865 -13.739 -24.650 1.00 0.00 O ATOM 315 CB ASP A 21 25.096 -16.293 -25.680 1.00 0.00 C ATOM 316 CG ASP A 21 24.139 -15.233 -26.211 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.870 -15.223 -27.432 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.637 -14.417 -25.408 1.00 0.00 O ATOM 0 H ASP A 21 27.000 -17.931 -25.667 1.00 0.00 H new ATOM 0 HA ASP A 21 26.723 -15.256 -26.677 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.952 -17.220 -26.236 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.856 -16.505 -24.638 1.00 0.00 H new ATOM 323 N ILE A 22 27.326 -15.591 -23.479 1.00 0.00 N ATOM 324 CA ILE A 22 27.741 -14.784 -22.306 1.00 0.00 C ATOM 325 C ILE A 22 29.104 -14.110 -22.533 1.00 0.00 C ATOM 326 O ILE A 22 29.284 -12.917 -22.290 1.00 0.00 O ATOM 327 CB ILE A 22 27.766 -15.505 -20.923 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.396 -16.078 -20.522 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.199 -14.514 -19.835 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.569 -17.178 -19.469 1.00 0.00 C ATOM 0 H ILE A 22 27.369 -16.603 -23.357 1.00 0.00 H new ATOM 0 HA ILE A 22 26.937 -14.051 -22.239 1.00 0.00 H new ATOM 0 HB ILE A 22 28.469 -16.333 -21.017 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.763 -15.283 -20.127 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.891 -16.481 -21.400 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.216 -15.019 -18.869 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.195 -14.135 -20.064 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.494 -13.683 -19.798 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.592 -17.575 -19.194 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.184 -17.979 -19.878 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.054 -16.763 -18.585 1.00 0.00 H new ATOM 342 N PHE A 23 30.077 -14.899 -22.968 1.00 0.00 N ATOM 343 CA PHE A 23 31.427 -14.351 -23.150 1.00 0.00 C ATOM 344 C PHE A 23 31.580 -13.559 -24.452 1.00 0.00 C ATOM 345 O PHE A 23 32.497 -12.746 -24.583 1.00 0.00 O ATOM 346 CB PHE A 23 32.519 -15.420 -23.015 1.00 0.00 C ATOM 347 CG PHE A 23 32.813 -15.800 -21.557 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.866 -15.652 -20.591 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.996 -16.390 -21.242 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.132 -15.998 -19.312 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.266 -16.712 -19.952 1.00 0.00 C ATOM 352 CZ PHE A 23 33.304 -16.591 -19.006 1.00 0.00 C ATOM 0 H PHE A 23 29.971 -15.887 -23.196 1.00 0.00 H new ATOM 0 HA PHE A 23 31.565 -13.643 -22.333 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.215 -16.312 -23.563 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.435 -15.056 -23.481 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.895 -15.255 -20.848 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.719 -16.602 -22.016 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.407 -15.800 -18.536 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.249 -17.065 -19.679 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.475 -16.969 -18.009 1.00 0.00 H new ATOM 362 N ASP A 24 30.721 -13.798 -25.449 1.00 0.00 N ATOM 363 CA ASP A 24 30.662 -12.837 -26.550 1.00 0.00 C ATOM 364 C ASP A 24 30.128 -11.467 -26.060 1.00 0.00 C ATOM 365 O ASP A 24 30.388 -10.421 -26.648 1.00 0.00 O ATOM 366 CB ASP A 24 29.928 -13.329 -27.812 1.00 0.00 C ATOM 367 CG ASP A 24 28.401 -13.259 -27.767 1.00 0.00 C ATOM 368 OD1 ASP A 24 27.843 -12.287 -27.215 1.00 0.00 O ATOM 369 OD2 ASP A 24 27.753 -14.158 -28.346 1.00 0.00 O ATOM 0 H ASP A 24 30.093 -14.599 -25.517 1.00 0.00 H new ATOM 0 HA ASP A 24 31.694 -12.715 -26.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 30.274 -12.742 -28.662 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.220 -14.363 -27.999 1.00 0.00 H new ATOM 437 N ASN A 29 32.149 -11.248 -29.255 1.00 0.00 N ATOM 438 CA ASN A 29 32.527 -12.445 -30.020 1.00 0.00 C ATOM 439 C ASN A 29 34.027 -12.744 -30.016 1.00 0.00 C ATOM 440 O ASN A 29 34.581 -13.159 -31.029 1.00 0.00 O ATOM 441 CB ASN A 29 31.962 -12.422 -31.456 1.00 0.00 C ATOM 442 CG ASN A 29 30.440 -12.595 -31.505 1.00 0.00 C ATOM 443 OD1 ASN A 29 29.926 -13.537 -32.105 1.00 0.00 O ATOM 444 ND2 ASN A 29 29.691 -11.685 -30.905 1.00 0.00 N ATOM 0 HA ASN A 29 32.060 -13.273 -29.487 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.230 -11.478 -31.931 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.431 -13.216 -32.038 1.00 0.00 H new ATOM 0 HD21 ASN A 29 28.674 -11.760 -30.937 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.130 -10.908 -30.411 1.00 0.00 H new ATOM 451 N ILE A 30 34.706 -12.501 -28.897 1.00 0.00 N ATOM 452 CA ILE A 30 36.103 -12.943 -28.792 1.00 0.00 C ATOM 453 C ILE A 30 36.430 -13.363 -27.349 1.00 0.00 C ATOM 454 O ILE A 30 36.395 -12.561 -26.413 1.00 0.00 O ATOM 455 CB ILE A 30 37.172 -12.007 -29.404 1.00 0.00 C ATOM 456 CG1 ILE A 30 37.466 -10.823 -28.457 1.00 0.00 C ATOM 457 CG2 ILE A 30 36.771 -11.494 -30.795 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.260 -9.697 -29.127 1.00 0.00 C ATOM 0 H ILE A 30 34.335 -12.020 -28.078 1.00 0.00 H new ATOM 0 HA ILE A 30 36.168 -13.816 -29.442 1.00 0.00 H new ATOM 0 HB ILE A 30 38.080 -12.598 -29.527 1.00 0.00 H new ATOM 0 HG12 ILE A 30 36.524 -10.422 -28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.022 -11.187 -27.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.554 -10.841 -31.182 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.637 -12.339 -31.470 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.837 -10.937 -30.722 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.433 -8.896 -28.408 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.217 -10.085 -29.476 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.695 -9.308 -29.974 1.00 0.00 H new ATOM 470 N ALA A 31 36.726 -14.646 -27.168 1.00 0.00 N ATOM 471 CA ALA A 31 37.031 -15.137 -25.813 1.00 0.00 C ATOM 472 C ALA A 31 38.481 -15.646 -25.709 1.00 0.00 C ATOM 473 O ALA A 31 38.822 -16.670 -26.298 1.00 0.00 O ATOM 474 CB ALA A 31 36.061 -16.241 -25.384 1.00 0.00 C ATOM 0 H ALA A 31 36.763 -15.348 -27.907 1.00 0.00 H new ATOM 0 HA ALA A 31 36.912 -14.289 -25.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.316 -16.579 -24.380 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.043 -15.852 -25.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 36.133 -17.078 -26.078 1.00 0.00 H new ATOM 480 N PRO A 32 39.344 -15.004 -24.909 1.00 0.00 N ATOM 481 CA PRO A 32 40.766 -15.388 -24.931 1.00 0.00 C ATOM 482 C PRO A 32 41.081 -16.506 -23.918 1.00 0.00 C ATOM 483 O PRO A 32 40.189 -17.122 -23.335 1.00 0.00 O ATOM 484 CB PRO A 32 41.507 -14.080 -24.611 1.00 0.00 C ATOM 485 CG PRO A 32 40.465 -13.107 -24.058 1.00 0.00 C ATOM 486 CD PRO A 32 39.110 -13.607 -24.544 1.00 0.00 C ATOM 0 HA PRO A 32 41.070 -15.809 -25.890 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.300 -14.253 -23.883 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.979 -13.674 -25.506 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.500 -13.077 -22.969 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.654 -12.093 -24.411 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.353 -13.522 -23.765 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.756 -13.028 -25.397 1.00 0.00 H new ATOM 494 N VAL A 33 42.371 -16.805 -23.745 1.00 0.00 N ATOM 495 CA VAL A 33 42.768 -17.824 -22.731 1.00 0.00 C ATOM 496 C VAL A 33 42.153 -17.572 -21.348 1.00 0.00 C ATOM 497 O VAL A 33 41.571 -18.469 -20.736 1.00 0.00 O ATOM 498 CB VAL A 33 44.302 -17.994 -22.569 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.780 -19.285 -23.235 1.00 0.00 C ATOM 500 CG2 VAL A 33 45.085 -16.799 -23.128 1.00 0.00 C ATOM 0 H VAL A 33 43.142 -16.384 -24.263 1.00 0.00 H new ATOM 0 HA VAL A 33 42.364 -18.750 -23.140 1.00 0.00 H new ATOM 0 HB VAL A 33 44.498 -18.046 -21.498 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.858 -19.382 -23.108 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.282 -20.138 -22.774 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.541 -19.256 -24.298 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.153 -16.967 -22.990 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.869 -16.688 -24.191 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.790 -15.892 -22.601 1.00 0.00 H new ATOM 510 N SER A 34 42.310 -16.358 -20.831 1.00 0.00 N ATOM 511 CA SER A 34 41.681 -16.037 -19.539 1.00 0.00 C ATOM 512 C SER A 34 40.172 -16.332 -19.513 1.00 0.00 C ATOM 513 O SER A 34 39.628 -16.792 -18.509 1.00 0.00 O ATOM 514 CB SER A 34 41.956 -14.599 -19.089 1.00 0.00 C ATOM 515 OG SER A 34 41.380 -13.680 -20.009 1.00 0.00 O ATOM 0 H SER A 34 42.844 -15.602 -21.260 1.00 0.00 H new ATOM 0 HA SER A 34 42.155 -16.707 -18.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.543 -14.436 -18.094 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.031 -14.431 -19.020 1.00 0.00 H new ATOM 0 HG SER A 34 41.560 -12.764 -19.712 1.00 0.00 H new ATOM 521 N ASP A 35 39.497 -16.067 -20.627 1.00 0.00 N ATOM 522 CA ASP A 35 38.101 -16.486 -20.744 1.00 0.00 C ATOM 523 C ASP A 35 37.924 -18.016 -20.700 1.00 0.00 C ATOM 524 O ASP A 35 36.941 -18.511 -20.163 1.00 0.00 O ATOM 525 CB ASP A 35 37.427 -15.887 -21.984 1.00 0.00 C ATOM 526 CG ASP A 35 36.955 -14.452 -21.750 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.670 -13.680 -21.074 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.875 -14.083 -22.262 1.00 0.00 O ATOM 0 H ASP A 35 39.877 -15.580 -21.439 1.00 0.00 H new ATOM 0 HA ASP A 35 37.597 -16.089 -19.863 1.00 0.00 H new ATOM 0 HB2 ASP A 35 38.126 -15.906 -22.820 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.576 -16.506 -22.267 1.00 0.00 H new ATOM 533 N THR A 36 38.871 -18.784 -21.245 1.00 0.00 N ATOM 534 CA THR A 36 38.774 -20.250 -21.104 1.00 0.00 C ATOM 535 C THR A 36 38.927 -20.711 -19.632 1.00 0.00 C ATOM 536 O THR A 36 38.293 -21.680 -19.208 1.00 0.00 O ATOM 537 CB THR A 36 39.692 -21.018 -22.085 1.00 0.00 C ATOM 538 OG1 THR A 36 39.487 -20.521 -23.400 1.00 0.00 O ATOM 539 CG2 THR A 36 39.397 -22.525 -22.096 1.00 0.00 C ATOM 0 H THR A 36 39.679 -18.443 -21.765 1.00 0.00 H new ATOM 0 HA THR A 36 37.759 -20.517 -21.399 1.00 0.00 H new ATOM 0 HB THR A 36 40.720 -20.868 -21.755 1.00 0.00 H new ATOM 0 HG1 THR A 36 39.178 -21.248 -23.980 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.066 -23.022 -22.799 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.552 -22.933 -21.097 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.363 -22.691 -22.399 1.00 0.00 H new ATOM 547 N MET A 37 39.720 -19.993 -18.825 1.00 0.00 N ATOM 548 CA MET A 37 39.772 -20.331 -17.392 1.00 0.00 C ATOM 549 C MET A 37 38.526 -19.872 -16.623 1.00 0.00 C ATOM 550 O MET A 37 37.897 -20.653 -15.907 1.00 0.00 O ATOM 551 CB MET A 37 41.033 -19.793 -16.706 1.00 0.00 C ATOM 552 CG MET A 37 42.296 -20.431 -17.278 1.00 0.00 C ATOM 553 SD MET A 37 42.895 -19.455 -18.660 1.00 0.00 S ATOM 554 CE MET A 37 43.076 -20.774 -19.862 1.00 0.00 C ATOM 0 H MET A 37 40.308 -19.212 -19.117 1.00 0.00 H new ATOM 0 HA MET A 37 39.803 -21.420 -17.362 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.082 -18.711 -16.830 1.00 0.00 H new ATOM 0 HB3 MET A 37 40.978 -19.989 -15.635 1.00 0.00 H new ATOM 0 HG2 MET A 37 43.063 -20.496 -16.507 1.00 0.00 H new ATOM 0 HG3 MET A 37 42.085 -21.449 -17.604 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.253 -20.346 -20.848 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.919 -21.406 -19.584 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.166 -21.373 -19.885 1.00 0.00 H new ATOM 564 N ASP A 38 38.188 -18.585 -16.733 1.00 0.00 N ATOM 565 CA ASP A 38 36.907 -18.118 -16.166 1.00 0.00 C ATOM 566 C ASP A 38 35.716 -18.963 -16.643 1.00 0.00 C ATOM 567 O ASP A 38 34.765 -19.225 -15.907 1.00 0.00 O ATOM 568 CB ASP A 38 36.643 -16.640 -16.490 1.00 0.00 C ATOM 569 CG ASP A 38 37.423 -15.714 -15.570 1.00 0.00 C ATOM 570 OD1 ASP A 38 36.891 -15.351 -14.498 1.00 0.00 O ATOM 571 OD2 ASP A 38 38.564 -15.339 -15.913 1.00 0.00 O ATOM 0 H ASP A 38 38.752 -17.868 -17.189 1.00 0.00 H new ATOM 0 HA ASP A 38 37.002 -18.232 -15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.918 -16.440 -17.526 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.577 -16.432 -16.397 1.00 0.00 H new ATOM 576 N MET A 39 35.776 -19.367 -17.904 1.00 0.00 N ATOM 577 CA MET A 39 34.786 -20.295 -18.442 1.00 0.00 C ATOM 578 C MET A 39 34.693 -21.598 -17.666 1.00 0.00 C ATOM 579 O MET A 39 33.676 -21.910 -17.056 1.00 0.00 O ATOM 580 CB MET A 39 35.124 -20.594 -19.907 1.00 0.00 C ATOM 581 CG MET A 39 34.313 -21.745 -20.519 1.00 0.00 C ATOM 582 SD MET A 39 35.409 -22.788 -21.505 1.00 0.00 S ATOM 583 CE MET A 39 34.194 -23.690 -22.485 1.00 0.00 C ATOM 0 H MET A 39 36.491 -19.072 -18.569 1.00 0.00 H new ATOM 0 HA MET A 39 33.813 -19.811 -18.353 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.957 -19.693 -20.498 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.185 -20.832 -19.982 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.843 -22.334 -19.731 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.511 -21.349 -21.142 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.672 -24.088 -23.380 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.788 -24.512 -21.895 1.00 0.00 H new ATOM 0 HE3 MET A 39 33.387 -23.017 -22.773 1.00 0.00 H new ATOM 593 N LEU A 40 35.755 -22.383 -17.702 1.00 0.00 N ATOM 594 CA LEU A 40 35.654 -23.723 -17.103 1.00 0.00 C ATOM 595 C LEU A 40 35.568 -23.719 -15.567 1.00 0.00 C ATOM 596 O LEU A 40 35.304 -24.743 -14.935 1.00 0.00 O ATOM 597 CB LEU A 40 36.705 -24.667 -17.696 1.00 0.00 C ATOM 598 CG LEU A 40 36.600 -24.672 -19.234 1.00 0.00 C ATOM 599 CD1 LEU A 40 37.940 -25.000 -19.877 1.00 0.00 C ATOM 600 CD2 LEU A 40 35.536 -25.663 -19.703 1.00 0.00 C ATOM 0 H LEU A 40 36.657 -22.144 -18.114 1.00 0.00 H new ATOM 0 HA LEU A 40 34.685 -24.135 -17.386 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.703 -24.351 -17.392 1.00 0.00 H new ATOM 0 HB3 LEU A 40 36.559 -25.676 -17.310 1.00 0.00 H new ATOM 0 HG LEU A 40 36.307 -23.670 -19.546 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.834 -24.996 -20.962 1.00 0.00 H new ATOM 0 HD12 LEU A 40 38.678 -24.254 -19.582 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.270 -25.986 -19.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.480 -25.649 -20.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 35.799 -26.666 -19.366 1.00 0.00 H new ATOM 0 HD23 LEU A 40 34.569 -25.382 -19.286 1.00 0.00 H new ATOM 612 N THR A 41 35.764 -22.551 -14.966 1.00 0.00 N ATOM 613 CA THR A 41 35.428 -22.402 -13.548 1.00 0.00 C ATOM 614 C THR A 41 33.943 -22.024 -13.357 1.00 0.00 C ATOM 615 O THR A 41 33.269 -22.517 -12.451 1.00 0.00 O ATOM 616 CB THR A 41 36.337 -21.387 -12.838 1.00 0.00 C ATOM 617 OG1 THR A 41 37.693 -21.648 -13.177 1.00 0.00 O ATOM 618 CG2 THR A 41 36.185 -21.473 -11.318 1.00 0.00 C ATOM 0 H THR A 41 36.141 -21.717 -15.416 1.00 0.00 H new ATOM 0 HA THR A 41 35.598 -23.374 -13.086 1.00 0.00 H new ATOM 0 HB THR A 41 36.046 -20.388 -13.163 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.865 -21.346 -14.093 1.00 0.00 H new ATOM 0 HG21 THR A 41 36.841 -20.742 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.151 -21.264 -11.043 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.454 -22.474 -10.981 1.00 0.00 H new ATOM 626 N LYS A 42 33.422 -21.162 -14.233 1.00 0.00 N ATOM 627 CA LYS A 42 32.029 -20.714 -14.081 1.00 0.00 C ATOM 628 C LYS A 42 30.992 -21.560 -14.832 1.00 0.00 C ATOM 629 O LYS A 42 29.836 -21.656 -14.418 1.00 0.00 O ATOM 630 CB LYS A 42 31.846 -19.237 -14.453 1.00 0.00 C ATOM 631 CG LYS A 42 32.595 -18.306 -13.492 1.00 0.00 C ATOM 632 CD LYS A 42 32.143 -16.853 -13.677 1.00 0.00 C ATOM 633 CE LYS A 42 32.758 -16.223 -14.932 1.00 0.00 C ATOM 634 NZ LYS A 42 33.995 -15.497 -14.584 1.00 0.00 N ATOM 0 H LYS A 42 33.921 -20.769 -15.031 1.00 0.00 H new ATOM 0 HA LYS A 42 31.836 -20.850 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.203 -19.072 -15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.784 -18.990 -14.444 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.417 -18.619 -12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 33.668 -18.383 -13.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 31.056 -16.816 -13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.426 -16.270 -12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.977 -16.998 -15.667 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.044 -15.540 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.264 -14.872 -15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.834 -14.928 -13.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.760 -16.179 -14.407 1.00 0.00 H new ATOM 648 N LEU A 43 31.379 -22.143 -15.965 1.00 0.00 N ATOM 649 CA LEU A 43 30.447 -23.059 -16.643 1.00 0.00 C ATOM 650 C LEU A 43 30.071 -24.227 -15.719 1.00 0.00 C ATOM 651 O LEU A 43 28.926 -24.677 -15.680 1.00 0.00 O ATOM 652 CB LEU A 43 30.967 -23.667 -17.965 1.00 0.00 C ATOM 653 CG LEU A 43 31.181 -22.671 -19.126 1.00 0.00 C ATOM 654 CD1 LEU A 43 31.714 -23.423 -20.325 1.00 0.00 C ATOM 655 CD2 LEU A 43 29.905 -22.000 -19.597 1.00 0.00 C ATOM 0 H LEU A 43 32.283 -22.012 -16.419 1.00 0.00 H new ATOM 0 HA LEU A 43 29.590 -22.431 -16.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.913 -24.170 -17.764 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.263 -24.432 -18.293 1.00 0.00 H new ATOM 0 HG LEU A 43 31.863 -21.911 -18.744 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.869 -22.729 -21.151 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.661 -23.896 -20.066 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.997 -24.187 -20.623 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.134 -21.315 -20.413 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.203 -22.757 -19.945 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.460 -21.445 -18.771 1.00 0.00 H new ATOM 667 N GLY A 44 31.056 -24.715 -14.961 1.00 0.00 N ATOM 668 CA GLY A 44 30.768 -25.816 -14.028 1.00 0.00 C ATOM 669 C GLY A 44 31.322 -27.161 -14.513 1.00 0.00 C ATOM 670 O GLY A 44 31.436 -28.110 -13.738 1.00 0.00 O ATOM 0 H GLY A 44 32.021 -24.386 -14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.195 -25.582 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 44 29.690 -25.899 -13.892 1.00 0.00 H new ATOM 674 N GLN A 45 31.659 -27.261 -15.796 1.00 0.00 N ATOM 675 CA GLN A 45 32.130 -28.552 -16.309 1.00 0.00 C ATOM 676 C GLN A 45 33.571 -28.485 -16.815 1.00 0.00 C ATOM 677 O GLN A 45 33.831 -28.241 -17.994 1.00 0.00 O ATOM 678 CB GLN A 45 31.203 -29.116 -17.392 1.00 0.00 C ATOM 679 CG GLN A 45 29.838 -29.508 -16.813 1.00 0.00 C ATOM 680 CD GLN A 45 28.997 -30.238 -17.851 1.00 0.00 C ATOM 681 OE1 GLN A 45 29.177 -31.425 -18.112 1.00 0.00 O ATOM 682 NE2 GLN A 45 28.065 -29.531 -18.459 1.00 0.00 N ATOM 0 H GLN A 45 31.620 -26.503 -16.477 1.00 0.00 H new ATOM 0 HA GLN A 45 32.109 -29.237 -15.462 1.00 0.00 H new ATOM 0 HB2 GLN A 45 31.067 -28.374 -18.179 1.00 0.00 H new ATOM 0 HB3 GLN A 45 31.668 -29.987 -17.853 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.978 -30.145 -15.940 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.312 -28.615 -16.475 1.00 0.00 H new ATOM 0 HE21 GLN A 45 27.936 -28.547 -18.223 1.00 0.00 H new ATOM 0 HE22 GLN A 45 27.472 -29.968 -19.165 1.00 0.00 H new ATOM 691 N THR A 46 34.522 -28.711 -15.916 1.00 0.00 N ATOM 692 CA THR A 46 35.923 -28.743 -16.357 1.00 0.00 C ATOM 693 C THR A 46 36.258 -30.120 -17.002 1.00 0.00 C ATOM 694 O THR A 46 35.489 -31.070 -16.851 1.00 0.00 O ATOM 695 CB THR A 46 36.912 -28.351 -15.237 1.00 0.00 C ATOM 696 OG1 THR A 46 38.241 -28.673 -15.622 1.00 0.00 O ATOM 697 CG2 THR A 46 36.591 -29.060 -13.913 1.00 0.00 C ATOM 0 H THR A 46 34.368 -28.869 -14.920 1.00 0.00 H new ATOM 0 HA THR A 46 36.046 -27.979 -17.124 1.00 0.00 H new ATOM 0 HB THR A 46 36.814 -27.276 -15.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.860 -28.419 -14.906 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.311 -28.756 -13.153 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.586 -28.789 -13.590 1.00 0.00 H new ATOM 0 HG23 THR A 46 36.648 -30.139 -14.055 1.00 0.00 H new ATOM 705 N TYR A 47 37.386 -30.274 -17.715 1.00 0.00 N ATOM 706 CA TYR A 47 37.529 -31.510 -18.490 1.00 0.00 C ATOM 707 C TYR A 47 38.509 -32.509 -17.850 1.00 0.00 C ATOM 708 O TYR A 47 38.240 -33.051 -16.777 1.00 0.00 O ATOM 709 CB TYR A 47 37.815 -31.219 -19.966 1.00 0.00 C ATOM 710 CG TYR A 47 36.591 -30.662 -20.689 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.595 -31.496 -21.082 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.484 -29.330 -20.925 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.422 -30.982 -21.539 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.317 -28.816 -21.395 1.00 0.00 C ATOM 715 CZ TYR A 47 34.287 -29.644 -21.694 1.00 0.00 C ATOM 716 OH TYR A 47 33.108 -29.126 -22.162 1.00 0.00 O ATOM 0 H TYR A 47 38.159 -29.610 -17.771 1.00 0.00 H new ATOM 0 HA TYR A 47 36.566 -32.019 -18.464 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.636 -30.506 -20.042 1.00 0.00 H new ATOM 0 HB3 TYR A 47 38.141 -32.135 -20.459 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.734 -32.566 -21.032 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.325 -28.679 -20.739 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.600 -31.640 -21.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.211 -27.750 -21.530 1.00 0.00 H new ATOM 0 HH TYR A 47 33.177 -28.150 -22.213 1.00 0.00 H new ATOM 726 N THR A 48 39.651 -32.767 -18.490 1.00 0.00 N ATOM 727 CA THR A 48 40.565 -33.775 -17.933 1.00 0.00 C ATOM 728 C THR A 48 41.823 -33.132 -17.328 1.00 0.00 C ATOM 729 O THR A 48 41.819 -32.700 -16.175 1.00 0.00 O ATOM 730 CB THR A 48 40.865 -34.904 -18.939 1.00 0.00 C ATOM 731 OG1 THR A 48 39.644 -35.371 -19.499 1.00 0.00 O ATOM 732 CG2 THR A 48 41.571 -36.081 -18.261 1.00 0.00 C ATOM 0 H THR A 48 39.959 -32.319 -19.353 1.00 0.00 H new ATOM 0 HA THR A 48 40.054 -34.260 -17.101 1.00 0.00 H new ATOM 0 HB THR A 48 41.518 -34.501 -19.713 1.00 0.00 H new ATOM 0 HG1 THR A 48 39.831 -36.088 -20.140 1.00 0.00 H new ATOM 0 HG21 THR A 48 41.768 -36.860 -18.997 1.00 0.00 H new ATOM 0 HG22 THR A 48 42.513 -35.741 -17.831 1.00 0.00 H new ATOM 0 HG23 THR A 48 40.935 -36.481 -17.471 1.00 0.00 H new ATOM 740 N LYS A 49 42.912 -33.071 -18.091 1.00 0.00 N ATOM 741 CA LYS A 49 44.126 -32.443 -17.547 1.00 0.00 C ATOM 742 C LYS A 49 45.157 -32.110 -18.631 1.00 0.00 C ATOM 743 O LYS A 49 45.603 -30.971 -18.745 1.00 0.00 O ATOM 744 CB LYS A 49 44.779 -33.256 -16.407 1.00 0.00 C ATOM 745 CG LYS A 49 45.252 -32.361 -15.250 1.00 0.00 C ATOM 746 CD LYS A 49 46.564 -31.646 -15.590 1.00 0.00 C ATOM 747 CE LYS A 49 46.869 -30.548 -14.571 1.00 0.00 C ATOM 748 NZ LYS A 49 47.964 -29.700 -15.075 1.00 0.00 N ATOM 0 H LYS A 49 42.987 -33.428 -19.043 1.00 0.00 H new ATOM 0 HA LYS A 49 43.781 -31.504 -17.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 44.064 -33.987 -16.029 1.00 0.00 H new ATOM 0 HB3 LYS A 49 45.628 -33.815 -16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.483 -31.623 -15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 49 45.388 -32.966 -14.354 1.00 0.00 H new ATOM 0 HD2 LYS A 49 47.381 -32.367 -15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.498 -31.213 -16.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.979 -29.944 -14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.149 -30.991 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.900 -28.757 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 48.878 -30.132 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.888 -29.612 -16.109 1.00 0.00 H new ATOM 762 N ARG A 50 45.548 -33.097 -19.432 1.00 0.00 N ATOM 763 CA ARG A 50 46.618 -32.847 -20.413 1.00 0.00 C ATOM 764 C ARG A 50 46.100 -32.393 -21.789 1.00 0.00 C ATOM 765 O ARG A 50 46.420 -31.306 -22.275 1.00 0.00 O ATOM 766 CB ARG A 50 47.552 -34.062 -20.533 1.00 0.00 C ATOM 767 CG ARG A 50 48.794 -33.756 -21.378 1.00 0.00 C ATOM 768 CD ARG A 50 49.725 -34.969 -21.426 1.00 0.00 C ATOM 769 NE ARG A 50 50.849 -34.698 -22.337 1.00 0.00 N ATOM 770 CZ ARG A 50 51.099 -35.529 -23.344 1.00 0.00 C ATOM 771 NH1 ARG A 50 50.116 -36.159 -23.962 1.00 0.00 N ATOM 772 NH2 ARG A 50 52.338 -35.696 -23.755 1.00 0.00 N ATOM 0 H ARG A 50 45.164 -34.042 -19.431 1.00 0.00 H new ATOM 0 HA ARG A 50 47.194 -32.006 -20.026 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.861 -34.380 -19.537 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.007 -34.894 -20.979 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.494 -33.481 -22.389 1.00 0.00 H new ATOM 0 HG3 ARG A 50 49.324 -32.901 -20.959 1.00 0.00 H new ATOM 0 HD2 ARG A 50 50.100 -35.191 -20.427 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.175 -35.848 -21.763 1.00 0.00 H new ATOM 0 HE ARG A 50 51.434 -33.875 -22.196 1.00 0.00 H new ATOM 0 HH11 ARG A 50 49.151 -36.011 -23.668 1.00 0.00 H new ATOM 0 HH12 ARG A 50 50.322 -36.794 -24.733 1.00 0.00 H new ATOM 0 HH21 ARG A 50 53.098 -35.190 -23.301 1.00 0.00 H new ATOM 0 HH22 ARG A 50 52.538 -36.332 -24.527 1.00 0.00 H new ATOM 786 N GLU A 51 45.301 -33.232 -22.433 1.00 0.00 N ATOM 787 CA GLU A 51 44.819 -32.880 -23.776 1.00 0.00 C ATOM 788 C GLU A 51 43.717 -31.798 -23.760 1.00 0.00 C ATOM 789 O GLU A 51 43.625 -30.959 -24.659 1.00 0.00 O ATOM 790 CB GLU A 51 44.437 -34.128 -24.587 1.00 0.00 C ATOM 791 CG GLU A 51 45.672 -34.915 -25.055 1.00 0.00 C ATOM 792 CD GLU A 51 46.298 -35.723 -23.925 1.00 0.00 C ATOM 793 OE1 GLU A 51 45.574 -36.493 -23.259 1.00 0.00 O ATOM 794 OE2 GLU A 51 47.521 -35.592 -23.700 1.00 0.00 O ATOM 0 H GLU A 51 44.978 -34.130 -22.072 1.00 0.00 H new ATOM 0 HA GLU A 51 45.656 -32.417 -24.299 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.805 -34.775 -23.979 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.848 -33.830 -25.454 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.388 -35.586 -25.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.411 -34.223 -25.458 1.00 0.00 H new ATOM 801 N THR A 52 42.866 -31.793 -22.737 1.00 0.00 N ATOM 802 CA THR A 52 41.958 -30.646 -22.591 1.00 0.00 C ATOM 803 C THR A 52 42.733 -29.378 -22.155 1.00 0.00 C ATOM 804 O THR A 52 42.300 -28.249 -22.374 1.00 0.00 O ATOM 805 CB THR A 52 40.718 -30.933 -21.722 1.00 0.00 C ATOM 806 OG1 THR A 52 40.711 -32.289 -21.301 1.00 0.00 O ATOM 807 CG2 THR A 52 39.413 -30.696 -22.503 1.00 0.00 C ATOM 0 H THR A 52 42.781 -32.523 -22.030 1.00 0.00 H new ATOM 0 HA THR A 52 41.543 -30.450 -23.580 1.00 0.00 H new ATOM 0 HB THR A 52 40.771 -30.256 -20.869 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.511 -32.868 -22.066 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.560 -30.908 -21.859 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.370 -29.658 -22.833 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.384 -31.354 -23.372 1.00 0.00 H new ATOM 815 N GLU A 53 43.894 -29.559 -21.526 1.00 0.00 N ATOM 816 CA GLU A 53 44.840 -28.425 -21.433 1.00 0.00 C ATOM 817 C GLU A 53 45.216 -27.922 -22.843 1.00 0.00 C ATOM 818 O GLU A 53 45.406 -26.728 -23.071 1.00 0.00 O ATOM 819 CB GLU A 53 46.128 -28.728 -20.650 1.00 0.00 C ATOM 820 CG GLU A 53 46.141 -28.024 -19.282 1.00 0.00 C ATOM 821 CD GLU A 53 47.483 -28.187 -18.579 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.462 -27.528 -18.990 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.562 -28.963 -17.601 1.00 0.00 O ATOM 0 H GLU A 53 44.201 -30.429 -21.091 1.00 0.00 H new ATOM 0 HA GLU A 53 44.308 -27.658 -20.871 1.00 0.00 H new ATOM 0 HB2 GLU A 53 46.222 -29.804 -20.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.992 -28.408 -21.232 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.926 -26.964 -19.416 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.349 -28.433 -18.654 1.00 0.00 H new ATOM 830 N ALA A 54 45.364 -28.860 -23.784 1.00 0.00 N ATOM 831 CA ALA A 54 45.473 -28.466 -25.205 1.00 0.00 C ATOM 832 C ALA A 54 44.316 -27.569 -25.647 1.00 0.00 C ATOM 833 O ALA A 54 44.516 -26.566 -26.333 1.00 0.00 O ATOM 834 CB ALA A 54 45.536 -29.650 -26.175 1.00 0.00 C ATOM 0 H ALA A 54 45.411 -29.863 -23.605 1.00 0.00 H new ATOM 0 HA ALA A 54 46.418 -27.924 -25.251 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.615 -29.279 -27.197 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.406 -30.264 -25.943 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.632 -30.250 -26.076 1.00 0.00 H new ATOM 840 N ILE A 55 43.089 -27.955 -25.282 1.00 0.00 N ATOM 841 CA ILE A 55 41.947 -27.024 -25.486 1.00 0.00 C ATOM 842 C ILE A 55 42.342 -25.608 -25.025 1.00 0.00 C ATOM 843 O ILE A 55 42.330 -24.632 -25.779 1.00 0.00 O ATOM 844 CB ILE A 55 40.625 -27.340 -24.713 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.863 -28.532 -25.213 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.700 -26.141 -24.801 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.529 -28.734 -24.497 1.00 0.00 C ATOM 0 H ILE A 55 42.855 -28.855 -24.864 1.00 0.00 H new ATOM 0 HA ILE A 55 41.742 -27.128 -26.552 1.00 0.00 H new ATOM 0 HB ILE A 55 40.938 -27.568 -23.694 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.681 -28.417 -26.282 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.475 -29.425 -25.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.776 -26.354 -24.264 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.186 -25.273 -24.356 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.472 -25.933 -25.846 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.027 -29.612 -24.904 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.706 -28.879 -23.431 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.901 -27.856 -24.644 1.00 0.00 H new ATOM 859 N MET A 56 42.670 -25.537 -23.744 1.00 0.00 N ATOM 860 CA MET A 56 42.940 -24.243 -23.113 1.00 0.00 C ATOM 861 C MET A 56 44.099 -23.460 -23.736 1.00 0.00 C ATOM 862 O MET A 56 44.078 -22.232 -23.813 1.00 0.00 O ATOM 863 CB MET A 56 43.148 -24.442 -21.608 1.00 0.00 C ATOM 864 CG MET A 56 41.904 -25.062 -20.960 1.00 0.00 C ATOM 865 SD MET A 56 42.368 -26.484 -19.949 1.00 0.00 S ATOM 866 CE MET A 56 40.788 -27.362 -19.902 1.00 0.00 C ATOM 0 H MET A 56 42.756 -26.343 -23.125 1.00 0.00 H new ATOM 0 HA MET A 56 42.063 -23.621 -23.292 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.011 -25.086 -21.438 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.368 -23.484 -21.138 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.398 -24.319 -20.344 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.199 -25.370 -21.732 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.968 -28.428 -19.761 1.00 0.00 H new ATOM 0 HE2 MET A 56 40.186 -26.984 -19.076 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.256 -27.205 -20.840 1.00 0.00 H new ATOM 876 N LYS A 57 45.111 -24.178 -24.198 1.00 0.00 N ATOM 877 CA LYS A 57 46.253 -23.494 -24.823 1.00 0.00 C ATOM 878 C LYS A 57 45.956 -22.969 -26.237 1.00 0.00 C ATOM 879 O LYS A 57 46.350 -21.856 -26.588 1.00 0.00 O ATOM 880 CB LYS A 57 47.529 -24.346 -24.808 1.00 0.00 C ATOM 881 CG LYS A 57 48.096 -24.461 -23.390 1.00 0.00 C ATOM 882 CD LYS A 57 49.414 -25.240 -23.390 1.00 0.00 C ATOM 883 CE LYS A 57 49.853 -25.570 -21.961 1.00 0.00 C ATOM 884 NZ LYS A 57 49.024 -26.666 -21.424 1.00 0.00 N ATOM 0 H LYS A 57 45.175 -25.195 -24.160 1.00 0.00 H new ATOM 0 HA LYS A 57 46.431 -22.619 -24.198 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.311 -25.340 -25.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.275 -23.902 -25.467 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.257 -23.465 -22.977 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.374 -24.961 -22.745 1.00 0.00 H new ATOM 0 HD2 LYS A 57 49.297 -26.161 -23.961 1.00 0.00 H new ATOM 0 HD3 LYS A 57 50.188 -24.654 -23.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 50.904 -25.858 -21.951 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.759 -24.687 -21.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.854 -26.508 -20.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 48.114 -26.692 -21.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 49.518 -27.572 -21.556 1.00 0.00 H new ATOM 898 N GLU A 58 45.280 -23.762 -27.069 1.00 0.00 N ATOM 899 CA GLU A 58 44.913 -23.249 -28.404 1.00 0.00 C ATOM 900 C GLU A 58 43.855 -22.123 -28.363 1.00 0.00 C ATOM 901 O GLU A 58 43.766 -21.298 -29.272 1.00 0.00 O ATOM 902 CB GLU A 58 44.541 -24.364 -29.399 1.00 0.00 C ATOM 903 CG GLU A 58 43.104 -24.868 -29.213 1.00 0.00 C ATOM 904 CD GLU A 58 42.807 -26.054 -30.123 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.307 -27.165 -29.844 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.059 -25.886 -31.112 1.00 0.00 O ATOM 0 H GLU A 58 44.984 -24.717 -26.865 1.00 0.00 H new ATOM 0 HA GLU A 58 45.824 -22.788 -28.787 1.00 0.00 H new ATOM 0 HB2 GLU A 58 44.663 -23.993 -30.417 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.233 -25.198 -29.279 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.950 -25.158 -28.174 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.403 -24.060 -29.425 1.00 0.00 H new ATOM 913 N ALA A 59 43.041 -22.099 -27.306 1.00 0.00 N ATOM 914 CA ALA A 59 42.082 -20.995 -27.147 1.00 0.00 C ATOM 915 C ALA A 59 42.708 -19.592 -27.141 1.00 0.00 C ATOM 916 O ALA A 59 42.048 -18.602 -27.458 1.00 0.00 O ATOM 917 CB ALA A 59 41.228 -21.186 -25.892 1.00 0.00 C ATOM 0 H ALA A 59 43.021 -22.803 -26.568 1.00 0.00 H new ATOM 0 HA ALA A 59 41.458 -21.042 -28.039 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.528 -20.356 -25.799 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.674 -22.121 -25.968 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.873 -21.217 -25.014 1.00 0.00 H new ATOM 923 N ARG A 60 43.971 -19.491 -26.734 1.00 0.00 N ATOM 924 CA ARG A 60 44.673 -18.182 -26.884 1.00 0.00 C ATOM 925 C ARG A 60 44.497 -17.516 -28.268 1.00 0.00 C ATOM 926 O ARG A 60 44.367 -16.296 -28.336 1.00 0.00 O ATOM 927 CB ARG A 60 46.137 -18.293 -26.440 1.00 0.00 C ATOM 928 CG ARG A 60 46.893 -16.963 -26.564 1.00 0.00 C ATOM 929 CD ARG A 60 48.353 -17.130 -26.141 1.00 0.00 C ATOM 930 NE ARG A 60 49.078 -15.869 -26.350 1.00 0.00 N ATOM 931 CZ ARG A 60 50.398 -15.836 -26.194 1.00 0.00 C ATOM 932 NH1 ARG A 60 51.130 -16.919 -26.385 1.00 0.00 N ATOM 933 NH2 ARG A 60 50.986 -14.702 -25.874 1.00 0.00 N ATOM 0 H ARG A 60 44.520 -20.243 -26.318 1.00 0.00 H new ATOM 0 HA ARG A 60 44.177 -17.487 -26.207 1.00 0.00 H new ATOM 0 HB2 ARG A 60 46.174 -18.633 -25.405 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.639 -19.050 -27.042 1.00 0.00 H new ATOM 0 HG2 ARG A 60 46.846 -16.607 -27.593 1.00 0.00 H new ATOM 0 HG3 ARG A 60 46.413 -16.207 -25.942 1.00 0.00 H new ATOM 0 HD2 ARG A 60 48.406 -17.422 -25.092 1.00 0.00 H new ATOM 0 HD3 ARG A 60 48.820 -17.929 -26.718 1.00 0.00 H new ATOM 0 HE ARG A 60 48.571 -15.024 -26.613 1.00 0.00 H new ATOM 0 HH11 ARG A 60 50.683 -17.795 -26.656 1.00 0.00 H new ATOM 0 HH12 ARG A 60 52.142 -16.879 -26.262 1.00 0.00 H new ATOM 0 HH21 ARG A 60 50.429 -13.857 -25.747 1.00 0.00 H new ATOM 0 HH22 ARG A 60 51.998 -14.669 -25.753 1.00 0.00 H new ATOM 1031 N LYS A 67 44.230 -12.188 -30.443 1.00 0.00 N ATOM 1032 CA LYS A 67 44.562 -13.246 -29.458 1.00 0.00 C ATOM 1033 C LYS A 67 43.356 -13.774 -28.654 1.00 0.00 C ATOM 1034 O LYS A 67 43.291 -13.662 -27.431 1.00 0.00 O ATOM 1035 CB LYS A 67 45.811 -12.957 -28.592 1.00 0.00 C ATOM 1036 CG LYS A 67 45.867 -11.547 -27.977 1.00 0.00 C ATOM 1037 CD LYS A 67 45.076 -11.459 -26.668 1.00 0.00 C ATOM 1038 CE LYS A 67 45.297 -10.106 -25.990 1.00 0.00 C ATOM 1039 NZ LYS A 67 44.420 -9.991 -24.811 1.00 0.00 N ATOM 0 HA LYS A 67 44.861 -14.086 -30.085 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.853 -13.690 -27.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.701 -13.105 -29.204 1.00 0.00 H new ATOM 0 HG2 LYS A 67 46.906 -11.273 -27.792 1.00 0.00 H new ATOM 0 HG3 LYS A 67 45.469 -10.825 -28.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 44.014 -11.601 -26.869 1.00 0.00 H new ATOM 0 HD3 LYS A 67 45.383 -12.261 -25.997 1.00 0.00 H new ATOM 0 HE2 LYS A 67 46.340 -10.005 -25.690 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.087 -9.298 -26.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 44.573 -9.070 -24.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 43.426 -10.069 -25.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 44.641 -10.753 -24.139 1.00 0.00 H new ATOM 1053 N ASN A 68 42.409 -14.406 -29.350 1.00 0.00 N ATOM 1054 CA ASN A 68 41.216 -14.915 -28.645 1.00 0.00 C ATOM 1055 C ASN A 68 40.425 -15.872 -29.527 1.00 0.00 C ATOM 1056 O ASN A 68 40.631 -15.945 -30.740 1.00 0.00 O ATOM 1057 CB ASN A 68 40.249 -13.836 -28.100 1.00 0.00 C ATOM 1058 CG ASN A 68 40.461 -12.442 -28.686 1.00 0.00 C ATOM 1059 OD1 ASN A 68 40.571 -11.450 -27.970 1.00 0.00 O ATOM 1060 ND2 ASN A 68 40.496 -12.356 -30.001 1.00 0.00 N ATOM 0 H ASN A 68 42.432 -14.576 -30.355 1.00 0.00 H new ATOM 0 HA ASN A 68 41.631 -15.425 -27.776 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.225 -14.149 -28.301 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.359 -13.782 -27.017 1.00 0.00 H new ATOM 0 HD21 ASN A 68 40.617 -11.448 -30.450 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.402 -13.197 -30.570 1.00 0.00 H new ATOM 1067 N ILE A 69 39.500 -16.615 -28.924 1.00 0.00 N ATOM 1068 CA ILE A 69 38.602 -17.413 -29.764 1.00 0.00 C ATOM 1069 C ILE A 69 37.228 -16.781 -29.913 1.00 0.00 C ATOM 1070 O ILE A 69 36.397 -16.731 -29.005 1.00 0.00 O ATOM 1071 CB ILE A 69 38.519 -18.904 -29.484 1.00 0.00 C ATOM 1072 CG1 ILE A 69 38.181 -19.244 -28.022 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.846 -19.533 -29.879 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.250 -20.752 -27.757 1.00 0.00 C ATOM 0 H ILE A 69 39.353 -16.684 -27.917 1.00 0.00 H new ATOM 0 HA ILE A 69 39.108 -17.382 -30.729 1.00 0.00 H new ATOM 0 HB ILE A 69 37.695 -19.308 -30.073 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.874 -18.726 -27.359 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.181 -18.879 -27.786 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.812 -20.605 -29.687 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.029 -19.360 -30.939 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.649 -19.085 -29.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 38.005 -20.950 -26.714 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.538 -21.268 -28.401 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.257 -21.113 -27.968 1.00 0.00 H new ATOM 1086 N GLY A 70 37.017 -16.325 -31.126 1.00 0.00 N ATOM 1087 CA GLY A 70 35.815 -15.542 -31.412 1.00 0.00 C ATOM 1088 C GLY A 70 34.652 -16.351 -31.987 1.00 0.00 C ATOM 1089 O GLY A 70 34.500 -17.538 -31.699 1.00 0.00 O ATOM 0 H GLY A 70 37.639 -16.472 -31.921 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.485 -15.058 -30.493 1.00 0.00 H new ATOM 0 HA3 GLY A 70 36.072 -14.749 -32.115 1.00 0.00 H new ATOM 1093 N PRO A 71 33.784 -15.654 -32.745 1.00 0.00 N ATOM 1094 CA PRO A 71 32.447 -16.188 -33.094 1.00 0.00 C ATOM 1095 C PRO A 71 32.301 -17.713 -33.181 1.00 0.00 C ATOM 1096 O PRO A 71 31.354 -18.285 -32.639 1.00 0.00 O ATOM 1097 CB PRO A 71 32.093 -15.539 -34.439 1.00 0.00 C ATOM 1098 CG PRO A 71 33.261 -14.643 -34.850 1.00 0.00 C ATOM 1099 CD PRO A 71 34.310 -14.723 -33.747 1.00 0.00 C ATOM 0 HA PRO A 71 31.770 -15.941 -32.276 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.913 -16.303 -35.196 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.177 -14.955 -34.352 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.679 -14.971 -35.802 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.926 -13.615 -34.987 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.263 -15.075 -34.142 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.489 -13.741 -33.309 1.00 0.00 H new ATOM 1107 N GLU A 72 33.178 -18.373 -33.919 1.00 0.00 N ATOM 1108 CA GLU A 72 32.976 -19.812 -34.135 1.00 0.00 C ATOM 1109 C GLU A 72 33.898 -20.772 -33.360 1.00 0.00 C ATOM 1110 O GLU A 72 33.433 -21.789 -32.843 1.00 0.00 O ATOM 1111 CB GLU A 72 32.821 -20.171 -35.616 1.00 0.00 C ATOM 1112 CG GLU A 72 34.120 -20.003 -36.423 1.00 0.00 C ATOM 1113 CD GLU A 72 34.422 -18.542 -36.736 1.00 0.00 C ATOM 1114 OE1 GLU A 72 33.606 -17.891 -37.422 1.00 0.00 O ATOM 1115 OE2 GLU A 72 35.484 -18.040 -36.307 1.00 0.00 O ATOM 0 H GLU A 72 34.002 -17.968 -34.364 1.00 0.00 H new ATOM 0 HA GLU A 72 32.015 -19.997 -33.656 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.481 -21.203 -35.699 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.045 -19.544 -36.055 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.951 -20.431 -35.863 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.041 -20.563 -37.355 1.00 0.00 H new ATOM 1122 N GLU A 73 35.200 -20.476 -33.271 1.00 0.00 N ATOM 1123 CA GLU A 73 36.122 -21.453 -32.679 1.00 0.00 C ATOM 1124 C GLU A 73 35.715 -21.979 -31.298 1.00 0.00 C ATOM 1125 O GLU A 73 35.929 -23.148 -30.988 1.00 0.00 O ATOM 1126 CB GLU A 73 37.572 -20.939 -32.665 1.00 0.00 C ATOM 1127 CG GLU A 73 38.525 -21.897 -31.927 1.00 0.00 C ATOM 1128 CD GLU A 73 38.938 -23.070 -32.810 1.00 0.00 C ATOM 1129 OE1 GLU A 73 39.691 -22.854 -33.782 1.00 0.00 O ATOM 1130 OE2 GLU A 73 38.518 -24.215 -32.530 1.00 0.00 O ATOM 0 H GLU A 73 35.627 -19.605 -33.587 1.00 0.00 H new ATOM 0 HA GLU A 73 36.058 -22.314 -33.344 1.00 0.00 H new ATOM 0 HB2 GLU A 73 37.917 -20.805 -33.690 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.603 -19.960 -32.187 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.413 -21.352 -31.606 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.039 -22.272 -31.027 1.00 0.00 H new ATOM 1137 N TRP A 74 35.132 -21.145 -30.451 1.00 0.00 N ATOM 1138 CA TRP A 74 34.870 -21.615 -29.086 1.00 0.00 C ATOM 1139 C TRP A 74 33.807 -22.745 -29.017 1.00 0.00 C ATOM 1140 O TRP A 74 34.017 -23.779 -28.367 1.00 0.00 O ATOM 1141 CB TRP A 74 34.894 -20.425 -28.086 1.00 0.00 C ATOM 1142 CG TRP A 74 33.758 -20.282 -27.081 1.00 0.00 C ATOM 1143 CD1 TRP A 74 33.120 -19.033 -27.015 1.00 0.00 C ATOM 1144 CD2 TRP A 74 33.908 -20.708 -25.773 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.877 -18.658 -25.692 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.372 -19.719 -24.937 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.003 -21.430 -25.349 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.930 -19.502 -23.723 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.482 -21.231 -24.091 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.908 -20.317 -23.275 1.00 0.00 C ATOM 0 H TRP A 74 34.842 -20.190 -30.660 1.00 0.00 H new ATOM 0 HA TRP A 74 35.687 -22.212 -28.682 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.825 -20.487 -27.523 1.00 0.00 H new ATOM 0 HB3 TRP A 74 34.935 -19.505 -28.670 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.852 -18.439 -27.876 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.437 -17.802 -25.355 1.00 0.00 H new ATOM 0 HE3 TRP A 74 35.475 -22.145 -26.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.593 -18.677 -23.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.326 -21.807 -23.741 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.237 -20.238 -22.249 1.00 0.00 H new ATOM 1161 N LEU A 75 32.755 -22.654 -29.837 1.00 0.00 N ATOM 1162 CA LEU A 75 31.854 -23.826 -29.956 1.00 0.00 C ATOM 1163 C LEU A 75 32.421 -24.945 -30.832 1.00 0.00 C ATOM 1164 O LEU A 75 32.362 -26.110 -30.448 1.00 0.00 O ATOM 1165 CB LEU A 75 30.412 -23.559 -30.401 1.00 0.00 C ATOM 1166 CG LEU A 75 29.418 -24.425 -29.593 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.047 -23.884 -29.780 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.287 -25.886 -30.035 1.00 0.00 C ATOM 0 H LEU A 75 32.507 -21.840 -30.400 1.00 0.00 H new ATOM 0 HA LEU A 75 31.804 -24.137 -28.912 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.175 -22.504 -30.266 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.309 -23.776 -31.464 1.00 0.00 H new ATOM 0 HG LEU A 75 29.814 -24.393 -28.578 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.337 -24.488 -29.214 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.011 -22.854 -29.426 1.00 0.00 H new ATOM 0 HD13 LEU A 75 27.786 -23.913 -30.838 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.564 -26.395 -29.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 28.949 -25.924 -31.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.255 -26.380 -29.951 1.00 0.00 H new ATOM 1180 N THR A 76 32.917 -24.644 -32.036 1.00 0.00 N ATOM 1181 CA THR A 76 33.517 -25.730 -32.830 1.00 0.00 C ATOM 1182 C THR A 76 34.662 -26.444 -32.102 1.00 0.00 C ATOM 1183 O THR A 76 34.965 -27.602 -32.382 1.00 0.00 O ATOM 1184 CB THR A 76 33.937 -25.352 -34.252 1.00 0.00 C ATOM 1185 OG1 THR A 76 32.801 -24.905 -34.979 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.006 -24.264 -34.283 1.00 0.00 C ATOM 0 H THR A 76 32.920 -23.719 -32.466 1.00 0.00 H new ATOM 0 HA THR A 76 32.689 -26.430 -32.944 1.00 0.00 H new ATOM 0 HB THR A 76 34.364 -26.246 -34.707 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.070 -24.661 -35.889 1.00 0.00 H new ATOM 0 HG21 THR A 76 35.264 -24.037 -35.317 1.00 0.00 H new ATOM 0 HG22 THR A 76 34.624 -23.365 -33.799 1.00 0.00 H new ATOM 0 HG23 THR A 76 35.894 -24.611 -33.755 1.00 0.00 H new ATOM 1194 N LEU A 77 35.322 -25.749 -31.184 1.00 0.00 N ATOM 1195 CA LEU A 77 36.290 -26.432 -30.321 1.00 0.00 C ATOM 1196 C LEU A 77 35.606 -27.373 -29.330 1.00 0.00 C ATOM 1197 O LEU A 77 36.052 -28.500 -29.113 1.00 0.00 O ATOM 1198 CB LEU A 77 37.226 -25.470 -29.584 1.00 0.00 C ATOM 1199 CG LEU A 77 38.216 -26.243 -28.701 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.577 -25.583 -28.734 1.00 0.00 C ATOM 1201 CD2 LEU A 77 37.749 -26.264 -27.255 1.00 0.00 C ATOM 0 H LEU A 77 35.215 -24.749 -31.017 1.00 0.00 H new ATOM 0 HA LEU A 77 36.908 -27.027 -30.994 1.00 0.00 H new ATOM 0 HB2 LEU A 77 37.773 -24.863 -30.306 1.00 0.00 H new ATOM 0 HB3 LEU A 77 36.641 -24.786 -28.970 1.00 0.00 H new ATOM 0 HG LEU A 77 38.274 -27.259 -29.090 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.268 -26.142 -28.103 1.00 0.00 H new ATOM 0 HD12 LEU A 77 39.950 -25.570 -29.758 1.00 0.00 H new ATOM 0 HD13 LEU A 77 39.495 -24.561 -28.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 38.466 -26.817 -26.649 1.00 0.00 H new ATOM 0 HD22 LEU A 77 37.671 -25.242 -26.883 1.00 0.00 H new ATOM 0 HD23 LEU A 77 36.774 -26.747 -27.195 1.00 0.00 H new ATOM 1213 N CYS A 78 34.531 -26.911 -28.692 1.00 0.00 N ATOM 1214 CA CYS A 78 33.792 -27.831 -27.805 1.00 0.00 C ATOM 1215 C CYS A 78 33.195 -28.988 -28.652 1.00 0.00 C ATOM 1216 O CYS A 78 33.077 -30.118 -28.174 1.00 0.00 O ATOM 1217 CB CYS A 78 32.691 -26.929 -27.229 1.00 0.00 C ATOM 1218 SG CYS A 78 33.158 -26.458 -25.533 1.00 0.00 S ATOM 0 H CYS A 78 34.162 -25.962 -28.759 1.00 0.00 H new ATOM 0 HA CYS A 78 34.397 -28.300 -27.029 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.567 -26.041 -27.848 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.735 -27.452 -27.227 1.00 0.00 H new ATOM 0 HG CYS A 78 32.720 -25.261 -25.279 1.00 0.00 H new ATOM 1224 N SER A 79 32.858 -28.736 -29.921 1.00 0.00 N ATOM 1225 CA SER A 79 32.482 -29.852 -30.803 1.00 0.00 C ATOM 1226 C SER A 79 33.687 -30.731 -31.197 1.00 0.00 C ATOM 1227 O SER A 79 33.576 -31.952 -31.315 1.00 0.00 O ATOM 1228 CB SER A 79 31.743 -29.375 -32.055 1.00 0.00 C ATOM 1229 OG SER A 79 31.136 -30.480 -32.714 1.00 0.00 O ATOM 0 H SER A 79 32.836 -27.811 -30.350 1.00 0.00 H new ATOM 0 HA SER A 79 31.799 -30.469 -30.218 1.00 0.00 H new ATOM 0 HB2 SER A 79 30.984 -28.642 -31.782 1.00 0.00 H new ATOM 0 HB3 SER A 79 32.439 -28.876 -32.730 1.00 0.00 H new ATOM 0 HG SER A 79 30.664 -30.165 -33.513 1.00 0.00 H new ATOM 1235 N LYS A 80 34.845 -30.107 -31.430 1.00 0.00 N ATOM 1236 CA LYS A 80 36.068 -30.890 -31.663 1.00 0.00 C ATOM 1237 C LYS A 80 36.360 -31.857 -30.514 1.00 0.00 C ATOM 1238 O LYS A 80 36.638 -33.039 -30.721 1.00 0.00 O ATOM 1239 CB LYS A 80 37.297 -29.993 -31.881 1.00 0.00 C ATOM 1240 CG LYS A 80 37.375 -29.442 -33.312 1.00 0.00 C ATOM 1241 CD LYS A 80 37.953 -28.018 -33.344 1.00 0.00 C ATOM 1242 CE LYS A 80 39.247 -27.908 -32.531 1.00 0.00 C ATOM 1243 NZ LYS A 80 39.877 -26.586 -32.734 1.00 0.00 N ATOM 0 H LYS A 80 34.965 -29.095 -31.463 1.00 0.00 H new ATOM 0 HA LYS A 80 35.880 -31.463 -32.571 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.266 -29.162 -31.176 1.00 0.00 H new ATOM 0 HB3 LYS A 80 38.201 -30.562 -31.664 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.995 -30.100 -33.922 1.00 0.00 H new ATOM 0 HG3 LYS A 80 36.379 -29.440 -33.756 1.00 0.00 H new ATOM 0 HD2 LYS A 80 38.147 -27.728 -34.377 1.00 0.00 H new ATOM 0 HD3 LYS A 80 37.216 -27.318 -32.950 1.00 0.00 H new ATOM 0 HE2 LYS A 80 39.032 -28.056 -31.473 1.00 0.00 H new ATOM 0 HE3 LYS A 80 39.938 -28.696 -32.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 40.706 -26.497 -32.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 40.177 -26.493 -33.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 39.192 -25.837 -32.508 1.00 0.00 H new ATOM 1257 N TRP A 81 36.290 -31.351 -29.287 1.00 0.00 N ATOM 1258 CA TRP A 81 36.517 -32.227 -28.135 1.00 0.00 C ATOM 1259 C TRP A 81 35.374 -33.215 -27.862 1.00 0.00 C ATOM 1260 O TRP A 81 35.586 -34.276 -27.276 1.00 0.00 O ATOM 1261 CB TRP A 81 36.921 -31.445 -26.876 1.00 0.00 C ATOM 1262 CG TRP A 81 38.425 -31.386 -26.753 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.256 -30.627 -27.577 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.140 -32.453 -26.314 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.561 -31.158 -27.554 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.441 -32.320 -26.777 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.891 -33.046 -25.116 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.462 -32.780 -26.011 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.909 -33.623 -24.438 1.00 0.00 C ATOM 1270 CH2 TRP A 81 41.187 -33.476 -24.871 1.00 0.00 C ATOM 0 H TRP A 81 36.086 -30.377 -29.065 1.00 0.00 H new ATOM 0 HA TRP A 81 37.368 -32.847 -28.417 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.514 -30.435 -26.921 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.496 -31.921 -25.992 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.946 -29.763 -28.146 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.399 -30.784 -27.999 1.00 0.00 H new ATOM 0 HE3 TRP A 81 37.890 -33.056 -24.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.486 -32.596 -26.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.705 -34.202 -23.550 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.996 -33.915 -24.306 1.00 0.00 H new ATOM 1281 N VAL A 82 34.159 -32.889 -28.291 1.00 0.00 N ATOM 1282 CA VAL A 82 33.076 -33.886 -28.176 1.00 0.00 C ATOM 1283 C VAL A 82 33.289 -35.072 -29.137 1.00 0.00 C ATOM 1284 O VAL A 82 33.015 -36.225 -28.803 1.00 0.00 O ATOM 1285 CB VAL A 82 31.655 -33.276 -28.250 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.046 -33.370 -29.657 1.00 0.00 C ATOM 1287 CG2 VAL A 82 30.719 -33.981 -27.262 1.00 0.00 C ATOM 0 H VAL A 82 33.897 -31.993 -28.702 1.00 0.00 H new ATOM 0 HA VAL A 82 33.138 -34.290 -27.166 1.00 0.00 H new ATOM 0 HB VAL A 82 31.758 -32.222 -27.992 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.050 -32.928 -29.653 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.678 -32.833 -30.364 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.977 -34.416 -29.955 1.00 0.00 H new ATOM 0 HG21 VAL A 82 29.724 -33.541 -27.326 1.00 0.00 H new ATOM 0 HG22 VAL A 82 30.663 -35.042 -27.507 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.103 -33.863 -26.249 1.00 0.00 H new