USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot -105:sc= -0.411 USER MOD Set 1.2: A 70 SER OG : rot 111:sc= 1.24 USER MOD Single : A 15 MET CE :methyl -142:sc= -1.95 (180deg=-6.49!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 15:sc= -0.889 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 148:sc= -3.48! (180deg=-5.73!) USER MOD Single : A 36 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.3 K(o=-1.3,f=-7.3!) USER MOD Single : A 42 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.3) USER MOD Single : A 44 SER OG : rot -65:sc= -2.76! USER MOD Single : A 46 CYS SG : rot -100:sc= -0.677 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.22) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -3.3! USER MOD Single : A 63 MET CE :methyl 175:sc= -0.38 (180deg=-0.403) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 72 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.671 (180deg=0.531) USER MOD Single : A 80 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.332 -8.987 8.254 1.00 0.00 N ATOM 186 CA MET A 15 8.145 -7.809 8.506 1.00 0.00 C ATOM 187 C MET A 15 7.339 -6.528 8.280 1.00 0.00 C ATOM 188 O MET A 15 6.259 -6.565 7.693 1.00 0.00 O ATOM 189 CB MET A 15 9.360 -7.819 7.576 1.00 0.00 C ATOM 190 CG MET A 15 8.946 -8.130 6.136 1.00 0.00 C ATOM 191 SD MET A 15 9.896 -7.134 4.999 1.00 0.00 S ATOM 192 CE MET A 15 8.985 -5.602 5.093 1.00 0.00 C ATOM 0 HA MET A 15 8.472 -7.831 9.546 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.859 -6.851 7.614 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.080 -8.562 7.920 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.103 -9.188 5.924 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.882 -7.933 6.004 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.940 -5.144 4.105 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.974 -5.801 5.447 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.485 -4.923 5.784 1.00 0.00 H new ATOM 202 N THR A 16 7.896 -5.425 8.757 1.00 0.00 N ATOM 203 CA THR A 16 7.243 -4.135 8.615 1.00 0.00 C ATOM 204 C THR A 16 8.130 -3.172 7.823 1.00 0.00 C ATOM 205 O THR A 16 9.281 -2.938 8.190 1.00 0.00 O ATOM 206 CB THR A 16 6.891 -3.626 10.014 1.00 0.00 C ATOM 207 OG1 THR A 16 6.067 -4.652 10.560 1.00 0.00 O ATOM 208 CG2 THR A 16 5.981 -2.396 9.979 1.00 0.00 C ATOM 0 H THR A 16 8.793 -5.398 9.242 1.00 0.00 H new ATOM 0 HA THR A 16 6.319 -4.221 8.043 1.00 0.00 H new ATOM 0 HB THR A 16 7.807 -3.384 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.794 -4.404 11.468 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.762 -2.076 10.998 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.481 -1.588 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.050 -2.646 9.470 1.00 0.00 H new ATOM 216 N GLU A 17 7.562 -2.640 6.751 1.00 0.00 N ATOM 217 CA GLU A 17 8.287 -1.708 5.905 1.00 0.00 C ATOM 218 C GLU A 17 7.580 -0.351 5.882 1.00 0.00 C ATOM 219 O GLU A 17 6.398 -0.257 6.208 1.00 0.00 O ATOM 220 CB GLU A 17 8.449 -2.265 4.489 1.00 0.00 C ATOM 221 CG GLU A 17 9.928 -2.376 4.110 1.00 0.00 C ATOM 222 CD GLU A 17 10.093 -3.011 2.728 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.564 -2.417 1.764 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.744 -4.076 2.667 1.00 0.00 O ATOM 0 H GLU A 17 6.608 -2.837 6.449 1.00 0.00 H new ATOM 0 HA GLU A 17 9.284 -1.569 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.978 -3.246 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.935 -1.617 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.384 -1.386 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.454 -2.974 4.854 1.00 0.00 H new ATOM 231 N GLU A 18 8.334 0.667 5.493 1.00 0.00 N ATOM 232 CA GLU A 18 7.794 2.014 5.424 1.00 0.00 C ATOM 233 C GLU A 18 7.916 2.562 4.000 1.00 0.00 C ATOM 234 O GLU A 18 9.001 2.951 3.572 1.00 0.00 O ATOM 235 CB GLU A 18 8.491 2.936 6.427 1.00 0.00 C ATOM 236 CG GLU A 18 7.946 4.363 6.330 1.00 0.00 C ATOM 237 CD GLU A 18 8.115 5.106 7.657 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.205 4.971 8.503 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.151 5.792 7.795 1.00 0.00 O ATOM 0 H GLU A 18 9.314 0.586 5.222 1.00 0.00 H new ATOM 0 HA GLU A 18 6.737 1.975 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.346 2.555 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.565 2.939 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.467 4.902 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.891 4.335 6.056 1.00 0.00 H new ATOM 246 N TYR A 19 6.787 2.574 3.307 1.00 0.00 N ATOM 247 CA TYR A 19 6.753 3.067 1.940 1.00 0.00 C ATOM 248 C TYR A 19 5.959 4.372 1.848 1.00 0.00 C ATOM 249 O TYR A 19 4.834 4.454 2.337 1.00 0.00 O ATOM 250 CB TYR A 19 6.040 1.990 1.121 1.00 0.00 C ATOM 251 CG TYR A 19 6.189 2.159 -0.393 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.417 1.964 -0.991 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.095 2.507 -1.159 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.557 2.123 -2.415 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.236 2.666 -2.583 1.00 0.00 C ATOM 256 CZ TYR A 19 6.460 2.466 -3.141 1.00 0.00 C ATOM 257 OH TYR A 19 6.592 2.616 -4.486 1.00 0.00 O ATOM 0 H TYR A 19 5.889 2.250 3.666 1.00 0.00 H new ATOM 0 HA TYR A 19 7.762 3.267 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.429 1.013 1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.980 1.997 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.273 1.692 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.134 2.660 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.512 1.973 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.388 2.938 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 19 7.439 2.219 -4.778 1.00 0.00 H new ATOM 267 N LYS A 20 6.577 5.360 1.217 1.00 0.00 N ATOM 268 CA LYS A 20 5.942 6.656 1.054 1.00 0.00 C ATOM 269 C LYS A 20 5.363 6.762 -0.358 1.00 0.00 C ATOM 270 O LYS A 20 5.933 6.227 -1.308 1.00 0.00 O ATOM 271 CB LYS A 20 6.920 7.780 1.403 1.00 0.00 C ATOM 272 CG LYS A 20 6.943 8.038 2.911 1.00 0.00 C ATOM 273 CD LYS A 20 6.965 9.538 3.210 1.00 0.00 C ATOM 274 CE LYS A 20 7.915 9.852 4.368 1.00 0.00 C ATOM 275 NZ LYS A 20 7.598 11.174 4.954 1.00 0.00 N ATOM 0 H LYS A 20 7.511 5.289 0.813 1.00 0.00 H new ATOM 0 HA LYS A 20 5.109 6.762 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.920 7.516 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.634 8.692 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.067 7.584 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.819 7.563 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.277 10.085 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.959 9.878 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.834 9.080 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.946 9.842 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.252 11.372 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.698 11.910 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.621 11.171 5.310 1.00 0.00 H new ATOM 289 N VAL A 21 4.238 7.456 -0.452 1.00 0.00 N ATOM 290 CA VAL A 21 3.576 7.638 -1.732 1.00 0.00 C ATOM 291 C VAL A 21 3.131 9.096 -1.868 1.00 0.00 C ATOM 292 O VAL A 21 3.017 9.809 -0.873 1.00 0.00 O ATOM 293 CB VAL A 21 2.420 6.645 -1.870 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.936 5.251 -2.232 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.578 6.604 -0.594 1.00 0.00 C ATOM 0 H VAL A 21 3.768 7.899 0.338 1.00 0.00 H new ATOM 0 HA VAL A 21 4.265 7.430 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 21 1.779 6.987 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.095 4.564 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.473 5.296 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.609 4.898 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.763 5.891 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.203 6.298 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.167 7.594 -0.398 1.00 0.00 H new ATOM 305 N PRO A 22 2.886 9.506 -3.142 1.00 0.00 N ATOM 306 CA PRO A 22 2.456 10.866 -3.421 1.00 0.00 C ATOM 307 C PRO A 22 0.989 11.067 -3.037 1.00 0.00 C ATOM 308 O PRO A 22 0.105 10.407 -3.582 1.00 0.00 O ATOM 309 CB PRO A 22 2.714 11.063 -4.906 1.00 0.00 C ATOM 310 CG PRO A 22 2.841 9.668 -5.495 1.00 0.00 C ATOM 311 CD PRO A 22 3.011 8.689 -4.345 1.00 0.00 C ATOM 0 HA PRO A 22 2.998 11.607 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.897 11.612 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.623 11.641 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.956 9.419 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.695 9.615 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.251 7.908 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.980 8.192 -4.388 1.00 0.00 H new ATOM 319 N ASP A 23 0.775 11.980 -2.101 1.00 0.00 N ATOM 320 CA ASP A 23 -0.570 12.276 -1.638 1.00 0.00 C ATOM 321 C ASP A 23 -1.463 12.584 -2.841 1.00 0.00 C ATOM 322 O ASP A 23 -2.684 12.462 -2.760 1.00 0.00 O ATOM 323 CB ASP A 23 -0.579 13.498 -0.717 1.00 0.00 C ATOM 324 CG ASP A 23 -1.556 13.416 0.457 1.00 0.00 C ATOM 325 OD1 ASP A 23 -1.153 12.844 1.493 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.685 13.926 0.292 1.00 0.00 O ATOM 0 H ASP A 23 1.511 12.525 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.936 11.408 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.427 13.645 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.821 14.380 -1.311 1.00 0.00 H new ATOM 331 N GLY A 24 -0.819 12.978 -3.930 1.00 0.00 N ATOM 332 CA GLY A 24 -1.539 13.304 -5.149 1.00 0.00 C ATOM 333 C GLY A 24 -1.901 12.038 -5.928 1.00 0.00 C ATOM 334 O GLY A 24 -2.410 12.117 -7.045 1.00 0.00 O ATOM 0 H GLY A 24 0.194 13.079 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.446 13.856 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.928 13.957 -5.773 1.00 0.00 H new ATOM 338 N MET A 25 -1.624 10.901 -5.308 1.00 0.00 N ATOM 339 CA MET A 25 -1.914 9.620 -5.929 1.00 0.00 C ATOM 340 C MET A 25 -2.606 8.676 -4.943 1.00 0.00 C ATOM 341 O MET A 25 -3.563 7.992 -5.300 1.00 0.00 O ATOM 342 CB MET A 25 -0.612 8.983 -6.418 1.00 0.00 C ATOM 343 CG MET A 25 0.016 9.811 -7.540 1.00 0.00 C ATOM 344 SD MET A 25 -1.121 9.946 -8.909 1.00 0.00 S ATOM 345 CE MET A 25 -0.971 8.306 -9.599 1.00 0.00 C ATOM 0 H MET A 25 -1.202 10.840 -4.382 1.00 0.00 H new ATOM 0 HA MET A 25 -2.585 9.790 -6.771 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.089 8.898 -5.588 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.809 7.972 -6.774 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.273 10.804 -7.170 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.944 9.345 -7.872 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.923 8.008 -10.039 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.199 8.304 -10.369 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.700 7.603 -8.811 1.00 0.00 H new ATOM 355 N VAL A 26 -2.093 8.670 -3.721 1.00 0.00 N ATOM 356 CA VAL A 26 -2.650 7.821 -2.681 1.00 0.00 C ATOM 357 C VAL A 26 -4.177 7.890 -2.735 1.00 0.00 C ATOM 358 O VAL A 26 -4.847 6.860 -2.791 1.00 0.00 O ATOM 359 CB VAL A 26 -2.081 8.223 -1.318 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.645 9.571 -0.865 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.345 7.138 -0.272 1.00 0.00 C ATOM 0 H VAL A 26 -1.299 9.239 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.366 6.781 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.001 8.330 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.225 9.833 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.383 10.338 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.730 9.503 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.931 7.449 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.419 6.984 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.873 6.207 -0.586 1.00 0.00 H new ATOM 371 N GLY A 27 -4.683 9.115 -2.716 1.00 0.00 N ATOM 372 CA GLY A 27 -6.119 9.331 -2.762 1.00 0.00 C ATOM 373 C GLY A 27 -6.770 8.464 -3.842 1.00 0.00 C ATOM 374 O GLY A 27 -7.922 8.055 -3.703 1.00 0.00 O ATOM 0 H GLY A 27 -4.124 9.967 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.557 9.098 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.326 10.382 -2.961 1.00 0.00 H new ATOM 378 N PHE A 28 -6.005 8.210 -4.893 1.00 0.00 N ATOM 379 CA PHE A 28 -6.493 7.399 -5.995 1.00 0.00 C ATOM 380 C PHE A 28 -6.089 5.933 -5.818 1.00 0.00 C ATOM 381 O PHE A 28 -6.707 5.042 -6.398 1.00 0.00 O ATOM 382 CB PHE A 28 -5.846 7.942 -7.271 1.00 0.00 C ATOM 383 CG PHE A 28 -5.707 6.907 -8.388 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.761 6.111 -8.713 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.529 6.782 -9.057 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.632 5.149 -9.750 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.400 5.821 -10.094 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.454 5.025 -10.419 1.00 0.00 C ATOM 0 H PHE A 28 -5.050 8.552 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.581 7.446 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.439 8.780 -7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.858 8.333 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.696 6.210 -8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.692 7.414 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.469 4.516 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.465 5.722 -10.625 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.356 4.294 -11.208 1.00 0.00 H new ATOM 398 N ILE A 29 -5.056 5.730 -5.014 1.00 0.00 N ATOM 399 CA ILE A 29 -4.563 4.388 -4.753 1.00 0.00 C ATOM 400 C ILE A 29 -5.627 3.599 -3.988 1.00 0.00 C ATOM 401 O ILE A 29 -5.755 2.389 -4.166 1.00 0.00 O ATOM 402 CB ILE A 29 -3.209 4.444 -4.044 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.157 5.124 -4.922 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.767 3.049 -3.596 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.748 4.882 -4.377 1.00 0.00 C ATOM 0 H ILE A 29 -4.547 6.472 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.385 3.858 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.319 5.051 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.227 4.743 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.354 6.195 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.801 3.117 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.505 2.637 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.679 2.398 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.019 5.376 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.674 5.286 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.545 3.811 -4.355 1.00 0.00 H new ATOM 417 N ILE A 30 -6.364 4.316 -3.152 1.00 0.00 N ATOM 418 CA ILE A 30 -7.412 3.698 -2.359 1.00 0.00 C ATOM 419 C ILE A 30 -8.500 3.160 -3.290 1.00 0.00 C ATOM 420 O ILE A 30 -8.754 1.957 -3.325 1.00 0.00 O ATOM 421 CB ILE A 30 -7.934 4.676 -1.305 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.781 5.431 -0.640 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.816 3.959 -0.280 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.913 6.939 -0.862 1.00 0.00 C ATOM 0 H ILE A 30 -6.256 5.320 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.017 2.847 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.559 5.416 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.770 5.217 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.831 5.082 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.174 4.677 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.667 3.505 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.236 3.184 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.081 7.452 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.900 7.152 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.852 7.289 -0.434 1.00 0.00 H new ATOM 436 N GLY A 31 -9.115 4.078 -4.023 1.00 0.00 N ATOM 437 CA GLY A 31 -10.169 3.710 -4.952 1.00 0.00 C ATOM 438 C GLY A 31 -11.530 4.208 -4.461 1.00 0.00 C ATOM 439 O GLY A 31 -11.648 4.699 -3.339 1.00 0.00 O ATOM 0 H GLY A 31 -8.903 5.075 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.956 4.131 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.194 2.627 -5.068 1.00 0.00 H new ATOM 481 N GLU A 35 -11.249 -0.240 -3.235 1.00 0.00 N ATOM 482 CA GLU A 35 -11.175 -1.473 -4.001 1.00 0.00 C ATOM 483 C GLU A 35 -9.927 -1.475 -4.886 1.00 0.00 C ATOM 484 O GLU A 35 -9.503 -2.525 -5.365 1.00 0.00 O ATOM 485 CB GLU A 35 -12.440 -1.675 -4.837 1.00 0.00 C ATOM 486 CG GLU A 35 -12.287 -2.868 -5.783 1.00 0.00 C ATOM 487 CD GLU A 35 -13.594 -3.656 -5.887 1.00 0.00 C ATOM 488 OE1 GLU A 35 -13.815 -4.509 -5.000 1.00 0.00 O ATOM 489 OE2 GLU A 35 -14.344 -3.388 -6.851 1.00 0.00 O ATOM 0 HA GLU A 35 -11.102 -2.307 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.294 -1.836 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.647 -0.773 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.990 -2.517 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.492 -3.521 -5.424 1.00 0.00 H new ATOM 496 N GLN A 36 -9.373 -0.286 -5.075 1.00 0.00 N ATOM 497 CA GLN A 36 -8.182 -0.138 -5.894 1.00 0.00 C ATOM 498 C GLN A 36 -6.963 -0.706 -5.165 1.00 0.00 C ATOM 499 O GLN A 36 -6.109 -1.343 -5.779 1.00 0.00 O ATOM 500 CB GLN A 36 -7.959 1.327 -6.277 1.00 0.00 C ATOM 501 CG GLN A 36 -6.626 1.506 -7.007 1.00 0.00 C ATOM 502 CD GLN A 36 -6.835 2.158 -8.376 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.932 2.539 -8.750 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.724 2.266 -9.099 1.00 0.00 N ATOM 0 H GLN A 36 -9.727 0.583 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.325 -0.702 -6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.775 1.668 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.973 1.947 -5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.957 2.121 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.142 0.537 -7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.838 1.926 -8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.758 2.689 -10.027 1.00 0.00 H new ATOM 513 N ILE A 37 -6.920 -0.454 -3.865 1.00 0.00 N ATOM 514 CA ILE A 37 -5.820 -0.933 -3.045 1.00 0.00 C ATOM 515 C ILE A 37 -6.017 -2.422 -2.753 1.00 0.00 C ATOM 516 O ILE A 37 -5.057 -3.190 -2.754 1.00 0.00 O ATOM 517 CB ILE A 37 -5.675 -0.073 -1.788 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.394 -0.425 -1.028 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.917 -0.185 -0.901 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.169 0.201 -1.698 1.00 0.00 C ATOM 0 H ILE A 37 -7.630 0.076 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.875 -0.836 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.591 0.970 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.469 -0.074 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.277 -1.508 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.788 0.436 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.792 0.152 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.057 -1.223 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.272 -0.065 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.083 -0.171 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.278 1.285 -1.715 1.00 0.00 H new ATOM 532 N SER A 38 -7.268 -2.784 -2.510 1.00 0.00 N ATOM 533 CA SER A 38 -7.603 -4.167 -2.217 1.00 0.00 C ATOM 534 C SER A 38 -6.930 -5.095 -3.231 1.00 0.00 C ATOM 535 O SER A 38 -6.222 -6.026 -2.850 1.00 0.00 O ATOM 536 CB SER A 38 -9.118 -4.380 -2.228 1.00 0.00 C ATOM 537 OG SER A 38 -9.493 -5.581 -1.557 1.00 0.00 O ATOM 0 H SER A 38 -8.062 -2.144 -2.510 1.00 0.00 H new ATOM 0 HA SER A 38 -7.236 -4.404 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.607 -3.530 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.472 -4.415 -3.258 1.00 0.00 H new ATOM 0 HG SER A 38 -10.468 -5.680 -1.584 1.00 0.00 H new ATOM 543 N ARG A 39 -7.174 -4.808 -4.501 1.00 0.00 N ATOM 544 CA ARG A 39 -6.600 -5.605 -5.571 1.00 0.00 C ATOM 545 C ARG A 39 -5.083 -5.710 -5.401 1.00 0.00 C ATOM 546 O ARG A 39 -4.490 -6.742 -5.709 1.00 0.00 O ATOM 547 CB ARG A 39 -6.912 -4.996 -6.940 1.00 0.00 C ATOM 548 CG ARG A 39 -7.385 -6.069 -7.923 1.00 0.00 C ATOM 549 CD ARG A 39 -8.588 -5.578 -8.732 1.00 0.00 C ATOM 550 NE ARG A 39 -9.842 -6.080 -8.130 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.034 -6.050 -8.742 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.140 -5.542 -9.977 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.120 -6.528 -8.118 1.00 0.00 N ATOM 0 H ARG A 39 -7.761 -4.035 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.044 -6.599 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.680 -4.230 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.023 -4.503 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.571 -6.333 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.653 -6.974 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.598 -4.488 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.507 -5.921 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.797 -6.474 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.314 -5.178 -10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.047 -5.519 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.039 -6.914 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.027 -6.505 -8.584 1.00 0.00 H new ATOM 567 N ILE A 40 -4.499 -4.626 -4.911 1.00 0.00 N ATOM 568 CA ILE A 40 -3.063 -4.583 -4.695 1.00 0.00 C ATOM 569 C ILE A 40 -2.709 -5.434 -3.475 1.00 0.00 C ATOM 570 O ILE A 40 -1.684 -6.114 -3.464 1.00 0.00 O ATOM 571 CB ILE A 40 -2.579 -3.134 -4.596 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.127 -2.293 -5.751 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.053 -3.070 -4.513 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.827 -0.808 -5.538 1.00 0.00 C ATOM 0 H ILE A 40 -4.994 -3.771 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.537 -5.013 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.969 -2.706 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.685 -2.626 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.203 -2.442 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.736 -2.030 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.714 -3.613 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.621 -3.522 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.227 -0.233 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.291 -0.472 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.749 -0.659 -5.479 1.00 0.00 H new ATOM 586 N GLN A 41 -3.576 -5.369 -2.475 1.00 0.00 N ATOM 587 CA GLN A 41 -3.368 -6.126 -1.253 1.00 0.00 C ATOM 588 C GLN A 41 -3.556 -7.621 -1.515 1.00 0.00 C ATOM 589 O GLN A 41 -2.886 -8.452 -0.903 1.00 0.00 O ATOM 590 CB GLN A 41 -4.302 -5.642 -0.142 1.00 0.00 C ATOM 591 CG GLN A 41 -3.924 -4.233 0.318 1.00 0.00 C ATOM 592 CD GLN A 41 -5.125 -3.518 0.940 1.00 0.00 C ATOM 593 OE1 GLN A 41 -5.968 -2.958 0.258 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.156 -3.567 2.268 1.00 0.00 N ATOM 0 H GLN A 41 -4.425 -4.803 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.344 -5.962 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.332 -5.647 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.254 -6.329 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.113 -4.289 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.553 -3.657 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.418 -4.053 2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.918 -3.119 2.777 1.00 0.00 H new ATOM 603 N GLN A 42 -4.471 -7.919 -2.426 1.00 0.00 N ATOM 604 CA GLN A 42 -4.757 -9.300 -2.777 1.00 0.00 C ATOM 605 C GLN A 42 -3.770 -9.793 -3.837 1.00 0.00 C ATOM 606 O GLN A 42 -3.350 -10.949 -3.810 1.00 0.00 O ATOM 607 CB GLN A 42 -6.201 -9.457 -3.257 1.00 0.00 C ATOM 608 CG GLN A 42 -7.189 -9.178 -2.123 1.00 0.00 C ATOM 609 CD GLN A 42 -7.606 -10.476 -1.428 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.001 -11.446 -2.054 1.00 0.00 O ATOM 611 NE2 GLN A 42 -7.496 -10.440 -0.103 1.00 0.00 N ATOM 0 H GLN A 42 -5.024 -7.227 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.638 -9.913 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.389 -8.773 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.354 -10.467 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.735 -8.503 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.070 -8.674 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.158 -9.595 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.749 -11.257 0.452 1.00 0.00 H new ATOM 620 N GLU A 43 -3.428 -8.891 -4.746 1.00 0.00 N ATOM 621 CA GLU A 43 -2.498 -9.220 -5.813 1.00 0.00 C ATOM 622 C GLU A 43 -1.186 -9.748 -5.230 1.00 0.00 C ATOM 623 O GLU A 43 -0.762 -10.857 -5.550 1.00 0.00 O ATOM 624 CB GLU A 43 -2.250 -8.010 -6.716 1.00 0.00 C ATOM 625 CG GLU A 43 -3.216 -8.003 -7.902 1.00 0.00 C ATOM 626 CD GLU A 43 -2.645 -8.797 -9.079 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.465 -8.550 -9.411 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.401 -9.633 -9.620 1.00 0.00 O ATOM 0 H GLU A 43 -3.778 -7.933 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.941 -10.005 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.369 -7.092 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.223 -8.028 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.172 -8.431 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.410 -6.976 -8.211 1.00 0.00 H new ATOM 635 N SER A 44 -0.579 -8.928 -4.384 1.00 0.00 N ATOM 636 CA SER A 44 0.676 -9.299 -3.753 1.00 0.00 C ATOM 637 C SER A 44 0.405 -10.083 -2.468 1.00 0.00 C ATOM 638 O SER A 44 1.282 -10.787 -1.969 1.00 0.00 O ATOM 639 CB SER A 44 1.527 -8.063 -3.452 1.00 0.00 C ATOM 640 OG SER A 44 0.900 -7.201 -2.506 1.00 0.00 O ATOM 0 H SER A 44 -0.933 -8.008 -4.121 1.00 0.00 H new ATOM 0 HA SER A 44 1.233 -9.931 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.498 -8.376 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.710 -7.515 -4.376 1.00 0.00 H new ATOM 0 HG SER A 44 0.078 -6.833 -2.893 1.00 0.00 H new ATOM 646 N GLY A 45 -0.813 -9.935 -1.969 1.00 0.00 N ATOM 647 CA GLY A 45 -1.211 -10.621 -0.751 1.00 0.00 C ATOM 648 C GLY A 45 -0.544 -9.993 0.475 1.00 0.00 C ATOM 649 O GLY A 45 -0.421 -10.636 1.516 1.00 0.00 O ATOM 0 H GLY A 45 -1.538 -9.350 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.295 -10.577 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.940 -11.675 -0.817 1.00 0.00 H new ATOM 653 N CYS A 46 -0.131 -8.745 0.310 1.00 0.00 N ATOM 654 CA CYS A 46 0.521 -8.024 1.390 1.00 0.00 C ATOM 655 C CYS A 46 -0.489 -7.046 1.993 1.00 0.00 C ATOM 656 O CYS A 46 -1.467 -6.679 1.343 1.00 0.00 O ATOM 657 CB CYS A 46 1.788 -7.313 0.911 1.00 0.00 C ATOM 658 SG CYS A 46 3.134 -7.543 2.130 1.00 0.00 S ATOM 0 H CYS A 46 -0.235 -8.215 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 46 0.846 -8.728 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.092 -7.708 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.589 -6.250 0.773 1.00 0.00 H new ATOM 0 HG CYS A 46 3.238 -6.478 2.868 1.00 0.00 H new ATOM 664 N LYS A 47 -0.218 -6.651 3.228 1.00 0.00 N ATOM 665 CA LYS A 47 -1.091 -5.723 3.926 1.00 0.00 C ATOM 666 C LYS A 47 -0.611 -4.292 3.675 1.00 0.00 C ATOM 667 O LYS A 47 0.590 -4.031 3.653 1.00 0.00 O ATOM 668 CB LYS A 47 -1.186 -6.088 5.408 1.00 0.00 C ATOM 669 CG LYS A 47 -2.449 -5.496 6.039 1.00 0.00 C ATOM 670 CD LYS A 47 -2.604 -5.956 7.490 1.00 0.00 C ATOM 671 CE LYS A 47 -3.249 -7.341 7.561 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.723 -7.231 7.474 1.00 0.00 N ATOM 0 H LYS A 47 0.594 -6.957 3.764 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.108 -5.792 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.193 -7.172 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.305 -5.720 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.403 -4.408 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.324 -5.798 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.627 -5.981 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.214 -5.239 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.876 -7.964 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.969 -7.832 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.145 -8.180 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.075 -6.653 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.985 -6.782 6.573 1.00 0.00 H new ATOM 686 N ILE A 48 -1.576 -3.402 3.491 1.00 0.00 N ATOM 687 CA ILE A 48 -1.267 -2.004 3.242 1.00 0.00 C ATOM 688 C ILE A 48 -2.113 -1.127 4.168 1.00 0.00 C ATOM 689 O ILE A 48 -3.324 -1.012 3.985 1.00 0.00 O ATOM 690 CB ILE A 48 -1.437 -1.674 1.758 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.458 -2.479 0.902 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.309 -0.169 1.513 1.00 0.00 C ATOM 693 CD1 ILE A 48 -1.067 -2.811 -0.462 1.00 0.00 C ATOM 0 H ILE A 48 -2.572 -3.622 3.509 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.222 -1.797 3.473 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.443 -1.965 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.462 -1.911 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.190 -3.401 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.434 0.039 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.077 0.358 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.324 0.170 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.350 -3.384 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.974 -3.399 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.311 -1.887 -0.986 1.00 0.00 H new ATOM 705 N GLN A 49 -1.441 -0.530 5.142 1.00 0.00 N ATOM 706 CA GLN A 49 -2.115 0.333 6.096 1.00 0.00 C ATOM 707 C GLN A 49 -1.743 1.796 5.844 1.00 0.00 C ATOM 708 O GLN A 49 -0.656 2.236 6.215 1.00 0.00 O ATOM 709 CB GLN A 49 -1.786 -0.077 7.533 1.00 0.00 C ATOM 710 CG GLN A 49 -2.649 -1.260 7.977 1.00 0.00 C ATOM 711 CD GLN A 49 -3.069 -1.113 9.441 1.00 0.00 C ATOM 712 OE1 GLN A 49 -3.582 -0.091 9.867 1.00 0.00 O ATOM 713 NE2 GLN A 49 -2.824 -2.188 10.185 1.00 0.00 N ATOM 0 H GLN A 49 -0.437 -0.627 5.290 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.191 0.224 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.732 -0.344 7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.949 0.768 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.535 -1.326 7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.094 -2.189 7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.392 -3.011 9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.068 -2.189 11.175 1.00 0.00 H new ATOM 722 N ILE A 50 -2.667 2.508 5.216 1.00 0.00 N ATOM 723 CA ILE A 50 -2.450 3.912 4.910 1.00 0.00 C ATOM 724 C ILE A 50 -3.147 4.773 5.966 1.00 0.00 C ATOM 725 O ILE A 50 -4.282 4.495 6.348 1.00 0.00 O ATOM 726 CB ILE A 50 -2.888 4.222 3.477 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.422 3.129 2.513 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.409 5.609 3.046 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.786 3.480 1.069 1.00 0.00 C ATOM 0 H ILE A 50 -3.568 2.139 4.911 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.388 4.152 4.953 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.978 4.234 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.343 2.999 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.880 2.178 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.733 5.805 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.831 6.363 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.321 5.650 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.444 2.687 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.867 3.585 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.307 4.419 0.791 1.00 0.00 H new ATOM 741 N ALA A 51 -2.437 5.801 6.407 1.00 0.00 N ATOM 742 CA ALA A 51 -2.972 6.704 7.411 1.00 0.00 C ATOM 743 C ALA A 51 -4.165 7.462 6.825 1.00 0.00 C ATOM 744 O ALA A 51 -4.271 7.615 5.609 1.00 0.00 O ATOM 745 CB ALA A 51 -1.866 7.643 7.896 1.00 0.00 C ATOM 0 H ALA A 51 -1.496 6.028 6.087 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.328 6.146 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.268 8.320 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.056 7.057 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.485 8.221 7.054 1.00 0.00 H new ATOM 821 N PRO A 58 4.217 15.748 2.071 1.00 0.00 N ATOM 822 CA PRO A 58 4.319 15.642 0.626 1.00 0.00 C ATOM 823 C PRO A 58 4.038 14.211 0.160 1.00 0.00 C ATOM 824 O PRO A 58 3.546 14.001 -0.947 1.00 0.00 O ATOM 825 CB PRO A 58 5.727 16.109 0.296 1.00 0.00 C ATOM 826 CG PRO A 58 6.512 16.017 1.594 1.00 0.00 C ATOM 827 CD PRO A 58 5.516 15.845 2.729 1.00 0.00 C ATOM 0 HA PRO A 58 3.580 16.251 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.175 15.484 -0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.720 17.130 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.204 15.176 1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.110 16.916 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.732 14.950 3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.549 16.690 3.417 1.00 0.00 H new ATOM 835 N GLU A 59 4.364 13.266 1.029 1.00 0.00 N ATOM 836 CA GLU A 59 4.154 11.862 0.720 1.00 0.00 C ATOM 837 C GLU A 59 3.434 11.166 1.877 1.00 0.00 C ATOM 838 O GLU A 59 3.744 11.410 3.042 1.00 0.00 O ATOM 839 CB GLU A 59 5.478 11.166 0.401 1.00 0.00 C ATOM 840 CG GLU A 59 6.066 11.683 -0.914 1.00 0.00 C ATOM 841 CD GLU A 59 7.391 12.410 -0.674 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.235 11.830 0.043 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.529 13.529 -1.213 1.00 0.00 O ATOM 0 H GLU A 59 4.772 13.445 1.947 1.00 0.00 H new ATOM 0 HA GLU A 59 3.524 11.796 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.187 11.335 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.320 10.089 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.223 10.850 -1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.357 12.359 -1.392 1.00 0.00 H new ATOM 850 N ARG A 60 2.486 10.313 1.516 1.00 0.00 N ATOM 851 CA ARG A 60 1.720 9.581 2.510 1.00 0.00 C ATOM 852 C ARG A 60 2.430 8.273 2.869 1.00 0.00 C ATOM 853 O ARG A 60 2.756 7.478 1.989 1.00 0.00 O ATOM 854 CB ARG A 60 0.313 9.266 1.998 1.00 0.00 C ATOM 855 CG ARG A 60 -0.415 8.313 2.948 1.00 0.00 C ATOM 856 CD ARG A 60 -1.217 9.090 3.995 1.00 0.00 C ATOM 857 NE ARG A 60 -0.312 9.951 4.788 1.00 0.00 N ATOM 858 CZ ARG A 60 0.373 9.533 5.861 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.261 8.264 6.275 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.171 10.385 6.520 1.00 0.00 N ATOM 0 H ARG A 60 2.231 10.113 0.549 1.00 0.00 H new ATOM 0 HA ARG A 60 1.639 10.210 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.256 10.190 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.375 8.819 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.083 7.666 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.308 7.666 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.976 9.700 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.741 8.396 4.652 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.203 10.923 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.346 7.616 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.783 7.946 7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.257 11.351 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.693 10.067 7.337 1.00 0.00 H new ATOM 874 N SER A 61 2.647 8.092 4.163 1.00 0.00 N ATOM 875 CA SER A 61 3.312 6.895 4.650 1.00 0.00 C ATOM 876 C SER A 61 2.326 5.725 4.680 1.00 0.00 C ATOM 877 O SER A 61 1.198 5.870 5.148 1.00 0.00 O ATOM 878 CB SER A 61 3.908 7.122 6.040 1.00 0.00 C ATOM 879 OG SER A 61 4.723 6.030 6.457 1.00 0.00 O ATOM 0 H SER A 61 2.374 8.754 4.889 1.00 0.00 H new ATOM 0 HA SER A 61 4.129 6.657 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.502 8.036 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.103 7.269 6.760 1.00 0.00 H new ATOM 0 HG SER A 61 5.086 6.214 7.348 1.00 0.00 H new ATOM 885 N CYS A 62 2.788 4.591 4.174 1.00 0.00 N ATOM 886 CA CYS A 62 1.962 3.396 4.136 1.00 0.00 C ATOM 887 C CYS A 62 2.761 2.240 4.741 1.00 0.00 C ATOM 888 O CYS A 62 3.775 1.823 4.183 1.00 0.00 O ATOM 889 CB CYS A 62 1.487 3.081 2.716 1.00 0.00 C ATOM 890 SG CYS A 62 0.664 4.545 1.992 1.00 0.00 S ATOM 0 H CYS A 62 3.724 4.474 3.787 1.00 0.00 H new ATOM 0 HA CYS A 62 1.058 3.557 4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.335 2.787 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.797 2.237 2.733 1.00 0.00 H new ATOM 0 HG CYS A 62 0.267 4.267 0.786 1.00 0.00 H new ATOM 896 N MET A 63 2.274 1.755 5.874 1.00 0.00 N ATOM 897 CA MET A 63 2.930 0.656 6.561 1.00 0.00 C ATOM 898 C MET A 63 2.476 -0.692 5.996 1.00 0.00 C ATOM 899 O MET A 63 1.295 -1.028 6.056 1.00 0.00 O ATOM 900 CB MET A 63 2.605 0.719 8.054 1.00 0.00 C ATOM 901 CG MET A 63 3.055 2.051 8.657 1.00 0.00 C ATOM 902 SD MET A 63 4.802 2.288 8.380 1.00 0.00 S ATOM 903 CE MET A 63 5.464 1.170 9.604 1.00 0.00 C ATOM 0 H MET A 63 1.433 2.103 6.333 1.00 0.00 H new ATOM 0 HA MET A 63 4.006 0.749 6.411 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.533 0.592 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.098 -0.104 8.572 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.493 2.871 8.209 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.843 2.066 9.726 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.549 1.127 9.508 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.201 1.525 10.601 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.046 0.175 9.451 1.00 0.00 H new ATOM 913 N LEU A 64 3.439 -1.427 5.460 1.00 0.00 N ATOM 914 CA LEU A 64 3.154 -2.731 4.884 1.00 0.00 C ATOM 915 C LEU A 64 3.415 -3.814 5.933 1.00 0.00 C ATOM 916 O LEU A 64 4.283 -3.657 6.790 1.00 0.00 O ATOM 917 CB LEU A 64 3.940 -2.928 3.587 1.00 0.00 C ATOM 918 CG LEU A 64 3.952 -1.740 2.623 1.00 0.00 C ATOM 919 CD1 LEU A 64 5.328 -1.072 2.593 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.490 -2.162 1.227 1.00 0.00 C ATOM 0 H LEU A 64 4.418 -1.145 5.412 1.00 0.00 H new ATOM 0 HA LEU A 64 2.103 -2.803 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.971 -3.173 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.528 -3.791 3.064 1.00 0.00 H new ATOM 0 HG LEU A 64 3.241 -0.998 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.309 -0.231 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.581 -0.714 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.076 -1.794 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.508 -1.299 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.157 -2.932 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.475 -2.556 1.283 1.00 0.00 H new ATOM 932 N THR A 65 2.648 -4.889 5.830 1.00 0.00 N ATOM 933 CA THR A 65 2.785 -5.999 6.758 1.00 0.00 C ATOM 934 C THR A 65 2.543 -7.328 6.041 1.00 0.00 C ATOM 935 O THR A 65 1.460 -7.561 5.507 1.00 0.00 O ATOM 936 CB THR A 65 1.830 -5.757 7.928 1.00 0.00 C ATOM 937 OG1 THR A 65 2.108 -4.419 8.333 1.00 0.00 O ATOM 938 CG2 THR A 65 2.183 -6.599 9.156 1.00 0.00 C ATOM 0 H THR A 65 1.929 -5.015 5.118 1.00 0.00 H new ATOM 0 HA THR A 65 3.799 -6.060 7.154 1.00 0.00 H new ATOM 0 HB THR A 65 0.810 -5.981 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.531 -4.179 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.474 -6.389 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.136 -7.657 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.191 -6.352 9.489 1.00 0.00 H new ATOM 946 N GLY A 66 3.570 -8.165 6.051 1.00 0.00 N ATOM 947 CA GLY A 66 3.483 -9.465 5.408 1.00 0.00 C ATOM 948 C GLY A 66 4.864 -9.951 4.964 1.00 0.00 C ATOM 949 O GLY A 66 5.883 -9.446 5.431 1.00 0.00 O ATOM 0 H GLY A 66 4.467 -7.968 6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.044 -10.187 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.820 -9.404 4.545 1.00 0.00 H new ATOM 953 N THR A 67 4.852 -10.926 4.066 1.00 0.00 N ATOM 954 CA THR A 67 6.091 -11.486 3.554 1.00 0.00 C ATOM 955 C THR A 67 6.920 -10.402 2.861 1.00 0.00 C ATOM 956 O THR A 67 6.401 -9.339 2.524 1.00 0.00 O ATOM 957 CB THR A 67 5.737 -12.658 2.637 1.00 0.00 C ATOM 958 OG1 THR A 67 4.604 -12.197 1.906 1.00 0.00 O ATOM 959 CG2 THR A 67 5.212 -13.869 3.412 1.00 0.00 C ATOM 0 H THR A 67 4.004 -11.342 3.680 1.00 0.00 H new ATOM 0 HA THR A 67 6.717 -11.864 4.362 1.00 0.00 H new ATOM 0 HB THR A 67 6.617 -12.948 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.795 -12.630 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.976 -14.673 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.973 -14.210 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.313 -13.588 3.960 1.00 0.00 H new ATOM 967 N PRO A 68 8.229 -10.717 2.666 1.00 0.00 N ATOM 968 CA PRO A 68 9.135 -9.782 2.020 1.00 0.00 C ATOM 969 C PRO A 68 8.885 -9.731 0.511 1.00 0.00 C ATOM 970 O PRO A 68 8.995 -8.672 -0.105 1.00 0.00 O ATOM 971 CB PRO A 68 10.528 -10.275 2.375 1.00 0.00 C ATOM 972 CG PRO A 68 10.359 -11.721 2.813 1.00 0.00 C ATOM 973 CD PRO A 68 8.878 -11.966 3.053 1.00 0.00 C ATOM 0 HA PRO A 68 8.992 -8.756 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.198 -10.202 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.964 -9.674 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.739 -12.398 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.930 -11.914 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.513 -12.803 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.681 -12.208 4.097 1.00 0.00 H new ATOM 981 N GLU A 69 8.554 -10.889 -0.042 1.00 0.00 N ATOM 982 CA GLU A 69 8.288 -10.990 -1.466 1.00 0.00 C ATOM 983 C GLU A 69 6.930 -10.369 -1.798 1.00 0.00 C ATOM 984 O GLU A 69 6.640 -10.084 -2.959 1.00 0.00 O ATOM 985 CB GLU A 69 8.356 -12.444 -1.935 1.00 0.00 C ATOM 986 CG GLU A 69 9.300 -12.592 -3.130 1.00 0.00 C ATOM 987 CD GLU A 69 8.687 -11.983 -4.392 1.00 0.00 C ATOM 988 OE1 GLU A 69 7.443 -11.868 -4.421 1.00 0.00 O ATOM 989 OE2 GLU A 69 9.477 -11.645 -5.301 1.00 0.00 O ATOM 0 H GLU A 69 8.464 -11.766 0.472 1.00 0.00 H new ATOM 0 HA GLU A 69 9.059 -10.435 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.697 -13.078 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.359 -12.788 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.249 -12.104 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.516 -13.647 -3.299 1.00 0.00 H new ATOM 996 N SER A 70 6.133 -10.178 -0.757 1.00 0.00 N ATOM 997 CA SER A 70 4.811 -9.596 -0.923 1.00 0.00 C ATOM 998 C SER A 70 4.893 -8.072 -0.817 1.00 0.00 C ATOM 999 O SER A 70 4.149 -7.359 -1.488 1.00 0.00 O ATOM 1000 CB SER A 70 3.832 -10.149 0.114 1.00 0.00 C ATOM 1001 OG SER A 70 3.377 -11.457 -0.225 1.00 0.00 O ATOM 0 H SER A 70 6.377 -10.416 0.204 1.00 0.00 H new ATOM 0 HA SER A 70 4.440 -9.865 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.315 -10.175 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.977 -9.478 0.199 1.00 0.00 H new ATOM 0 HG SER A 70 3.744 -12.106 0.411 1.00 0.00 H new ATOM 1007 N VAL A 71 5.804 -7.619 0.032 1.00 0.00 N ATOM 1008 CA VAL A 71 5.992 -6.192 0.235 1.00 0.00 C ATOM 1009 C VAL A 71 6.465 -5.553 -1.072 1.00 0.00 C ATOM 1010 O VAL A 71 5.972 -4.496 -1.464 1.00 0.00 O ATOM 1011 CB VAL A 71 6.956 -5.953 1.400 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.368 -4.481 1.476 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.344 -6.420 2.722 1.00 0.00 C ATOM 0 H VAL A 71 6.419 -8.214 0.587 1.00 0.00 H new ATOM 0 HA VAL A 71 5.049 -5.717 0.506 1.00 0.00 H new ATOM 0 HB VAL A 71 7.854 -6.544 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.053 -4.338 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.862 -4.193 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.483 -3.862 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.049 -6.239 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.423 -5.868 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.123 -7.486 2.664 1.00 0.00 H new ATOM 1023 N GLN A 72 7.414 -6.221 -1.711 1.00 0.00 N ATOM 1024 CA GLN A 72 7.958 -5.732 -2.967 1.00 0.00 C ATOM 1025 C GLN A 72 6.884 -5.758 -4.057 1.00 0.00 C ATOM 1026 O GLN A 72 6.599 -4.735 -4.677 1.00 0.00 O ATOM 1027 CB GLN A 72 9.185 -6.543 -3.386 1.00 0.00 C ATOM 1028 CG GLN A 72 10.428 -6.095 -2.615 1.00 0.00 C ATOM 1029 CD GLN A 72 11.139 -4.950 -3.340 1.00 0.00 C ATOM 1030 OE1 GLN A 72 10.752 -3.796 -3.261 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.198 -5.332 -4.048 1.00 0.00 N ATOM 0 H GLN A 72 7.820 -7.097 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 72 8.278 -4.700 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.004 -7.603 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.355 -6.426 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.143 -5.775 -1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.111 -6.936 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.468 -6.315 -4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.740 -4.642 -4.567 1.00 0.00 H new ATOM 1040 N SER A 73 6.319 -6.940 -4.257 1.00 0.00 N ATOM 1041 CA SER A 73 5.283 -7.113 -5.261 1.00 0.00 C ATOM 1042 C SER A 73 4.267 -5.973 -5.167 1.00 0.00 C ATOM 1043 O SER A 73 3.952 -5.333 -6.169 1.00 0.00 O ATOM 1044 CB SER A 73 4.582 -8.463 -5.102 1.00 0.00 C ATOM 1045 OG SER A 73 4.865 -9.343 -6.186 1.00 0.00 O ATOM 0 H SER A 73 6.559 -7.787 -3.741 1.00 0.00 H new ATOM 0 HA SER A 73 5.753 -7.092 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.897 -8.927 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.505 -8.307 -5.034 1.00 0.00 H new ATOM 0 HG SER A 73 4.400 -10.194 -6.046 1.00 0.00 H new ATOM 1051 N ALA A 74 3.782 -5.753 -3.953 1.00 0.00 N ATOM 1052 CA ALA A 74 2.808 -4.701 -3.715 1.00 0.00 C ATOM 1053 C ALA A 74 3.400 -3.358 -4.147 1.00 0.00 C ATOM 1054 O ALA A 74 2.815 -2.653 -4.968 1.00 0.00 O ATOM 1055 CB ALA A 74 2.396 -4.711 -2.242 1.00 0.00 C ATOM 0 H ALA A 74 4.046 -6.286 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 74 1.908 -4.869 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.665 -3.922 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.955 -5.677 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.273 -4.541 -1.618 1.00 0.00 H new ATOM 1061 N LYS A 75 4.552 -3.043 -3.573 1.00 0.00 N ATOM 1062 CA LYS A 75 5.229 -1.796 -3.888 1.00 0.00 C ATOM 1063 C LYS A 75 5.187 -1.566 -5.400 1.00 0.00 C ATOM 1064 O LYS A 75 4.850 -0.475 -5.857 1.00 0.00 O ATOM 1065 CB LYS A 75 6.643 -1.792 -3.304 1.00 0.00 C ATOM 1066 CG LYS A 75 6.635 -1.306 -1.853 1.00 0.00 C ATOM 1067 CD LYS A 75 7.793 -1.920 -1.063 1.00 0.00 C ATOM 1068 CE LYS A 75 9.141 -1.487 -1.642 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.917 -0.726 -0.638 1.00 0.00 N ATOM 0 H LYS A 75 5.034 -3.630 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 75 4.715 -0.955 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.063 -2.797 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.286 -1.148 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.710 -0.219 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.688 -1.571 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.727 -1.616 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.716 -3.007 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.706 -2.364 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.982 -0.873 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.912 -0.674 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.530 0.236 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.855 -1.204 0.284 1.00 0.00 H new ATOM 1083 N ARG A 76 5.535 -2.612 -6.135 1.00 0.00 N ATOM 1084 CA ARG A 76 5.542 -2.538 -7.586 1.00 0.00 C ATOM 1085 C ARG A 76 4.176 -2.078 -8.101 1.00 0.00 C ATOM 1086 O ARG A 76 4.097 -1.280 -9.034 1.00 0.00 O ATOM 1087 CB ARG A 76 5.881 -3.895 -8.206 1.00 0.00 C ATOM 1088 CG ARG A 76 7.288 -4.344 -7.806 1.00 0.00 C ATOM 1089 CD ARG A 76 8.228 -4.341 -9.014 1.00 0.00 C ATOM 1090 NE ARG A 76 9.105 -5.533 -8.975 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.892 -5.919 -9.988 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.918 -5.210 -11.125 1.00 0.00 N ATOM 1093 NH2 ARG A 76 10.655 -7.014 -9.864 1.00 0.00 N ATOM 0 H ARG A 76 5.814 -3.515 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 76 6.306 -1.817 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.152 -4.639 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.811 -3.831 -9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.680 -3.681 -7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.246 -5.345 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.648 -4.336 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.833 -3.434 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 76 9.110 -6.095 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.338 -4.376 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.517 -5.504 -11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.636 -7.553 -8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.254 -7.308 -10.635 1.00 0.00 H new ATOM 1107 N LEU A 77 3.135 -2.600 -7.470 1.00 0.00 N ATOM 1108 CA LEU A 77 1.777 -2.252 -7.852 1.00 0.00 C ATOM 1109 C LEU A 77 1.495 -0.802 -7.455 1.00 0.00 C ATOM 1110 O LEU A 77 1.073 0.001 -8.286 1.00 0.00 O ATOM 1111 CB LEU A 77 0.782 -3.255 -7.264 1.00 0.00 C ATOM 1112 CG LEU A 77 0.764 -4.641 -7.910 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.150 -5.678 -6.968 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.055 -4.606 -9.265 1.00 0.00 C ATOM 0 H LEU A 77 3.204 -3.261 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 77 1.658 -2.315 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.001 -3.374 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.219 -2.829 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 77 1.795 -4.945 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.150 -6.654 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.736 -5.728 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.874 -5.391 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.057 -5.604 -9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.973 -4.271 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.576 -3.918 -9.931 1.00 0.00 H new ATOM 1126 N LEU A 78 1.741 -0.510 -6.187 1.00 0.00 N ATOM 1127 CA LEU A 78 1.520 0.830 -5.670 1.00 0.00 C ATOM 1128 C LEU A 78 2.247 1.841 -6.558 1.00 0.00 C ATOM 1129 O LEU A 78 1.614 2.683 -7.194 1.00 0.00 O ATOM 1130 CB LEU A 78 1.918 0.908 -4.195 1.00 0.00 C ATOM 1131 CG LEU A 78 1.136 0.005 -3.240 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.734 0.047 -1.832 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.352 0.363 -3.241 1.00 0.00 C ATOM 0 H LEU A 78 2.092 -1.179 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 78 0.460 1.081 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.976 0.661 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.804 1.940 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 78 1.221 -1.022 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.159 -0.604 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.769 -0.294 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.701 1.068 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.885 -0.294 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.477 1.398 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.755 0.240 -4.246 1.00 0.00 H new ATOM 1145 N ASP A 79 3.567 1.725 -6.574 1.00 0.00 N ATOM 1146 CA ASP A 79 4.388 2.618 -7.374 1.00 0.00 C ATOM 1147 C ASP A 79 3.751 2.788 -8.755 1.00 0.00 C ATOM 1148 O ASP A 79 3.538 3.911 -9.210 1.00 0.00 O ATOM 1149 CB ASP A 79 5.794 2.048 -7.568 1.00 0.00 C ATOM 1150 CG ASP A 79 6.737 2.923 -8.397 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.314 4.048 -8.739 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.860 2.446 -8.669 1.00 0.00 O ATOM 0 H ASP A 79 4.088 1.026 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 79 4.456 3.573 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.242 1.884 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.712 1.073 -8.048 1.00 0.00 H new ATOM 1157 N GLN A 80 3.466 1.657 -9.383 1.00 0.00 N ATOM 1158 CA GLN A 80 2.858 1.667 -10.703 1.00 0.00 C ATOM 1159 C GLN A 80 1.819 2.786 -10.801 1.00 0.00 C ATOM 1160 O GLN A 80 1.925 3.663 -11.656 1.00 0.00 O ATOM 1161 CB GLN A 80 2.234 0.309 -11.030 1.00 0.00 C ATOM 1162 CG GLN A 80 2.727 -0.210 -12.382 1.00 0.00 C ATOM 1163 CD GLN A 80 2.073 0.555 -13.534 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.091 1.774 -13.594 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.496 -0.225 -14.443 1.00 0.00 N ATOM 0 H GLN A 80 3.645 0.728 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 80 3.639 1.858 -11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.484 -0.408 -10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.148 0.398 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.811 -0.108 -12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.502 -1.273 -12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.517 -1.239 -14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.032 0.190 -15.251 1.00 0.00 H new ATOM 1174 N ILE A 81 0.839 2.718 -9.912 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.219 3.714 -9.888 1.00 0.00 C ATOM 1176 C ILE A 81 0.393 5.106 -10.060 1.00 0.00 C ATOM 1177 O ILE A 81 0.070 5.817 -11.011 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.064 3.567 -8.621 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.024 2.382 -8.737 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.798 4.870 -8.297 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.656 2.053 -7.383 1.00 0.00 C ATOM 0 H ILE A 81 0.755 1.989 -9.203 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.905 3.561 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.395 3.359 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.806 2.612 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.488 1.511 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.391 4.738 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.072 5.668 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.455 5.134 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.334 1.207 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.873 1.799 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.212 2.918 -7.021 1.00 0.00 H new ATOM 1193 N VAL A 82 1.267 5.453 -9.126 1.00 0.00 N ATOM 1194 CA VAL A 82 1.927 6.747 -9.164 1.00 0.00 C ATOM 1195 C VAL A 82 2.444 7.011 -10.579 1.00 0.00 C ATOM 1196 O VAL A 82 2.081 8.009 -11.200 1.00 0.00 O ATOM 1197 CB VAL A 82 3.030 6.802 -8.105 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.767 8.142 -8.150 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.463 6.535 -6.709 1.00 0.00 C ATOM 0 H VAL A 82 1.533 4.861 -8.339 1.00 0.00 H new ATOM 0 HA VAL A 82 1.222 7.542 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 82 3.750 6.016 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.546 8.155 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.219 8.276 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.062 8.952 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.267 6.580 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.712 7.288 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.005 5.546 -6.685 1.00 0.00 H new