USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 599 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 401 LYS NZ :NH3+ 152:sc= 0.555 (180deg=0.154) USER MOD Set 1.2: A 415 SER OG : rot -112:sc= -1.33! USER MOD Set 2.1: A 374 TYR OH : rot 165:sc= -0.945 USER MOD Set 2.2: A 384 GLN : amide:sc= -2.83! C(o=-3.8!,f=-3.8!) USER MOD Set 3.1: A 381 ASN : amide:sc= -5.59! C(o=-8.1!,f=-6.9!) USER MOD Set 3.2: A 391 ASN : amide:sc= -2.51! C(o=-8.1!,f=-9.6!) USER MOD Set 4.1: A 379 TYR OH : rot -140:sc= 1.2 USER MOD Set 4.2: A 395 GLN : amide:sc= 0.9 K(o=2.1,f=-0.024) USER MOD Set 5.1: A 365 THR OG1 : rot 19:sc= -1.61! USER MOD Set 5.2: A 443 MET CE :methyl 154:sc= -0.307 (180deg=-1.82) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 SER OG : rot 84:sc= 1.28 USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 398 ASN : amide:sc= -0.0679 K(o=-0.068,f=-0.7) USER MOD Single : A 402 TYR OH : rot 15:sc= -1.18! USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.33) USER MOD Single : A 407 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 35:sc= 0.42 USER MOD Single : A 426 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.4) USER MOD Single : A 430 SER OG : rot 1:sc= 0.496 USER MOD Single : A 435 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.8!) USER MOD Single : A 436 LYS NZ :NH3+ -172:sc= -0.0179 (180deg=-0.0971) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -178:sc= 1.1 (180deg=0.988) USER MOD Single : A 444 LYS NZ :NH3+ -117:sc= 1.12 (180deg=-0.105) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 365 13.078 17.352 -3.372 1.00 14.20 N ATOM 139 CA THR A 365 13.879 18.515 -3.691 1.00 71.41 C ATOM 140 C THR A 365 13.980 18.678 -5.204 1.00 22.24 C ATOM 141 O THR A 365 14.117 17.696 -5.914 1.00 21.31 O ATOM 142 CB THR A 365 15.289 18.371 -3.113 1.00 33.31 C ATOM 143 OG1 THR A 365 15.183 17.853 -1.792 1.00 52.23 O ATOM 144 CG2 THR A 365 15.938 19.737 -3.021 1.00 30.51 C ATOM 0 HA THR A 365 13.398 19.390 -3.255 1.00 71.41 H new ATOM 0 HB THR A 365 15.880 17.713 -3.750 1.00 33.31 H new ATOM 0 HG1 THR A 365 14.306 17.431 -1.676 1.00 52.23 H new ATOM 0 HG21 THR A 365 16.942 19.636 -2.609 1.00 30.51 H new ATOM 0 HG22 THR A 365 15.996 20.180 -4.015 1.00 30.51 H new ATOM 0 HG23 THR A 365 15.343 20.380 -2.372 1.00 30.51 H new ATOM 152 N LYS A 366 13.898 19.897 -5.699 1.00 11.24 N ATOM 153 CA LYS A 366 14.043 20.131 -7.105 1.00 55.13 C ATOM 154 C LYS A 366 14.754 21.430 -7.362 1.00 54.51 C ATOM 155 O LYS A 366 14.579 22.406 -6.623 1.00 42.20 O ATOM 156 CB LYS A 366 12.715 19.991 -7.872 1.00 0.22 C ATOM 157 CG LYS A 366 11.571 20.857 -7.385 1.00 5.31 C ATOM 158 CD LYS A 366 10.303 20.499 -8.139 1.00 74.21 C ATOM 159 CE LYS A 366 9.097 21.277 -7.645 1.00 22.21 C ATOM 160 NZ LYS A 366 7.857 20.819 -8.306 1.00 34.05 N ATOM 0 H LYS A 366 13.732 20.735 -5.141 1.00 11.24 H new ATOM 0 HA LYS A 366 14.677 19.342 -7.509 1.00 55.13 H new ATOM 0 HB2 LYS A 366 12.898 20.223 -8.921 1.00 0.22 H new ATOM 0 HB3 LYS A 366 12.400 18.948 -7.826 1.00 0.22 H new ATOM 0 HG2 LYS A 366 11.423 20.713 -6.315 1.00 5.31 H new ATOM 0 HG3 LYS A 366 11.810 21.910 -7.534 1.00 5.31 H new ATOM 0 HD2 LYS A 366 10.448 20.695 -9.201 1.00 74.21 H new ATOM 0 HD3 LYS A 366 10.111 19.431 -8.035 1.00 74.21 H new ATOM 0 HE2 LYS A 366 9.002 21.158 -6.566 1.00 22.21 H new ATOM 0 HE3 LYS A 366 9.243 22.340 -7.837 1.00 22.21 H new ATOM 0 HZ1 LYS A 366 7.050 21.369 -7.949 1.00 34.05 H new ATOM 0 HZ2 LYS A 366 7.941 20.955 -9.334 1.00 34.05 H new ATOM 0 HZ3 LYS A 366 7.707 19.810 -8.102 1.00 34.05 H new ATOM 174 N ARG A 367 15.586 21.426 -8.359 1.00 13.03 N ATOM 175 CA ARG A 367 16.407 22.558 -8.691 1.00 4.12 C ATOM 176 C ARG A 367 16.673 22.462 -10.177 1.00 25.35 C ATOM 177 O ARG A 367 16.928 21.371 -10.672 1.00 12.52 O ATOM 178 CB ARG A 367 17.737 22.393 -7.967 1.00 3.12 C ATOM 179 CG ARG A 367 18.576 23.641 -7.815 1.00 2.33 C ATOM 180 CD ARG A 367 18.015 24.518 -6.715 1.00 12.42 C ATOM 181 NE ARG A 367 18.847 25.714 -6.487 1.00 20.35 N ATOM 182 CZ ARG A 367 18.943 26.373 -5.311 1.00 73.24 C ATOM 183 NH1 ARG A 367 18.194 26.009 -4.266 1.00 31.41 N ATOM 184 NH2 ARG A 367 19.787 27.396 -5.188 1.00 55.14 N ATOM 0 H ARG A 367 15.718 20.625 -8.976 1.00 13.03 H new ATOM 0 HA ARG A 367 15.936 23.503 -8.419 1.00 4.12 H new ATOM 0 HB2 ARG A 367 17.538 21.991 -6.973 1.00 3.12 H new ATOM 0 HB3 ARG A 367 18.327 21.647 -8.500 1.00 3.12 H new ATOM 0 HG2 ARG A 367 19.606 23.370 -7.584 1.00 2.33 H new ATOM 0 HG3 ARG A 367 18.595 24.192 -8.755 1.00 2.33 H new ATOM 0 HD2 ARG A 367 17.002 24.825 -6.976 1.00 12.42 H new ATOM 0 HD3 ARG A 367 17.946 23.943 -5.792 1.00 12.42 H new ATOM 0 HE ARG A 367 19.389 26.070 -7.274 1.00 20.35 H new ATOM 0 HH11 ARG A 367 17.543 25.228 -4.352 1.00 31.41 H new ATOM 0 HH12 ARG A 367 18.273 26.512 -3.382 1.00 31.41 H new ATOM 0 HH21 ARG A 367 20.361 27.682 -5.981 1.00 55.14 H new ATOM 0 HH22 ARG A 367 19.860 27.893 -4.300 1.00 55.14 H new ATOM 198 N GLU A 368 16.614 23.538 -10.895 1.00 63.15 N ATOM 199 CA GLU A 368 16.860 23.457 -12.290 1.00 40.43 C ATOM 200 C GLU A 368 18.266 23.871 -12.690 1.00 43.42 C ATOM 201 O GLU A 368 18.710 24.984 -12.425 1.00 32.41 O ATOM 202 CB GLU A 368 15.719 24.049 -13.147 1.00 22.24 C ATOM 203 CG GLU A 368 15.189 25.439 -12.767 1.00 24.24 C ATOM 204 CD GLU A 368 16.175 26.554 -12.945 1.00 74.54 C ATOM 205 OE1 GLU A 368 16.566 26.831 -14.092 1.00 30.11 O ATOM 206 OE2 GLU A 368 16.566 27.176 -11.945 1.00 4.02 O ATOM 0 H GLU A 368 16.400 24.470 -10.540 1.00 63.15 H new ATOM 0 HA GLU A 368 16.840 22.395 -12.536 1.00 40.43 H new ATOM 0 HB2 GLU A 368 16.063 24.092 -14.180 1.00 22.24 H new ATOM 0 HB3 GLU A 368 14.882 23.352 -13.119 1.00 22.24 H new ATOM 0 HG2 GLU A 368 14.306 25.653 -13.369 1.00 24.24 H new ATOM 0 HG3 GLU A 368 14.868 25.419 -11.726 1.00 24.24 H new ATOM 213 N ILE A 369 18.986 22.938 -13.279 1.00 71.15 N ATOM 214 CA ILE A 369 20.343 23.176 -13.734 1.00 34.01 C ATOM 215 C ILE A 369 20.408 22.964 -15.252 1.00 52.32 C ATOM 216 O ILE A 369 19.881 21.984 -15.764 1.00 60.21 O ATOM 217 CB ILE A 369 21.417 22.239 -13.026 1.00 71.13 C ATOM 218 CG1 ILE A 369 21.497 22.435 -11.484 1.00 64.34 C ATOM 219 CG2 ILE A 369 22.800 22.412 -13.634 1.00 30.30 C ATOM 220 CD1 ILE A 369 20.322 21.892 -10.694 1.00 54.03 C ATOM 0 H ILE A 369 18.648 21.992 -13.456 1.00 71.15 H new ATOM 0 HA ILE A 369 20.594 24.203 -13.468 1.00 34.01 H new ATOM 0 HB ILE A 369 21.066 21.223 -13.205 1.00 71.13 H new ATOM 0 HG12 ILE A 369 22.407 21.958 -11.122 1.00 64.34 H new ATOM 0 HG13 ILE A 369 21.591 23.501 -11.275 1.00 64.34 H new ATOM 0 HG21 ILE A 369 23.506 21.756 -13.125 1.00 30.30 H new ATOM 0 HG22 ILE A 369 22.766 22.156 -14.693 1.00 30.30 H new ATOM 0 HG23 ILE A 369 23.120 23.448 -13.521 1.00 30.30 H new ATOM 0 HD11 ILE A 369 20.479 22.081 -9.632 1.00 54.03 H new ATOM 0 HD12 ILE A 369 19.406 22.386 -11.019 1.00 54.03 H new ATOM 0 HD13 ILE A 369 20.235 20.819 -10.863 1.00 54.03 H new ATOM 232 N GLY A 370 21.024 23.901 -15.955 1.00 3.13 N ATOM 233 CA GLY A 370 21.201 23.798 -17.404 1.00 72.42 C ATOM 234 C GLY A 370 19.901 23.765 -18.203 1.00 13.40 C ATOM 235 O GLY A 370 19.876 23.273 -19.341 1.00 55.13 O ATOM 0 H GLY A 370 21.414 24.750 -15.546 1.00 3.13 H new ATOM 0 HA2 GLY A 370 21.800 24.643 -17.744 1.00 72.42 H new ATOM 0 HA3 GLY A 370 21.770 22.895 -17.624 1.00 72.42 H new ATOM 239 N GLY A 371 18.830 24.284 -17.626 1.00 22.42 N ATOM 240 CA GLY A 371 17.553 24.319 -18.322 1.00 13.13 C ATOM 241 C GLY A 371 16.669 23.132 -17.983 1.00 15.11 C ATOM 242 O GLY A 371 15.479 23.110 -18.311 1.00 42.15 O ATOM 0 H GLY A 371 18.817 24.683 -16.687 1.00 22.42 H new ATOM 0 HA2 GLY A 371 17.030 25.241 -18.067 1.00 13.13 H new ATOM 0 HA3 GLY A 371 17.730 24.340 -19.397 1.00 13.13 H new ATOM 246 N TYR A 372 17.239 22.151 -17.333 1.00 63.41 N ATOM 247 CA TYR A 372 16.505 20.975 -16.932 1.00 35.42 C ATOM 248 C TYR A 372 16.371 20.879 -15.441 1.00 14.22 C ATOM 249 O TYR A 372 17.312 21.137 -14.695 1.00 64.33 O ATOM 250 CB TYR A 372 17.035 19.672 -17.588 1.00 72.45 C ATOM 251 CG TYR A 372 18.535 19.591 -17.747 1.00 33.45 C ATOM 252 CD1 TYR A 372 19.146 20.111 -18.875 1.00 62.41 C ATOM 253 CD2 TYR A 372 19.330 19.006 -16.797 1.00 23.12 C ATOM 254 CE1 TYR A 372 20.510 20.048 -19.045 1.00 31.25 C ATOM 255 CE2 TYR A 372 20.701 18.940 -16.962 1.00 30.33 C ATOM 256 CZ TYR A 372 21.280 19.464 -18.082 1.00 64.03 C ATOM 257 OH TYR A 372 22.646 19.398 -18.243 1.00 71.14 O ATOM 0 H TYR A 372 18.223 22.143 -17.066 1.00 63.41 H new ATOM 0 HA TYR A 372 15.494 21.093 -17.322 1.00 35.42 H new ATOM 0 HB2 TYR A 372 16.704 18.823 -16.990 1.00 72.45 H new ATOM 0 HB3 TYR A 372 16.576 19.568 -18.571 1.00 72.45 H new ATOM 0 HD1 TYR A 372 18.539 20.576 -19.638 1.00 62.41 H new ATOM 0 HD2 TYR A 372 18.880 18.591 -15.907 1.00 23.12 H new ATOM 0 HE1 TYR A 372 20.967 20.458 -19.934 1.00 31.25 H new ATOM 0 HE2 TYR A 372 21.314 18.474 -16.205 1.00 30.33 H new ATOM 0 HH TYR A 372 23.046 18.953 -17.467 1.00 71.14 H new ATOM 267 N THR A 373 15.202 20.524 -15.008 1.00 0.41 N ATOM 268 CA THR A 373 14.899 20.493 -13.620 1.00 71.30 C ATOM 269 C THR A 373 15.271 19.171 -13.029 1.00 71.31 C ATOM 270 O THR A 373 14.726 18.132 -13.410 1.00 3.21 O ATOM 271 CB THR A 373 13.407 20.789 -13.367 1.00 41.32 C ATOM 272 OG1 THR A 373 13.079 22.052 -13.964 1.00 51.51 O ATOM 273 CG2 THR A 373 13.108 20.856 -11.869 1.00 35.03 C ATOM 0 H THR A 373 14.430 20.247 -15.614 1.00 0.41 H new ATOM 0 HA THR A 373 15.487 21.272 -13.135 1.00 71.30 H new ATOM 0 HB THR A 373 12.812 19.987 -13.805 1.00 41.32 H new ATOM 0 HG1 THR A 373 12.132 22.250 -13.811 1.00 51.51 H new ATOM 0 HG21 THR A 373 12.049 21.066 -11.718 1.00 35.03 H new ATOM 0 HG22 THR A 373 13.358 19.902 -11.405 1.00 35.03 H new ATOM 0 HG23 THR A 373 13.703 21.648 -11.414 1.00 35.03 H new ATOM 281 N TYR A 374 16.194 19.217 -12.125 1.00 61.42 N ATOM 282 CA TYR A 374 16.621 18.077 -11.409 1.00 25.02 C ATOM 283 C TYR A 374 15.727 17.898 -10.231 1.00 54.10 C ATOM 284 O TYR A 374 15.546 18.821 -9.440 1.00 41.33 O ATOM 285 CB TYR A 374 18.059 18.245 -10.924 1.00 40.25 C ATOM 286 CG TYR A 374 19.130 18.039 -11.956 1.00 74.11 C ATOM 287 CD1 TYR A 374 19.558 19.062 -12.782 1.00 62.31 C ATOM 288 CD2 TYR A 374 19.739 16.803 -12.081 1.00 50.22 C ATOM 289 CE1 TYR A 374 20.562 18.851 -13.703 1.00 14.25 C ATOM 290 CE2 TYR A 374 20.739 16.590 -12.993 1.00 0.14 C ATOM 291 CZ TYR A 374 21.149 17.609 -13.799 1.00 50.25 C ATOM 292 OH TYR A 374 22.148 17.383 -14.715 1.00 55.14 O ATOM 0 H TYR A 374 16.680 20.075 -11.863 1.00 61.42 H new ATOM 0 HA TYR A 374 16.578 17.208 -12.065 1.00 25.02 H new ATOM 0 HB2 TYR A 374 18.168 19.248 -10.512 1.00 40.25 H new ATOM 0 HB3 TYR A 374 18.230 17.544 -10.107 1.00 40.25 H new ATOM 0 HD1 TYR A 374 19.101 20.037 -12.705 1.00 62.31 H new ATOM 0 HD2 TYR A 374 19.420 15.989 -11.447 1.00 50.22 H new ATOM 0 HE1 TYR A 374 20.887 19.656 -14.346 1.00 14.25 H new ATOM 0 HE2 TYR A 374 21.201 15.617 -13.073 1.00 0.14 H new ATOM 0 HH TYR A 374 22.606 16.544 -14.499 1.00 55.14 H new ATOM 302 N LYS A 375 15.163 16.750 -10.116 1.00 65.31 N ATOM 303 CA LYS A 375 14.329 16.454 -9.009 1.00 13.05 C ATOM 304 C LYS A 375 14.965 15.335 -8.278 1.00 44.54 C ATOM 305 O LYS A 375 15.205 14.283 -8.855 1.00 2.51 O ATOM 306 CB LYS A 375 12.946 16.000 -9.475 1.00 14.41 C ATOM 307 CG LYS A 375 11.985 15.721 -8.323 1.00 61.12 C ATOM 308 CD LYS A 375 10.691 15.061 -8.784 1.00 73.41 C ATOM 309 CE LYS A 375 9.978 15.873 -9.835 1.00 45.21 C ATOM 310 NZ LYS A 375 8.684 15.277 -10.207 1.00 31.13 N ATOM 0 H LYS A 375 15.267 15.989 -10.787 1.00 65.31 H new ATOM 0 HA LYS A 375 14.210 17.341 -8.387 1.00 13.05 H new ATOM 0 HB2 LYS A 375 12.517 16.767 -10.120 1.00 14.41 H new ATOM 0 HB3 LYS A 375 13.051 15.098 -10.079 1.00 14.41 H new ATOM 0 HG2 LYS A 375 12.476 15.078 -7.593 1.00 61.12 H new ATOM 0 HG3 LYS A 375 11.750 16.657 -7.816 1.00 61.12 H new ATOM 0 HD2 LYS A 375 10.912 14.070 -9.181 1.00 73.41 H new ATOM 0 HD3 LYS A 375 10.032 14.921 -7.927 1.00 73.41 H new ATOM 0 HE2 LYS A 375 9.818 16.886 -9.464 1.00 45.21 H new ATOM 0 HE3 LYS A 375 10.608 15.954 -10.721 1.00 45.21 H new ATOM 0 HZ1 LYS A 375 8.226 15.866 -10.932 1.00 31.13 H new ATOM 0 HZ2 LYS A 375 8.838 14.320 -10.585 1.00 31.13 H new ATOM 0 HZ3 LYS A 375 8.072 15.223 -9.368 1.00 31.13 H new ATOM 324 N VAL A 376 15.215 15.533 -7.039 1.00 50.52 N ATOM 325 CA VAL A 376 15.823 14.541 -6.237 1.00 24.53 C ATOM 326 C VAL A 376 14.866 14.126 -5.185 1.00 43.24 C ATOM 327 O VAL A 376 14.625 14.858 -4.212 1.00 54.34 O ATOM 328 CB VAL A 376 17.148 15.014 -5.584 1.00 1.14 C ATOM 329 CG1 VAL A 376 17.746 13.907 -4.714 1.00 74.44 C ATOM 330 CG2 VAL A 376 18.146 15.436 -6.647 1.00 60.43 C ATOM 0 H VAL A 376 15.000 16.400 -6.546 1.00 50.52 H new ATOM 0 HA VAL A 376 16.079 13.704 -6.886 1.00 24.53 H new ATOM 0 HB VAL A 376 16.926 15.873 -4.951 1.00 1.14 H new ATOM 0 HG11 VAL A 376 18.675 14.259 -4.265 1.00 74.44 H new ATOM 0 HG12 VAL A 376 17.040 13.642 -3.927 1.00 74.44 H new ATOM 0 HG13 VAL A 376 17.950 13.031 -5.329 1.00 74.44 H new ATOM 0 HG21 VAL A 376 19.069 15.765 -6.169 1.00 60.43 H new ATOM 0 HG22 VAL A 376 18.357 14.592 -7.303 1.00 60.43 H new ATOM 0 HG23 VAL A 376 17.729 16.255 -7.233 1.00 60.43 H new ATOM 340 N VAL A 377 14.264 13.006 -5.394 1.00 63.41 N ATOM 341 CA VAL A 377 13.412 12.474 -4.419 1.00 12.22 C ATOM 342 C VAL A 377 14.147 11.389 -3.736 1.00 24.13 C ATOM 343 O VAL A 377 14.466 10.360 -4.357 1.00 72.01 O ATOM 344 CB VAL A 377 12.122 11.892 -4.989 1.00 33.23 C ATOM 345 CG1 VAL A 377 11.207 11.489 -3.849 1.00 32.53 C ATOM 346 CG2 VAL A 377 11.440 12.874 -5.904 1.00 63.15 C ATOM 0 H VAL A 377 14.355 12.446 -6.242 1.00 63.41 H new ATOM 0 HA VAL A 377 13.125 13.285 -3.749 1.00 12.22 H new ATOM 0 HB VAL A 377 12.364 11.011 -5.583 1.00 33.23 H new ATOM 0 HG11 VAL A 377 10.284 11.073 -4.253 1.00 32.53 H new ATOM 0 HG12 VAL A 377 11.703 10.740 -3.232 1.00 32.53 H new ATOM 0 HG13 VAL A 377 10.975 12.364 -3.242 1.00 32.53 H new ATOM 0 HG21 VAL A 377 10.524 12.431 -6.295 1.00 63.15 H new ATOM 0 HG22 VAL A 377 11.197 13.780 -5.349 1.00 63.15 H new ATOM 0 HG23 VAL A 377 12.105 13.122 -6.731 1.00 63.15 H new ATOM 356 N PHE A 378 14.459 11.614 -2.493 1.00 3.10 N ATOM 357 CA PHE A 378 15.109 10.624 -1.697 1.00 73.12 C ATOM 358 C PHE A 378 14.294 9.357 -1.675 1.00 64.31 C ATOM 359 O PHE A 378 13.064 9.406 -1.548 1.00 33.33 O ATOM 360 CB PHE A 378 15.339 11.125 -0.277 1.00 70.13 C ATOM 361 CG PHE A 378 16.485 12.050 -0.095 1.00 13.11 C ATOM 362 CD1 PHE A 378 16.433 13.364 -0.514 1.00 73.51 C ATOM 363 CD2 PHE A 378 17.623 11.591 0.519 1.00 42.54 C ATOM 364 CE1 PHE A 378 17.513 14.200 -0.318 1.00 45.42 C ATOM 365 CE2 PHE A 378 18.694 12.402 0.720 1.00 5.42 C ATOM 366 CZ PHE A 378 18.648 13.719 0.303 1.00 42.02 C ATOM 0 H PHE A 378 14.269 12.490 -2.006 1.00 3.10 H new ATOM 0 HA PHE A 378 16.081 10.415 -2.144 1.00 73.12 H new ATOM 0 HB2 PHE A 378 14.433 11.628 0.061 1.00 70.13 H new ATOM 0 HB3 PHE A 378 15.486 10.262 0.373 1.00 70.13 H new ATOM 0 HD1 PHE A 378 15.543 13.739 -0.997 1.00 73.51 H new ATOM 0 HD2 PHE A 378 17.668 10.564 0.849 1.00 42.54 H new ATOM 0 HE1 PHE A 378 17.470 15.227 -0.649 1.00 45.42 H new ATOM 0 HE2 PHE A 378 19.580 12.019 1.205 1.00 5.42 H new ATOM 0 HZ PHE A 378 19.496 14.369 0.462 1.00 42.02 H new ATOM 376 N TYR A 379 14.979 8.237 -1.875 1.00 42.51 N ATOM 377 CA TYR A 379 14.393 6.892 -1.814 1.00 34.30 C ATOM 378 C TYR A 379 13.614 6.519 -3.064 1.00 50.23 C ATOM 379 O TYR A 379 13.341 5.351 -3.298 1.00 61.00 O ATOM 380 CB TYR A 379 13.574 6.676 -0.533 1.00 64.22 C ATOM 381 CG TYR A 379 14.418 6.770 0.724 1.00 20.32 C ATOM 382 CD1 TYR A 379 14.737 8.000 1.276 1.00 70.44 C ATOM 383 CD2 TYR A 379 14.917 5.635 1.331 1.00 1.13 C ATOM 384 CE1 TYR A 379 15.528 8.108 2.392 1.00 11.34 C ATOM 385 CE2 TYR A 379 15.704 5.726 2.456 1.00 1.31 C ATOM 386 CZ TYR A 379 16.008 6.965 2.983 1.00 64.10 C ATOM 387 OH TYR A 379 16.804 7.053 4.104 1.00 32.42 O ATOM 0 H TYR A 379 15.976 8.232 -2.088 1.00 42.51 H new ATOM 0 HA TYR A 379 15.236 6.202 -1.775 1.00 34.30 H new ATOM 0 HB2 TYR A 379 12.777 7.418 -0.487 1.00 64.22 H new ATOM 0 HB3 TYR A 379 13.096 5.697 -0.573 1.00 64.22 H new ATOM 0 HD1 TYR A 379 14.353 8.898 0.815 1.00 70.44 H new ATOM 0 HD2 TYR A 379 14.687 4.664 0.918 1.00 1.13 H new ATOM 0 HE1 TYR A 379 15.770 9.078 2.800 1.00 11.34 H new ATOM 0 HE2 TYR A 379 16.083 4.830 2.926 1.00 1.31 H new ATOM 0 HH TYR A 379 17.528 6.396 4.043 1.00 32.42 H new ATOM 397 N GLU A 380 13.263 7.492 -3.864 1.00 71.31 N ATOM 398 CA GLU A 380 12.601 7.202 -5.099 1.00 52.12 C ATOM 399 C GLU A 380 13.578 7.184 -6.255 1.00 74.22 C ATOM 400 O GLU A 380 14.059 6.119 -6.659 1.00 22.34 O ATOM 401 CB GLU A 380 11.427 8.144 -5.402 1.00 10.13 C ATOM 402 CG GLU A 380 10.203 7.955 -4.547 1.00 74.35 C ATOM 403 CD GLU A 380 9.020 8.763 -5.060 1.00 33.45 C ATOM 404 OE1 GLU A 380 8.384 8.342 -6.045 1.00 50.13 O ATOM 405 OE2 GLU A 380 8.706 9.823 -4.500 1.00 23.14 O ATOM 0 H GLU A 380 13.425 8.482 -3.681 1.00 71.31 H new ATOM 0 HA GLU A 380 12.176 6.206 -4.978 1.00 52.12 H new ATOM 0 HB2 GLU A 380 11.771 9.172 -5.290 1.00 10.13 H new ATOM 0 HB3 GLU A 380 11.142 8.016 -6.446 1.00 10.13 H new ATOM 0 HG2 GLU A 380 9.937 6.898 -4.523 1.00 74.35 H new ATOM 0 HG3 GLU A 380 10.427 8.251 -3.522 1.00 74.35 H new ATOM 412 N ASN A 381 13.874 8.366 -6.786 1.00 4.15 N ATOM 413 CA ASN A 381 14.750 8.534 -7.951 1.00 71.04 C ATOM 414 C ASN A 381 14.922 9.981 -8.327 1.00 24.24 C ATOM 415 O ASN A 381 14.262 10.858 -7.761 1.00 60.32 O ATOM 416 CB ASN A 381 14.386 7.631 -9.183 1.00 51.21 C ATOM 417 CG ASN A 381 12.935 7.643 -9.670 1.00 63.44 C ATOM 418 OD1 ASN A 381 12.668 7.445 -10.836 1.00 72.33 O ATOM 419 ND2 ASN A 381 12.016 7.820 -8.797 1.00 55.04 N ATOM 0 H ASN A 381 13.511 9.246 -6.419 1.00 4.15 H new ATOM 0 HA ASN A 381 15.722 8.164 -7.624 1.00 71.04 H new ATOM 0 HB2 ASN A 381 15.022 7.929 -10.017 1.00 51.21 H new ATOM 0 HB3 ASN A 381 14.648 6.603 -8.934 1.00 51.21 H new ATOM 0 HD21 ASN A 381 11.035 7.796 -9.077 1.00 55.04 H new ATOM 0 HD22 ASN A 381 12.264 7.985 -7.822 1.00 55.04 H new ATOM 426 N VAL A 382 15.827 10.230 -9.258 1.00 62.14 N ATOM 427 CA VAL A 382 16.176 11.578 -9.662 1.00 1.35 C ATOM 428 C VAL A 382 15.889 11.781 -11.138 1.00 60.35 C ATOM 429 O VAL A 382 16.282 10.959 -11.976 1.00 22.13 O ATOM 430 CB VAL A 382 17.675 11.884 -9.380 1.00 45.43 C ATOM 431 CG1 VAL A 382 18.027 13.311 -9.791 1.00 2.42 C ATOM 432 CG2 VAL A 382 17.994 11.669 -7.914 1.00 64.43 C ATOM 0 H VAL A 382 16.340 9.502 -9.755 1.00 62.14 H new ATOM 0 HA VAL A 382 15.565 12.264 -9.075 1.00 1.35 H new ATOM 0 HB VAL A 382 18.277 11.197 -9.975 1.00 45.43 H new ATOM 0 HG11 VAL A 382 19.080 13.500 -9.584 1.00 2.42 H new ATOM 0 HG12 VAL A 382 17.838 13.440 -10.857 1.00 2.42 H new ATOM 0 HG13 VAL A 382 17.414 14.014 -9.226 1.00 2.42 H new ATOM 0 HG21 VAL A 382 19.047 11.888 -7.735 1.00 64.43 H new ATOM 0 HG22 VAL A 382 17.377 12.331 -7.307 1.00 64.43 H new ATOM 0 HG23 VAL A 382 17.788 10.633 -7.645 1.00 64.43 H new ATOM 442 N PHE A 383 15.227 12.866 -11.452 1.00 34.43 N ATOM 443 CA PHE A 383 14.856 13.161 -12.816 1.00 54.20 C ATOM 444 C PHE A 383 15.438 14.486 -13.235 1.00 35.33 C ATOM 445 O PHE A 383 15.816 15.297 -12.397 1.00 25.40 O ATOM 446 CB PHE A 383 13.333 13.285 -12.948 1.00 24.25 C ATOM 447 CG PHE A 383 12.551 12.146 -12.395 1.00 73.51 C ATOM 448 CD1 PHE A 383 12.415 10.970 -13.097 1.00 25.12 C ATOM 449 CD2 PHE A 383 11.946 12.265 -11.160 1.00 21.14 C ATOM 450 CE1 PHE A 383 11.686 9.924 -12.575 1.00 4.33 C ATOM 451 CE2 PHE A 383 11.216 11.236 -10.628 1.00 35.53 C ATOM 452 CZ PHE A 383 11.083 10.057 -11.334 1.00 71.55 C ATOM 0 H PHE A 383 14.930 13.568 -10.774 1.00 34.43 H new ATOM 0 HA PHE A 383 15.232 12.349 -13.439 1.00 54.20 H new ATOM 0 HB2 PHE A 383 13.015 14.199 -12.447 1.00 24.25 H new ATOM 0 HB3 PHE A 383 13.084 13.396 -14.003 1.00 24.25 H new ATOM 0 HD1 PHE A 383 12.883 10.866 -14.065 1.00 25.12 H new ATOM 0 HD2 PHE A 383 12.050 13.185 -10.604 1.00 21.14 H new ATOM 0 HE1 PHE A 383 11.585 9.004 -13.131 1.00 4.33 H new ATOM 0 HE2 PHE A 383 10.747 11.346 -9.661 1.00 35.53 H new ATOM 0 HZ PHE A 383 10.510 9.240 -10.920 1.00 71.55 H new ATOM 462 N GLN A 384 15.519 14.676 -14.517 1.00 3.52 N ATOM 463 CA GLN A 384 15.843 15.941 -15.121 1.00 33.43 C ATOM 464 C GLN A 384 14.875 16.230 -16.243 1.00 74.03 C ATOM 465 O GLN A 384 14.973 15.656 -17.334 1.00 65.11 O ATOM 466 CB GLN A 384 17.294 16.035 -15.584 1.00 52.32 C ATOM 467 CG GLN A 384 17.798 14.824 -16.348 1.00 15.13 C ATOM 468 CD GLN A 384 19.218 14.973 -16.857 1.00 40.21 C ATOM 469 OE1 GLN A 384 19.579 14.404 -17.869 1.00 64.03 O ATOM 470 NE2 GLN A 384 20.022 15.721 -16.158 1.00 61.43 N ATOM 0 H GLN A 384 15.357 13.933 -15.197 1.00 3.52 H new ATOM 0 HA GLN A 384 15.739 16.708 -14.353 1.00 33.43 H new ATOM 0 HB2 GLN A 384 17.403 16.917 -16.216 1.00 52.32 H new ATOM 0 HB3 GLN A 384 17.930 16.187 -14.712 1.00 52.32 H new ATOM 0 HG2 GLN A 384 17.743 13.949 -15.701 1.00 15.13 H new ATOM 0 HG3 GLN A 384 17.136 14.637 -17.194 1.00 15.13 H new ATOM 0 HE21 GLN A 384 19.684 16.183 -15.314 1.00 61.43 H new ATOM 0 HE22 GLN A 384 20.990 15.845 -16.454 1.00 61.43 H new ATOM 479 N ASP A 385 13.911 17.084 -15.937 1.00 33.53 N ATOM 480 CA ASP A 385 12.821 17.494 -16.849 1.00 0.44 C ATOM 481 C ASP A 385 11.883 16.332 -17.129 1.00 34.33 C ATOM 482 O ASP A 385 10.808 16.243 -16.550 1.00 4.33 O ATOM 483 CB ASP A 385 13.342 18.071 -18.174 1.00 14.43 C ATOM 484 CG ASP A 385 12.230 18.637 -19.045 1.00 61.54 C ATOM 485 OD1 ASP A 385 11.609 17.874 -19.822 1.00 45.04 O ATOM 486 OD2 ASP A 385 11.965 19.853 -18.970 1.00 31.00 O ATOM 0 H ASP A 385 13.851 17.532 -15.023 1.00 33.53 H new ATOM 0 HA ASP A 385 12.275 18.287 -16.337 1.00 0.44 H new ATOM 0 HB2 ASP A 385 14.068 18.856 -17.963 1.00 14.43 H new ATOM 0 HB3 ASP A 385 13.867 17.290 -18.724 1.00 14.43 H new ATOM 491 N SER A 386 12.314 15.449 -18.001 1.00 23.34 N ATOM 492 CA SER A 386 11.554 14.287 -18.383 1.00 20.21 C ATOM 493 C SER A 386 12.477 13.066 -18.480 1.00 42.32 C ATOM 494 O SER A 386 12.039 11.953 -18.790 1.00 43.02 O ATOM 495 CB SER A 386 10.902 14.539 -19.737 1.00 23.51 C ATOM 496 OG SER A 386 10.050 15.677 -19.699 1.00 61.45 O ATOM 0 H SER A 386 13.217 15.522 -18.470 1.00 23.34 H new ATOM 0 HA SER A 386 10.787 14.094 -17.633 1.00 20.21 H new ATOM 0 HB2 SER A 386 11.674 14.686 -20.493 1.00 23.51 H new ATOM 0 HB3 SER A 386 10.327 13.662 -20.035 1.00 23.51 H new ATOM 0 HG SER A 386 10.582 16.489 -19.837 1.00 61.45 H new ATOM 502 N ILE A 387 13.746 13.279 -18.224 1.00 62.44 N ATOM 503 CA ILE A 387 14.721 12.219 -18.313 1.00 25.22 C ATOM 504 C ILE A 387 15.072 11.706 -16.928 1.00 61.35 C ATOM 505 O ILE A 387 15.409 12.474 -16.043 1.00 34.44 O ATOM 506 CB ILE A 387 16.010 12.688 -19.054 1.00 11.55 C ATOM 507 CG1 ILE A 387 15.704 13.085 -20.510 1.00 33.32 C ATOM 508 CG2 ILE A 387 17.110 11.634 -18.998 1.00 41.22 C ATOM 509 CD1 ILE A 387 15.121 11.971 -21.359 1.00 75.03 C ATOM 0 H ILE A 387 14.129 14.184 -17.950 1.00 62.44 H new ATOM 0 HA ILE A 387 14.277 11.409 -18.892 1.00 25.22 H new ATOM 0 HB ILE A 387 16.376 13.572 -18.532 1.00 11.55 H new ATOM 0 HG12 ILE A 387 15.007 13.923 -20.505 1.00 33.32 H new ATOM 0 HG13 ILE A 387 16.623 13.437 -20.978 1.00 33.32 H new ATOM 0 HG21 ILE A 387 17.991 11.999 -19.526 1.00 41.22 H new ATOM 0 HG22 ILE A 387 17.368 11.432 -17.958 1.00 41.22 H new ATOM 0 HG23 ILE A 387 16.759 10.716 -19.470 1.00 41.22 H new ATOM 0 HD11 ILE A 387 14.937 12.340 -22.368 1.00 75.03 H new ATOM 0 HD12 ILE A 387 15.824 11.139 -21.400 1.00 75.03 H new ATOM 0 HD13 ILE A 387 14.182 11.632 -20.920 1.00 75.03 H new ATOM 521 N LEU A 388 14.964 10.423 -16.752 1.00 41.33 N ATOM 522 CA LEU A 388 15.303 9.775 -15.507 1.00 20.24 C ATOM 523 C LEU A 388 16.806 9.515 -15.433 1.00 51.01 C ATOM 524 O LEU A 388 17.382 8.914 -16.331 1.00 3.41 O ATOM 525 CB LEU A 388 14.481 8.467 -15.379 1.00 13.24 C ATOM 526 CG LEU A 388 14.838 7.488 -14.253 1.00 54.14 C ATOM 527 CD1 LEU A 388 14.822 8.172 -12.915 1.00 73.14 C ATOM 528 CD2 LEU A 388 13.843 6.344 -14.257 1.00 61.00 C ATOM 0 H LEU A 388 14.634 9.783 -17.475 1.00 41.33 H new ATOM 0 HA LEU A 388 15.052 10.424 -14.668 1.00 20.24 H new ATOM 0 HB2 LEU A 388 13.434 8.744 -15.259 1.00 13.24 H new ATOM 0 HB3 LEU A 388 14.562 7.930 -16.324 1.00 13.24 H new ATOM 0 HG LEU A 388 15.845 7.109 -14.425 1.00 54.14 H new ATOM 0 HD11 LEU A 388 15.079 7.454 -12.136 1.00 73.14 H new ATOM 0 HD12 LEU A 388 15.549 8.985 -12.913 1.00 73.14 H new ATOM 0 HD13 LEU A 388 13.827 8.574 -12.724 1.00 73.14 H new ATOM 0 HD21 LEU A 388 14.090 5.644 -13.459 1.00 61.00 H new ATOM 0 HD22 LEU A 388 12.838 6.735 -14.098 1.00 61.00 H new ATOM 0 HD23 LEU A 388 13.884 5.829 -15.217 1.00 61.00 H new ATOM 540 N LEU A 389 17.441 10.007 -14.396 1.00 54.05 N ATOM 541 CA LEU A 389 18.849 9.738 -14.199 1.00 35.00 C ATOM 542 C LEU A 389 19.050 8.316 -13.739 1.00 45.44 C ATOM 543 O LEU A 389 19.378 7.448 -14.527 1.00 55.23 O ATOM 544 CB LEU A 389 19.480 10.714 -13.210 1.00 4.02 C ATOM 545 CG LEU A 389 19.473 12.171 -13.630 1.00 54.40 C ATOM 546 CD1 LEU A 389 20.165 13.018 -12.592 1.00 72.02 C ATOM 547 CD2 LEU A 389 20.145 12.329 -14.977 1.00 3.02 C ATOM 0 H LEU A 389 17.011 10.592 -13.679 1.00 54.05 H new ATOM 0 HA LEU A 389 19.349 9.876 -15.158 1.00 35.00 H new ATOM 0 HB2 LEU A 389 18.957 10.627 -12.258 1.00 4.02 H new ATOM 0 HB3 LEU A 389 20.512 10.410 -13.036 1.00 4.02 H new ATOM 0 HG LEU A 389 18.440 12.507 -13.716 1.00 54.40 H new ATOM 0 HD11 LEU A 389 20.153 14.062 -12.907 1.00 72.02 H new ATOM 0 HD12 LEU A 389 19.647 12.920 -11.638 1.00 72.02 H new ATOM 0 HD13 LEU A 389 21.197 12.685 -12.480 1.00 72.02 H new ATOM 0 HD21 LEU A 389 20.134 13.379 -15.268 1.00 3.02 H new ATOM 0 HD22 LEU A 389 21.176 11.981 -14.912 1.00 3.02 H new ATOM 0 HD23 LEU A 389 19.610 11.740 -15.722 1.00 3.02 H new ATOM 559 N GLY A 390 18.781 8.072 -12.490 1.00 14.24 N ATOM 560 CA GLY A 390 18.981 6.769 -11.952 1.00 23.32 C ATOM 561 C GLY A 390 17.853 6.373 -11.061 1.00 61.11 C ATOM 562 O GLY A 390 16.990 7.188 -10.762 1.00 4.24 O ATOM 0 H GLY A 390 18.423 8.761 -11.829 1.00 14.24 H new ATOM 0 HA2 GLY A 390 19.076 6.048 -12.764 1.00 23.32 H new ATOM 0 HA3 GLY A 390 19.916 6.744 -11.392 1.00 23.32 H new ATOM 566 N ASN A 391 17.895 5.158 -10.583 1.00 21.31 N ATOM 567 CA ASN A 391 16.815 4.588 -9.779 1.00 61.22 C ATOM 568 C ASN A 391 17.319 4.079 -8.485 1.00 70.33 C ATOM 569 O ASN A 391 18.386 3.459 -8.443 1.00 64.45 O ATOM 570 CB ASN A 391 16.082 3.512 -10.556 1.00 33.23 C ATOM 571 CG ASN A 391 14.832 4.047 -11.172 1.00 41.23 C ATOM 572 OD1 ASN A 391 14.144 4.847 -10.566 1.00 12.23 O ATOM 573 ND2 ASN A 391 14.551 3.679 -12.381 1.00 53.23 N ATOM 0 H ASN A 391 18.678 4.522 -10.734 1.00 21.31 H new ATOM 0 HA ASN A 391 16.102 5.382 -9.555 1.00 61.22 H new ATOM 0 HB2 ASN A 391 16.733 3.115 -11.335 1.00 33.23 H new ATOM 0 HB3 ASN A 391 15.837 2.683 -9.892 1.00 33.23 H new ATOM 0 HD21 ASN A 391 13.732 4.062 -12.853 1.00 53.23 H new ATOM 0 HD22 ASN A 391 15.149 3.006 -12.861 1.00 53.23 H new ATOM 580 N PHE A 392 16.565 4.336 -7.415 1.00 74.41 N ATOM 581 CA PHE A 392 17.036 3.995 -6.052 1.00 4.24 C ATOM 582 C PHE A 392 17.388 2.528 -5.911 1.00 0.43 C ATOM 583 O PHE A 392 16.526 1.653 -6.025 1.00 40.43 O ATOM 584 CB PHE A 392 16.026 4.404 -4.977 1.00 74.45 C ATOM 585 CG PHE A 392 16.484 4.124 -3.562 1.00 52.33 C ATOM 586 CD1 PHE A 392 17.443 4.922 -2.959 1.00 50.14 C ATOM 587 CD2 PHE A 392 15.949 3.069 -2.839 1.00 2.03 C ATOM 588 CE1 PHE A 392 17.860 4.672 -1.667 1.00 74.23 C ATOM 589 CE2 PHE A 392 16.363 2.814 -1.546 1.00 13.42 C ATOM 590 CZ PHE A 392 17.320 3.616 -0.960 1.00 33.33 C ATOM 0 H PHE A 392 15.643 4.770 -7.452 1.00 74.41 H new ATOM 0 HA PHE A 392 17.948 4.571 -5.900 1.00 4.24 H new ATOM 0 HB2 PHE A 392 15.817 5.469 -5.076 1.00 74.45 H new ATOM 0 HB3 PHE A 392 15.088 3.877 -5.155 1.00 74.45 H new ATOM 0 HD1 PHE A 392 17.869 5.750 -3.506 1.00 50.14 H new ATOM 0 HD2 PHE A 392 15.199 2.438 -3.293 1.00 2.03 H new ATOM 0 HE1 PHE A 392 18.608 5.302 -1.209 1.00 74.23 H new ATOM 0 HE2 PHE A 392 15.938 1.988 -0.995 1.00 13.42 H new ATOM 0 HZ PHE A 392 17.646 3.418 0.050 1.00 33.33 H new ATOM 600 N ALA A 393 18.647 2.273 -5.657 1.00 15.51 N ATOM 601 CA ALA A 393 19.122 0.929 -5.485 1.00 33.42 C ATOM 602 C ALA A 393 19.389 0.664 -4.024 1.00 31.23 C ATOM 603 O ALA A 393 18.863 -0.289 -3.450 1.00 0.44 O ATOM 604 CB ALA A 393 20.376 0.721 -6.299 1.00 43.51 C ATOM 0 H ALA A 393 19.367 2.990 -5.565 1.00 15.51 H new ATOM 0 HA ALA A 393 18.362 0.230 -5.832 1.00 33.42 H new ATOM 0 HB1 ALA A 393 20.732 -0.300 -6.165 1.00 43.51 H new ATOM 0 HB2 ALA A 393 20.158 0.894 -7.353 1.00 43.51 H new ATOM 0 HB3 ALA A 393 21.145 1.419 -5.968 1.00 43.51 H new ATOM 610 N SER A 394 20.181 1.522 -3.414 1.00 22.14 N ATOM 611 CA SER A 394 20.490 1.383 -2.019 1.00 73.35 C ATOM 612 C SER A 394 21.031 2.689 -1.456 1.00 11.33 C ATOM 613 O SER A 394 21.380 3.619 -2.218 1.00 54.01 O ATOM 614 CB SER A 394 21.489 0.228 -1.794 1.00 13.25 C ATOM 615 OG SER A 394 22.701 0.438 -2.507 1.00 42.31 O ATOM 0 H SER A 394 20.620 2.322 -3.870 1.00 22.14 H new ATOM 0 HA SER A 394 19.570 1.141 -1.486 1.00 73.35 H new ATOM 0 HB2 SER A 394 21.704 0.134 -0.730 1.00 13.25 H new ATOM 0 HB3 SER A 394 21.037 -0.712 -2.112 1.00 13.25 H new ATOM 0 HG SER A 394 23.312 -0.310 -2.341 1.00 42.31 H new ATOM 621 N GLN A 395 21.074 2.773 -0.146 1.00 54.25 N ATOM 622 CA GLN A 395 21.628 3.914 0.524 1.00 15.44 C ATOM 623 C GLN A 395 22.918 3.514 1.207 1.00 53.55 C ATOM 624 O GLN A 395 23.026 2.416 1.765 1.00 63.32 O ATOM 625 CB GLN A 395 20.644 4.508 1.544 1.00 14.22 C ATOM 626 CG GLN A 395 20.220 3.551 2.655 1.00 4.12 C ATOM 627 CD GLN A 395 19.304 4.205 3.662 1.00 42.11 C ATOM 628 OE1 GLN A 395 18.557 5.112 3.336 1.00 25.42 O ATOM 629 NE2 GLN A 395 19.363 3.761 4.885 1.00 53.54 N ATOM 0 H GLN A 395 20.724 2.048 0.481 1.00 54.25 H new ATOM 0 HA GLN A 395 21.828 4.686 -0.219 1.00 15.44 H new ATOM 0 HB2 GLN A 395 21.099 5.389 1.996 1.00 14.22 H new ATOM 0 HB3 GLN A 395 19.753 4.846 1.015 1.00 14.22 H new ATOM 0 HG2 GLN A 395 19.716 2.690 2.216 1.00 4.12 H new ATOM 0 HG3 GLN A 395 21.107 3.176 3.165 1.00 4.12 H new ATOM 0 HE21 GLN A 395 20.000 3.000 5.121 1.00 53.54 H new ATOM 0 HE22 GLN A 395 18.772 4.174 5.607 1.00 53.54 H new ATOM 638 N GLU A 396 23.877 4.371 1.151 1.00 3.01 N ATOM 639 CA GLU A 396 25.148 4.143 1.755 1.00 14.24 C ATOM 640 C GLU A 396 25.394 5.253 2.763 1.00 64.32 C ATOM 641 O GLU A 396 25.801 6.361 2.406 1.00 40.13 O ATOM 642 CB GLU A 396 26.227 4.125 0.667 1.00 20.10 C ATOM 643 CG GLU A 396 27.633 3.843 1.148 1.00 51.42 C ATOM 644 CD GLU A 396 28.603 3.796 0.003 1.00 62.10 C ATOM 645 OE1 GLU A 396 28.748 2.711 -0.626 1.00 74.45 O ATOM 646 OE2 GLU A 396 29.218 4.837 -0.314 1.00 72.41 O ATOM 0 H GLU A 396 23.800 5.270 0.675 1.00 3.01 H new ATOM 0 HA GLU A 396 25.176 3.182 2.269 1.00 14.24 H new ATOM 0 HB2 GLU A 396 25.958 3.373 -0.075 1.00 20.10 H new ATOM 0 HB3 GLU A 396 26.222 5.089 0.159 1.00 20.10 H new ATOM 0 HG2 GLU A 396 27.939 4.614 1.855 1.00 51.42 H new ATOM 0 HG3 GLU A 396 27.653 2.894 1.683 1.00 51.42 H new ATOM 653 N GLY A 397 25.102 4.958 4.011 1.00 15.21 N ATOM 654 CA GLY A 397 25.223 5.936 5.066 1.00 3.54 C ATOM 655 C GLY A 397 24.304 7.126 4.851 1.00 22.45 C ATOM 656 O GLY A 397 23.077 7.016 4.994 1.00 15.12 O ATOM 0 H GLY A 397 24.777 4.042 4.320 1.00 15.21 H new ATOM 0 HA2 GLY A 397 24.991 5.467 6.022 1.00 3.54 H new ATOM 0 HA3 GLY A 397 26.255 6.281 5.123 1.00 3.54 H new ATOM 660 N ASN A 398 24.891 8.244 4.487 1.00 41.45 N ATOM 661 CA ASN A 398 24.153 9.484 4.255 1.00 62.33 C ATOM 662 C ASN A 398 24.078 9.769 2.740 1.00 41.35 C ATOM 663 O ASN A 398 23.529 10.773 2.289 1.00 24.44 O ATOM 664 CB ASN A 398 24.851 10.639 5.016 1.00 23.30 C ATOM 665 CG ASN A 398 24.086 11.956 5.002 1.00 64.03 C ATOM 666 OD1 ASN A 398 22.864 11.981 4.897 1.00 40.01 O ATOM 667 ND2 ASN A 398 24.792 13.049 5.154 1.00 21.51 N ATOM 0 H ASN A 398 25.897 8.328 4.341 1.00 41.45 H new ATOM 0 HA ASN A 398 23.133 9.392 4.628 1.00 62.33 H new ATOM 0 HB2 ASN A 398 25.006 10.334 6.051 1.00 23.30 H new ATOM 0 HB3 ASN A 398 25.837 10.801 4.580 1.00 23.30 H new ATOM 0 HD21 ASN A 398 24.327 13.956 5.188 1.00 21.51 H new ATOM 0 HD22 ASN A 398 25.807 12.993 5.238 1.00 21.51 H new ATOM 674 N VAL A 399 24.608 8.854 1.970 1.00 3.31 N ATOM 675 CA VAL A 399 24.652 8.967 0.526 1.00 70.35 C ATOM 676 C VAL A 399 23.665 7.970 -0.095 1.00 20.11 C ATOM 677 O VAL A 399 23.510 6.871 0.400 1.00 31.33 O ATOM 678 CB VAL A 399 26.087 8.658 0.013 1.00 5.33 C ATOM 679 CG1 VAL A 399 26.161 8.745 -1.483 1.00 3.20 C ATOM 680 CG2 VAL A 399 27.094 9.604 0.635 1.00 51.40 C ATOM 0 H VAL A 399 25.028 7.996 2.328 1.00 3.31 H new ATOM 0 HA VAL A 399 24.379 9.982 0.239 1.00 70.35 H new ATOM 0 HB VAL A 399 26.329 7.638 0.310 1.00 5.33 H new ATOM 0 HG11 VAL A 399 27.177 8.524 -1.811 1.00 3.20 H new ATOM 0 HG12 VAL A 399 25.472 8.024 -1.924 1.00 3.20 H new ATOM 0 HG13 VAL A 399 25.888 9.750 -1.803 1.00 3.20 H new ATOM 0 HG21 VAL A 399 28.091 9.370 0.262 1.00 51.40 H new ATOM 0 HG22 VAL A 399 26.840 10.631 0.372 1.00 51.40 H new ATOM 0 HG23 VAL A 399 27.076 9.493 1.719 1.00 51.40 H new ATOM 690 N LEU A 400 22.986 8.359 -1.150 1.00 54.12 N ATOM 691 CA LEU A 400 22.043 7.458 -1.811 1.00 3.05 C ATOM 692 C LEU A 400 22.414 7.261 -3.268 1.00 44.23 C ATOM 693 O LEU A 400 22.806 8.222 -3.953 1.00 11.50 O ATOM 694 CB LEU A 400 20.571 7.939 -1.704 1.00 23.43 C ATOM 695 CG LEU A 400 19.898 7.945 -0.306 1.00 31.12 C ATOM 696 CD1 LEU A 400 20.495 8.988 0.617 1.00 42.53 C ATOM 697 CD2 LEU A 400 18.397 8.138 -0.430 1.00 60.22 C ATOM 0 H LEU A 400 23.061 9.284 -1.573 1.00 54.12 H new ATOM 0 HA LEU A 400 22.113 6.506 -1.285 1.00 3.05 H new ATOM 0 HB2 LEU A 400 20.523 8.953 -2.100 1.00 23.43 H new ATOM 0 HB3 LEU A 400 19.968 7.312 -2.360 1.00 23.43 H new ATOM 0 HG LEU A 400 20.091 6.971 0.143 1.00 31.12 H new ATOM 0 HD11 LEU A 400 19.990 8.952 1.582 1.00 42.53 H new ATOM 0 HD12 LEU A 400 21.557 8.786 0.756 1.00 42.53 H new ATOM 0 HD13 LEU A 400 20.368 9.978 0.178 1.00 42.53 H new ATOM 0 HD21 LEU A 400 17.947 8.139 0.563 1.00 60.22 H new ATOM 0 HD22 LEU A 400 18.192 9.089 -0.922 1.00 60.22 H new ATOM 0 HD23 LEU A 400 17.973 7.325 -1.020 1.00 60.22 H new ATOM 709 N LYS A 401 22.306 6.025 -3.750 1.00 71.03 N ATOM 710 CA LYS A 401 22.611 5.731 -5.136 1.00 43.51 C ATOM 711 C LYS A 401 21.400 5.371 -5.956 1.00 54.10 C ATOM 712 O LYS A 401 20.577 4.519 -5.573 1.00 13.41 O ATOM 713 CB LYS A 401 23.696 4.667 -5.314 1.00 21.23 C ATOM 714 CG LYS A 401 24.996 5.223 -5.851 1.00 72.44 C ATOM 715 CD LYS A 401 24.774 5.895 -7.217 1.00 21.41 C ATOM 716 CE LYS A 401 24.388 4.906 -8.313 1.00 20.31 C ATOM 717 NZ LYS A 401 25.531 4.066 -8.705 1.00 2.33 N ATOM 0 H LYS A 401 22.011 5.219 -3.199 1.00 71.03 H new ATOM 0 HA LYS A 401 23.004 6.674 -5.517 1.00 43.51 H new ATOM 0 HB2 LYS A 401 23.884 4.185 -4.354 1.00 21.23 H new ATOM 0 HB3 LYS A 401 23.331 3.896 -5.992 1.00 21.23 H new ATOM 0 HG2 LYS A 401 25.407 5.946 -5.146 1.00 72.44 H new ATOM 0 HG3 LYS A 401 25.728 4.421 -5.949 1.00 72.44 H new ATOM 0 HD2 LYS A 401 23.991 6.648 -7.122 1.00 21.41 H new ATOM 0 HD3 LYS A 401 25.684 6.417 -7.511 1.00 21.41 H new ATOM 0 HE2 LYS A 401 23.572 4.273 -7.963 1.00 20.31 H new ATOM 0 HE3 LYS A 401 24.019 5.450 -9.183 1.00 20.31 H new ATOM 0 HZ1 LYS A 401 25.185 3.150 -9.055 1.00 2.33 H new ATOM 0 HZ2 LYS A 401 26.070 4.542 -9.456 1.00 2.33 H new ATOM 0 HZ3 LYS A 401 26.147 3.912 -7.881 1.00 2.33 H new ATOM 731 N TYR A 402 21.292 6.030 -7.086 1.00 41.40 N ATOM 732 CA TYR A 402 20.267 5.795 -8.026 1.00 23.01 C ATOM 733 C TYR A 402 20.944 5.352 -9.321 1.00 4.10 C ATOM 734 O TYR A 402 21.647 6.126 -9.918 1.00 21.41 O ATOM 735 CB TYR A 402 19.479 7.101 -8.232 1.00 71.42 C ATOM 736 CG TYR A 402 18.893 7.671 -6.950 1.00 34.24 C ATOM 737 CD1 TYR A 402 19.624 8.544 -6.159 1.00 52.42 C ATOM 738 CD2 TYR A 402 17.626 7.325 -6.531 1.00 53.53 C ATOM 739 CE1 TYR A 402 19.102 9.049 -4.990 1.00 21.51 C ATOM 740 CE2 TYR A 402 17.096 7.833 -5.359 1.00 25.41 C ATOM 741 CZ TYR A 402 17.840 8.691 -4.596 1.00 74.05 C ATOM 742 OH TYR A 402 17.324 9.195 -3.426 1.00 21.02 O ATOM 0 H TYR A 402 21.944 6.762 -7.367 1.00 41.40 H new ATOM 0 HA TYR A 402 19.570 5.027 -7.692 1.00 23.01 H new ATOM 0 HB2 TYR A 402 20.137 7.844 -8.682 1.00 71.42 H new ATOM 0 HB3 TYR A 402 18.671 6.919 -8.941 1.00 71.42 H new ATOM 0 HD1 TYR A 402 20.619 8.832 -6.465 1.00 52.42 H new ATOM 0 HD2 TYR A 402 17.037 6.645 -7.129 1.00 53.53 H new ATOM 0 HE1 TYR A 402 19.686 9.726 -4.385 1.00 21.51 H new ATOM 0 HE2 TYR A 402 16.100 7.554 -5.048 1.00 25.41 H new ATOM 0 HH TYR A 402 17.867 9.955 -3.130 1.00 21.02 H new ATOM 752 N GLU A 403 20.739 4.122 -9.738 1.00 10.42 N ATOM 753 CA GLU A 403 21.418 3.587 -10.923 1.00 63.01 C ATOM 754 C GLU A 403 20.358 2.860 -11.767 1.00 54.22 C ATOM 755 O GLU A 403 19.242 2.679 -11.289 1.00 40.52 O ATOM 756 CB GLU A 403 22.518 2.617 -10.414 1.00 33.25 C ATOM 757 CG GLU A 403 23.771 2.445 -11.291 1.00 72.00 C ATOM 758 CD GLU A 403 23.592 1.690 -12.589 1.00 54.42 C ATOM 759 OE1 GLU A 403 23.260 2.309 -13.617 1.00 4.02 O ATOM 760 OE2 GLU A 403 23.822 0.467 -12.606 1.00 62.10 O ATOM 0 H GLU A 403 20.108 3.464 -9.281 1.00 10.42 H new ATOM 0 HA GLU A 403 21.884 4.356 -11.539 1.00 63.01 H new ATOM 0 HB2 GLU A 403 22.840 2.959 -9.430 1.00 33.25 H new ATOM 0 HB3 GLU A 403 22.065 1.635 -10.278 1.00 33.25 H new ATOM 0 HG2 GLU A 403 24.162 3.435 -11.524 1.00 72.00 H new ATOM 0 HG3 GLU A 403 24.532 1.933 -10.701 1.00 72.00 H new ATOM 767 N ASN A 404 20.696 2.483 -12.997 1.00 63.34 N ATOM 768 CA ASN A 404 19.787 1.761 -13.920 1.00 43.35 C ATOM 769 C ASN A 404 18.594 2.594 -14.332 1.00 10.32 C ATOM 770 O ASN A 404 17.514 2.058 -14.592 1.00 64.25 O ATOM 771 CB ASN A 404 19.327 0.384 -13.363 1.00 61.01 C ATOM 772 CG ASN A 404 20.446 -0.640 -13.276 1.00 1.24 C ATOM 773 OD1 ASN A 404 20.723 -1.362 -14.240 1.00 22.44 O ATOM 774 ND2 ASN A 404 21.066 -0.740 -12.143 1.00 71.32 N ATOM 0 H ASN A 404 21.616 2.666 -13.397 1.00 63.34 H new ATOM 0 HA ASN A 404 20.382 1.569 -14.813 1.00 43.35 H new ATOM 0 HB2 ASN A 404 18.899 0.527 -12.371 1.00 61.01 H new ATOM 0 HB3 ASN A 404 18.534 -0.010 -13.999 1.00 61.01 H new ATOM 0 HD21 ASN A 404 21.808 -1.430 -12.027 1.00 71.32 H new ATOM 0 HD22 ASN A 404 20.812 -0.128 -11.367 1.00 71.32 H new ATOM 781 N GLY A 405 18.802 3.890 -14.469 1.00 73.21 N ATOM 782 CA GLY A 405 17.726 4.763 -14.873 1.00 0.22 C ATOM 783 C GLY A 405 17.496 4.747 -16.378 1.00 34.21 C ATOM 784 O GLY A 405 17.520 3.681 -17.021 1.00 31.30 O ATOM 0 H GLY A 405 19.696 4.353 -14.308 1.00 73.21 H new ATOM 0 HA2 GLY A 405 16.809 4.463 -14.365 1.00 0.22 H new ATOM 0 HA3 GLY A 405 17.949 5.781 -14.554 1.00 0.22 H new ATOM 788 N GLN A 406 17.318 5.909 -16.940 1.00 24.25 N ATOM 789 CA GLN A 406 17.026 6.055 -18.347 1.00 2.23 C ATOM 790 C GLN A 406 18.341 5.956 -19.126 1.00 63.51 C ATOM 791 O GLN A 406 19.398 6.343 -18.615 1.00 21.24 O ATOM 792 CB GLN A 406 16.255 7.394 -18.540 1.00 1.21 C ATOM 793 CG GLN A 406 15.634 7.698 -19.897 1.00 73.02 C ATOM 794 CD GLN A 406 16.614 8.094 -20.986 1.00 30.32 C ATOM 795 OE1 GLN A 406 16.399 7.821 -22.153 1.00 2.55 O ATOM 796 NE2 GLN A 406 17.654 8.792 -20.622 1.00 74.23 N ATOM 0 H GLN A 406 17.371 6.793 -16.434 1.00 24.25 H new ATOM 0 HA GLN A 406 16.383 5.265 -18.735 1.00 2.23 H new ATOM 0 HB2 GLN A 406 15.457 7.424 -17.798 1.00 1.21 H new ATOM 0 HB3 GLN A 406 16.942 8.207 -18.303 1.00 1.21 H new ATOM 0 HG2 GLN A 406 15.082 6.819 -20.230 1.00 73.02 H new ATOM 0 HG3 GLN A 406 14.909 8.502 -19.774 1.00 73.02 H new ATOM 0 HE21 GLN A 406 17.806 9.004 -19.636 1.00 74.23 H new ATOM 0 HE22 GLN A 406 18.315 9.126 -21.323 1.00 74.23 H new ATOM 805 N SER A 407 18.270 5.386 -20.306 1.00 22.42 N ATOM 806 CA SER A 407 19.418 5.104 -21.159 1.00 4.24 C ATOM 807 C SER A 407 20.349 6.323 -21.364 1.00 31.23 C ATOM 808 O SER A 407 19.914 7.469 -21.432 1.00 62.45 O ATOM 809 CB SER A 407 18.894 4.621 -22.502 1.00 75.21 C ATOM 810 OG SER A 407 17.972 3.557 -22.308 1.00 11.51 O ATOM 0 H SER A 407 17.385 5.093 -20.719 1.00 22.42 H new ATOM 0 HA SER A 407 20.025 4.345 -20.666 1.00 4.24 H new ATOM 0 HB2 SER A 407 18.409 5.442 -23.029 1.00 75.21 H new ATOM 0 HB3 SER A 407 19.723 4.286 -23.126 1.00 75.21 H new ATOM 0 HG SER A 407 17.637 3.252 -23.177 1.00 11.51 H new ATOM 816 N CYS A 408 21.629 6.069 -21.425 1.00 4.13 N ATOM 817 CA CYS A 408 22.559 7.126 -21.698 1.00 24.52 C ATOM 818 C CYS A 408 22.750 7.246 -23.213 1.00 43.31 C ATOM 819 O CYS A 408 22.871 8.344 -23.754 1.00 64.44 O ATOM 820 CB CYS A 408 23.880 6.907 -20.948 1.00 22.23 C ATOM 821 SG CYS A 408 25.145 8.186 -21.260 1.00 13.21 S ATOM 0 H CYS A 408 22.046 5.148 -21.291 1.00 4.13 H new ATOM 0 HA CYS A 408 22.161 8.072 -21.332 1.00 24.52 H new ATOM 0 HB2 CYS A 408 23.675 6.870 -19.878 1.00 22.23 H new ATOM 0 HB3 CYS A 408 24.286 5.935 -21.229 1.00 22.23 H new ATOM 889 N ARG A 414 21.800 5.839 -17.291 1.00 32.23 N ATOM 890 CA ARG A 414 22.298 6.922 -16.487 1.00 62.25 C ATOM 891 C ARG A 414 22.220 6.537 -15.014 1.00 61.14 C ATOM 892 O ARG A 414 21.578 5.526 -14.649 1.00 24.54 O ATOM 893 CB ARG A 414 21.507 8.202 -16.765 1.00 45.52 C ATOM 894 CG ARG A 414 21.596 8.643 -18.203 1.00 1.25 C ATOM 895 CD ARG A 414 20.722 9.838 -18.496 1.00 42.44 C ATOM 896 NE ARG A 414 20.735 10.155 -19.933 1.00 53.53 N ATOM 897 CZ ARG A 414 20.580 11.375 -20.458 1.00 32.25 C ATOM 898 NH1 ARG A 414 20.373 12.420 -19.673 1.00 40.14 N ATOM 899 NH2 ARG A 414 20.621 11.537 -21.770 1.00 44.21 N ATOM 0 HA ARG A 414 23.340 7.115 -16.744 1.00 62.25 H new ATOM 0 HB2 ARG A 414 20.461 8.041 -16.503 1.00 45.52 H new ATOM 0 HB3 ARG A 414 21.878 9.000 -16.121 1.00 45.52 H new ATOM 0 HG2 ARG A 414 22.631 8.887 -18.441 1.00 1.25 H new ATOM 0 HG3 ARG A 414 21.306 7.817 -18.852 1.00 1.25 H new ATOM 0 HD2 ARG A 414 19.701 9.635 -18.173 1.00 42.44 H new ATOM 0 HD3 ARG A 414 21.072 10.699 -17.926 1.00 42.44 H new ATOM 0 HE ARG A 414 20.874 9.380 -20.582 1.00 53.53 H new ATOM 0 HH11 ARG A 414 20.331 12.297 -18.661 1.00 40.14 H new ATOM 0 HH12 ARG A 414 20.256 13.348 -20.080 1.00 40.14 H new ATOM 0 HH21 ARG A 414 20.771 10.732 -22.379 1.00 44.21 H new ATOM 0 HH22 ARG A 414 20.503 12.467 -22.173 1.00 44.21 H new ATOM 913 N SER A 415 22.854 7.314 -14.193 1.00 10.10 N ATOM 914 CA SER A 415 22.918 7.067 -12.795 1.00 72.43 C ATOM 915 C SER A 415 23.048 8.409 -12.067 1.00 62.41 C ATOM 916 O SER A 415 23.376 9.432 -12.687 1.00 32.12 O ATOM 917 CB SER A 415 24.130 6.155 -12.544 1.00 12.30 C ATOM 918 OG SER A 415 24.264 5.800 -11.193 1.00 35.13 O ATOM 0 H SER A 415 23.351 8.155 -14.487 1.00 10.10 H new ATOM 0 HA SER A 415 22.021 6.573 -12.421 1.00 72.43 H new ATOM 0 HB2 SER A 415 24.032 5.252 -13.146 1.00 12.30 H new ATOM 0 HB3 SER A 415 25.037 6.661 -12.875 1.00 12.30 H new ATOM 0 HG SER A 415 25.070 6.218 -10.823 1.00 35.13 H new ATOM 924 N ALA A 416 22.770 8.413 -10.790 1.00 35.24 N ATOM 925 CA ALA A 416 22.830 9.601 -9.986 1.00 14.33 C ATOM 926 C ALA A 416 23.282 9.250 -8.586 1.00 32.12 C ATOM 927 O ALA A 416 22.762 8.310 -7.968 1.00 40.23 O ATOM 928 CB ALA A 416 21.473 10.285 -9.948 1.00 34.02 C ATOM 0 H ALA A 416 22.492 7.578 -10.274 1.00 35.24 H new ATOM 0 HA ALA A 416 23.549 10.291 -10.428 1.00 14.33 H new ATOM 0 HB1 ALA A 416 21.536 11.184 -9.334 1.00 34.02 H new ATOM 0 HB2 ALA A 416 21.174 10.557 -10.960 1.00 34.02 H new ATOM 0 HB3 ALA A 416 20.735 9.606 -9.522 1.00 34.02 H new ATOM 934 N ILE A 417 24.235 9.984 -8.098 1.00 72.42 N ATOM 935 CA ILE A 417 24.791 9.769 -6.780 1.00 61.41 C ATOM 936 C ILE A 417 24.504 10.999 -5.902 1.00 11.12 C ATOM 937 O ILE A 417 24.988 12.101 -6.174 1.00 3.23 O ATOM 938 CB ILE A 417 26.335 9.474 -6.873 1.00 1.21 C ATOM 939 CG1 ILE A 417 26.985 9.303 -5.503 1.00 64.31 C ATOM 940 CG2 ILE A 417 27.061 10.516 -7.670 1.00 75.11 C ATOM 941 CD1 ILE A 417 26.528 8.090 -4.767 1.00 53.24 C ATOM 0 H ILE A 417 24.660 10.761 -8.604 1.00 72.42 H new ATOM 0 HA ILE A 417 24.322 8.898 -6.323 1.00 61.41 H new ATOM 0 HB ILE A 417 26.422 8.523 -7.398 1.00 1.21 H new ATOM 0 HG12 ILE A 417 28.067 9.255 -5.628 1.00 64.31 H new ATOM 0 HG13 ILE A 417 26.773 10.185 -4.898 1.00 64.31 H new ATOM 0 HG21 ILE A 417 28.123 10.271 -7.707 1.00 75.11 H new ATOM 0 HG22 ILE A 417 26.659 10.545 -8.683 1.00 75.11 H new ATOM 0 HG23 ILE A 417 26.930 11.491 -7.200 1.00 75.11 H new ATOM 0 HD11 ILE A 417 27.034 8.037 -3.803 1.00 53.24 H new ATOM 0 HD12 ILE A 417 25.451 8.145 -4.609 1.00 53.24 H new ATOM 0 HD13 ILE A 417 26.765 7.200 -5.350 1.00 53.24 H new ATOM 953 N VAL A 418 23.708 10.825 -4.874 1.00 21.03 N ATOM 954 CA VAL A 418 23.330 11.948 -4.035 1.00 35.10 C ATOM 955 C VAL A 418 24.265 12.084 -2.848 1.00 34.43 C ATOM 956 O VAL A 418 24.277 11.241 -1.951 1.00 51.10 O ATOM 957 CB VAL A 418 21.843 11.852 -3.573 1.00 24.12 C ATOM 958 CG1 VAL A 418 21.471 12.972 -2.615 1.00 45.12 C ATOM 959 CG2 VAL A 418 20.921 11.902 -4.762 1.00 61.11 C ATOM 0 H VAL A 418 23.310 9.928 -4.596 1.00 21.03 H new ATOM 0 HA VAL A 418 23.423 12.850 -4.641 1.00 35.10 H new ATOM 0 HB VAL A 418 21.733 10.901 -3.052 1.00 24.12 H new ATOM 0 HG11 VAL A 418 20.427 12.866 -2.319 1.00 45.12 H new ATOM 0 HG12 VAL A 418 22.106 12.920 -1.731 1.00 45.12 H new ATOM 0 HG13 VAL A 418 21.613 13.934 -3.107 1.00 45.12 H new ATOM 0 HG21 VAL A 418 19.887 11.834 -4.424 1.00 61.11 H new ATOM 0 HG22 VAL A 418 21.067 12.841 -5.296 1.00 61.11 H new ATOM 0 HG23 VAL A 418 21.141 11.068 -5.428 1.00 61.11 H new ATOM 969 N THR A 419 25.048 13.141 -2.867 1.00 71.55 N ATOM 970 CA THR A 419 25.979 13.444 -1.815 1.00 23.11 C ATOM 971 C THR A 419 25.335 14.486 -0.930 1.00 52.33 C ATOM 972 O THR A 419 25.011 15.583 -1.398 1.00 70.51 O ATOM 973 CB THR A 419 27.267 14.038 -2.415 1.00 33.24 C ATOM 974 OG1 THR A 419 27.718 13.174 -3.478 1.00 61.13 O ATOM 975 CG2 THR A 419 28.362 14.129 -1.354 1.00 4.30 C ATOM 0 H THR A 419 25.052 13.821 -3.627 1.00 71.55 H new ATOM 0 HA THR A 419 26.227 12.542 -1.256 1.00 23.11 H new ATOM 0 HB THR A 419 27.058 15.040 -2.791 1.00 33.24 H new ATOM 0 HG1 THR A 419 28.537 13.540 -3.872 1.00 61.13 H new ATOM 0 HG21 THR A 419 29.264 14.551 -1.797 1.00 4.30 H new ATOM 0 HG22 THR A 419 28.026 14.768 -0.538 1.00 4.30 H new ATOM 0 HG23 THR A 419 28.579 13.133 -0.969 1.00 4.30 H new ATOM 983 N VAL A 420 25.112 14.160 0.312 1.00 43.42 N ATOM 984 CA VAL A 420 24.463 15.093 1.176 1.00 30.24 C ATOM 985 C VAL A 420 25.380 15.416 2.339 1.00 4.32 C ATOM 986 O VAL A 420 25.950 14.528 2.943 1.00 21.31 O ATOM 987 CB VAL A 420 23.117 14.547 1.717 1.00 13.24 C ATOM 988 CG1 VAL A 420 22.298 15.663 2.316 1.00 3.35 C ATOM 989 CG2 VAL A 420 22.330 13.821 0.650 1.00 63.52 C ATOM 0 H VAL A 420 25.367 13.270 0.740 1.00 43.42 H new ATOM 0 HA VAL A 420 24.246 15.991 0.597 1.00 30.24 H new ATOM 0 HB VAL A 420 23.348 13.822 2.497 1.00 13.24 H new ATOM 0 HG11 VAL A 420 21.356 15.262 2.691 1.00 3.35 H new ATOM 0 HG12 VAL A 420 22.851 16.120 3.137 1.00 3.35 H new ATOM 0 HG13 VAL A 420 22.094 16.415 1.553 1.00 3.35 H new ATOM 0 HG21 VAL A 420 21.394 13.455 1.073 1.00 63.52 H new ATOM 0 HG22 VAL A 420 22.114 14.504 -0.171 1.00 63.52 H new ATOM 0 HG23 VAL A 420 22.913 12.979 0.277 1.00 63.52 H new ATOM 999 N GLU A 421 25.521 16.674 2.627 1.00 22.41 N ATOM 1000 CA GLU A 421 26.382 17.141 3.721 1.00 73.21 C ATOM 1001 C GLU A 421 25.541 17.631 4.897 1.00 74.41 C ATOM 1002 O GLU A 421 26.067 18.115 5.903 1.00 52.15 O ATOM 1003 CB GLU A 421 27.232 18.276 3.200 1.00 13.15 C ATOM 1004 CG GLU A 421 26.393 19.375 2.592 1.00 52.21 C ATOM 1005 CD GLU A 421 27.196 20.459 2.000 1.00 72.14 C ATOM 1006 OE1 GLU A 421 27.867 20.210 0.997 1.00 12.25 O ATOM 1007 OE2 GLU A 421 27.166 21.581 2.524 1.00 31.24 O ATOM 0 H GLU A 421 25.050 17.424 2.121 1.00 22.41 H new ATOM 0 HA GLU A 421 27.008 16.319 4.069 1.00 73.21 H new ATOM 0 HB2 GLU A 421 27.831 18.685 4.014 1.00 13.15 H new ATOM 0 HB3 GLU A 421 27.928 17.895 2.453 1.00 13.15 H new ATOM 0 HG2 GLU A 421 25.748 18.948 1.824 1.00 52.21 H new ATOM 0 HG3 GLU A 421 25.741 19.792 3.359 1.00 52.21 H new ATOM 1014 N CYS A 422 24.235 17.501 4.740 1.00 72.34 N ATOM 1015 CA CYS A 422 23.236 17.924 5.726 1.00 23.02 C ATOM 1016 C CYS A 422 23.132 19.464 5.823 1.00 64.23 C ATOM 1017 O CYS A 422 24.089 20.196 5.542 1.00 42.22 O ATOM 1018 CB CYS A 422 23.444 17.257 7.109 1.00 4.40 C ATOM 1019 SG CYS A 422 22.149 17.657 8.332 1.00 34.40 S ATOM 0 H CYS A 422 23.822 17.088 3.904 1.00 72.34 H new ATOM 0 HA CYS A 422 22.272 17.568 5.362 1.00 23.02 H new ATOM 0 HB2 CYS A 422 23.482 16.176 6.977 1.00 4.40 H new ATOM 0 HB3 CYS A 422 24.411 17.564 7.507 1.00 4.40 H new ATOM 0 HG CYS A 422 21.002 17.765 7.730 1.00 34.40 H new ATOM 1024 N GLY A 423 21.957 19.936 6.173 1.00 41.55 N ATOM 1025 CA GLY A 423 21.697 21.354 6.254 1.00 11.43 C ATOM 1026 C GLY A 423 20.423 21.635 7.015 1.00 14.43 C ATOM 1027 O GLY A 423 20.010 20.826 7.848 1.00 70.32 O ATOM 0 H GLY A 423 21.157 19.349 6.409 1.00 41.55 H new ATOM 0 HA2 GLY A 423 22.534 21.852 6.744 1.00 11.43 H new ATOM 0 HA3 GLY A 423 21.623 21.770 5.249 1.00 11.43 H new ATOM 1031 N VAL A 424 19.792 22.756 6.728 1.00 24.22 N ATOM 1032 CA VAL A 424 18.563 23.153 7.427 1.00 42.25 C ATOM 1033 C VAL A 424 17.318 22.806 6.591 1.00 14.43 C ATOM 1034 O VAL A 424 16.264 22.456 7.126 1.00 45.42 O ATOM 1035 CB VAL A 424 18.570 24.675 7.756 1.00 21.42 C ATOM 1036 CG1 VAL A 424 17.327 25.083 8.539 1.00 0.31 C ATOM 1037 CG2 VAL A 424 19.825 25.051 8.526 1.00 62.30 C ATOM 0 H VAL A 424 20.102 23.417 6.016 1.00 24.22 H new ATOM 0 HA VAL A 424 18.525 22.595 8.363 1.00 42.25 H new ATOM 0 HB VAL A 424 18.563 25.216 6.810 1.00 21.42 H new ATOM 0 HG11 VAL A 424 17.365 26.151 8.751 1.00 0.31 H new ATOM 0 HG12 VAL A 424 16.437 24.862 7.950 1.00 0.31 H new ATOM 0 HG13 VAL A 424 17.289 24.528 9.476 1.00 0.31 H new ATOM 0 HG21 VAL A 424 19.811 26.118 8.746 1.00 62.30 H new ATOM 0 HG22 VAL A 424 19.862 24.489 9.459 1.00 62.30 H new ATOM 0 HG23 VAL A 424 20.704 24.816 7.926 1.00 62.30 H new ATOM 1047 N GLU A 425 17.461 22.880 5.295 1.00 54.03 N ATOM 1048 CA GLU A 425 16.380 22.605 4.374 1.00 3.23 C ATOM 1049 C GLU A 425 16.916 21.817 3.206 1.00 64.31 C ATOM 1050 O GLU A 425 18.134 21.789 2.992 1.00 55.44 O ATOM 1051 CB GLU A 425 15.737 23.897 3.869 1.00 2.31 C ATOM 1052 CG GLU A 425 16.689 24.824 3.131 1.00 53.14 C ATOM 1053 CD GLU A 425 15.998 26.038 2.584 1.00 25.40 C ATOM 1054 OE1 GLU A 425 15.799 27.004 3.332 1.00 35.52 O ATOM 1055 OE2 GLU A 425 15.639 26.047 1.384 1.00 32.23 O ATOM 0 H GLU A 425 18.338 23.135 4.840 1.00 54.03 H new ATOM 0 HA GLU A 425 15.616 22.031 4.899 1.00 3.23 H new ATOM 0 HB2 GLU A 425 14.910 23.642 3.206 1.00 2.31 H new ATOM 0 HB3 GLU A 425 15.312 24.433 4.718 1.00 2.31 H new ATOM 0 HG2 GLU A 425 17.485 25.136 3.807 1.00 53.14 H new ATOM 0 HG3 GLU A 425 17.161 24.279 2.314 1.00 53.14 H new ATOM 1062 N ASN A 426 16.034 21.163 2.480 1.00 71.12 N ATOM 1063 CA ASN A 426 16.423 20.403 1.298 1.00 10.12 C ATOM 1064 C ASN A 426 16.711 21.317 0.154 1.00 5.21 C ATOM 1065 O ASN A 426 15.816 22.032 -0.330 1.00 53.42 O ATOM 1066 CB ASN A 426 15.355 19.402 0.871 1.00 12.05 C ATOM 1067 CG ASN A 426 15.230 18.224 1.784 1.00 72.01 C ATOM 1068 OD1 ASN A 426 15.899 17.221 1.602 1.00 44.34 O ATOM 1069 ND2 ASN A 426 14.382 18.321 2.765 1.00 21.13 N ATOM 0 H ASN A 426 15.035 21.139 2.685 1.00 71.12 H new ATOM 0 HA ASN A 426 17.321 19.849 1.572 1.00 10.12 H new ATOM 0 HB2 ASN A 426 14.393 19.912 0.818 1.00 12.05 H new ATOM 0 HB3 ASN A 426 15.584 19.048 -0.134 1.00 12.05 H new ATOM 0 HD21 ASN A 426 14.260 17.542 3.413 1.00 21.13 H new ATOM 0 HD22 ASN A 426 13.839 19.176 2.887 1.00 21.13 H new ATOM 1076 N GLU A 427 17.936 21.309 -0.287 1.00 42.10 N ATOM 1077 CA GLU A 427 18.349 22.127 -1.381 1.00 33.30 C ATOM 1078 C GLU A 427 19.420 21.435 -2.206 1.00 1.42 C ATOM 1079 O GLU A 427 20.371 20.836 -1.660 1.00 31.22 O ATOM 1080 CB GLU A 427 18.848 23.482 -0.878 1.00 62.32 C ATOM 1081 CG GLU A 427 19.958 23.383 0.148 1.00 74.15 C ATOM 1082 CD GLU A 427 20.461 24.719 0.574 1.00 10.32 C ATOM 1083 OE1 GLU A 427 19.899 25.311 1.522 1.00 22.32 O ATOM 1084 OE2 GLU A 427 21.436 25.196 -0.015 1.00 42.52 O ATOM 0 H GLU A 427 18.677 20.730 0.107 1.00 42.10 H new ATOM 0 HA GLU A 427 17.485 22.293 -2.024 1.00 33.30 H new ATOM 0 HB2 GLU A 427 19.202 24.066 -1.727 1.00 62.32 H new ATOM 0 HB3 GLU A 427 18.011 24.028 -0.442 1.00 62.32 H new ATOM 0 HG2 GLU A 427 19.595 22.840 1.020 1.00 74.15 H new ATOM 0 HG3 GLU A 427 20.782 22.804 -0.268 1.00 74.15 H new ATOM 1091 N ILE A 428 19.237 21.463 -3.500 1.00 51.51 N ATOM 1092 CA ILE A 428 20.231 20.965 -4.416 1.00 30.33 C ATOM 1093 C ILE A 428 21.149 22.117 -4.757 1.00 13.31 C ATOM 1094 O ILE A 428 20.688 23.176 -5.165 1.00 22.33 O ATOM 1095 CB ILE A 428 19.588 20.447 -5.716 1.00 3.24 C ATOM 1096 CG1 ILE A 428 18.511 19.419 -5.399 1.00 1.23 C ATOM 1097 CG2 ILE A 428 20.651 19.845 -6.643 1.00 14.44 C ATOM 1098 CD1 ILE A 428 17.736 18.947 -6.607 1.00 4.34 C ATOM 0 H ILE A 428 18.398 21.830 -3.948 1.00 51.51 H new ATOM 0 HA ILE A 428 20.768 20.138 -3.951 1.00 30.33 H new ATOM 0 HB ILE A 428 19.124 21.288 -6.231 1.00 3.24 H new ATOM 0 HG12 ILE A 428 18.976 18.558 -4.919 1.00 1.23 H new ATOM 0 HG13 ILE A 428 17.815 19.848 -4.679 1.00 1.23 H new ATOM 0 HG21 ILE A 428 20.176 19.485 -7.556 1.00 14.44 H new ATOM 0 HG22 ILE A 428 21.389 20.607 -6.894 1.00 14.44 H new ATOM 0 HG23 ILE A 428 21.145 19.014 -6.139 1.00 14.44 H new ATOM 0 HD11 ILE A 428 16.988 18.217 -6.297 1.00 4.34 H new ATOM 0 HD12 ILE A 428 17.240 19.797 -7.076 1.00 4.34 H new ATOM 0 HD13 ILE A 428 18.419 18.486 -7.320 1.00 4.34 H new ATOM 1110 N VAL A 429 22.423 21.921 -4.575 1.00 24.02 N ATOM 1111 CA VAL A 429 23.378 22.963 -4.839 1.00 71.41 C ATOM 1112 C VAL A 429 23.797 22.925 -6.306 1.00 1.33 C ATOM 1113 O VAL A 429 23.696 23.924 -7.023 1.00 25.30 O ATOM 1114 CB VAL A 429 24.625 22.819 -3.932 1.00 54.00 C ATOM 1115 CG1 VAL A 429 25.613 23.943 -4.186 1.00 30.43 C ATOM 1116 CG2 VAL A 429 24.224 22.778 -2.460 1.00 61.31 C ATOM 0 H VAL A 429 22.828 21.046 -4.243 1.00 24.02 H new ATOM 0 HA VAL A 429 22.906 23.921 -4.621 1.00 71.41 H new ATOM 0 HB VAL A 429 25.113 21.876 -4.179 1.00 54.00 H new ATOM 0 HG11 VAL A 429 26.480 23.819 -3.537 1.00 30.43 H new ATOM 0 HG12 VAL A 429 25.933 23.918 -5.228 1.00 30.43 H new ATOM 0 HG13 VAL A 429 25.136 24.901 -3.976 1.00 30.43 H new ATOM 0 HG21 VAL A 429 25.116 22.676 -1.842 1.00 61.31 H new ATOM 0 HG22 VAL A 429 23.705 23.700 -2.199 1.00 61.31 H new ATOM 0 HG23 VAL A 429 23.564 21.928 -2.286 1.00 61.31 H new ATOM 1126 N SER A 430 24.270 21.775 -6.743 1.00 22.24 N ATOM 1127 CA SER A 430 24.707 21.567 -8.111 1.00 63.22 C ATOM 1128 C SER A 430 24.718 20.079 -8.425 1.00 25.40 C ATOM 1129 O SER A 430 24.675 19.247 -7.511 1.00 1.03 O ATOM 1130 CB SER A 430 26.119 22.153 -8.336 1.00 44.14 C ATOM 1131 OG SER A 430 26.143 23.557 -8.119 1.00 2.03 O ATOM 0 H SER A 430 24.363 20.949 -6.152 1.00 22.24 H new ATOM 0 HA SER A 430 24.010 22.079 -8.775 1.00 63.22 H new ATOM 0 HB2 SER A 430 26.826 21.668 -7.663 1.00 44.14 H new ATOM 0 HB3 SER A 430 26.446 21.936 -9.353 1.00 44.14 H new ATOM 0 HG SER A 430 25.251 23.862 -7.852 1.00 2.03 H new ATOM 1137 N VAL A 431 24.749 19.756 -9.700 1.00 60.41 N ATOM 1138 CA VAL A 431 24.839 18.390 -10.175 1.00 30.15 C ATOM 1139 C VAL A 431 25.856 18.388 -11.300 1.00 41.05 C ATOM 1140 O VAL A 431 25.827 19.284 -12.142 1.00 52.45 O ATOM 1141 CB VAL A 431 23.483 17.863 -10.725 1.00 2.12 C ATOM 1142 CG1 VAL A 431 23.609 16.411 -11.137 1.00 22.12 C ATOM 1143 CG2 VAL A 431 22.362 18.033 -9.711 1.00 70.04 C ATOM 0 H VAL A 431 24.712 20.447 -10.450 1.00 60.41 H new ATOM 0 HA VAL A 431 25.123 17.740 -9.347 1.00 30.15 H new ATOM 0 HB VAL A 431 23.227 18.458 -11.602 1.00 2.12 H new ATOM 0 HG11 VAL A 431 22.652 16.057 -11.520 1.00 22.12 H new ATOM 0 HG12 VAL A 431 24.367 16.318 -11.914 1.00 22.12 H new ATOM 0 HG13 VAL A 431 23.899 15.812 -10.274 1.00 22.12 H new ATOM 0 HG21 VAL A 431 21.431 17.654 -10.131 1.00 70.04 H new ATOM 0 HG22 VAL A 431 22.604 17.478 -8.805 1.00 70.04 H new ATOM 0 HG23 VAL A 431 22.247 19.090 -9.469 1.00 70.04 H new ATOM 1153 N LEU A 432 26.771 17.449 -11.298 1.00 15.13 N ATOM 1154 CA LEU A 432 27.805 17.430 -12.313 1.00 31.22 C ATOM 1155 C LEU A 432 28.048 16.015 -12.844 1.00 22.35 C ATOM 1156 O LEU A 432 28.104 15.071 -12.071 1.00 22.41 O ATOM 1157 CB LEU A 432 29.102 17.985 -11.711 1.00 44.35 C ATOM 1158 CG LEU A 432 30.285 18.153 -12.661 1.00 41.34 C ATOM 1159 CD1 LEU A 432 29.978 19.197 -13.720 1.00 63.25 C ATOM 1160 CD2 LEU A 432 31.534 18.521 -11.890 1.00 62.50 C ATOM 0 H LEU A 432 26.824 16.694 -10.614 1.00 15.13 H new ATOM 0 HA LEU A 432 27.479 18.047 -13.150 1.00 31.22 H new ATOM 0 HB2 LEU A 432 28.882 18.956 -11.267 1.00 44.35 H new ATOM 0 HB3 LEU A 432 29.409 17.326 -10.899 1.00 44.35 H new ATOM 0 HG LEU A 432 30.461 17.202 -13.164 1.00 41.34 H new ATOM 0 HD11 LEU A 432 30.834 19.301 -14.387 1.00 63.25 H new ATOM 0 HD12 LEU A 432 29.106 18.886 -14.295 1.00 63.25 H new ATOM 0 HD13 LEU A 432 29.774 20.154 -13.239 1.00 63.25 H new ATOM 0 HD21 LEU A 432 32.368 18.637 -12.582 1.00 62.50 H new ATOM 0 HD22 LEU A 432 31.371 19.458 -11.358 1.00 62.50 H new ATOM 0 HD23 LEU A 432 31.764 17.733 -11.173 1.00 62.50 H new ATOM 1172 N GLU A 433 28.167 15.874 -14.147 1.00 72.31 N ATOM 1173 CA GLU A 433 28.570 14.599 -14.737 1.00 75.11 C ATOM 1174 C GLU A 433 30.073 14.523 -14.687 1.00 43.11 C ATOM 1175 O GLU A 433 30.747 15.540 -14.924 1.00 22.33 O ATOM 1176 CB GLU A 433 28.134 14.506 -16.192 1.00 61.42 C ATOM 1177 CG GLU A 433 28.649 13.258 -16.913 1.00 12.11 C ATOM 1178 CD GLU A 433 28.115 11.989 -16.352 1.00 31.21 C ATOM 1179 OE1 GLU A 433 26.940 11.720 -16.570 1.00 21.32 O ATOM 1180 OE2 GLU A 433 28.901 11.211 -15.710 1.00 22.40 O ATOM 0 H GLU A 433 27.993 16.619 -14.822 1.00 72.31 H new ATOM 0 HA GLU A 433 28.104 13.785 -14.182 1.00 75.11 H new ATOM 0 HB2 GLU A 433 27.045 14.516 -16.237 1.00 61.42 H new ATOM 0 HB3 GLU A 433 28.483 15.391 -16.723 1.00 61.42 H new ATOM 0 HG2 GLU A 433 28.382 13.321 -17.968 1.00 12.11 H new ATOM 0 HG3 GLU A 433 29.738 13.240 -16.860 1.00 12.11 H new ATOM 1187 N ALA A 434 30.616 13.360 -14.388 1.00 21.53 N ATOM 1188 CA ALA A 434 32.048 13.233 -14.331 1.00 64.12 C ATOM 1189 C ALA A 434 32.492 11.800 -14.403 1.00 1.52 C ATOM 1190 O ALA A 434 33.696 11.520 -14.447 1.00 54.15 O ATOM 1191 CB ALA A 434 32.586 13.858 -13.056 1.00 65.41 C ATOM 0 H ALA A 434 30.094 12.507 -14.185 1.00 21.53 H new ATOM 0 HA ALA A 434 32.447 13.757 -15.199 1.00 64.12 H new ATOM 0 HB1 ALA A 434 33.671 13.753 -13.029 1.00 65.41 H new ATOM 0 HB2 ALA A 434 32.323 14.915 -13.030 1.00 65.41 H new ATOM 0 HB3 ALA A 434 32.151 13.355 -12.192 1.00 65.41 H new ATOM 1197 N GLN A 435 31.567 10.875 -14.449 1.00 41.20 N ATOM 1198 CA GLN A 435 31.967 9.521 -14.351 1.00 2.21 C ATOM 1199 C GLN A 435 31.573 8.694 -15.580 1.00 70.34 C ATOM 1200 O GLN A 435 32.351 8.576 -16.532 1.00 42.11 O ATOM 1201 CB GLN A 435 31.462 8.918 -13.047 1.00 60.15 C ATOM 1202 CG GLN A 435 32.084 7.599 -12.745 1.00 13.20 C ATOM 1203 CD GLN A 435 31.583 6.963 -11.462 1.00 15.41 C ATOM 1204 OE1 GLN A 435 31.545 5.740 -11.346 1.00 2.20 O ATOM 1205 NE2 GLN A 435 31.217 7.771 -10.499 1.00 41.21 N ATOM 0 H GLN A 435 30.565 11.039 -14.551 1.00 41.20 H new ATOM 0 HA GLN A 435 33.057 9.494 -14.333 1.00 2.21 H new ATOM 0 HB2 GLN A 435 31.668 9.608 -12.229 1.00 60.15 H new ATOM 0 HB3 GLN A 435 30.380 8.801 -13.101 1.00 60.15 H new ATOM 0 HG2 GLN A 435 31.892 6.919 -13.575 1.00 13.20 H new ATOM 0 HG3 GLN A 435 33.165 7.724 -12.679 1.00 13.20 H new ATOM 0 HE21 GLN A 435 31.264 8.781 -10.635 1.00 41.21 H new ATOM 0 HE22 GLN A 435 30.885 7.391 -9.613 1.00 41.21 H new ATOM 1214 N LYS A 436 30.378 8.165 -15.579 1.00 64.24 N ATOM 1215 CA LYS A 436 29.887 7.343 -16.670 1.00 25.24 C ATOM 1216 C LYS A 436 28.395 7.452 -16.835 1.00 53.42 C ATOM 1217 O LYS A 436 27.648 6.512 -16.569 1.00 74.11 O ATOM 1218 CB LYS A 436 30.411 5.864 -16.632 1.00 15.01 C ATOM 1219 CG LYS A 436 30.451 5.156 -15.245 1.00 13.54 C ATOM 1220 CD LYS A 436 29.119 5.167 -14.518 1.00 23.33 C ATOM 1221 CE LYS A 436 29.195 4.511 -13.158 1.00 64.44 C ATOM 1222 NZ LYS A 436 29.585 3.085 -13.225 1.00 63.11 N ATOM 0 H LYS A 436 29.708 8.289 -14.820 1.00 64.24 H new ATOM 0 HA LYS A 436 30.323 7.757 -17.579 1.00 25.24 H new ATOM 0 HB2 LYS A 436 29.787 5.268 -17.297 1.00 15.01 H new ATOM 0 HB3 LYS A 436 31.419 5.853 -17.046 1.00 15.01 H new ATOM 0 HG2 LYS A 436 30.772 4.123 -15.383 1.00 13.54 H new ATOM 0 HG3 LYS A 436 31.200 5.642 -14.620 1.00 13.54 H new ATOM 0 HD2 LYS A 436 28.781 6.197 -14.402 1.00 23.33 H new ATOM 0 HD3 LYS A 436 28.374 4.653 -15.125 1.00 23.33 H new ATOM 0 HE2 LYS A 436 29.914 5.050 -12.540 1.00 64.44 H new ATOM 0 HE3 LYS A 436 28.226 4.594 -12.666 1.00 64.44 H new ATOM 0 HZ1 LYS A 436 29.489 2.654 -12.283 1.00 63.11 H new ATOM 0 HZ2 LYS A 436 28.967 2.587 -13.898 1.00 63.11 H new ATOM 0 HZ3 LYS A 436 30.573 3.010 -13.541 1.00 63.11 H new ATOM 1236 N CYS A 437 27.966 8.637 -17.230 1.00 55.44 N ATOM 1237 CA CYS A 437 26.551 8.961 -17.363 1.00 44.31 C ATOM 1238 C CYS A 437 25.946 8.965 -15.963 1.00 10.22 C ATOM 1239 O CYS A 437 24.755 8.705 -15.771 1.00 52.20 O ATOM 1240 CB CYS A 437 25.832 7.966 -18.288 1.00 43.43 C ATOM 1241 SG CYS A 437 26.623 7.784 -19.930 1.00 23.12 S ATOM 0 H CYS A 437 28.590 9.408 -17.470 1.00 55.44 H new ATOM 0 HA CYS A 437 26.431 9.941 -17.824 1.00 44.31 H new ATOM 0 HB2 CYS A 437 25.797 6.991 -17.801 1.00 43.43 H new ATOM 0 HB3 CYS A 437 24.801 8.291 -18.425 1.00 43.43 H new ATOM 1246 N GLU A 438 26.778 9.355 -14.997 1.00 14.12 N ATOM 1247 CA GLU A 438 26.394 9.360 -13.625 1.00 10.53 C ATOM 1248 C GLU A 438 26.571 10.741 -13.080 1.00 73.42 C ATOM 1249 O GLU A 438 27.681 11.290 -13.051 1.00 10.42 O ATOM 1250 CB GLU A 438 27.159 8.326 -12.787 1.00 20.34 C ATOM 1251 CG GLU A 438 26.699 8.303 -11.328 1.00 60.51 C ATOM 1252 CD GLU A 438 27.318 7.194 -10.503 1.00 55.52 C ATOM 1253 OE1 GLU A 438 26.737 6.074 -10.449 1.00 43.00 O ATOM 1254 OE2 GLU A 438 28.361 7.415 -9.897 1.00 61.14 O ATOM 0 H GLU A 438 27.733 9.673 -15.165 1.00 14.12 H new ATOM 0 HA GLU A 438 25.346 9.068 -13.563 1.00 10.53 H new ATOM 0 HB2 GLU A 438 27.024 7.336 -13.224 1.00 20.34 H new ATOM 0 HB3 GLU A 438 28.225 8.548 -12.826 1.00 20.34 H new ATOM 0 HG2 GLU A 438 26.939 9.261 -10.867 1.00 60.51 H new ATOM 0 HG3 GLU A 438 25.614 8.199 -11.302 1.00 60.51 H new ATOM 1261 N TYR A 439 25.502 11.281 -12.634 1.00 54.11 N ATOM 1262 CA TYR A 439 25.460 12.626 -12.204 1.00 1.43 C ATOM 1263 C TYR A 439 25.683 12.755 -10.711 1.00 75.23 C ATOM 1264 O TYR A 439 24.952 12.173 -9.890 1.00 71.40 O ATOM 1265 CB TYR A 439 24.143 13.252 -12.654 1.00 35.32 C ATOM 1266 CG TYR A 439 24.043 13.412 -14.158 1.00 2.01 C ATOM 1267 CD1 TYR A 439 23.649 12.352 -14.981 1.00 33.02 C ATOM 1268 CD2 TYR A 439 24.348 14.626 -14.757 1.00 72.31 C ATOM 1269 CE1 TYR A 439 23.564 12.514 -16.350 1.00 64.42 C ATOM 1270 CE2 TYR A 439 24.264 14.791 -16.122 1.00 22.01 C ATOM 1271 CZ TYR A 439 23.873 13.738 -16.915 1.00 34.44 C ATOM 1272 OH TYR A 439 23.787 13.911 -18.290 1.00 43.24 O ATOM 0 H TYR A 439 24.611 10.790 -12.556 1.00 54.11 H new ATOM 0 HA TYR A 439 26.282 13.173 -12.666 1.00 1.43 H new ATOM 0 HB2 TYR A 439 23.316 12.634 -12.305 1.00 35.32 H new ATOM 0 HB3 TYR A 439 24.032 14.229 -12.183 1.00 35.32 H new ATOM 0 HD1 TYR A 439 23.408 11.396 -14.541 1.00 33.02 H new ATOM 0 HD2 TYR A 439 24.657 15.458 -14.141 1.00 72.31 H new ATOM 0 HE1 TYR A 439 23.258 11.689 -16.976 1.00 64.42 H new ATOM 0 HE2 TYR A 439 24.505 15.745 -16.568 1.00 22.01 H new ATOM 0 HH TYR A 439 24.037 14.830 -18.520 1.00 43.24 H new ATOM 1282 N LEU A 440 26.714 13.505 -10.374 1.00 45.32 N ATOM 1283 CA LEU A 440 27.110 13.759 -9.010 1.00 12.01 C ATOM 1284 C LEU A 440 26.202 14.836 -8.441 1.00 3.23 C ATOM 1285 O LEU A 440 26.269 15.987 -8.867 1.00 13.12 O ATOM 1286 CB LEU A 440 28.565 14.273 -8.973 1.00 3.20 C ATOM 1287 CG LEU A 440 29.637 13.442 -9.711 1.00 40.31 C ATOM 1288 CD1 LEU A 440 30.988 14.114 -9.601 1.00 45.34 C ATOM 1289 CD2 LEU A 440 29.715 12.027 -9.183 1.00 50.44 C ATOM 0 H LEU A 440 27.312 13.964 -11.061 1.00 45.32 H new ATOM 0 HA LEU A 440 27.035 12.840 -8.429 1.00 12.01 H new ATOM 0 HB2 LEU A 440 28.576 15.280 -9.389 1.00 3.20 H new ATOM 0 HB3 LEU A 440 28.865 14.356 -7.928 1.00 3.20 H new ATOM 0 HG LEU A 440 29.345 13.388 -10.760 1.00 40.31 H new ATOM 0 HD11 LEU A 440 31.735 13.518 -10.126 1.00 45.34 H new ATOM 0 HD12 LEU A 440 30.938 15.107 -10.047 1.00 45.34 H new ATOM 0 HD13 LEU A 440 31.266 14.202 -8.551 1.00 45.34 H new ATOM 0 HD21 LEU A 440 30.481 11.477 -9.729 1.00 50.44 H new ATOM 0 HD22 LEU A 440 29.969 12.048 -8.123 1.00 50.44 H new ATOM 0 HD23 LEU A 440 28.751 11.536 -9.316 1.00 50.44 H new ATOM 1301 N ILE A 441 25.351 14.479 -7.515 1.00 51.34 N ATOM 1302 CA ILE A 441 24.430 15.435 -6.947 1.00 53.00 C ATOM 1303 C ILE A 441 24.991 15.941 -5.624 1.00 33.23 C ATOM 1304 O ILE A 441 25.393 15.151 -4.771 1.00 23.22 O ATOM 1305 CB ILE A 441 23.026 14.818 -6.723 1.00 34.02 C ATOM 1306 CG1 ILE A 441 22.594 14.054 -7.980 1.00 42.11 C ATOM 1307 CG2 ILE A 441 22.020 15.914 -6.392 1.00 63.31 C ATOM 1308 CD1 ILE A 441 21.186 13.524 -7.951 1.00 30.24 C ATOM 0 H ILE A 441 25.274 13.535 -7.137 1.00 51.34 H new ATOM 0 HA ILE A 441 24.316 16.261 -7.650 1.00 53.00 H new ATOM 0 HB ILE A 441 23.066 14.123 -5.884 1.00 34.02 H new ATOM 0 HG12 ILE A 441 22.700 14.713 -8.842 1.00 42.11 H new ATOM 0 HG13 ILE A 441 23.277 13.219 -8.132 1.00 42.11 H new ATOM 0 HG21 ILE A 441 21.037 15.470 -6.236 1.00 63.31 H new ATOM 0 HG22 ILE A 441 22.332 16.432 -5.485 1.00 63.31 H new ATOM 0 HG23 ILE A 441 21.971 16.624 -7.217 1.00 63.31 H new ATOM 0 HD11 ILE A 441 20.975 13.000 -8.883 1.00 30.24 H new ATOM 0 HD12 ILE A 441 21.074 12.835 -7.114 1.00 30.24 H new ATOM 0 HD13 ILE A 441 20.488 14.353 -7.835 1.00 30.24 H new ATOM 1320 N LYS A 442 25.035 17.240 -5.476 1.00 51.20 N ATOM 1321 CA LYS A 442 25.609 17.895 -4.310 1.00 31.33 C ATOM 1322 C LYS A 442 24.437 18.573 -3.558 1.00 34.23 C ATOM 1323 O LYS A 442 23.802 19.492 -4.108 1.00 14.52 O ATOM 1324 CB LYS A 442 26.604 18.936 -4.879 1.00 34.13 C ATOM 1325 CG LYS A 442 27.750 19.420 -3.991 1.00 51.32 C ATOM 1326 CD LYS A 442 27.326 20.239 -2.802 1.00 54.44 C ATOM 1327 CE LYS A 442 28.565 20.830 -2.138 1.00 53.45 C ATOM 1328 NZ LYS A 442 28.251 21.739 -1.024 1.00 64.14 N ATOM 0 H LYS A 442 24.669 17.891 -6.170 1.00 51.20 H new ATOM 0 HA LYS A 442 26.123 17.227 -3.619 1.00 31.33 H new ATOM 0 HB2 LYS A 442 27.043 18.514 -5.783 1.00 34.13 H new ATOM 0 HB3 LYS A 442 26.029 19.811 -5.182 1.00 34.13 H new ATOM 0 HG2 LYS A 442 28.307 18.553 -3.637 1.00 51.32 H new ATOM 0 HG3 LYS A 442 28.435 20.013 -4.597 1.00 51.32 H new ATOM 0 HD2 LYS A 442 26.651 21.035 -3.115 1.00 54.44 H new ATOM 0 HD3 LYS A 442 26.779 19.618 -2.093 1.00 54.44 H new ATOM 0 HE2 LYS A 442 29.193 20.019 -1.770 1.00 53.45 H new ATOM 0 HE3 LYS A 442 29.147 21.370 -2.885 1.00 53.45 H new ATOM 0 HZ1 LYS A 442 29.133 22.133 -0.638 1.00 64.14 H new ATOM 0 HZ2 LYS A 442 27.647 22.513 -1.367 1.00 64.14 H new ATOM 0 HZ3 LYS A 442 27.751 21.214 -0.278 1.00 64.14 H new ATOM 1342 N MET A 443 24.124 18.120 -2.331 1.00 31.11 N ATOM 1343 CA MET A 443 22.931 18.603 -1.619 1.00 14.02 C ATOM 1344 C MET A 443 23.152 18.723 -0.138 1.00 72.05 C ATOM 1345 O MET A 443 24.178 18.300 0.405 1.00 51.14 O ATOM 1346 CB MET A 443 21.746 17.628 -1.773 1.00 50.53 C ATOM 1347 CG MET A 443 21.228 17.407 -3.161 1.00 1.34 C ATOM 1348 SD MET A 443 19.811 16.291 -3.191 1.00 20.51 S ATOM 1349 CE MET A 443 18.645 17.168 -2.131 1.00 74.24 C ATOM 0 H MET A 443 24.673 17.430 -1.819 1.00 31.11 H new ATOM 0 HA MET A 443 22.721 19.576 -2.063 1.00 14.02 H new ATOM 0 HB2 MET A 443 22.045 16.663 -1.365 1.00 50.53 H new ATOM 0 HB3 MET A 443 20.924 17.993 -1.158 1.00 50.53 H new ATOM 0 HG2 MET A 443 20.943 18.364 -3.597 1.00 1.34 H new ATOM 0 HG3 MET A 443 22.024 16.997 -3.783 1.00 1.34 H new ATOM 0 HE1 MET A 443 17.627 16.889 -2.401 1.00 74.24 H new ATOM 0 HE2 MET A 443 18.830 16.903 -1.090 1.00 74.24 H new ATOM 0 HE3 MET A 443 18.773 18.243 -2.260 1.00 74.24 H new ATOM 1359 N LYS A 444 22.160 19.281 0.515 1.00 12.34 N ATOM 1360 CA LYS A 444 22.093 19.333 1.933 1.00 71.34 C ATOM 1361 C LYS A 444 20.650 19.366 2.399 1.00 71.14 C ATOM 1362 O LYS A 444 19.798 19.937 1.727 1.00 73.23 O ATOM 1363 CB LYS A 444 22.954 20.438 2.534 1.00 42.14 C ATOM 1364 CG LYS A 444 22.716 21.851 2.090 1.00 74.30 C ATOM 1365 CD LYS A 444 23.773 22.683 2.756 1.00 24.11 C ATOM 1366 CE LYS A 444 23.572 24.181 2.602 1.00 32.03 C ATOM 1367 NZ LYS A 444 23.699 24.655 1.204 1.00 65.20 N ATOM 0 H LYS A 444 21.364 19.719 0.051 1.00 12.34 H new ATOM 0 HA LYS A 444 22.533 18.413 2.318 1.00 71.34 H new ATOM 0 HB2 LYS A 444 22.828 20.405 3.616 1.00 42.14 H new ATOM 0 HB3 LYS A 444 23.996 20.196 2.326 1.00 42.14 H new ATOM 0 HG2 LYS A 444 22.781 21.934 1.005 1.00 74.30 H new ATOM 0 HG3 LYS A 444 21.719 22.186 2.376 1.00 74.30 H new ATOM 0 HD2 LYS A 444 23.798 22.438 3.818 1.00 24.11 H new ATOM 0 HD3 LYS A 444 24.745 22.414 2.344 1.00 24.11 H new ATOM 0 HE2 LYS A 444 22.585 24.447 2.979 1.00 32.03 H new ATOM 0 HE3 LYS A 444 24.301 24.703 3.222 1.00 32.03 H new ATOM 0 HZ1 LYS A 444 24.504 25.310 1.131 1.00 65.20 H new ATOM 0 HZ2 LYS A 444 23.856 23.842 0.575 1.00 65.20 H new ATOM 0 HZ3 LYS A 444 22.826 25.146 0.923 1.00 65.20 H new ATOM 1381 N SER A 445 20.381 18.692 3.509 1.00 74.32 N ATOM 1382 CA SER A 445 19.047 18.573 4.071 1.00 43.21 C ATOM 1383 C SER A 445 19.148 18.261 5.566 1.00 62.40 C ATOM 1384 O SER A 445 20.152 17.706 5.998 1.00 62.02 O ATOM 1385 CB SER A 445 18.318 17.436 3.362 1.00 53.20 C ATOM 1386 OG SER A 445 19.073 16.235 3.395 1.00 42.52 O ATOM 0 H SER A 445 21.096 18.206 4.051 1.00 74.32 H new ATOM 0 HA SER A 445 18.501 19.507 3.936 1.00 43.21 H new ATOM 0 HB2 SER A 445 17.350 17.272 3.835 1.00 53.20 H new ATOM 0 HB3 SER A 445 18.123 17.717 2.327 1.00 53.20 H new ATOM 0 HG SER A 445 18.579 15.525 2.934 1.00 42.52 H new ATOM 1392 N PRO A 446 18.137 18.622 6.380 1.00 64.41 N ATOM 1393 CA PRO A 446 18.140 18.330 7.831 1.00 0.42 C ATOM 1394 C PRO A 446 17.970 16.834 8.115 1.00 62.43 C ATOM 1395 O PRO A 446 18.480 16.310 9.110 1.00 43.04 O ATOM 1396 CB PRO A 446 16.922 19.104 8.349 1.00 52.35 C ATOM 1397 CG PRO A 446 16.023 19.213 7.166 1.00 35.34 C ATOM 1398 CD PRO A 446 16.932 19.377 5.982 1.00 72.05 C ATOM 0 HA PRO A 446 19.080 18.614 8.304 1.00 0.42 H new ATOM 0 HB2 PRO A 446 16.436 18.577 9.170 1.00 52.35 H new ATOM 0 HB3 PRO A 446 17.206 20.087 8.724 1.00 52.35 H new ATOM 0 HG2 PRO A 446 15.401 18.324 7.063 1.00 35.34 H new ATOM 0 HG3 PRO A 446 15.349 20.064 7.263 1.00 35.34 H new ATOM 0 HD2 PRO A 446 16.486 18.975 5.072 1.00 72.05 H new ATOM 0 HD3 PRO A 446 17.158 20.426 5.789 1.00 72.05 H new