USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 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 48 THR OG1 : rot -13:sc= 0.588 USER MOD Set 1.2: A 52 THR OG1 : rot 91:sc= 1.53 USER MOD Set 2.1: A 16 CYS SG : rot 129:sc= -5.22! USER MOD Set 2.2: A 39 MET CE :methyl 158:sc= -0.657 (180deg=-1.52) USER MOD Set 2.3: A 78 CYS SG : rot 164:sc= -3.98! USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.062) USER MOD Single : A 17 MET CE :methyl 175:sc= -2.66 (180deg=-2.86) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.74) USER MOD Single : A 29 ASN : amide:sc= 1.24 K(o=1.2,f=-0.085) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -44:sc= 0.591 USER MOD Single : A 37 MET CE :methyl 180:sc= -0.138 (180deg=-0.138) USER MOD Single : A 41 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.14 (180deg=1.04) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 111:sc= -0.504 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.06) USER MOD Single : A 56 MET CE :methyl 155:sc= -1.41 (180deg=-3.21!) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.09) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.54 K(o=-4.5,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 69:sc= 0.9 USER MOD Single : A 79 SER OG : rot -92:sc= 0.57 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.071 -30.102 -23.921 1.00 0.00 N ATOM 159 CA GLU A 12 27.294 -29.722 -24.653 1.00 0.00 C ATOM 160 C GLU A 12 27.117 -28.496 -25.555 1.00 0.00 C ATOM 161 O GLU A 12 27.733 -27.451 -25.330 1.00 0.00 O ATOM 162 CB GLU A 12 28.036 -30.884 -25.356 1.00 0.00 C ATOM 163 CG GLU A 12 27.149 -32.055 -25.830 1.00 0.00 C ATOM 164 CD GLU A 12 27.779 -33.395 -25.485 1.00 0.00 C ATOM 165 OE1 GLU A 12 27.925 -33.702 -24.283 1.00 0.00 O ATOM 166 OE2 GLU A 12 28.132 -34.149 -26.417 1.00 0.00 O ATOM 0 HA GLU A 12 27.972 -29.418 -23.856 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.567 -30.482 -26.219 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.789 -31.276 -24.672 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.166 -31.982 -25.365 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.998 -31.988 -26.907 1.00 0.00 H new ATOM 173 N LYS A 13 26.291 -28.609 -26.594 1.00 0.00 N ATOM 174 CA LYS A 13 26.047 -27.444 -27.438 1.00 0.00 C ATOM 175 C LYS A 13 25.475 -26.257 -26.673 1.00 0.00 C ATOM 176 O LYS A 13 25.821 -25.104 -26.946 1.00 0.00 O ATOM 177 CB LYS A 13 25.224 -27.795 -28.690 1.00 0.00 C ATOM 178 CG LYS A 13 26.092 -27.856 -29.957 1.00 0.00 C ATOM 179 CD LYS A 13 27.154 -28.965 -29.887 1.00 0.00 C ATOM 180 CE LYS A 13 26.611 -30.308 -30.389 1.00 0.00 C ATOM 181 NZ LYS A 13 26.527 -30.305 -31.862 1.00 0.00 N ATOM 0 H LYS A 13 25.797 -29.460 -26.864 1.00 0.00 H new ATOM 0 HA LYS A 13 27.026 -27.118 -27.790 1.00 0.00 H new ATOM 0 HB2 LYS A 13 24.732 -28.756 -28.542 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.438 -27.053 -28.826 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.453 -28.023 -30.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 26.584 -26.894 -30.104 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.019 -28.677 -30.484 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.498 -29.074 -28.858 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.260 -31.118 -30.056 1.00 0.00 H new ATOM 0 HE3 LYS A 13 25.625 -30.493 -29.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.356 -31.273 -32.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.746 -29.688 -32.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.420 -29.952 -32.260 1.00 0.00 H new ATOM 195 N ASP A 14 24.635 -26.522 -25.675 1.00 0.00 N ATOM 196 CA ASP A 14 24.158 -25.401 -24.877 1.00 0.00 C ATOM 197 C ASP A 14 25.264 -24.753 -24.055 1.00 0.00 C ATOM 198 O ASP A 14 25.416 -23.535 -24.052 1.00 0.00 O ATOM 199 CB ASP A 14 22.977 -25.758 -23.972 1.00 0.00 C ATOM 200 CG ASP A 14 22.102 -24.549 -23.667 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.370 -24.092 -24.570 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.143 -24.053 -22.521 1.00 0.00 O ATOM 0 H ASP A 14 24.289 -27.445 -25.411 1.00 0.00 H new ATOM 0 HA ASP A 14 23.804 -24.676 -25.610 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.374 -26.529 -24.451 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.351 -26.179 -23.039 1.00 0.00 H new ATOM 207 N GLU A 15 26.079 -25.561 -23.387 1.00 0.00 N ATOM 208 CA GLU A 15 27.140 -24.975 -22.566 1.00 0.00 C ATOM 209 C GLU A 15 28.123 -24.122 -23.340 1.00 0.00 C ATOM 210 O GLU A 15 28.420 -22.987 -22.963 1.00 0.00 O ATOM 211 CB GLU A 15 27.918 -26.024 -21.758 1.00 0.00 C ATOM 212 CG GLU A 15 27.223 -26.365 -20.430 1.00 0.00 C ATOM 213 CD GLU A 15 27.003 -25.141 -19.544 1.00 0.00 C ATOM 214 OE1 GLU A 15 27.961 -24.696 -18.880 1.00 0.00 O ATOM 215 OE2 GLU A 15 25.865 -24.620 -19.511 1.00 0.00 O ATOM 0 H GLU A 15 26.035 -26.580 -23.392 1.00 0.00 H new ATOM 0 HA GLU A 15 26.599 -24.322 -21.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.027 -26.931 -22.353 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.923 -25.653 -21.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.261 -26.834 -20.639 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.823 -27.096 -19.889 1.00 0.00 H new ATOM 222 N CYS A 16 28.644 -24.659 -24.426 1.00 0.00 N ATOM 223 CA CYS A 16 29.681 -23.868 -25.138 1.00 0.00 C ATOM 224 C CYS A 16 29.031 -22.722 -25.935 1.00 0.00 C ATOM 225 O CYS A 16 29.660 -21.673 -26.066 1.00 0.00 O ATOM 226 CB CYS A 16 30.482 -24.749 -26.121 1.00 0.00 C ATOM 227 SG CYS A 16 31.805 -23.714 -26.827 1.00 0.00 S ATOM 0 H CYS A 16 28.405 -25.566 -24.827 1.00 0.00 H new ATOM 0 HA CYS A 16 30.355 -23.466 -24.381 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.904 -25.612 -25.606 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.833 -25.133 -26.909 1.00 0.00 H new ATOM 0 HG CYS A 16 32.945 -24.328 -26.710 1.00 0.00 H new ATOM 233 N MET A 17 27.796 -22.835 -26.459 1.00 0.00 N ATOM 234 CA MET A 17 27.208 -21.607 -27.049 1.00 0.00 C ATOM 235 C MET A 17 26.575 -20.655 -26.006 1.00 0.00 C ATOM 236 O MET A 17 26.247 -19.510 -26.313 1.00 0.00 O ATOM 237 CB MET A 17 26.420 -21.778 -28.357 1.00 0.00 C ATOM 238 CG MET A 17 27.074 -20.920 -29.469 1.00 0.00 C ATOM 239 SD MET A 17 28.873 -21.211 -29.444 1.00 0.00 S ATOM 240 CE MET A 17 29.446 -20.425 -30.968 1.00 0.00 C ATOM 0 H MET A 17 27.225 -23.679 -26.491 1.00 0.00 H new ATOM 0 HA MET A 17 28.082 -21.069 -27.415 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.408 -22.827 -28.652 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.383 -21.475 -28.212 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.661 -21.184 -30.443 1.00 0.00 H new ATOM 0 HG3 MET A 17 26.859 -19.864 -29.308 1.00 0.00 H new ATOM 0 HE1 MET A 17 30.534 -20.464 -31.010 1.00 0.00 H new ATOM 0 HE2 MET A 17 29.030 -20.951 -31.827 1.00 0.00 H new ATOM 0 HE3 MET A 17 29.119 -19.385 -30.986 1.00 0.00 H new ATOM 250 N LYS A 18 26.465 -21.099 -24.754 1.00 0.00 N ATOM 251 CA LYS A 18 26.072 -20.173 -23.689 1.00 0.00 C ATOM 252 C LYS A 18 27.271 -19.401 -23.142 1.00 0.00 C ATOM 253 O LYS A 18 27.198 -18.204 -22.876 1.00 0.00 O ATOM 254 CB LYS A 18 25.353 -20.907 -22.554 1.00 0.00 C ATOM 255 CG LYS A 18 24.343 -20.027 -21.818 1.00 0.00 C ATOM 256 CD LYS A 18 23.043 -20.807 -21.615 1.00 0.00 C ATOM 257 CE LYS A 18 23.119 -21.718 -20.384 1.00 0.00 C ATOM 258 NZ LYS A 18 23.748 -23.004 -20.741 1.00 0.00 N ATOM 0 H LYS A 18 26.635 -22.060 -24.457 1.00 0.00 H new ATOM 0 HA LYS A 18 25.381 -19.455 -24.130 1.00 0.00 H new ATOM 0 HB2 LYS A 18 24.839 -21.778 -22.960 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.092 -21.276 -21.842 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.748 -19.717 -20.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.150 -19.119 -22.390 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.213 -20.109 -21.502 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.836 -21.407 -22.501 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.693 -21.230 -19.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.118 -21.892 -19.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.527 -23.713 -20.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.382 -23.326 -21.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.779 -22.881 -20.803 1.00 0.00 H new ATOM 272 N ILE A 19 28.375 -20.108 -22.922 1.00 0.00 N ATOM 273 CA ILE A 19 29.642 -19.406 -22.673 1.00 0.00 C ATOM 274 C ILE A 19 29.968 -18.437 -23.824 1.00 0.00 C ATOM 275 O ILE A 19 30.362 -17.291 -23.621 1.00 0.00 O ATOM 276 CB ILE A 19 30.779 -20.416 -22.390 1.00 0.00 C ATOM 277 CG1 ILE A 19 31.487 -20.136 -21.055 1.00 0.00 C ATOM 278 CG2 ILE A 19 31.810 -20.489 -23.501 1.00 0.00 C ATOM 279 CD1 ILE A 19 32.319 -18.857 -21.057 1.00 0.00 C ATOM 0 H ILE A 19 28.427 -21.127 -22.909 1.00 0.00 H new ATOM 0 HA ILE A 19 29.539 -18.794 -21.777 1.00 0.00 H new ATOM 0 HB ILE A 19 30.281 -21.384 -22.333 1.00 0.00 H new ATOM 0 HG12 ILE A 19 30.739 -20.071 -20.264 1.00 0.00 H new ATOM 0 HG13 ILE A 19 32.134 -20.979 -20.813 1.00 0.00 H new ATOM 0 HG21 ILE A 19 32.578 -21.216 -23.237 1.00 0.00 H new ATOM 0 HG22 ILE A 19 31.325 -20.794 -24.428 1.00 0.00 H new ATOM 0 HG23 ILE A 19 32.269 -19.510 -23.637 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.788 -18.726 -20.082 1.00 0.00 H new ATOM 0 HD12 ILE A 19 33.090 -18.926 -21.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.674 -18.004 -21.266 1.00 0.00 H new ATOM 291 N PHE A 20 29.785 -18.926 -25.047 1.00 0.00 N ATOM 292 CA PHE A 20 29.941 -18.064 -26.220 1.00 0.00 C ATOM 293 C PHE A 20 29.050 -16.821 -26.146 1.00 0.00 C ATOM 294 O PHE A 20 29.510 -15.690 -26.258 1.00 0.00 O ATOM 295 CB PHE A 20 29.656 -18.851 -27.516 1.00 0.00 C ATOM 296 CG PHE A 20 30.334 -18.238 -28.721 1.00 0.00 C ATOM 297 CD1 PHE A 20 29.777 -17.164 -29.318 1.00 0.00 C ATOM 298 CD2 PHE A 20 31.622 -18.541 -28.989 1.00 0.00 C ATOM 299 CE1 PHE A 20 30.576 -16.229 -29.890 1.00 0.00 C ATOM 300 CE2 PHE A 20 32.449 -17.566 -29.439 1.00 0.00 C ATOM 301 CZ PHE A 20 31.924 -16.384 -29.847 1.00 0.00 C ATOM 0 H PHE A 20 29.534 -19.893 -25.253 1.00 0.00 H new ATOM 0 HA PHE A 20 30.976 -17.724 -26.231 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.995 -19.880 -27.396 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.580 -18.888 -27.687 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.703 -17.050 -29.340 1.00 0.00 H new ATOM 0 HD2 PHE A 20 31.989 -19.547 -28.847 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.143 -15.367 -30.376 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.516 -17.729 -29.472 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.574 -15.571 -30.136 1.00 0.00 H new ATOM 311 N ASP A 21 27.770 -17.039 -25.893 1.00 0.00 N ATOM 312 CA ASP A 21 26.840 -15.902 -25.810 1.00 0.00 C ATOM 313 C ASP A 21 27.070 -14.988 -24.600 1.00 0.00 C ATOM 314 O ASP A 21 27.006 -13.764 -24.697 1.00 0.00 O ATOM 315 CB ASP A 21 25.384 -16.387 -25.849 1.00 0.00 C ATOM 316 CG ASP A 21 24.438 -15.339 -26.418 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.048 -14.412 -25.676 1.00 0.00 O ATOM 318 OD2 ASP A 21 24.077 -15.439 -27.610 1.00 0.00 O ATOM 0 H ASP A 21 27.352 -17.957 -25.744 1.00 0.00 H new ATOM 0 HA ASP A 21 27.047 -15.290 -26.688 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.322 -17.294 -26.451 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.065 -16.651 -24.841 1.00 0.00 H new ATOM 323 N ILE A 22 27.342 -15.583 -23.449 1.00 0.00 N ATOM 324 CA ILE A 22 27.633 -14.741 -22.267 1.00 0.00 C ATOM 325 C ILE A 22 28.974 -14.006 -22.406 1.00 0.00 C ATOM 326 O ILE A 22 29.064 -12.793 -22.211 1.00 0.00 O ATOM 327 CB ILE A 22 27.546 -15.427 -20.870 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.138 -15.983 -20.594 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.887 -14.406 -19.782 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.209 -17.195 -19.663 1.00 0.00 C ATOM 0 H ILE A 22 27.371 -16.591 -23.295 1.00 0.00 H new ATOM 0 HA ILE A 22 26.804 -14.033 -22.276 1.00 0.00 H new ATOM 0 HB ILE A 22 28.253 -16.256 -20.863 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.517 -15.208 -20.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.663 -16.267 -21.533 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.827 -14.883 -18.804 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.897 -14.029 -19.941 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.180 -13.578 -19.826 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.203 -17.573 -19.480 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.811 -17.976 -20.127 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.663 -16.901 -18.717 1.00 0.00 H new ATOM 342 N PHE A 23 30.022 -14.745 -22.737 1.00 0.00 N ATOM 343 CA PHE A 23 31.352 -14.128 -22.791 1.00 0.00 C ATOM 344 C PHE A 23 31.579 -13.273 -24.035 1.00 0.00 C ATOM 345 O PHE A 23 32.158 -12.190 -23.962 1.00 0.00 O ATOM 346 CB PHE A 23 32.481 -15.161 -22.655 1.00 0.00 C ATOM 347 CG PHE A 23 32.602 -15.687 -21.228 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.492 -16.038 -20.535 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.800 -15.711 -20.595 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.506 -15.965 -19.181 1.00 0.00 C ATOM 351 CE2 PHE A 23 33.827 -15.606 -19.243 1.00 0.00 C ATOM 352 CZ PHE A 23 32.671 -15.698 -18.536 1.00 0.00 C ATOM 0 H PHE A 23 29.990 -15.738 -22.966 1.00 0.00 H new ATOM 0 HA PHE A 23 31.381 -13.462 -21.929 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.295 -15.993 -23.334 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.426 -14.708 -22.956 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.606 -16.372 -21.055 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.717 -15.812 -21.157 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.597 -16.118 -18.619 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.765 -15.450 -18.730 1.00 0.00 H new ATOM 0 HZ PHE A 23 32.678 -15.559 -17.465 1.00 0.00 H new ATOM 362 N ASP A 24 31.126 -13.743 -25.192 1.00 0.00 N ATOM 363 CA ASP A 24 31.374 -12.956 -26.398 1.00 0.00 C ATOM 364 C ASP A 24 30.521 -11.665 -26.454 1.00 0.00 C ATOM 365 O ASP A 24 30.923 -10.651 -27.026 1.00 0.00 O ATOM 366 CB ASP A 24 31.254 -13.786 -27.692 1.00 0.00 C ATOM 367 CG ASP A 24 29.993 -13.494 -28.507 1.00 0.00 C ATOM 368 OD1 ASP A 24 28.885 -13.876 -28.072 1.00 0.00 O ATOM 369 OD2 ASP A 24 30.110 -12.888 -29.593 1.00 0.00 O ATOM 0 H ASP A 24 30.613 -14.615 -25.322 1.00 0.00 H new ATOM 0 HA ASP A 24 32.415 -12.639 -26.333 1.00 0.00 H new ATOM 0 HB2 ASP A 24 32.128 -13.596 -28.315 1.00 0.00 H new ATOM 0 HB3 ASP A 24 31.270 -14.845 -27.434 1.00 0.00 H new ATOM 437 N ASN A 29 33.288 -10.513 -28.620 1.00 0.00 N ATOM 438 CA ASN A 29 33.178 -11.275 -29.885 1.00 0.00 C ATOM 439 C ASN A 29 34.421 -12.137 -30.178 1.00 0.00 C ATOM 440 O ASN A 29 34.391 -13.040 -31.014 1.00 0.00 O ATOM 441 CB ASN A 29 32.704 -10.446 -31.103 1.00 0.00 C ATOM 442 CG ASN A 29 31.414 -9.663 -30.818 1.00 0.00 C ATOM 443 OD1 ASN A 29 31.385 -8.438 -30.905 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.326 -10.345 -30.499 1.00 0.00 N ATOM 0 HA ASN A 29 32.360 -11.974 -29.710 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.491 -9.750 -31.392 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.541 -11.112 -31.950 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.450 -9.854 -30.322 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.363 -11.362 -30.430 1.00 0.00 H new ATOM 451 N ILE A 30 35.516 -11.850 -29.482 1.00 0.00 N ATOM 452 CA ILE A 30 36.660 -12.755 -29.525 1.00 0.00 C ATOM 453 C ILE A 30 37.129 -12.920 -28.073 1.00 0.00 C ATOM 454 O ILE A 30 37.810 -12.069 -27.500 1.00 0.00 O ATOM 455 CB ILE A 30 37.778 -12.412 -30.546 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.668 -11.225 -30.126 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.195 -12.146 -31.936 1.00 0.00 C ATOM 458 CD1 ILE A 30 37.965 -9.868 -30.154 1.00 0.00 C ATOM 0 H ILE A 30 35.636 -11.023 -28.897 1.00 0.00 H new ATOM 0 HA ILE A 30 36.344 -13.712 -29.940 1.00 0.00 H new ATOM 0 HB ILE A 30 38.418 -13.294 -30.573 1.00 0.00 H new ATOM 0 HG12 ILE A 30 39.042 -11.406 -29.118 1.00 0.00 H new ATOM 0 HG13 ILE A 30 39.535 -11.185 -30.786 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.002 -11.908 -32.630 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.666 -13.033 -32.285 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.501 -11.307 -31.885 1.00 0.00 H new ATOM 0 HD11 ILE A 30 38.663 -9.090 -29.845 1.00 0.00 H new ATOM 0 HD12 ILE A 30 37.615 -9.660 -31.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 37.115 -9.884 -29.472 1.00 0.00 H new ATOM 470 N ALA A 31 36.662 -13.982 -27.435 1.00 0.00 N ATOM 471 CA ALA A 31 36.911 -14.112 -25.993 1.00 0.00 C ATOM 472 C ALA A 31 38.294 -14.717 -25.689 1.00 0.00 C ATOM 473 O ALA A 31 38.657 -15.737 -26.264 1.00 0.00 O ATOM 474 CB ALA A 31 35.800 -14.901 -25.309 1.00 0.00 C ATOM 0 H ALA A 31 36.130 -14.740 -27.862 1.00 0.00 H new ATOM 0 HA ALA A 31 36.911 -13.103 -25.581 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.013 -14.980 -24.243 1.00 0.00 H new ATOM 0 HB2 ALA A 31 34.849 -14.388 -25.452 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.743 -15.899 -25.742 1.00 0.00 H new ATOM 480 N PRO A 32 39.077 -14.162 -24.755 1.00 0.00 N ATOM 481 CA PRO A 32 40.490 -14.554 -24.661 1.00 0.00 C ATOM 482 C PRO A 32 40.695 -15.817 -23.790 1.00 0.00 C ATOM 483 O PRO A 32 39.759 -16.534 -23.438 1.00 0.00 O ATOM 484 CB PRO A 32 41.150 -13.323 -24.010 1.00 0.00 C ATOM 485 CG PRO A 32 40.025 -12.459 -23.433 1.00 0.00 C ATOM 486 CD PRO A 32 38.753 -12.863 -24.170 1.00 0.00 C ATOM 0 HA PRO A 32 40.912 -14.817 -25.631 1.00 0.00 H new ATOM 0 HB2 PRO A 32 41.842 -13.628 -23.225 1.00 0.00 H new ATOM 0 HB3 PRO A 32 41.728 -12.762 -24.745 1.00 0.00 H new ATOM 0 HG2 PRO A 32 39.921 -12.622 -22.360 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.237 -11.399 -23.575 1.00 0.00 H new ATOM 0 HD2 PRO A 32 37.904 -12.933 -23.490 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.489 -12.135 -24.937 1.00 0.00 H new ATOM 494 N VAL A 33 41.953 -16.085 -23.450 1.00 0.00 N ATOM 495 CA VAL A 33 42.266 -17.233 -22.559 1.00 0.00 C ATOM 496 C VAL A 33 41.610 -17.134 -21.173 1.00 0.00 C ATOM 497 O VAL A 33 41.076 -18.113 -20.651 1.00 0.00 O ATOM 498 CB VAL A 33 43.775 -17.481 -22.336 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.294 -18.566 -23.285 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.598 -16.196 -22.484 1.00 0.00 C ATOM 0 H VAL A 33 42.763 -15.548 -23.760 1.00 0.00 H new ATOM 0 HA VAL A 33 41.845 -18.072 -23.113 1.00 0.00 H new ATOM 0 HB VAL A 33 43.895 -17.828 -21.310 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.358 -18.724 -23.110 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.755 -19.496 -23.104 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.139 -18.251 -24.317 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.652 -16.418 -22.319 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.465 -15.792 -23.488 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.263 -15.463 -21.751 1.00 0.00 H new ATOM 510 N SER A 34 41.708 -15.971 -20.531 1.00 0.00 N ATOM 511 CA SER A 34 41.051 -15.811 -19.218 1.00 0.00 C ATOM 512 C SER A 34 39.564 -16.210 -19.253 1.00 0.00 C ATOM 513 O SER A 34 39.021 -16.795 -18.312 1.00 0.00 O ATOM 514 CB SER A 34 41.202 -14.401 -18.656 1.00 0.00 C ATOM 515 OG SER A 34 42.579 -14.056 -18.566 1.00 0.00 O ATOM 0 H SER A 34 42.211 -15.152 -20.873 1.00 0.00 H new ATOM 0 HA SER A 34 41.570 -16.497 -18.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 40.682 -13.688 -19.296 1.00 0.00 H new ATOM 0 HB3 SER A 34 40.739 -14.342 -17.671 1.00 0.00 H new ATOM 0 HG SER A 34 42.666 -13.149 -18.206 1.00 0.00 H new ATOM 521 N ASP A 35 38.908 -15.869 -20.358 1.00 0.00 N ATOM 522 CA ASP A 35 37.562 -16.390 -20.611 1.00 0.00 C ATOM 523 C ASP A 35 37.492 -17.937 -20.559 1.00 0.00 C ATOM 524 O ASP A 35 36.574 -18.521 -19.985 1.00 0.00 O ATOM 525 CB ASP A 35 37.015 -15.765 -21.914 1.00 0.00 C ATOM 526 CG ASP A 35 36.433 -16.769 -22.901 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.203 -17.560 -23.484 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.205 -16.745 -23.124 1.00 0.00 O ATOM 0 H ASP A 35 39.273 -15.248 -21.080 1.00 0.00 H new ATOM 0 HA ASP A 35 36.900 -16.086 -19.800 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.244 -15.038 -21.658 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.819 -15.217 -22.405 1.00 0.00 H new ATOM 533 N THR A 36 38.489 -18.591 -21.153 1.00 0.00 N ATOM 534 CA THR A 36 38.577 -20.060 -21.059 1.00 0.00 C ATOM 535 C THR A 36 38.721 -20.563 -19.605 1.00 0.00 C ATOM 536 O THR A 36 38.271 -21.658 -19.266 1.00 0.00 O ATOM 537 CB THR A 36 39.673 -20.625 -21.994 1.00 0.00 C ATOM 538 OG1 THR A 36 39.340 -20.320 -23.340 1.00 0.00 O ATOM 539 CG2 THR A 36 39.825 -22.144 -21.871 1.00 0.00 C ATOM 0 H THR A 36 39.233 -18.148 -21.693 1.00 0.00 H new ATOM 0 HA THR A 36 37.623 -20.453 -21.410 1.00 0.00 H new ATOM 0 HB THR A 36 40.616 -20.165 -21.699 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.389 -20.501 -23.491 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.607 -22.487 -22.548 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.094 -22.401 -20.846 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.883 -22.626 -22.130 1.00 0.00 H new ATOM 547 N MET A 37 39.336 -19.764 -18.731 1.00 0.00 N ATOM 548 CA MET A 37 39.380 -20.157 -17.313 1.00 0.00 C ATOM 549 C MET A 37 38.025 -20.007 -16.608 1.00 0.00 C ATOM 550 O MET A 37 37.571 -20.916 -15.912 1.00 0.00 O ATOM 551 CB MET A 37 40.470 -19.412 -16.538 1.00 0.00 C ATOM 552 CG MET A 37 41.869 -19.826 -16.993 1.00 0.00 C ATOM 553 SD MET A 37 42.300 -18.971 -18.513 1.00 0.00 S ATOM 554 CE MET A 37 42.568 -20.395 -19.577 1.00 0.00 C ATOM 0 H MET A 37 39.792 -18.881 -18.959 1.00 0.00 H new ATOM 0 HA MET A 37 39.630 -21.218 -17.316 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.345 -18.338 -16.676 1.00 0.00 H new ATOM 0 HB3 MET A 37 40.360 -19.611 -15.472 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.597 -19.592 -16.216 1.00 0.00 H new ATOM 0 HG3 MET A 37 41.905 -20.904 -17.150 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.847 -20.056 -20.575 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.368 -21.011 -19.166 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.652 -20.982 -19.636 1.00 0.00 H new ATOM 564 N ASP A 38 37.386 -18.843 -16.748 1.00 0.00 N ATOM 565 CA ASP A 38 36.003 -18.719 -16.244 1.00 0.00 C ATOM 566 C ASP A 38 35.094 -19.822 -16.808 1.00 0.00 C ATOM 567 O ASP A 38 34.369 -20.512 -16.086 1.00 0.00 O ATOM 568 CB ASP A 38 35.388 -17.351 -16.566 1.00 0.00 C ATOM 569 CG ASP A 38 34.253 -17.005 -15.610 1.00 0.00 C ATOM 570 OD1 ASP A 38 33.096 -17.387 -15.889 1.00 0.00 O ATOM 571 OD2 ASP A 38 34.511 -16.352 -14.577 1.00 0.00 O ATOM 0 H ASP A 38 37.774 -18.006 -17.183 1.00 0.00 H new ATOM 0 HA ASP A 38 36.069 -18.825 -15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.159 -16.583 -16.509 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.014 -17.352 -17.590 1.00 0.00 H new ATOM 576 N MET A 39 35.162 -19.972 -18.128 1.00 0.00 N ATOM 577 CA MET A 39 34.478 -21.082 -18.791 1.00 0.00 C ATOM 578 C MET A 39 34.650 -22.415 -18.085 1.00 0.00 C ATOM 579 O MET A 39 33.732 -22.936 -17.462 1.00 0.00 O ATOM 580 CB MET A 39 35.008 -21.202 -20.225 1.00 0.00 C ATOM 581 CG MET A 39 34.392 -22.354 -21.028 1.00 0.00 C ATOM 582 SD MET A 39 35.678 -23.148 -22.009 1.00 0.00 S ATOM 583 CE MET A 39 34.667 -23.889 -23.303 1.00 0.00 C ATOM 0 H MET A 39 35.675 -19.350 -18.753 1.00 0.00 H new ATOM 0 HA MET A 39 33.412 -20.855 -18.772 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.818 -20.266 -20.750 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.089 -21.335 -20.191 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.933 -23.078 -20.354 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.602 -21.978 -21.678 1.00 0.00 H new ATOM 0 HE1 MET A 39 35.282 -24.077 -24.183 1.00 0.00 H new ATOM 0 HE2 MET A 39 34.250 -24.830 -22.945 1.00 0.00 H new ATOM 0 HE3 MET A 39 33.856 -23.209 -23.566 1.00 0.00 H new ATOM 593 N LEU A 40 35.863 -22.935 -18.121 1.00 0.00 N ATOM 594 CA LEU A 40 36.066 -24.305 -17.639 1.00 0.00 C ATOM 595 C LEU A 40 35.980 -24.457 -16.116 1.00 0.00 C ATOM 596 O LEU A 40 35.923 -25.567 -15.587 1.00 0.00 O ATOM 597 CB LEU A 40 37.311 -24.930 -18.275 1.00 0.00 C ATOM 598 CG LEU A 40 37.241 -24.808 -19.809 1.00 0.00 C ATOM 599 CD1 LEU A 40 38.605 -25.056 -20.429 1.00 0.00 C ATOM 600 CD2 LEU A 40 36.227 -25.797 -20.386 1.00 0.00 C ATOM 0 H LEU A 40 36.698 -22.459 -18.463 1.00 0.00 H new ATOM 0 HA LEU A 40 35.215 -24.893 -17.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.207 -24.433 -17.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.387 -25.979 -17.989 1.00 0.00 H new ATOM 0 HG LEU A 40 36.921 -23.794 -20.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 38.534 -24.965 -21.513 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.316 -24.322 -20.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.945 -26.059 -20.170 1.00 0.00 H new ATOM 0 HD21 LEU A 40 36.194 -25.693 -21.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 36.523 -26.814 -20.128 1.00 0.00 H new ATOM 0 HD23 LEU A 40 35.240 -25.590 -19.972 1.00 0.00 H new ATOM 612 N THR A 41 35.938 -23.339 -15.401 1.00 0.00 N ATOM 613 CA THR A 41 35.568 -23.405 -13.985 1.00 0.00 C ATOM 614 C THR A 41 34.052 -23.641 -13.821 1.00 0.00 C ATOM 615 O THR A 41 33.611 -24.413 -12.969 1.00 0.00 O ATOM 616 CB THR A 41 36.017 -22.163 -13.197 1.00 0.00 C ATOM 617 OG1 THR A 41 37.384 -21.896 -13.479 1.00 0.00 O ATOM 618 CG2 THR A 41 35.860 -22.376 -11.690 1.00 0.00 C ATOM 0 H THR A 41 36.146 -22.406 -15.757 1.00 0.00 H new ATOM 0 HA THR A 41 36.101 -24.256 -13.562 1.00 0.00 H new ATOM 0 HB THR A 41 35.390 -21.324 -13.500 1.00 0.00 H new ATOM 0 HG1 THR A 41 37.449 -21.320 -14.270 1.00 0.00 H new ATOM 0 HG21 THR A 41 36.186 -21.481 -11.160 1.00 0.00 H new ATOM 0 HG22 THR A 41 34.814 -22.575 -11.458 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.469 -23.224 -11.377 1.00 0.00 H new ATOM 626 N LYS A 42 33.249 -22.981 -14.660 1.00 0.00 N ATOM 627 CA LYS A 42 31.791 -23.151 -14.563 1.00 0.00 C ATOM 628 C LYS A 42 31.208 -24.221 -15.497 1.00 0.00 C ATOM 629 O LYS A 42 30.375 -25.031 -15.090 1.00 0.00 O ATOM 630 CB LYS A 42 31.056 -21.820 -14.765 1.00 0.00 C ATOM 631 CG LYS A 42 31.155 -20.937 -13.516 1.00 0.00 C ATOM 632 CD LYS A 42 31.486 -19.485 -13.876 1.00 0.00 C ATOM 633 CE LYS A 42 30.357 -18.821 -14.672 1.00 0.00 C ATOM 634 NZ LYS A 42 30.704 -17.412 -14.925 1.00 0.00 N ATOM 0 H LYS A 42 33.566 -22.344 -15.391 1.00 0.00 H new ATOM 0 HA LYS A 42 31.625 -23.512 -13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 31.480 -21.294 -15.620 1.00 0.00 H new ATOM 0 HB3 LYS A 42 30.008 -22.012 -14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.212 -20.971 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.923 -21.332 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 42 31.669 -18.918 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 42 32.407 -19.456 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 42 30.205 -19.345 -15.615 1.00 0.00 H new ATOM 0 HE3 LYS A 42 29.420 -18.883 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 30.231 -17.089 -15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 30.392 -16.828 -14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.734 -17.323 -15.038 1.00 0.00 H new ATOM 648 N LEU A 43 31.609 -24.189 -16.765 1.00 0.00 N ATOM 649 CA LEU A 43 31.102 -25.155 -17.734 1.00 0.00 C ATOM 650 C LEU A 43 31.121 -26.628 -17.297 1.00 0.00 C ATOM 651 O LEU A 43 30.282 -27.426 -17.716 1.00 0.00 O ATOM 652 CB LEU A 43 31.904 -24.965 -19.030 1.00 0.00 C ATOM 653 CG LEU A 43 31.064 -24.361 -20.153 1.00 0.00 C ATOM 654 CD1 LEU A 43 30.634 -22.910 -19.939 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.866 -24.394 -21.446 1.00 0.00 C ATOM 0 H LEU A 43 32.275 -23.514 -17.142 1.00 0.00 H new ATOM 0 HA LEU A 43 30.040 -24.947 -17.860 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.760 -24.319 -18.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.299 -25.928 -19.354 1.00 0.00 H new ATOM 0 HG LEU A 43 30.158 -24.967 -20.182 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.043 -22.576 -20.792 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.034 -22.838 -19.032 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.518 -22.279 -19.841 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.273 -23.964 -22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.782 -23.816 -21.321 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.119 -25.426 -21.691 1.00 0.00 H new ATOM 667 N GLY A 44 32.088 -27.003 -16.468 1.00 0.00 N ATOM 668 CA GLY A 44 32.103 -28.398 -16.000 1.00 0.00 C ATOM 669 C GLY A 44 33.428 -28.805 -15.344 1.00 0.00 C ATOM 670 O GLY A 44 33.778 -29.985 -15.316 1.00 0.00 O ATOM 0 H GLY A 44 32.836 -26.405 -16.117 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.293 -28.543 -15.286 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.906 -29.059 -16.844 1.00 0.00 H new ATOM 674 N GLN A 45 34.161 -27.844 -14.785 1.00 0.00 N ATOM 675 CA GLN A 45 35.423 -28.187 -14.104 1.00 0.00 C ATOM 676 C GLN A 45 36.453 -28.882 -15.013 1.00 0.00 C ATOM 677 O GLN A 45 36.757 -30.066 -14.862 1.00 0.00 O ATOM 678 CB GLN A 45 35.187 -28.970 -12.801 1.00 0.00 C ATOM 679 CG GLN A 45 36.403 -28.896 -11.867 1.00 0.00 C ATOM 680 CD GLN A 45 36.131 -29.618 -10.553 1.00 0.00 C ATOM 681 OE1 GLN A 45 36.380 -30.813 -10.408 1.00 0.00 O ATOM 682 NE2 GLN A 45 35.619 -28.897 -9.575 1.00 0.00 N ATOM 0 H GLN A 45 33.921 -26.853 -14.784 1.00 0.00 H new ATOM 0 HA GLN A 45 35.870 -27.230 -13.834 1.00 0.00 H new ATOM 0 HB2 GLN A 45 34.311 -28.571 -12.290 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.972 -30.012 -13.036 1.00 0.00 H new ATOM 0 HG2 GLN A 45 37.269 -29.340 -12.357 1.00 0.00 H new ATOM 0 HG3 GLN A 45 36.650 -27.853 -11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 45 35.421 -27.907 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 35.421 -29.329 -8.673 1.00 0.00 H new ATOM 691 N THR A 46 37.019 -28.122 -15.951 1.00 0.00 N ATOM 692 CA THR A 46 38.065 -28.682 -16.832 1.00 0.00 C ATOM 693 C THR A 46 37.566 -29.915 -17.644 1.00 0.00 C ATOM 694 O THR A 46 36.365 -30.181 -17.715 1.00 0.00 O ATOM 695 CB THR A 46 39.468 -28.804 -16.150 1.00 0.00 C ATOM 696 OG1 THR A 46 39.948 -30.139 -16.231 1.00 0.00 O ATOM 697 CG2 THR A 46 39.474 -28.389 -14.674 1.00 0.00 C ATOM 0 H THR A 46 36.786 -27.144 -16.124 1.00 0.00 H new ATOM 0 HA THR A 46 38.264 -27.940 -17.605 1.00 0.00 H new ATOM 0 HB THR A 46 40.114 -28.117 -16.697 1.00 0.00 H new ATOM 0 HG1 THR A 46 40.714 -30.175 -16.841 1.00 0.00 H new ATOM 0 HG21 THR A 46 40.480 -28.500 -14.269 1.00 0.00 H new ATOM 0 HG22 THR A 46 39.161 -27.349 -14.587 1.00 0.00 H new ATOM 0 HG23 THR A 46 38.786 -29.023 -14.115 1.00 0.00 H new ATOM 705 N TYR A 47 38.469 -30.633 -18.315 1.00 0.00 N ATOM 706 CA TYR A 47 38.017 -31.776 -19.124 1.00 0.00 C ATOM 707 C TYR A 47 38.819 -33.050 -18.773 1.00 0.00 C ATOM 708 O TYR A 47 38.570 -33.691 -17.752 1.00 0.00 O ATOM 709 CB TYR A 47 38.069 -31.464 -20.628 1.00 0.00 C ATOM 710 CG TYR A 47 36.757 -30.947 -21.209 1.00 0.00 C ATOM 711 CD1 TYR A 47 36.565 -29.610 -21.332 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.902 -31.791 -21.846 1.00 0.00 C ATOM 713 CE1 TYR A 47 35.327 -29.144 -21.656 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.663 -31.334 -22.190 1.00 0.00 C ATOM 715 CZ TYR A 47 34.372 -30.014 -22.067 1.00 0.00 C ATOM 716 OH TYR A 47 33.120 -29.558 -22.383 1.00 0.00 O ATOM 0 H TYR A 47 39.474 -30.459 -18.320 1.00 0.00 H new ATOM 0 HA TYR A 47 36.972 -31.965 -18.879 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.848 -30.723 -20.806 1.00 0.00 H new ATOM 0 HB3 TYR A 47 38.359 -32.367 -21.164 1.00 0.00 H new ATOM 0 HD1 TYR A 47 37.384 -28.923 -21.175 1.00 0.00 H new ATOM 0 HD2 TYR A 47 36.198 -32.804 -22.075 1.00 0.00 H new ATOM 0 HE1 TYR A 47 35.108 -28.089 -21.586 1.00 0.00 H new ATOM 0 HE2 TYR A 47 33.916 -32.021 -22.559 1.00 0.00 H new ATOM 0 HH TYR A 47 32.558 -30.311 -22.660 1.00 0.00 H new ATOM 726 N THR A 48 39.798 -33.417 -19.608 1.00 0.00 N ATOM 727 CA THR A 48 40.634 -34.577 -19.270 1.00 0.00 C ATOM 728 C THR A 48 41.963 -34.137 -18.635 1.00 0.00 C ATOM 729 O THR A 48 42.067 -34.003 -17.416 1.00 0.00 O ATOM 730 CB THR A 48 40.846 -35.519 -20.470 1.00 0.00 C ATOM 731 OG1 THR A 48 41.326 -34.768 -21.579 1.00 0.00 O ATOM 732 CG2 THR A 48 39.538 -36.206 -20.866 1.00 0.00 C ATOM 0 H THR A 48 40.026 -32.952 -20.487 1.00 0.00 H new ATOM 0 HA THR A 48 40.092 -35.158 -18.524 1.00 0.00 H new ATOM 0 HB THR A 48 41.570 -36.282 -20.184 1.00 0.00 H new ATOM 0 HG1 THR A 48 41.220 -33.811 -21.396 1.00 0.00 H new ATOM 0 HG21 THR A 48 39.716 -36.865 -21.716 1.00 0.00 H new ATOM 0 HG22 THR A 48 39.165 -36.791 -20.025 1.00 0.00 H new ATOM 0 HG23 THR A 48 38.800 -35.452 -21.140 1.00 0.00 H new ATOM 740 N LYS A 49 42.989 -33.906 -19.455 1.00 0.00 N ATOM 741 CA LYS A 49 44.257 -33.419 -18.893 1.00 0.00 C ATOM 742 C LYS A 49 45.163 -32.756 -19.942 1.00 0.00 C ATOM 743 O LYS A 49 45.346 -31.540 -19.935 1.00 0.00 O ATOM 744 CB LYS A 49 45.006 -34.492 -18.075 1.00 0.00 C ATOM 745 CG LYS A 49 46.343 -33.989 -17.502 1.00 0.00 C ATOM 746 CD LYS A 49 46.161 -32.746 -16.622 1.00 0.00 C ATOM 747 CE LYS A 49 47.470 -32.377 -15.917 1.00 0.00 C ATOM 748 NZ LYS A 49 47.635 -30.911 -15.900 1.00 0.00 N ATOM 0 H LYS A 49 42.977 -34.039 -20.466 1.00 0.00 H new ATOM 0 HA LYS A 49 43.977 -32.636 -18.189 1.00 0.00 H new ATOM 0 HB2 LYS A 49 44.369 -34.826 -17.256 1.00 0.00 H new ATOM 0 HB3 LYS A 49 45.192 -35.359 -18.709 1.00 0.00 H new ATOM 0 HG2 LYS A 49 46.808 -34.782 -16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.024 -33.757 -18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.825 -31.909 -17.234 1.00 0.00 H new ATOM 0 HD3 LYS A 49 45.384 -32.931 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.466 -32.763 -14.898 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.313 -32.841 -16.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.349 -30.650 -15.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.944 -30.586 -16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.728 -30.462 -15.659 1.00 0.00 H new ATOM 762 N ARG A 50 45.728 -33.543 -20.857 1.00 0.00 N ATOM 763 CA ARG A 50 46.721 -32.965 -21.782 1.00 0.00 C ATOM 764 C ARG A 50 46.120 -32.359 -23.058 1.00 0.00 C ATOM 765 O ARG A 50 46.484 -31.258 -23.472 1.00 0.00 O ATOM 766 CB ARG A 50 47.834 -33.969 -22.128 1.00 0.00 C ATOM 767 CG ARG A 50 49.076 -33.279 -22.719 1.00 0.00 C ATOM 768 CD ARG A 50 49.056 -33.302 -24.250 1.00 0.00 C ATOM 769 NE ARG A 50 50.192 -32.529 -24.774 1.00 0.00 N ATOM 770 CZ ARG A 50 50.107 -31.970 -25.977 1.00 0.00 C ATOM 771 NH1 ARG A 50 49.318 -32.477 -26.907 1.00 0.00 N ATOM 772 NH2 ARG A 50 50.839 -30.912 -26.255 1.00 0.00 N ATOM 0 H ARG A 50 45.533 -34.536 -20.982 1.00 0.00 H new ATOM 0 HA ARG A 50 47.158 -32.132 -21.232 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.118 -34.518 -21.230 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.453 -34.700 -22.841 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.121 -32.247 -22.370 1.00 0.00 H new ATOM 0 HG3 ARG A 50 49.976 -33.777 -22.358 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.108 -34.330 -24.608 1.00 0.00 H new ATOM 0 HD3 ARG A 50 48.119 -32.883 -24.617 1.00 0.00 H new ATOM 0 HE ARG A 50 51.040 -32.422 -24.218 1.00 0.00 H new ATOM 0 HH11 ARG A 50 48.763 -33.309 -26.707 1.00 0.00 H new ATOM 0 HH12 ARG A 50 49.264 -32.036 -27.825 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.466 -30.526 -25.549 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.779 -30.478 -27.176 1.00 0.00 H new ATOM 786 N GLU A 51 45.222 -33.084 -23.716 1.00 0.00 N ATOM 787 CA GLU A 51 44.658 -32.559 -24.971 1.00 0.00 C ATOM 788 C GLU A 51 43.622 -31.439 -24.745 1.00 0.00 C ATOM 789 O GLU A 51 43.527 -30.471 -25.505 1.00 0.00 O ATOM 790 CB GLU A 51 44.132 -33.677 -25.878 1.00 0.00 C ATOM 791 CG GLU A 51 45.211 -34.720 -26.222 1.00 0.00 C ATOM 792 CD GLU A 51 46.418 -34.110 -26.927 1.00 0.00 C ATOM 793 OE1 GLU A 51 46.232 -33.281 -27.845 1.00 0.00 O ATOM 794 OE2 GLU A 51 47.562 -34.459 -26.564 1.00 0.00 O ATOM 0 H GLU A 51 44.876 -33.998 -23.425 1.00 0.00 H new ATOM 0 HA GLU A 51 45.485 -32.088 -25.503 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.295 -34.174 -25.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.747 -33.241 -26.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.540 -35.211 -25.306 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.775 -35.491 -26.858 1.00 0.00 H new ATOM 801 N THR A 52 42.829 -31.543 -23.689 1.00 0.00 N ATOM 802 CA THR A 52 42.026 -30.380 -23.309 1.00 0.00 C ATOM 803 C THR A 52 42.911 -29.214 -22.823 1.00 0.00 C ATOM 804 O THR A 52 42.587 -28.042 -23.003 1.00 0.00 O ATOM 805 CB THR A 52 40.885 -30.690 -22.335 1.00 0.00 C ATOM 806 OG1 THR A 52 41.046 -31.991 -21.796 1.00 0.00 O ATOM 807 CG2 THR A 52 39.523 -30.633 -23.045 1.00 0.00 C ATOM 0 H THR A 52 42.722 -32.372 -23.104 1.00 0.00 H new ATOM 0 HA THR A 52 41.526 -30.061 -24.224 1.00 0.00 H new ATOM 0 HB THR A 52 40.916 -29.941 -21.543 1.00 0.00 H new ATOM 0 HG1 THR A 52 41.569 -31.940 -20.969 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.731 -30.857 -22.331 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.369 -29.636 -23.457 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.502 -31.366 -23.852 1.00 0.00 H new ATOM 815 N GLU A 53 44.050 -29.527 -22.211 1.00 0.00 N ATOM 816 CA GLU A 53 45.079 -28.483 -22.034 1.00 0.00 C ATOM 817 C GLU A 53 45.425 -27.814 -23.382 1.00 0.00 C ATOM 818 O GLU A 53 45.708 -26.618 -23.457 1.00 0.00 O ATOM 819 CB GLU A 53 46.364 -29.003 -21.373 1.00 0.00 C ATOM 820 CG GLU A 53 46.460 -28.579 -19.900 1.00 0.00 C ATOM 821 CD GLU A 53 47.780 -29.017 -19.285 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.846 -28.602 -19.791 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.760 -29.773 -18.289 1.00 0.00 O ATOM 0 H GLU A 53 44.287 -30.448 -21.841 1.00 0.00 H new ATOM 0 HA GLU A 53 44.642 -27.748 -21.359 1.00 0.00 H new ATOM 0 HB2 GLU A 53 46.393 -30.091 -21.441 1.00 0.00 H new ATOM 0 HB3 GLU A 53 47.230 -28.626 -21.917 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.362 -27.496 -19.824 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.633 -29.014 -19.339 1.00 0.00 H new ATOM 830 N ALA A 54 45.432 -28.619 -24.447 1.00 0.00 N ATOM 831 CA ALA A 54 45.484 -28.051 -25.806 1.00 0.00 C ATOM 832 C ALA A 54 44.401 -27.005 -26.030 1.00 0.00 C ATOM 833 O ALA A 54 44.672 -25.925 -26.548 1.00 0.00 O ATOM 834 CB ALA A 54 45.339 -29.085 -26.925 1.00 0.00 C ATOM 0 H ALA A 54 45.403 -29.638 -24.405 1.00 0.00 H new ATOM 0 HA ALA A 54 46.479 -27.609 -25.858 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.388 -28.584 -27.892 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.146 -29.815 -26.853 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.380 -29.594 -26.828 1.00 0.00 H new ATOM 840 N ILE A 55 43.154 -27.331 -25.671 1.00 0.00 N ATOM 841 CA ILE A 55 42.107 -26.277 -25.682 1.00 0.00 C ATOM 842 C ILE A 55 42.652 -24.975 -25.058 1.00 0.00 C ATOM 843 O ILE A 55 42.744 -23.917 -25.690 1.00 0.00 O ATOM 844 CB ILE A 55 40.814 -26.563 -24.863 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.986 -27.765 -25.233 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.880 -25.354 -24.881 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.923 -28.007 -24.166 1.00 0.00 C ATOM 0 H ILE A 55 42.845 -28.259 -25.383 1.00 0.00 H new ATOM 0 HA ILE A 55 41.850 -26.221 -26.740 1.00 0.00 H new ATOM 0 HB ILE A 55 41.229 -26.785 -23.880 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.513 -27.608 -26.202 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.625 -28.643 -25.329 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.984 -25.578 -24.302 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.389 -24.495 -24.444 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.600 -25.126 -25.909 1.00 0.00 H new ATOM 0 HD11 ILE A 55 38.326 -28.878 -24.438 1.00 0.00 H new ATOM 0 HD12 ILE A 55 39.406 -28.184 -23.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 38.276 -27.133 -24.092 1.00 0.00 H new ATOM 859 N MET A 56 43.030 -25.109 -23.790 1.00 0.00 N ATOM 860 CA MET A 56 43.437 -23.947 -22.996 1.00 0.00 C ATOM 861 C MET A 56 44.609 -23.152 -23.590 1.00 0.00 C ATOM 862 O MET A 56 44.647 -21.923 -23.533 1.00 0.00 O ATOM 863 CB MET A 56 43.758 -24.385 -21.555 1.00 0.00 C ATOM 864 CG MET A 56 42.512 -24.835 -20.768 1.00 0.00 C ATOM 865 SD MET A 56 41.511 -25.998 -21.729 1.00 0.00 S ATOM 866 CE MET A 56 41.095 -27.262 -20.499 1.00 0.00 C ATOM 0 H MET A 56 43.064 -25.998 -23.292 1.00 0.00 H new ATOM 0 HA MET A 56 42.589 -23.262 -23.005 1.00 0.00 H new ATOM 0 HB2 MET A 56 44.478 -25.203 -21.582 1.00 0.00 H new ATOM 0 HB3 MET A 56 44.234 -23.558 -21.028 1.00 0.00 H new ATOM 0 HG2 MET A 56 42.819 -25.303 -19.833 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.911 -23.964 -20.506 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.173 -27.764 -20.791 1.00 0.00 H new ATOM 0 HE2 MET A 56 41.903 -27.992 -20.440 1.00 0.00 H new ATOM 0 HE3 MET A 56 40.959 -26.791 -19.525 1.00 0.00 H new ATOM 876 N LYS A 57 45.567 -23.861 -24.171 1.00 0.00 N ATOM 877 CA LYS A 57 46.729 -23.172 -24.752 1.00 0.00 C ATOM 878 C LYS A 57 46.519 -22.708 -26.203 1.00 0.00 C ATOM 879 O LYS A 57 47.004 -21.650 -26.608 1.00 0.00 O ATOM 880 CB LYS A 57 48.006 -24.017 -24.652 1.00 0.00 C ATOM 881 CG LYS A 57 48.585 -23.986 -23.233 1.00 0.00 C ATOM 882 CD LYS A 57 49.741 -24.982 -23.092 1.00 0.00 C ATOM 883 CE LYS A 57 49.240 -26.362 -22.658 1.00 0.00 C ATOM 884 NZ LYS A 57 48.965 -26.364 -21.208 1.00 0.00 N ATOM 0 H LYS A 57 45.574 -24.877 -24.256 1.00 0.00 H new ATOM 0 HA LYS A 57 46.847 -22.273 -24.147 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.786 -25.046 -24.935 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.748 -23.644 -25.358 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.936 -22.980 -23.001 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.804 -24.225 -22.512 1.00 0.00 H new ATOM 0 HD2 LYS A 57 50.268 -25.067 -24.042 1.00 0.00 H new ATOM 0 HD3 LYS A 57 50.459 -24.608 -22.362 1.00 0.00 H new ATOM 0 HE2 LYS A 57 48.335 -26.620 -23.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 49.985 -27.121 -22.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 48.958 -27.343 -20.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 49.704 -25.825 -20.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 48.039 -25.926 -21.030 1.00 0.00 H new ATOM 898 N GLU A 58 45.818 -23.508 -27.000 1.00 0.00 N ATOM 899 CA GLU A 58 45.614 -23.131 -28.413 1.00 0.00 C ATOM 900 C GLU A 58 44.665 -21.936 -28.623 1.00 0.00 C ATOM 901 O GLU A 58 44.822 -21.161 -29.566 1.00 0.00 O ATOM 902 CB GLU A 58 45.217 -24.332 -29.290 1.00 0.00 C ATOM 903 CG GLU A 58 43.719 -24.661 -29.202 1.00 0.00 C ATOM 904 CD GLU A 58 43.405 -25.988 -29.874 1.00 0.00 C ATOM 905 OE1 GLU A 58 43.430 -26.053 -31.122 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.122 -26.973 -29.158 1.00 0.00 O ATOM 0 H GLU A 58 45.392 -24.390 -26.716 1.00 0.00 H new ATOM 0 HA GLU A 58 46.593 -22.786 -28.747 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.478 -24.121 -30.327 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.795 -25.205 -28.987 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.414 -24.699 -28.156 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.141 -23.866 -29.674 1.00 0.00 H new ATOM 913 N ALA A 59 43.677 -21.786 -27.741 1.00 0.00 N ATOM 914 CA ALA A 59 42.740 -20.666 -27.877 1.00 0.00 C ATOM 915 C ALA A 59 43.437 -19.301 -28.006 1.00 0.00 C ATOM 916 O ALA A 59 43.247 -18.577 -28.984 1.00 0.00 O ATOM 917 CB ALA A 59 41.705 -20.714 -26.749 1.00 0.00 C ATOM 0 H ALA A 59 43.505 -22.403 -26.947 1.00 0.00 H new ATOM 0 HA ALA A 59 42.212 -20.783 -28.823 1.00 0.00 H new ATOM 0 HB1 ALA A 59 41.012 -19.880 -26.855 1.00 0.00 H new ATOM 0 HB2 ALA A 59 41.154 -21.653 -26.801 1.00 0.00 H new ATOM 0 HB3 ALA A 59 42.212 -20.644 -25.787 1.00 0.00 H new ATOM 923 N ARG A 60 44.250 -18.947 -27.018 1.00 0.00 N ATOM 924 CA ARG A 60 45.129 -17.790 -27.207 1.00 0.00 C ATOM 925 C ARG A 60 46.580 -18.216 -27.135 1.00 0.00 C ATOM 926 O ARG A 60 47.142 -18.447 -26.063 1.00 0.00 O ATOM 927 CB ARG A 60 44.850 -16.658 -26.233 1.00 0.00 C ATOM 928 CG ARG A 60 45.928 -15.556 -26.240 1.00 0.00 C ATOM 929 CD ARG A 60 46.718 -15.538 -24.924 1.00 0.00 C ATOM 930 NE ARG A 60 48.133 -15.244 -25.185 1.00 0.00 N ATOM 931 CZ ARG A 60 48.933 -14.887 -24.184 1.00 0.00 C ATOM 932 NH1 ARG A 60 48.437 -14.464 -23.034 1.00 0.00 N ATOM 933 NH2 ARG A 60 50.238 -14.936 -24.347 1.00 0.00 N ATOM 0 H ARG A 60 44.323 -19.417 -26.115 1.00 0.00 H new ATOM 0 HA ARG A 60 44.917 -17.394 -28.200 1.00 0.00 H new ATOM 0 HB2 ARG A 60 43.885 -16.212 -26.475 1.00 0.00 H new ATOM 0 HB3 ARG A 60 44.769 -17.068 -25.226 1.00 0.00 H new ATOM 0 HG2 ARG A 60 46.611 -15.718 -27.074 1.00 0.00 H new ATOM 0 HG3 ARG A 60 45.457 -14.585 -26.397 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.301 -14.788 -24.252 1.00 0.00 H new ATOM 0 HD3 ARG A 60 46.626 -16.502 -24.423 1.00 0.00 H new ATOM 0 HE ARG A 60 48.502 -15.314 -26.133 1.00 0.00 H new ATOM 0 HH11 ARG A 60 47.427 -14.408 -22.904 1.00 0.00 H new ATOM 0 HH12 ARG A 60 49.064 -14.194 -22.276 1.00 0.00 H new ATOM 0 HH21 ARG A 60 50.630 -15.246 -25.236 1.00 0.00 H new ATOM 0 HH22 ARG A 60 50.858 -14.664 -23.584 1.00 0.00 H new ATOM 1031 N LYS A 67 44.980 -12.548 -29.952 1.00 0.00 N ATOM 1032 CA LYS A 67 44.632 -13.971 -30.009 1.00 0.00 C ATOM 1033 C LYS A 67 43.540 -14.310 -29.008 1.00 0.00 C ATOM 1034 O LYS A 67 43.734 -14.295 -27.795 1.00 0.00 O ATOM 1035 CB LYS A 67 45.859 -14.887 -29.881 1.00 0.00 C ATOM 1036 CG LYS A 67 46.520 -15.168 -31.240 1.00 0.00 C ATOM 1037 CD LYS A 67 47.332 -13.967 -31.744 1.00 0.00 C ATOM 1038 CE LYS A 67 46.694 -13.353 -32.992 1.00 0.00 C ATOM 1039 NZ LYS A 67 47.508 -12.218 -33.463 1.00 0.00 N ATOM 0 HA LYS A 67 44.228 -14.164 -31.003 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.587 -14.425 -29.214 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.560 -15.830 -29.423 1.00 0.00 H new ATOM 0 HG2 LYS A 67 47.173 -16.036 -31.153 1.00 0.00 H new ATOM 0 HG3 LYS A 67 45.752 -15.419 -31.972 1.00 0.00 H new ATOM 0 HD2 LYS A 67 47.399 -13.214 -30.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 48.350 -14.282 -31.971 1.00 0.00 H new ATOM 0 HE2 LYS A 67 46.613 -14.105 -33.777 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.682 -13.017 -32.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 47.070 -11.805 -34.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 47.564 -11.497 -32.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 48.466 -12.550 -33.695 1.00 0.00 H new ATOM 1053 N ASN A 68 42.354 -14.554 -29.536 1.00 0.00 N ATOM 1054 CA ASN A 68 41.223 -14.859 -28.665 1.00 0.00 C ATOM 1055 C ASN A 68 40.295 -15.787 -29.430 1.00 0.00 C ATOM 1056 O ASN A 68 40.363 -15.880 -30.658 1.00 0.00 O ATOM 1057 CB ASN A 68 40.416 -13.632 -28.234 1.00 0.00 C ATOM 1058 CG ASN A 68 41.288 -12.396 -27.950 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.855 -12.246 -26.872 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.415 -11.496 -28.910 1.00 0.00 N ATOM 0 H ASN A 68 42.147 -14.549 -30.535 1.00 0.00 H new ATOM 0 HA ASN A 68 41.627 -15.303 -27.755 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.696 -13.388 -29.015 1.00 0.00 H new ATOM 0 HB3 ASN A 68 39.845 -13.878 -27.339 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.989 -10.666 -28.759 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.939 -11.631 -29.802 1.00 0.00 H new ATOM 1067 N ILE A 69 39.394 -16.460 -28.739 1.00 0.00 N ATOM 1068 CA ILE A 69 38.482 -17.330 -29.493 1.00 0.00 C ATOM 1069 C ILE A 69 37.150 -16.670 -29.816 1.00 0.00 C ATOM 1070 O ILE A 69 36.355 -16.295 -28.955 1.00 0.00 O ATOM 1071 CB ILE A 69 38.359 -18.777 -29.027 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.627 -18.961 -27.692 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.745 -19.408 -28.970 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.441 -18.552 -26.462 1.00 0.00 C ATOM 0 H ILE A 69 39.268 -16.435 -27.727 1.00 0.00 H new ATOM 0 HA ILE A 69 39.006 -17.451 -30.441 1.00 0.00 H new ATOM 0 HB ILE A 69 37.733 -19.283 -29.762 1.00 0.00 H new ATOM 0 HG12 ILE A 69 36.706 -18.378 -27.713 1.00 0.00 H new ATOM 0 HG13 ILE A 69 37.339 -20.007 -27.591 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.660 -20.442 -28.637 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.198 -19.382 -29.961 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.369 -18.852 -28.271 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.848 -18.715 -25.562 1.00 0.00 H new ATOM 0 HD12 ILE A 69 39.350 -19.152 -26.411 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.706 -17.497 -26.536 1.00 0.00 H new ATOM 1086 N GLY A 70 36.915 -16.580 -31.110 1.00 0.00 N ATOM 1087 CA GLY A 70 35.754 -15.829 -31.599 1.00 0.00 C ATOM 1088 C GLY A 70 34.595 -16.737 -32.000 1.00 0.00 C ATOM 1089 O GLY A 70 34.529 -17.897 -31.593 1.00 0.00 O ATOM 0 H GLY A 70 37.493 -17.004 -31.836 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.419 -15.139 -30.824 1.00 0.00 H new ATOM 0 HA3 GLY A 70 36.051 -15.225 -32.456 1.00 0.00 H new ATOM 1093 N PRO A 71 33.640 -16.172 -32.759 1.00 0.00 N ATOM 1094 CA PRO A 71 32.370 -16.867 -33.041 1.00 0.00 C ATOM 1095 C PRO A 71 32.442 -18.399 -33.059 1.00 0.00 C ATOM 1096 O PRO A 71 31.776 -19.073 -32.275 1.00 0.00 O ATOM 1097 CB PRO A 71 31.906 -16.312 -34.395 1.00 0.00 C ATOM 1098 CG PRO A 71 32.891 -15.218 -34.814 1.00 0.00 C ATOM 1099 CD PRO A 71 34.019 -15.201 -33.787 1.00 0.00 C ATOM 0 HA PRO A 71 31.669 -16.675 -32.228 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.875 -17.105 -35.142 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.897 -15.908 -34.317 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.283 -15.416 -35.811 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.394 -14.249 -34.854 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.970 -15.470 -34.247 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.142 -14.206 -33.358 1.00 0.00 H new ATOM 1107 N GLU A 72 33.251 -18.957 -33.946 1.00 0.00 N ATOM 1108 CA GLU A 72 33.190 -20.414 -34.141 1.00 0.00 C ATOM 1109 C GLU A 72 34.341 -21.261 -33.554 1.00 0.00 C ATOM 1110 O GLU A 72 34.162 -22.458 -33.326 1.00 0.00 O ATOM 1111 CB GLU A 72 32.877 -20.765 -35.595 1.00 0.00 C ATOM 1112 CG GLU A 72 31.365 -20.804 -35.852 1.00 0.00 C ATOM 1113 CD GLU A 72 31.067 -20.981 -37.331 1.00 0.00 C ATOM 1114 OE1 GLU A 72 30.986 -19.965 -38.054 1.00 0.00 O ATOM 1115 OE2 GLU A 72 30.907 -22.137 -37.779 1.00 0.00 O ATOM 0 H GLU A 72 33.930 -18.460 -34.522 1.00 0.00 H new ATOM 0 HA GLU A 72 32.355 -20.719 -33.511 1.00 0.00 H new ATOM 0 HB2 GLU A 72 33.340 -20.032 -36.255 1.00 0.00 H new ATOM 0 HB3 GLU A 72 33.313 -21.734 -35.838 1.00 0.00 H new ATOM 0 HG2 GLU A 72 30.918 -21.622 -35.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 30.908 -19.882 -35.493 1.00 0.00 H new ATOM 1122 N GLU A 73 35.534 -20.696 -33.337 1.00 0.00 N ATOM 1123 CA GLU A 73 36.600 -21.495 -32.705 1.00 0.00 C ATOM 1124 C GLU A 73 36.207 -22.038 -31.318 1.00 0.00 C ATOM 1125 O GLU A 73 36.572 -23.145 -30.923 1.00 0.00 O ATOM 1126 CB GLU A 73 37.942 -20.736 -32.667 1.00 0.00 C ATOM 1127 CG GLU A 73 39.028 -21.464 -31.850 1.00 0.00 C ATOM 1128 CD GLU A 73 40.406 -21.222 -32.443 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.994 -20.150 -32.183 1.00 0.00 O ATOM 1130 OE2 GLU A 73 40.908 -22.101 -33.175 1.00 0.00 O ATOM 0 H GLU A 73 35.783 -19.736 -33.575 1.00 0.00 H new ATOM 0 HA GLU A 73 36.738 -22.369 -33.342 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.299 -20.591 -33.687 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.780 -19.745 -32.242 1.00 0.00 H new ATOM 0 HG2 GLU A 73 39.006 -21.116 -30.817 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.819 -22.534 -31.831 1.00 0.00 H new ATOM 1137 N TRP A 74 35.401 -21.278 -30.601 1.00 0.00 N ATOM 1138 CA TRP A 74 34.989 -21.710 -29.269 1.00 0.00 C ATOM 1139 C TRP A 74 33.986 -22.888 -29.284 1.00 0.00 C ATOM 1140 O TRP A 74 34.174 -23.890 -28.584 1.00 0.00 O ATOM 1141 CB TRP A 74 34.595 -20.433 -28.509 1.00 0.00 C ATOM 1142 CG TRP A 74 34.149 -20.585 -27.067 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.961 -19.928 -26.756 1.00 0.00 C ATOM 1144 CD2 TRP A 74 35.048 -20.227 -26.088 1.00 0.00 C ATOM 1145 NE1 TRP A 74 33.133 -19.048 -25.687 1.00 0.00 N ATOM 1146 CE2 TRP A 74 34.427 -19.298 -25.246 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.937 -21.125 -25.567 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 34.695 -19.327 -23.915 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 36.237 -21.069 -24.242 1.00 0.00 C ATOM 1150 CH2 TRP A 74 35.609 -20.194 -23.429 1.00 0.00 C ATOM 0 H TRP A 74 35.024 -20.380 -30.904 1.00 0.00 H new ATOM 0 HA TRP A 74 35.798 -22.185 -28.713 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.448 -19.754 -28.527 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.790 -19.948 -29.061 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.027 -20.080 -27.276 1.00 0.00 H new ATOM 0 HE1 TRP A 74 32.463 -18.375 -25.315 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.396 -21.870 -26.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 34.177 -18.657 -23.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.986 -21.732 -23.836 1.00 0.00 H new ATOM 0 HH2 TRP A 74 35.841 -20.187 -22.374 1.00 0.00 H new ATOM 1161 N LEU A 75 32.969 -22.836 -30.154 1.00 0.00 N ATOM 1162 CA LEU A 75 32.107 -24.022 -30.303 1.00 0.00 C ATOM 1163 C LEU A 75 32.759 -25.160 -31.096 1.00 0.00 C ATOM 1164 O LEU A 75 32.420 -26.325 -30.900 1.00 0.00 O ATOM 1165 CB LEU A 75 30.707 -23.743 -30.871 1.00 0.00 C ATOM 1166 CG LEU A 75 29.627 -24.481 -30.060 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.253 -24.047 -30.454 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.582 -25.975 -30.341 1.00 0.00 C ATOM 0 H LEU A 75 32.728 -22.035 -30.737 1.00 0.00 H new ATOM 0 HA LEU A 75 31.977 -24.343 -29.269 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.511 -22.671 -30.854 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.664 -24.059 -31.913 1.00 0.00 H new ATOM 0 HG LEU A 75 29.889 -24.256 -29.026 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.516 -24.589 -29.861 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.145 -22.977 -30.278 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.094 -24.258 -31.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.800 -26.435 -29.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.370 -26.140 -31.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.544 -26.422 -30.090 1.00 0.00 H new ATOM 1180 N THR A 76 33.685 -24.872 -32.010 1.00 0.00 N ATOM 1181 CA THR A 76 34.360 -25.996 -32.667 1.00 0.00 C ATOM 1182 C THR A 76 35.218 -26.783 -31.683 1.00 0.00 C ATOM 1183 O THR A 76 35.210 -28.012 -31.684 1.00 0.00 O ATOM 1184 CB THR A 76 35.124 -25.659 -33.946 1.00 0.00 C ATOM 1185 OG1 THR A 76 34.302 -24.875 -34.801 1.00 0.00 O ATOM 1186 CG2 THR A 76 36.424 -24.909 -33.676 1.00 0.00 C ATOM 0 H THR A 76 33.973 -23.938 -32.300 1.00 0.00 H new ATOM 0 HA THR A 76 33.545 -26.632 -33.013 1.00 0.00 H new ATOM 0 HB THR A 76 35.384 -26.605 -34.421 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.166 -23.990 -34.403 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.924 -24.696 -34.621 1.00 0.00 H new ATOM 0 HG22 THR A 76 36.204 -23.973 -33.163 1.00 0.00 H new ATOM 0 HG23 THR A 76 37.074 -25.521 -33.051 1.00 0.00 H new ATOM 1194 N LEU A 77 35.946 -26.083 -30.816 1.00 0.00 N ATOM 1195 CA LEU A 77 36.643 -26.796 -29.739 1.00 0.00 C ATOM 1196 C LEU A 77 35.686 -27.593 -28.881 1.00 0.00 C ATOM 1197 O LEU A 77 35.914 -28.767 -28.624 1.00 0.00 O ATOM 1198 CB LEU A 77 37.464 -25.922 -28.788 1.00 0.00 C ATOM 1199 CG LEU A 77 38.906 -25.766 -29.265 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.134 -24.319 -29.573 1.00 0.00 C ATOM 1201 CD2 LEU A 77 39.899 -26.115 -28.181 1.00 0.00 C ATOM 0 H LEU A 77 36.069 -25.071 -30.829 1.00 0.00 H new ATOM 0 HA LEU A 77 37.333 -27.436 -30.289 1.00 0.00 H new ATOM 0 HB2 LEU A 77 37.000 -24.939 -28.705 1.00 0.00 H new ATOM 0 HB3 LEU A 77 37.456 -26.363 -27.791 1.00 0.00 H new ATOM 0 HG LEU A 77 39.046 -26.425 -30.122 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.159 -24.177 -29.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 38.442 -23.999 -30.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 38.968 -23.725 -28.674 1.00 0.00 H new ATOM 0 HD21 LEU A 77 40.913 -25.991 -28.562 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.750 -25.457 -27.325 1.00 0.00 H new ATOM 0 HD23 LEU A 77 39.752 -27.150 -27.872 1.00 0.00 H new ATOM 1213 N CYS A 78 34.597 -26.984 -28.433 1.00 0.00 N ATOM 1214 CA CYS A 78 33.711 -27.738 -27.541 1.00 0.00 C ATOM 1215 C CYS A 78 33.020 -28.876 -28.322 1.00 0.00 C ATOM 1216 O CYS A 78 32.868 -29.978 -27.796 1.00 0.00 O ATOM 1217 CB CYS A 78 32.703 -26.680 -27.096 1.00 0.00 C ATOM 1218 SG CYS A 78 33.307 -25.924 -25.552 1.00 0.00 S ATOM 0 H CYS A 78 34.312 -26.029 -28.651 1.00 0.00 H new ATOM 0 HA CYS A 78 34.222 -28.215 -26.705 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.584 -25.921 -27.869 1.00 0.00 H new ATOM 0 HB3 CYS A 78 31.723 -27.132 -26.939 1.00 0.00 H new ATOM 0 HG CYS A 78 32.662 -24.817 -25.330 1.00 0.00 H new ATOM 1224 N SER A 79 32.639 -28.658 -29.584 1.00 0.00 N ATOM 1225 CA SER A 79 32.061 -29.773 -30.350 1.00 0.00 C ATOM 1226 C SER A 79 33.072 -30.894 -30.649 1.00 0.00 C ATOM 1227 O SER A 79 32.771 -32.077 -30.487 1.00 0.00 O ATOM 1228 CB SER A 79 31.345 -29.310 -31.623 1.00 0.00 C ATOM 1229 OG SER A 79 32.201 -28.479 -32.394 1.00 0.00 O ATOM 0 H SER A 79 32.713 -27.770 -30.080 1.00 0.00 H new ATOM 0 HA SER A 79 31.304 -30.204 -29.695 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.039 -30.175 -32.212 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.438 -28.766 -31.361 1.00 0.00 H new ATOM 0 HG SER A 79 32.055 -27.542 -32.148 1.00 0.00 H new ATOM 1235 N LYS A 80 34.283 -30.533 -31.071 1.00 0.00 N ATOM 1236 CA LYS A 80 35.300 -31.563 -31.318 1.00 0.00 C ATOM 1237 C LYS A 80 35.830 -32.212 -30.027 1.00 0.00 C ATOM 1238 O LYS A 80 36.009 -33.427 -29.944 1.00 0.00 O ATOM 1239 CB LYS A 80 36.433 -31.053 -32.224 1.00 0.00 C ATOM 1240 CG LYS A 80 37.425 -30.145 -31.476 1.00 0.00 C ATOM 1241 CD LYS A 80 38.032 -29.068 -32.383 1.00 0.00 C ATOM 1242 CE LYS A 80 38.504 -29.649 -33.712 1.00 0.00 C ATOM 1243 NZ LYS A 80 39.532 -28.777 -34.308 1.00 0.00 N ATOM 0 H LYS A 80 34.581 -29.573 -31.245 1.00 0.00 H new ATOM 0 HA LYS A 80 34.794 -32.360 -31.863 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.970 -31.904 -32.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 36.004 -30.504 -33.062 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.915 -29.666 -30.640 1.00 0.00 H new ATOM 0 HG3 LYS A 80 38.225 -30.755 -31.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 37.292 -28.289 -32.569 1.00 0.00 H new ATOM 0 HD3 LYS A 80 38.872 -28.595 -31.874 1.00 0.00 H new ATOM 0 HE2 LYS A 80 38.909 -30.649 -33.557 1.00 0.00 H new ATOM 0 HE3 LYS A 80 37.660 -29.749 -34.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 39.848 -29.181 -35.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 39.132 -27.831 -34.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 40.343 -28.703 -33.661 1.00 0.00 H new ATOM 1257 N TRP A 81 36.066 -31.393 -29.007 1.00 0.00 N ATOM 1258 CA TRP A 81 36.508 -31.926 -27.714 1.00 0.00 C ATOM 1259 C TRP A 81 35.483 -32.854 -27.049 1.00 0.00 C ATOM 1260 O TRP A 81 35.835 -33.795 -26.338 1.00 0.00 O ATOM 1261 CB TRP A 81 36.897 -30.789 -26.746 1.00 0.00 C ATOM 1262 CG TRP A 81 38.344 -30.350 -26.941 1.00 0.00 C ATOM 1263 CD1 TRP A 81 38.831 -29.814 -28.141 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.350 -31.089 -26.392 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.152 -30.261 -28.371 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.436 -31.064 -27.258 1.00 0.00 C ATOM 1267 CE3 TRP A 81 39.104 -32.198 -25.633 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.224 -32.171 -27.356 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.990 -33.211 -25.630 1.00 0.00 C ATOM 1270 CH2 TRP A 81 41.017 -33.218 -26.509 1.00 0.00 C ATOM 0 H TRP A 81 35.963 -30.379 -29.043 1.00 0.00 H new ATOM 0 HA TRP A 81 37.387 -32.533 -27.933 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.235 -29.937 -26.901 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.753 -31.122 -25.718 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.278 -29.156 -28.794 1.00 0.00 H new ATOM 0 HE1 TRP A 81 40.758 -30.048 -29.163 1.00 0.00 H new ATOM 0 HE3 TRP A 81 38.204 -32.261 -25.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.006 -32.218 -28.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.880 -34.020 -24.923 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.684 -34.067 -26.540 1.00 0.00 H new ATOM 1281 N VAL A 82 34.205 -32.588 -27.282 1.00 0.00 N ATOM 1282 CA VAL A 82 33.167 -33.415 -26.643 1.00 0.00 C ATOM 1283 C VAL A 82 32.729 -34.639 -27.474 1.00 0.00 C ATOM 1284 O VAL A 82 32.320 -35.661 -26.923 1.00 0.00 O ATOM 1285 CB VAL A 82 31.967 -32.567 -26.172 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.002 -32.264 -27.326 1.00 0.00 C ATOM 1287 CG2 VAL A 82 31.210 -33.282 -25.050 1.00 0.00 C ATOM 0 H VAL A 82 33.861 -31.839 -27.883 1.00 0.00 H new ATOM 0 HA VAL A 82 33.641 -33.837 -25.757 1.00 0.00 H new ATOM 0 HB VAL A 82 32.365 -31.624 -25.799 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.170 -31.665 -26.956 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.528 -31.712 -28.105 1.00 0.00 H new ATOM 0 HG13 VAL A 82 30.622 -33.199 -27.737 1.00 0.00 H new ATOM 0 HG21 VAL A 82 30.367 -32.668 -24.731 1.00 0.00 H new ATOM 0 HG22 VAL A 82 30.843 -34.242 -25.413 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.880 -33.445 -24.206 1.00 0.00 H new