USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 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 394 SER OG : rot -173:sc= 0.242 USER MOD Set 1.2: A 401 LYS NZ :NH3+ -124:sc= 0.107 (180deg=0.138) USER MOD Set 2.1: A 374 TYR OH : rot 180:sc= -0.285 USER MOD Set 2.2: A 384 GLN : amide:sc= -0.0128 K(o=-0.3,f=-5.9!) USER MOD Set 3.1: A 381 ASN : amide:sc= 0.644 K(o=-1,f=-3.4) USER MOD Set 3.2: A 391 ASN : amide:sc= -1.69! K(o=-1!,f=-3.4) USER MOD Set 4.1: A 365 THR OG1 : rot 33:sc= 0.207 USER MOD Set 4.2: A 443 MET CE :methyl 163:sc= -0.631 (180deg=-1.32) 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 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot -31:sc= 0.297 USER MOD Single : A 395 GLN : amide:sc= -0.576 K(o=-0.58,f=0) USER MOD Single : A 398 ASN : amide:sc= -0.861 K(o=-0.86,f=-4!) USER MOD Single : A 402 TYR OH : rot 0:sc= -1.7! USER MOD Single : A 404 ASN : amide:sc= -0.549 K(o=-0.55,f=0) USER MOD Single : A 406 GLN : amide:sc= -1.65! K(o=-1.7!,f=-0.57) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot -144:sc= 1.28 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 40:sc= 0.668 USER MOD Single : A 426 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.1!) USER MOD Single : A 430 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 435 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.26) USER MOD Single : A 436 LYS NZ :NH3+ 161:sc= -0.0726 (180deg=-0.441) USER MOD Single : A 439 TYR OH : rot 66:sc= 2.17 USER MOD Single : A 442 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0.911) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 365 12.979 17.567 -3.560 1.00 43.14 N ATOM 139 CA THR A 365 13.556 18.866 -3.771 1.00 4.20 C ATOM 140 C THR A 365 13.738 19.060 -5.272 1.00 43.11 C ATOM 141 O THR A 365 14.006 18.084 -5.997 1.00 42.24 O ATOM 142 CB THR A 365 14.910 18.996 -3.037 1.00 23.32 C ATOM 143 OG1 THR A 365 14.729 18.552 -1.691 1.00 34.40 O ATOM 144 CG2 THR A 365 15.361 20.456 -2.995 1.00 43.14 C ATOM 0 HA THR A 365 12.897 19.635 -3.368 1.00 4.20 H new ATOM 0 HB THR A 365 15.659 18.403 -3.561 1.00 23.32 H new ATOM 0 HG1 THR A 365 14.066 17.831 -1.671 1.00 34.40 H new ATOM 0 HG21 THR A 365 16.316 20.527 -2.474 1.00 43.14 H new ATOM 0 HG22 THR A 365 15.473 20.831 -4.012 1.00 43.14 H new ATOM 0 HG23 THR A 365 14.616 21.052 -2.469 1.00 43.14 H new ATOM 152 N LYS A 366 13.577 20.278 -5.746 1.00 42.42 N ATOM 153 CA LYS A 366 13.683 20.554 -7.152 1.00 22.44 C ATOM 154 C LYS A 366 14.587 21.702 -7.379 1.00 20.11 C ATOM 155 O LYS A 366 14.547 22.691 -6.634 1.00 61.33 O ATOM 156 CB LYS A 366 12.323 20.863 -7.791 1.00 0.40 C ATOM 157 CG LYS A 366 11.340 19.723 -7.767 1.00 60.14 C ATOM 158 CD LYS A 366 10.048 20.099 -8.473 1.00 43.23 C ATOM 159 CE LYS A 366 9.062 18.952 -8.453 1.00 4.32 C ATOM 160 NZ LYS A 366 7.803 19.279 -9.158 1.00 33.44 N ATOM 0 H LYS A 366 13.371 21.093 -5.169 1.00 42.42 H new ATOM 0 HA LYS A 366 14.083 19.654 -7.620 1.00 22.44 H new ATOM 0 HB2 LYS A 366 11.881 21.716 -7.276 1.00 0.40 H new ATOM 0 HB3 LYS A 366 12.484 21.164 -8.826 1.00 0.40 H new ATOM 0 HG2 LYS A 366 11.780 18.849 -8.248 1.00 60.14 H new ATOM 0 HG3 LYS A 366 11.126 19.445 -6.735 1.00 60.14 H new ATOM 0 HD2 LYS A 366 9.606 20.971 -7.990 1.00 43.23 H new ATOM 0 HD3 LYS A 366 10.262 20.380 -9.504 1.00 43.23 H new ATOM 0 HE2 LYS A 366 9.518 18.077 -8.916 1.00 4.32 H new ATOM 0 HE3 LYS A 366 8.838 18.686 -7.420 1.00 4.32 H new ATOM 0 HZ1 LYS A 366 7.160 18.463 -9.117 1.00 33.44 H new ATOM 0 HZ2 LYS A 366 7.352 20.098 -8.702 1.00 33.44 H new ATOM 0 HZ3 LYS A 366 8.010 19.507 -10.151 1.00 33.44 H new ATOM 174 N ARG A 367 15.415 21.587 -8.365 1.00 25.21 N ATOM 175 CA ARG A 367 16.249 22.660 -8.724 1.00 20.05 C ATOM 176 C ARG A 367 16.398 22.622 -10.221 1.00 24.30 C ATOM 177 O ARG A 367 16.524 21.546 -10.796 1.00 60.24 O ATOM 178 CB ARG A 367 17.609 22.517 -8.056 1.00 60.20 C ATOM 179 CG ARG A 367 18.393 23.800 -7.978 1.00 21.10 C ATOM 180 CD ARG A 367 17.698 24.743 -7.020 1.00 72.12 C ATOM 181 NE ARG A 367 18.346 26.051 -6.911 1.00 51.54 N ATOM 182 CZ ARG A 367 17.699 27.202 -6.651 1.00 52.23 C ATOM 183 NH1 ARG A 367 16.364 27.229 -6.579 1.00 3.33 N ATOM 184 NH2 ARG A 367 18.381 28.322 -6.487 1.00 64.42 N ATOM 0 H ARG A 367 15.524 20.748 -8.934 1.00 25.21 H new ATOM 0 HA ARG A 367 15.820 23.609 -8.401 1.00 20.05 H new ATOM 0 HB2 ARG A 367 17.468 22.128 -7.048 1.00 60.20 H new ATOM 0 HB3 ARG A 367 18.195 21.778 -8.603 1.00 60.20 H new ATOM 0 HG2 ARG A 367 19.410 23.600 -7.639 1.00 21.10 H new ATOM 0 HG3 ARG A 367 18.470 24.255 -8.965 1.00 21.10 H new ATOM 0 HD2 ARG A 367 16.667 24.884 -7.346 1.00 72.12 H new ATOM 0 HD3 ARG A 367 17.660 24.282 -6.033 1.00 72.12 H new ATOM 0 HE ARG A 367 19.357 26.093 -7.041 1.00 51.54 H new ATOM 0 HH11 ARG A 367 15.828 26.373 -6.722 1.00 3.33 H new ATOM 0 HH12 ARG A 367 15.882 28.106 -6.381 1.00 3.33 H new ATOM 0 HH21 ARG A 367 19.399 28.314 -6.557 1.00 64.42 H new ATOM 0 HH22 ARG A 367 17.890 29.194 -6.290 1.00 64.42 H new ATOM 198 N GLU A 368 16.372 23.748 -10.852 1.00 32.10 N ATOM 199 CA GLU A 368 16.511 23.783 -12.262 1.00 70.21 C ATOM 200 C GLU A 368 17.968 23.953 -12.612 1.00 44.33 C ATOM 201 O GLU A 368 18.568 25.001 -12.375 1.00 61.52 O ATOM 202 CB GLU A 368 15.604 24.868 -12.911 1.00 71.14 C ATOM 203 CG GLU A 368 15.733 26.314 -12.372 1.00 40.25 C ATOM 204 CD GLU A 368 15.239 26.488 -10.947 1.00 4.30 C ATOM 205 OE1 GLU A 368 14.045 26.766 -10.753 1.00 21.21 O ATOM 206 OE2 GLU A 368 16.045 26.336 -10.000 1.00 51.22 O ATOM 0 H GLU A 368 16.255 24.659 -10.407 1.00 32.10 H new ATOM 0 HA GLU A 368 16.167 22.836 -12.679 1.00 70.21 H new ATOM 0 HB2 GLU A 368 15.812 24.887 -13.981 1.00 71.14 H new ATOM 0 HB3 GLU A 368 14.566 24.555 -12.794 1.00 71.14 H new ATOM 0 HG2 GLU A 368 16.779 26.618 -12.423 1.00 40.25 H new ATOM 0 HG3 GLU A 368 15.174 26.985 -13.024 1.00 40.25 H new ATOM 213 N ILE A 369 18.544 22.905 -13.147 1.00 63.04 N ATOM 214 CA ILE A 369 19.953 22.882 -13.444 1.00 74.32 C ATOM 215 C ILE A 369 20.166 22.532 -14.915 1.00 22.14 C ATOM 216 O ILE A 369 19.630 21.546 -15.408 1.00 3.21 O ATOM 217 CB ILE A 369 20.638 21.832 -12.532 1.00 64.12 C ATOM 218 CG1 ILE A 369 20.311 22.155 -11.066 1.00 12.33 C ATOM 219 CG2 ILE A 369 22.148 21.820 -12.756 1.00 5.44 C ATOM 220 CD1 ILE A 369 20.641 21.064 -10.089 1.00 72.31 C ATOM 0 H ILE A 369 18.050 22.046 -13.388 1.00 63.04 H new ATOM 0 HA ILE A 369 20.390 23.863 -13.258 1.00 74.32 H new ATOM 0 HB ILE A 369 20.261 20.840 -12.779 1.00 64.12 H new ATOM 0 HG12 ILE A 369 20.852 23.056 -10.778 1.00 12.33 H new ATOM 0 HG13 ILE A 369 19.248 22.383 -10.988 1.00 12.33 H new ATOM 0 HG21 ILE A 369 22.606 21.076 -12.105 1.00 5.44 H new ATOM 0 HG22 ILE A 369 22.360 21.572 -13.796 1.00 5.44 H new ATOM 0 HG23 ILE A 369 22.558 22.804 -12.527 1.00 5.44 H new ATOM 0 HD11 ILE A 369 20.375 21.385 -9.082 1.00 72.31 H new ATOM 0 HD12 ILE A 369 20.079 20.165 -10.344 1.00 72.31 H new ATOM 0 HD13 ILE A 369 21.709 20.849 -10.131 1.00 72.31 H new ATOM 232 N GLY A 370 20.933 23.355 -15.605 1.00 42.23 N ATOM 233 CA GLY A 370 21.217 23.147 -17.018 1.00 43.02 C ATOM 234 C GLY A 370 19.982 23.208 -17.903 1.00 30.31 C ATOM 235 O GLY A 370 19.975 22.672 -19.011 1.00 52.53 O ATOM 0 H GLY A 370 21.376 24.183 -15.207 1.00 42.23 H new ATOM 0 HA2 GLY A 370 21.930 23.901 -17.351 1.00 43.02 H new ATOM 0 HA3 GLY A 370 21.697 22.176 -17.144 1.00 43.02 H new ATOM 239 N GLY A 371 18.946 23.862 -17.425 1.00 75.14 N ATOM 240 CA GLY A 371 17.729 23.987 -18.193 1.00 64.53 C ATOM 241 C GLY A 371 16.731 22.883 -17.903 1.00 10.41 C ATOM 242 O GLY A 371 15.578 22.942 -18.341 1.00 70.01 O ATOM 0 H GLY A 371 18.923 24.314 -16.511 1.00 75.14 H new ATOM 0 HA2 GLY A 371 17.268 24.951 -17.979 1.00 64.53 H new ATOM 0 HA3 GLY A 371 17.973 23.979 -19.255 1.00 64.53 H new ATOM 246 N TYR A 372 17.157 21.888 -17.177 1.00 54.34 N ATOM 247 CA TYR A 372 16.298 20.791 -16.809 1.00 24.11 C ATOM 248 C TYR A 372 16.081 20.717 -15.313 1.00 14.35 C ATOM 249 O TYR A 372 16.978 20.991 -14.523 1.00 45.10 O ATOM 250 CB TYR A 372 16.707 19.448 -17.473 1.00 11.33 C ATOM 251 CG TYR A 372 18.195 19.272 -17.732 1.00 53.12 C ATOM 252 CD1 TYR A 372 19.045 18.800 -16.765 1.00 44.14 C ATOM 253 CD2 TYR A 372 18.735 19.582 -18.981 1.00 2.04 C ATOM 254 CE1 TYR A 372 20.396 18.637 -17.018 1.00 71.35 C ATOM 255 CE2 TYR A 372 20.083 19.424 -19.242 1.00 24.21 C ATOM 256 CZ TYR A 372 20.909 18.951 -18.256 1.00 65.20 C ATOM 257 OH TYR A 372 22.263 18.784 -18.503 1.00 31.02 O ATOM 0 H TYR A 372 18.110 21.812 -16.822 1.00 54.34 H new ATOM 0 HA TYR A 372 15.314 21.000 -17.229 1.00 24.11 H new ATOM 0 HB2 TYR A 372 16.367 18.630 -16.837 1.00 11.33 H new ATOM 0 HB3 TYR A 372 16.178 19.356 -18.421 1.00 11.33 H new ATOM 0 HD1 TYR A 372 18.654 18.551 -15.790 1.00 44.14 H new ATOM 0 HD2 TYR A 372 18.086 19.953 -19.760 1.00 2.04 H new ATOM 0 HE1 TYR A 372 21.049 18.263 -16.243 1.00 71.35 H new ATOM 0 HE2 TYR A 372 20.482 19.671 -20.215 1.00 24.21 H new ATOM 0 HH TYR A 372 22.463 19.050 -19.425 1.00 31.02 H new ATOM 267 N THR A 373 14.886 20.375 -14.933 1.00 13.53 N ATOM 268 CA THR A 373 14.492 20.420 -13.556 1.00 51.00 C ATOM 269 C THR A 373 14.862 19.136 -12.848 1.00 45.12 C ATOM 270 O THR A 373 14.316 18.084 -13.134 1.00 24.22 O ATOM 271 CB THR A 373 12.974 20.634 -13.446 1.00 14.01 C ATOM 272 OG1 THR A 373 12.588 21.735 -14.291 1.00 2.41 O ATOM 273 CG2 THR A 373 12.578 20.952 -12.006 1.00 2.02 C ATOM 0 H THR A 373 14.156 20.056 -15.570 1.00 13.53 H new ATOM 0 HA THR A 373 15.017 21.251 -13.084 1.00 51.00 H new ATOM 0 HB THR A 373 12.469 19.720 -13.759 1.00 14.01 H new ATOM 0 HG1 THR A 373 11.620 21.874 -14.225 1.00 2.41 H new ATOM 0 HG21 THR A 373 11.500 21.100 -11.949 1.00 2.02 H new ATOM 0 HG22 THR A 373 12.865 20.124 -11.358 1.00 2.02 H new ATOM 0 HG23 THR A 373 13.086 21.860 -11.681 1.00 2.02 H new ATOM 281 N TYR A 374 15.758 19.232 -11.936 1.00 15.42 N ATOM 282 CA TYR A 374 16.180 18.104 -11.182 1.00 52.32 C ATOM 283 C TYR A 374 15.272 17.900 -10.018 1.00 54.54 C ATOM 284 O TYR A 374 15.044 18.817 -9.232 1.00 71.42 O ATOM 285 CB TYR A 374 17.613 18.284 -10.708 1.00 54.42 C ATOM 286 CG TYR A 374 18.654 17.957 -11.733 1.00 62.42 C ATOM 287 CD1 TYR A 374 19.033 18.867 -12.690 1.00 74.10 C ATOM 288 CD2 TYR A 374 19.268 16.715 -11.729 1.00 23.50 C ATOM 289 CE1 TYR A 374 20.000 18.552 -13.619 1.00 1.33 C ATOM 290 CE2 TYR A 374 20.231 16.396 -12.650 1.00 14.44 C ATOM 291 CZ TYR A 374 20.595 17.312 -13.589 1.00 11.04 C ATOM 292 OH TYR A 374 21.563 16.986 -14.512 1.00 11.03 O ATOM 0 H TYR A 374 16.226 20.104 -11.687 1.00 15.42 H new ATOM 0 HA TYR A 374 16.139 17.222 -11.821 1.00 52.32 H new ATOM 0 HB2 TYR A 374 17.749 19.317 -10.388 1.00 54.42 H new ATOM 0 HB3 TYR A 374 17.774 17.655 -9.832 1.00 54.42 H new ATOM 0 HD1 TYR A 374 18.567 19.841 -12.714 1.00 74.10 H new ATOM 0 HD2 TYR A 374 18.982 15.985 -10.986 1.00 23.50 H new ATOM 0 HE1 TYR A 374 20.290 19.275 -14.367 1.00 1.33 H new ATOM 0 HE2 TYR A 374 20.699 15.423 -12.631 1.00 14.44 H new ATOM 0 HH TYR A 374 21.878 16.073 -14.347 1.00 11.03 H new ATOM 302 N LYS A 375 14.739 16.718 -9.920 1.00 75.31 N ATOM 303 CA LYS A 375 13.872 16.382 -8.848 1.00 60.23 C ATOM 304 C LYS A 375 14.524 15.269 -8.106 1.00 42.21 C ATOM 305 O LYS A 375 14.796 14.223 -8.686 1.00 23.43 O ATOM 306 CB LYS A 375 12.533 15.852 -9.399 1.00 32.33 C ATOM 307 CG LYS A 375 11.470 15.586 -8.325 1.00 32.50 C ATOM 308 CD LYS A 375 10.247 14.819 -8.866 1.00 41.32 C ATOM 309 CE LYS A 375 9.672 15.453 -10.123 1.00 1.54 C ATOM 310 NZ LYS A 375 8.401 14.823 -10.546 1.00 73.22 N ATOM 0 H LYS A 375 14.899 15.963 -10.587 1.00 75.31 H new ATOM 0 HA LYS A 375 13.688 17.254 -8.221 1.00 60.23 H new ATOM 0 HB2 LYS A 375 12.137 16.573 -10.115 1.00 32.33 H new ATOM 0 HB3 LYS A 375 12.719 14.928 -9.946 1.00 32.33 H new ATOM 0 HG2 LYS A 375 11.918 15.016 -7.511 1.00 32.50 H new ATOM 0 HG3 LYS A 375 11.140 16.536 -7.905 1.00 32.50 H new ATOM 0 HD2 LYS A 375 10.534 13.789 -9.081 1.00 41.32 H new ATOM 0 HD3 LYS A 375 9.476 14.782 -8.096 1.00 41.32 H new ATOM 0 HE2 LYS A 375 9.506 16.516 -9.946 1.00 1.54 H new ATOM 0 HE3 LYS A 375 10.399 15.374 -10.931 1.00 1.54 H new ATOM 0 HZ1 LYS A 375 8.051 15.291 -11.406 1.00 73.22 H new ATOM 0 HZ2 LYS A 375 8.562 13.814 -10.742 1.00 73.22 H new ATOM 0 HZ3 LYS A 375 7.696 14.920 -9.788 1.00 73.22 H new ATOM 324 N VAL A 376 14.747 15.459 -6.863 1.00 50.12 N ATOM 325 CA VAL A 376 15.310 14.431 -6.052 1.00 1.00 C ATOM 326 C VAL A 376 14.248 14.006 -5.103 1.00 55.32 C ATOM 327 O VAL A 376 13.811 14.791 -4.278 1.00 54.41 O ATOM 328 CB VAL A 376 16.568 14.903 -5.276 1.00 44.25 C ATOM 329 CG1 VAL A 376 17.154 13.758 -4.453 1.00 61.50 C ATOM 330 CG2 VAL A 376 17.618 15.452 -6.234 1.00 52.52 C ATOM 0 H VAL A 376 14.547 16.329 -6.370 1.00 50.12 H new ATOM 0 HA VAL A 376 15.642 13.609 -6.685 1.00 1.00 H new ATOM 0 HB VAL A 376 16.267 15.701 -4.597 1.00 44.25 H new ATOM 0 HG11 VAL A 376 18.035 14.109 -3.916 1.00 61.50 H new ATOM 0 HG12 VAL A 376 16.410 13.406 -3.738 1.00 61.50 H new ATOM 0 HG13 VAL A 376 17.435 12.940 -5.116 1.00 61.50 H new ATOM 0 HG21 VAL A 376 18.492 15.777 -5.669 1.00 52.52 H new ATOM 0 HG22 VAL A 376 17.911 14.673 -6.938 1.00 52.52 H new ATOM 0 HG23 VAL A 376 17.204 16.299 -6.781 1.00 52.52 H new ATOM 340 N VAL A 377 13.785 12.797 -5.259 1.00 61.32 N ATOM 341 CA VAL A 377 12.708 12.314 -4.454 1.00 24.21 C ATOM 342 C VAL A 377 13.207 11.695 -3.154 1.00 24.33 C ATOM 343 O VAL A 377 12.519 11.758 -2.127 1.00 63.42 O ATOM 344 CB VAL A 377 11.879 11.276 -5.234 1.00 71.11 C ATOM 345 CG1 VAL A 377 10.709 10.812 -4.407 1.00 35.32 C ATOM 346 CG2 VAL A 377 11.394 11.856 -6.558 1.00 63.31 C ATOM 0 H VAL A 377 14.142 12.128 -5.941 1.00 61.32 H new ATOM 0 HA VAL A 377 12.081 13.170 -4.204 1.00 24.21 H new ATOM 0 HB VAL A 377 12.518 10.420 -5.449 1.00 71.11 H new ATOM 0 HG11 VAL A 377 10.133 10.079 -4.971 1.00 35.32 H new ATOM 0 HG12 VAL A 377 11.072 10.357 -3.486 1.00 35.32 H new ATOM 0 HG13 VAL A 377 10.074 11.664 -4.165 1.00 35.32 H new ATOM 0 HG21 VAL A 377 10.811 11.106 -7.092 1.00 63.31 H new ATOM 0 HG22 VAL A 377 10.772 12.730 -6.366 1.00 63.31 H new ATOM 0 HG23 VAL A 377 12.252 12.147 -7.164 1.00 63.31 H new ATOM 356 N PHE A 378 14.427 11.138 -3.196 1.00 10.01 N ATOM 357 CA PHE A 378 14.982 10.355 -2.083 1.00 24.45 C ATOM 358 C PHE A 378 14.265 9.035 -1.923 1.00 13.31 C ATOM 359 O PHE A 378 13.047 8.992 -1.749 1.00 1.51 O ATOM 360 CB PHE A 378 15.026 11.107 -0.736 1.00 21.11 C ATOM 361 CG PHE A 378 16.184 12.012 -0.535 1.00 33.21 C ATOM 362 CD1 PHE A 378 16.163 13.320 -0.971 1.00 4.12 C ATOM 363 CD2 PHE A 378 17.303 11.545 0.126 1.00 23.34 C ATOM 364 CE1 PHE A 378 17.247 14.144 -0.751 1.00 31.40 C ATOM 365 CE2 PHE A 378 18.384 12.353 0.348 1.00 64.02 C ATOM 366 CZ PHE A 378 18.361 13.661 -0.090 1.00 41.24 C ATOM 0 H PHE A 378 15.053 11.217 -3.998 1.00 10.01 H new ATOM 0 HA PHE A 378 16.020 10.171 -2.362 1.00 24.45 H new ATOM 0 HB2 PHE A 378 14.112 11.692 -0.639 1.00 21.11 H new ATOM 0 HB3 PHE A 378 15.021 10.372 0.069 1.00 21.11 H new ATOM 0 HD1 PHE A 378 15.294 13.701 -1.487 1.00 4.12 H new ATOM 0 HD2 PHE A 378 17.325 10.523 0.474 1.00 23.34 H new ATOM 0 HE1 PHE A 378 17.225 15.167 -1.095 1.00 31.40 H new ATOM 0 HE2 PHE A 378 19.252 11.969 0.864 1.00 64.02 H new ATOM 0 HZ PHE A 378 19.210 14.305 0.083 1.00 41.24 H new ATOM 376 N TYR A 379 15.034 7.952 -2.037 1.00 13.23 N ATOM 377 CA TYR A 379 14.555 6.560 -1.856 1.00 13.30 C ATOM 378 C TYR A 379 13.739 6.075 -3.046 1.00 42.34 C ATOM 379 O TYR A 379 13.487 4.883 -3.201 1.00 34.42 O ATOM 380 CB TYR A 379 13.810 6.373 -0.519 1.00 71.53 C ATOM 381 CG TYR A 379 14.669 6.717 0.688 1.00 44.41 C ATOM 382 CD1 TYR A 379 15.527 5.780 1.252 1.00 41.10 C ATOM 383 CD2 TYR A 379 14.639 7.992 1.246 1.00 14.54 C ATOM 384 CE1 TYR A 379 16.320 6.106 2.338 1.00 60.53 C ATOM 385 CE2 TYR A 379 15.429 8.325 2.323 1.00 42.22 C ATOM 386 CZ TYR A 379 16.264 7.381 2.867 1.00 51.03 C ATOM 387 OH TYR A 379 17.046 7.713 3.948 1.00 73.22 O ATOM 0 H TYR A 379 16.027 8.007 -2.262 1.00 13.23 H new ATOM 0 HA TYR A 379 15.440 5.926 -1.809 1.00 13.30 H new ATOM 0 HB2 TYR A 379 12.918 7.000 -0.515 1.00 71.53 H new ATOM 0 HB3 TYR A 379 13.474 5.339 -0.437 1.00 71.53 H new ATOM 0 HD1 TYR A 379 15.575 4.784 0.837 1.00 41.10 H new ATOM 0 HD2 TYR A 379 13.981 8.737 0.824 1.00 14.54 H new ATOM 0 HE1 TYR A 379 16.979 5.368 2.770 1.00 60.53 H new ATOM 0 HE2 TYR A 379 15.392 9.322 2.737 1.00 42.22 H new ATOM 0 HH TYR A 379 16.886 8.648 4.193 1.00 73.22 H new ATOM 397 N GLU A 380 13.334 7.000 -3.870 1.00 10.04 N ATOM 398 CA GLU A 380 12.672 6.690 -5.091 1.00 41.22 C ATOM 399 C GLU A 380 13.615 6.776 -6.260 1.00 1.04 C ATOM 400 O GLU A 380 14.083 5.747 -6.774 1.00 53.12 O ATOM 401 CB GLU A 380 11.458 7.582 -5.318 1.00 40.22 C ATOM 402 CG GLU A 380 10.276 7.244 -4.456 1.00 65.21 C ATOM 403 CD GLU A 380 9.800 5.829 -4.683 1.00 1.24 C ATOM 404 OE1 GLU A 380 9.347 5.525 -5.795 1.00 3.51 O ATOM 405 OE2 GLU A 380 9.864 5.002 -3.746 1.00 3.01 O ATOM 0 H GLU A 380 13.459 7.999 -3.705 1.00 10.04 H new ATOM 0 HA GLU A 380 12.319 5.662 -5.010 1.00 41.22 H new ATOM 0 HB2 GLU A 380 11.743 8.618 -5.134 1.00 40.22 H new ATOM 0 HB3 GLU A 380 11.162 7.514 -6.365 1.00 40.22 H new ATOM 0 HG2 GLU A 380 10.543 7.373 -3.407 1.00 65.21 H new ATOM 0 HG3 GLU A 380 9.463 7.939 -4.666 1.00 65.21 H new ATOM 412 N ASN A 381 13.916 7.998 -6.669 1.00 64.32 N ATOM 413 CA ASN A 381 14.734 8.266 -7.841 1.00 43.44 C ATOM 414 C ASN A 381 14.944 9.748 -8.033 1.00 71.22 C ATOM 415 O ASN A 381 14.527 10.561 -7.182 1.00 33.23 O ATOM 416 CB ASN A 381 14.116 7.620 -9.102 1.00 64.33 C ATOM 417 CG ASN A 381 12.636 7.829 -9.225 1.00 13.53 C ATOM 418 OD1 ASN A 381 12.090 8.833 -8.792 1.00 21.30 O ATOM 419 ND2 ASN A 381 11.977 6.852 -9.779 1.00 74.14 N ATOM 0 H ASN A 381 13.596 8.841 -6.192 1.00 64.32 H new ATOM 0 HA ASN A 381 15.713 7.814 -7.678 1.00 43.44 H new ATOM 0 HB2 ASN A 381 14.606 8.029 -9.986 1.00 64.33 H new ATOM 0 HB3 ASN A 381 14.323 6.550 -9.089 1.00 64.33 H new ATOM 0 HD21 ASN A 381 10.962 6.906 -9.866 1.00 74.14 H new ATOM 0 HD22 ASN A 381 12.476 6.033 -10.126 1.00 74.14 H new ATOM 426 N VAL A 382 15.634 10.098 -9.107 1.00 1.42 N ATOM 427 CA VAL A 382 15.905 11.476 -9.454 1.00 13.30 C ATOM 428 C VAL A 382 15.582 11.693 -10.922 1.00 63.30 C ATOM 429 O VAL A 382 15.985 10.892 -11.783 1.00 1.13 O ATOM 430 CB VAL A 382 17.391 11.872 -9.188 1.00 3.00 C ATOM 431 CG1 VAL A 382 17.645 13.323 -9.582 1.00 4.01 C ATOM 432 CG2 VAL A 382 17.744 11.673 -7.730 1.00 41.34 C ATOM 0 H VAL A 382 16.024 9.424 -9.766 1.00 1.42 H new ATOM 0 HA VAL A 382 15.279 12.107 -8.823 1.00 13.30 H new ATOM 0 HB VAL A 382 18.022 11.225 -9.798 1.00 3.00 H new ATOM 0 HG11 VAL A 382 18.687 13.576 -9.387 1.00 4.01 H new ATOM 0 HG12 VAL A 382 17.432 13.455 -10.643 1.00 4.01 H new ATOM 0 HG13 VAL A 382 16.998 13.977 -8.998 1.00 4.01 H new ATOM 0 HG21 VAL A 382 18.784 11.955 -7.566 1.00 41.34 H new ATOM 0 HG22 VAL A 382 17.097 12.295 -7.111 1.00 41.34 H new ATOM 0 HG23 VAL A 382 17.605 10.626 -7.462 1.00 41.34 H new ATOM 442 N PHE A 383 14.864 12.745 -11.206 1.00 54.50 N ATOM 443 CA PHE A 383 14.470 13.056 -12.561 1.00 72.43 C ATOM 444 C PHE A 383 15.039 14.390 -12.964 1.00 62.44 C ATOM 445 O PHE A 383 15.436 15.188 -12.123 1.00 32.42 O ATOM 446 CB PHE A 383 12.945 13.180 -12.681 1.00 64.14 C ATOM 447 CG PHE A 383 12.148 12.001 -12.233 1.00 75.34 C ATOM 448 CD1 PHE A 383 11.894 10.946 -13.090 1.00 4.35 C ATOM 449 CD2 PHE A 383 11.630 11.965 -10.955 1.00 54.35 C ATOM 450 CE1 PHE A 383 11.134 9.872 -12.675 1.00 10.13 C ATOM 451 CE2 PHE A 383 10.878 10.903 -10.530 1.00 20.40 C ATOM 452 CZ PHE A 383 10.625 9.848 -11.391 1.00 13.14 C ATOM 0 H PHE A 383 14.534 13.412 -10.509 1.00 54.50 H new ATOM 0 HA PHE A 383 14.838 12.250 -13.196 1.00 72.43 H new ATOM 0 HB2 PHE A 383 12.626 14.048 -12.104 1.00 64.14 H new ATOM 0 HB3 PHE A 383 12.699 13.383 -13.723 1.00 64.14 H new ATOM 0 HD1 PHE A 383 12.294 10.963 -14.093 1.00 4.35 H new ATOM 0 HD2 PHE A 383 11.820 12.786 -10.280 1.00 54.35 H new ATOM 0 HE1 PHE A 383 10.938 9.053 -13.351 1.00 10.13 H new ATOM 0 HE2 PHE A 383 10.483 10.888 -9.525 1.00 20.40 H new ATOM 0 HZ PHE A 383 10.031 9.009 -11.059 1.00 13.14 H new ATOM 462 N GLN A 384 15.082 14.607 -14.238 1.00 14.11 N ATOM 463 CA GLN A 384 15.388 15.886 -14.814 1.00 13.55 C ATOM 464 C GLN A 384 14.323 16.229 -15.838 1.00 13.22 C ATOM 465 O GLN A 384 14.315 15.698 -16.959 1.00 52.02 O ATOM 466 CB GLN A 384 16.789 15.945 -15.405 1.00 62.01 C ATOM 467 CG GLN A 384 17.127 14.773 -16.291 1.00 43.12 C ATOM 468 CD GLN A 384 18.468 14.881 -16.945 1.00 5.04 C ATOM 469 OE1 GLN A 384 18.675 14.366 -18.033 1.00 30.24 O ATOM 470 NE2 GLN A 384 19.385 15.538 -16.301 1.00 31.22 N ATOM 0 H GLN A 384 14.901 13.881 -14.931 1.00 14.11 H new ATOM 0 HA GLN A 384 15.382 16.635 -14.022 1.00 13.55 H new ATOM 0 HB2 GLN A 384 16.892 16.865 -15.981 1.00 62.01 H new ATOM 0 HB3 GLN A 384 17.514 15.995 -14.593 1.00 62.01 H new ATOM 0 HG2 GLN A 384 17.094 13.859 -15.698 1.00 43.12 H new ATOM 0 HG3 GLN A 384 16.363 14.680 -17.063 1.00 43.12 H new ATOM 0 HE21 GLN A 384 19.173 15.954 -15.394 1.00 31.22 H new ATOM 0 HE22 GLN A 384 20.317 15.638 -16.702 1.00 31.22 H new ATOM 479 N ASP A 385 13.399 17.078 -15.414 1.00 5.02 N ATOM 480 CA ASP A 385 12.220 17.495 -16.184 1.00 65.02 C ATOM 481 C ASP A 385 11.249 16.334 -16.311 1.00 14.34 C ATOM 482 O ASP A 385 10.254 16.257 -15.598 1.00 60.21 O ATOM 483 CB ASP A 385 12.592 18.069 -17.562 1.00 10.44 C ATOM 484 CG ASP A 385 11.387 18.526 -18.353 1.00 4.34 C ATOM 485 OD1 ASP A 385 10.837 19.605 -18.042 1.00 71.24 O ATOM 486 OD2 ASP A 385 10.979 17.813 -19.300 1.00 0.44 O ATOM 0 H ASP A 385 13.444 17.515 -14.493 1.00 5.02 H new ATOM 0 HA ASP A 385 11.734 18.304 -15.639 1.00 65.02 H new ATOM 0 HB2 ASP A 385 13.273 18.910 -17.428 1.00 10.44 H new ATOM 0 HB3 ASP A 385 13.129 17.311 -18.133 1.00 10.44 H new ATOM 491 N SER A 386 11.562 15.432 -17.183 1.00 34.12 N ATOM 492 CA SER A 386 10.792 14.233 -17.348 1.00 73.34 C ATOM 493 C SER A 386 11.728 13.067 -17.679 1.00 53.11 C ATOM 494 O SER A 386 11.301 11.923 -17.805 1.00 31.45 O ATOM 495 CB SER A 386 9.713 14.426 -18.434 1.00 45.14 C ATOM 496 OG SER A 386 8.902 13.267 -18.591 1.00 72.41 O ATOM 0 H SER A 386 12.365 15.503 -17.808 1.00 34.12 H new ATOM 0 HA SER A 386 10.273 14.002 -16.417 1.00 73.34 H new ATOM 0 HB2 SER A 386 9.083 15.276 -18.173 1.00 45.14 H new ATOM 0 HB3 SER A 386 10.193 14.664 -19.383 1.00 45.14 H new ATOM 0 HG SER A 386 9.430 12.468 -18.386 1.00 72.41 H new ATOM 502 N ILE A 387 13.014 13.357 -17.781 1.00 53.23 N ATOM 503 CA ILE A 387 13.982 12.343 -18.102 1.00 72.24 C ATOM 504 C ILE A 387 14.536 11.778 -16.803 1.00 15.24 C ATOM 505 O ILE A 387 15.051 12.506 -15.967 1.00 62.05 O ATOM 506 CB ILE A 387 15.144 12.903 -18.961 1.00 20.34 C ATOM 507 CG1 ILE A 387 14.595 13.610 -20.202 1.00 62.40 C ATOM 508 CG2 ILE A 387 16.070 11.769 -19.382 1.00 1.24 C ATOM 509 CD1 ILE A 387 15.662 14.245 -21.066 1.00 35.31 C ATOM 0 H ILE A 387 13.404 14.290 -17.645 1.00 53.23 H new ATOM 0 HA ILE A 387 13.489 11.566 -18.687 1.00 72.24 H new ATOM 0 HB ILE A 387 15.704 13.623 -18.365 1.00 20.34 H new ATOM 0 HG12 ILE A 387 14.036 12.891 -20.801 1.00 62.40 H new ATOM 0 HG13 ILE A 387 13.890 14.379 -19.888 1.00 62.40 H new ATOM 0 HG21 ILE A 387 16.885 12.169 -19.986 1.00 1.24 H new ATOM 0 HG22 ILE A 387 16.479 11.285 -18.495 1.00 1.24 H new ATOM 0 HG23 ILE A 387 15.510 11.040 -19.967 1.00 1.24 H new ATOM 0 HD11 ILE A 387 15.195 14.726 -21.926 1.00 35.31 H new ATOM 0 HD12 ILE A 387 16.206 14.989 -20.484 1.00 35.31 H new ATOM 0 HD13 ILE A 387 16.355 13.478 -21.412 1.00 35.31 H new ATOM 521 N LEU A 388 14.398 10.516 -16.639 1.00 52.34 N ATOM 522 CA LEU A 388 14.832 9.831 -15.453 1.00 71.54 C ATOM 523 C LEU A 388 16.354 9.568 -15.459 1.00 23.42 C ATOM 524 O LEU A 388 16.903 9.076 -16.443 1.00 21.03 O ATOM 525 CB LEU A 388 14.020 8.531 -15.345 1.00 2.23 C ATOM 526 CG LEU A 388 14.412 7.529 -14.280 1.00 3.30 C ATOM 527 CD1 LEU A 388 14.341 8.135 -12.889 1.00 60.43 C ATOM 528 CD2 LEU A 388 13.512 6.315 -14.373 1.00 44.42 C ATOM 0 H LEU A 388 13.971 9.904 -17.335 1.00 52.34 H new ATOM 0 HA LEU A 388 14.653 10.454 -14.577 1.00 71.54 H new ATOM 0 HB2 LEU A 388 12.977 8.802 -15.179 1.00 2.23 H new ATOM 0 HB3 LEU A 388 14.068 8.027 -16.310 1.00 2.23 H new ATOM 0 HG LEU A 388 15.446 7.231 -14.453 1.00 3.30 H new ATOM 0 HD11 LEU A 388 14.629 7.386 -12.151 1.00 60.43 H new ATOM 0 HD12 LEU A 388 15.020 8.985 -12.828 1.00 60.43 H new ATOM 0 HD13 LEU A 388 13.323 8.469 -12.689 1.00 60.43 H new ATOM 0 HD21 LEU A 388 13.794 5.593 -13.606 1.00 44.42 H new ATOM 0 HD22 LEU A 388 12.476 6.618 -14.223 1.00 44.42 H new ATOM 0 HD23 LEU A 388 13.617 5.859 -15.357 1.00 44.42 H new ATOM 540 N LEU A 389 17.029 9.959 -14.372 1.00 24.34 N ATOM 541 CA LEU A 389 18.462 9.658 -14.203 1.00 32.41 C ATOM 542 C LEU A 389 18.654 8.196 -13.814 1.00 10.04 C ATOM 543 O LEU A 389 19.122 7.392 -14.597 1.00 62.31 O ATOM 544 CB LEU A 389 19.104 10.548 -13.126 1.00 42.21 C ATOM 545 CG LEU A 389 19.095 12.053 -13.373 1.00 25.52 C ATOM 546 CD1 LEU A 389 19.805 12.764 -12.244 1.00 62.05 C ATOM 547 CD2 LEU A 389 19.761 12.385 -14.690 1.00 51.30 C ATOM 0 H LEU A 389 16.614 10.480 -13.600 1.00 24.34 H new ATOM 0 HA LEU A 389 18.949 9.857 -15.158 1.00 32.41 H new ATOM 0 HB2 LEU A 389 18.595 10.357 -12.182 1.00 42.21 H new ATOM 0 HB3 LEU A 389 20.139 10.232 -12.999 1.00 42.21 H new ATOM 0 HG LEU A 389 18.059 12.389 -13.416 1.00 25.52 H new ATOM 0 HD11 LEU A 389 19.795 13.838 -12.427 1.00 62.05 H new ATOM 0 HD12 LEU A 389 19.297 12.551 -11.303 1.00 62.05 H new ATOM 0 HD13 LEU A 389 20.836 12.416 -12.186 1.00 62.05 H new ATOM 0 HD21 LEU A 389 19.743 13.464 -14.845 1.00 51.30 H new ATOM 0 HD22 LEU A 389 20.794 12.038 -14.673 1.00 51.30 H new ATOM 0 HD23 LEU A 389 19.226 11.893 -15.502 1.00 51.30 H new ATOM 559 N GLY A 390 18.249 7.864 -12.609 1.00 1.13 N ATOM 560 CA GLY A 390 18.407 6.526 -12.106 1.00 62.31 C ATOM 561 C GLY A 390 17.384 6.243 -11.048 1.00 41.34 C ATOM 562 O GLY A 390 16.617 7.135 -10.696 1.00 74.51 O ATOM 0 H GLY A 390 17.805 8.511 -11.958 1.00 1.13 H new ATOM 0 HA2 GLY A 390 18.305 5.810 -12.921 1.00 62.31 H new ATOM 0 HA3 GLY A 390 19.409 6.401 -11.695 1.00 62.31 H new ATOM 566 N ASN A 391 17.395 5.040 -10.503 1.00 63.55 N ATOM 567 CA ASN A 391 16.412 4.622 -9.516 1.00 3.10 C ATOM 568 C ASN A 391 17.078 4.099 -8.350 1.00 42.11 C ATOM 569 O ASN A 391 18.205 3.612 -8.444 1.00 25.25 O ATOM 570 CB ASN A 391 15.440 3.575 -10.015 1.00 25.01 C ATOM 571 CG ASN A 391 14.513 4.082 -11.049 1.00 42.51 C ATOM 572 OD1 ASN A 391 13.434 4.602 -10.746 1.00 73.33 O ATOM 573 ND2 ASN A 391 14.883 3.934 -12.259 1.00 4.42 N ATOM 0 H ASN A 391 18.085 4.324 -10.731 1.00 63.55 H new ATOM 0 HA ASN A 391 15.834 5.517 -9.284 1.00 3.10 H new ATOM 0 HB2 ASN A 391 16.001 2.733 -10.421 1.00 25.01 H new ATOM 0 HB3 ASN A 391 14.861 3.196 -9.173 1.00 25.01 H new ATOM 0 HD21 ASN A 391 14.280 4.250 -13.019 1.00 4.42 H new ATOM 0 HD22 ASN A 391 15.782 3.500 -12.468 1.00 4.42 H new ATOM 580 N PHE A 392 16.415 4.195 -7.248 1.00 4.31 N ATOM 581 CA PHE A 392 17.008 3.763 -5.982 1.00 44.23 C ATOM 582 C PHE A 392 17.437 2.306 -6.059 1.00 63.33 C ATOM 583 O PHE A 392 16.616 1.401 -6.229 1.00 2.34 O ATOM 584 CB PHE A 392 16.033 3.977 -4.827 1.00 25.15 C ATOM 585 CG PHE A 392 16.568 3.578 -3.477 1.00 4.42 C ATOM 586 CD1 PHE A 392 17.482 4.380 -2.815 1.00 64.50 C ATOM 587 CD2 PHE A 392 16.144 2.408 -2.868 1.00 31.53 C ATOM 588 CE1 PHE A 392 17.964 4.021 -1.572 1.00 73.35 C ATOM 589 CE2 PHE A 392 16.624 2.045 -1.628 1.00 64.44 C ATOM 590 CZ PHE A 392 17.533 2.851 -0.979 1.00 54.33 C ATOM 0 H PHE A 392 15.467 4.563 -7.175 1.00 4.31 H new ATOM 0 HA PHE A 392 17.894 4.371 -5.797 1.00 44.23 H new ATOM 0 HB2 PHE A 392 15.752 5.030 -4.796 1.00 25.15 H new ATOM 0 HB3 PHE A 392 15.124 3.410 -5.026 1.00 25.15 H new ATOM 0 HD1 PHE A 392 17.821 5.296 -3.276 1.00 64.50 H new ATOM 0 HD2 PHE A 392 15.429 1.773 -3.371 1.00 31.53 H new ATOM 0 HE1 PHE A 392 18.677 4.654 -1.065 1.00 73.35 H new ATOM 0 HE2 PHE A 392 16.287 1.129 -1.165 1.00 64.44 H new ATOM 0 HZ PHE A 392 17.908 2.568 -0.007 1.00 54.33 H new ATOM 600 N ALA A 393 18.720 2.100 -5.987 1.00 53.23 N ATOM 601 CA ALA A 393 19.268 0.778 -6.016 1.00 10.34 C ATOM 602 C ALA A 393 19.985 0.467 -4.733 1.00 10.41 C ATOM 603 O ALA A 393 19.785 -0.593 -4.132 1.00 24.03 O ATOM 604 CB ALA A 393 20.196 0.607 -7.208 1.00 61.13 C ATOM 0 H ALA A 393 19.414 2.843 -5.907 1.00 53.23 H new ATOM 0 HA ALA A 393 18.444 0.072 -6.121 1.00 10.34 H new ATOM 0 HB1 ALA A 393 20.602 -0.405 -7.211 1.00 61.13 H new ATOM 0 HB2 ALA A 393 19.640 0.778 -8.130 1.00 61.13 H new ATOM 0 HB3 ALA A 393 21.013 1.325 -7.139 1.00 61.13 H new ATOM 610 N SER A 394 20.799 1.407 -4.292 1.00 31.14 N ATOM 611 CA SER A 394 21.651 1.178 -3.161 1.00 71.34 C ATOM 612 C SER A 394 21.596 2.361 -2.195 1.00 73.32 C ATOM 613 O SER A 394 21.333 3.505 -2.606 1.00 14.32 O ATOM 614 CB SER A 394 23.084 0.999 -3.666 1.00 13.20 C ATOM 615 OG SER A 394 23.131 0.046 -4.725 1.00 61.40 O ATOM 0 H SER A 394 20.882 2.335 -4.707 1.00 31.14 H new ATOM 0 HA SER A 394 21.316 0.287 -2.630 1.00 71.34 H new ATOM 0 HB2 SER A 394 23.474 1.956 -4.014 1.00 13.20 H new ATOM 0 HB3 SER A 394 23.725 0.672 -2.847 1.00 13.20 H new ATOM 0 HG SER A 394 24.065 -0.136 -4.960 1.00 61.40 H new ATOM 621 N GLN A 395 21.838 2.078 -0.942 1.00 11.23 N ATOM 622 CA GLN A 395 21.894 3.065 0.107 1.00 70.51 C ATOM 623 C GLN A 395 23.186 2.863 0.870 1.00 53.32 C ATOM 624 O GLN A 395 23.515 1.735 1.239 1.00 14.44 O ATOM 625 CB GLN A 395 20.712 2.893 1.067 1.00 55.25 C ATOM 626 CG GLN A 395 20.734 3.855 2.251 1.00 33.14 C ATOM 627 CD GLN A 395 19.639 3.591 3.271 1.00 14.51 C ATOM 628 OE1 GLN A 395 19.823 3.836 4.456 1.00 55.44 O ATOM 629 NE2 GLN A 395 18.503 3.103 2.828 1.00 44.14 N ATOM 0 H GLN A 395 22.007 1.128 -0.613 1.00 11.23 H new ATOM 0 HA GLN A 395 21.848 4.064 -0.326 1.00 70.51 H new ATOM 0 HB2 GLN A 395 19.783 3.034 0.514 1.00 55.25 H new ATOM 0 HB3 GLN A 395 20.707 1.870 1.443 1.00 55.25 H new ATOM 0 HG2 GLN A 395 21.703 3.787 2.745 1.00 33.14 H new ATOM 0 HG3 GLN A 395 20.636 4.876 1.881 1.00 33.14 H new ATOM 0 HE21 GLN A 395 18.384 2.911 1.833 1.00 44.14 H new ATOM 0 HE22 GLN A 395 17.740 2.917 3.479 1.00 44.14 H new ATOM 638 N GLU A 396 23.913 3.916 1.100 1.00 31.32 N ATOM 639 CA GLU A 396 25.146 3.825 1.828 1.00 74.43 C ATOM 640 C GLU A 396 25.213 4.945 2.845 1.00 61.21 C ATOM 641 O GLU A 396 25.521 6.092 2.507 1.00 75.14 O ATOM 642 CB GLU A 396 26.333 3.880 0.874 1.00 5.23 C ATOM 643 CG GLU A 396 27.671 3.683 1.544 1.00 60.20 C ATOM 644 CD GLU A 396 28.805 3.749 0.571 1.00 12.22 C ATOM 645 OE1 GLU A 396 29.092 2.744 -0.087 1.00 54.10 O ATOM 646 OE2 GLU A 396 29.441 4.806 0.456 1.00 54.31 O ATOM 0 H GLU A 396 23.671 4.857 0.791 1.00 31.32 H new ATOM 0 HA GLU A 396 25.187 2.871 2.353 1.00 74.43 H new ATOM 0 HB2 GLU A 396 26.206 3.115 0.108 1.00 5.23 H new ATOM 0 HB3 GLU A 396 26.332 4.844 0.365 1.00 5.23 H new ATOM 0 HG2 GLU A 396 27.807 4.446 2.311 1.00 60.20 H new ATOM 0 HG3 GLU A 396 27.684 2.717 2.049 1.00 60.20 H new ATOM 653 N GLY A 397 24.878 4.622 4.075 1.00 4.12 N ATOM 654 CA GLY A 397 24.854 5.610 5.120 1.00 0.13 C ATOM 655 C GLY A 397 23.768 6.627 4.866 1.00 52.33 C ATOM 656 O GLY A 397 22.576 6.305 4.918 1.00 41.55 O ATOM 0 H GLY A 397 24.619 3.681 4.372 1.00 4.12 H new ATOM 0 HA2 GLY A 397 24.688 5.125 6.082 1.00 0.13 H new ATOM 0 HA3 GLY A 397 25.821 6.110 5.178 1.00 0.13 H new ATOM 660 N ASN A 398 24.169 7.838 4.562 1.00 13.10 N ATOM 661 CA ASN A 398 23.226 8.903 4.267 1.00 13.44 C ATOM 662 C ASN A 398 23.224 9.204 2.766 1.00 0.25 C ATOM 663 O ASN A 398 22.473 10.047 2.290 1.00 42.05 O ATOM 664 CB ASN A 398 23.531 10.181 5.098 1.00 31.11 C ATOM 665 CG ASN A 398 24.878 10.842 4.784 1.00 70.23 C ATOM 666 OD1 ASN A 398 25.836 10.183 4.364 1.00 54.24 O ATOM 667 ND2 ASN A 398 24.969 12.132 5.030 1.00 51.13 N ATOM 0 H ASN A 398 25.149 8.117 4.511 1.00 13.10 H new ATOM 0 HA ASN A 398 22.230 8.566 4.554 1.00 13.44 H new ATOM 0 HB2 ASN A 398 22.736 10.907 4.927 1.00 31.11 H new ATOM 0 HB3 ASN A 398 23.506 9.924 6.157 1.00 31.11 H new ATOM 0 HD21 ASN A 398 25.851 12.620 4.875 1.00 51.13 H new ATOM 0 HD22 ASN A 398 24.157 12.644 5.376 1.00 51.13 H new ATOM 674 N VAL A 399 24.055 8.478 2.032 1.00 74.30 N ATOM 675 CA VAL A 399 24.200 8.642 0.592 1.00 22.24 C ATOM 676 C VAL A 399 23.343 7.610 -0.141 1.00 75.14 C ATOM 677 O VAL A 399 23.261 6.449 0.270 1.00 10.30 O ATOM 678 CB VAL A 399 25.698 8.494 0.165 1.00 30.42 C ATOM 679 CG1 VAL A 399 25.866 8.552 -1.347 1.00 32.44 C ATOM 680 CG2 VAL A 399 26.535 9.580 0.811 1.00 41.22 C ATOM 0 H VAL A 399 24.654 7.751 2.423 1.00 74.30 H new ATOM 0 HA VAL A 399 23.863 9.643 0.324 1.00 22.24 H new ATOM 0 HB VAL A 399 26.038 7.515 0.504 1.00 30.42 H new ATOM 0 HG11 VAL A 399 26.921 8.445 -1.600 1.00 32.44 H new ATOM 0 HG12 VAL A 399 25.299 7.743 -1.807 1.00 32.44 H new ATOM 0 HG13 VAL A 399 25.499 9.509 -1.717 1.00 32.44 H new ATOM 0 HG21 VAL A 399 27.576 9.467 0.507 1.00 41.22 H new ATOM 0 HG22 VAL A 399 26.169 10.557 0.496 1.00 41.22 H new ATOM 0 HG23 VAL A 399 26.463 9.498 1.896 1.00 41.22 H new ATOM 690 N LEU A 400 22.698 8.030 -1.207 1.00 74.30 N ATOM 691 CA LEU A 400 21.838 7.150 -1.967 1.00 62.24 C ATOM 692 C LEU A 400 22.316 7.052 -3.408 1.00 64.51 C ATOM 693 O LEU A 400 22.723 8.058 -4.004 1.00 52.15 O ATOM 694 CB LEU A 400 20.353 7.593 -1.921 1.00 13.30 C ATOM 695 CG LEU A 400 19.624 7.562 -0.547 1.00 71.41 C ATOM 696 CD1 LEU A 400 20.123 8.638 0.406 1.00 3.42 C ATOM 697 CD2 LEU A 400 18.129 7.674 -0.726 1.00 21.23 C ATOM 0 H LEU A 400 22.754 8.982 -1.569 1.00 74.30 H new ATOM 0 HA LEU A 400 21.896 6.166 -1.502 1.00 62.24 H new ATOM 0 HB2 LEU A 400 20.296 8.611 -2.306 1.00 13.30 H new ATOM 0 HB3 LEU A 400 19.794 6.960 -2.610 1.00 13.30 H new ATOM 0 HG LEU A 400 19.857 6.598 -0.095 1.00 71.41 H new ATOM 0 HD11 LEU A 400 19.580 8.570 1.349 1.00 3.42 H new ATOM 0 HD12 LEU A 400 21.188 8.496 0.590 1.00 3.42 H new ATOM 0 HD13 LEU A 400 19.959 9.621 -0.037 1.00 3.42 H new ATOM 0 HD21 LEU A 400 17.643 7.650 0.249 1.00 21.23 H new ATOM 0 HD22 LEU A 400 17.892 8.613 -1.226 1.00 21.23 H new ATOM 0 HD23 LEU A 400 17.771 6.840 -1.330 1.00 21.23 H new ATOM 709 N LYS A 401 22.274 5.851 -3.961 1.00 15.35 N ATOM 710 CA LYS A 401 22.748 5.612 -5.315 1.00 23.30 C ATOM 711 C LYS A 401 21.552 5.210 -6.183 1.00 23.23 C ATOM 712 O LYS A 401 20.802 4.263 -5.843 1.00 63.43 O ATOM 713 CB LYS A 401 23.798 4.473 -5.293 1.00 4.21 C ATOM 714 CG LYS A 401 24.707 4.334 -6.532 1.00 11.22 C ATOM 715 CD LYS A 401 23.967 3.992 -7.818 1.00 52.34 C ATOM 716 CE LYS A 401 23.190 2.670 -7.747 1.00 60.03 C ATOM 717 NZ LYS A 401 24.052 1.516 -7.358 1.00 61.55 N ATOM 0 H LYS A 401 21.914 5.021 -3.490 1.00 15.35 H new ATOM 0 HA LYS A 401 23.211 6.511 -5.723 1.00 23.30 H new ATOM 0 HB2 LYS A 401 24.435 4.616 -4.420 1.00 4.21 H new ATOM 0 HB3 LYS A 401 23.271 3.529 -5.152 1.00 4.21 H new ATOM 0 HG2 LYS A 401 25.250 5.268 -6.676 1.00 11.22 H new ATOM 0 HG3 LYS A 401 25.450 3.561 -6.338 1.00 11.22 H new ATOM 0 HD2 LYS A 401 23.273 4.799 -8.054 1.00 52.34 H new ATOM 0 HD3 LYS A 401 24.684 3.939 -8.637 1.00 52.34 H new ATOM 0 HE2 LYS A 401 22.377 2.769 -7.028 1.00 60.03 H new ATOM 0 HE3 LYS A 401 22.735 2.468 -8.717 1.00 60.03 H new ATOM 0 HZ1 LYS A 401 23.986 0.773 -8.083 1.00 61.55 H new ATOM 0 HZ2 LYS A 401 25.039 1.832 -7.276 1.00 61.55 H new ATOM 0 HZ3 LYS A 401 23.733 1.137 -6.444 1.00 61.55 H new ATOM 731 N TYR A 402 21.386 5.891 -7.285 1.00 24.12 N ATOM 732 CA TYR A 402 20.298 5.640 -8.187 1.00 55.20 C ATOM 733 C TYR A 402 20.813 5.189 -9.572 1.00 73.30 C ATOM 734 O TYR A 402 21.472 5.931 -10.240 1.00 11.30 O ATOM 735 CB TYR A 402 19.462 6.916 -8.345 1.00 55.20 C ATOM 736 CG TYR A 402 18.904 7.476 -7.050 1.00 51.14 C ATOM 737 CD1 TYR A 402 19.621 8.395 -6.302 1.00 73.53 C ATOM 738 CD2 TYR A 402 17.667 7.090 -6.586 1.00 51.43 C ATOM 739 CE1 TYR A 402 19.113 8.905 -5.129 1.00 62.15 C ATOM 740 CE2 TYR A 402 17.150 7.597 -5.415 1.00 11.14 C ATOM 741 CZ TYR A 402 17.879 8.503 -4.692 1.00 25.14 C ATOM 742 OH TYR A 402 17.371 9.013 -3.522 1.00 35.12 O ATOM 0 H TYR A 402 22.009 6.642 -7.583 1.00 24.12 H new ATOM 0 HA TYR A 402 19.686 4.839 -7.771 1.00 55.20 H new ATOM 0 HB2 TYR A 402 20.078 7.680 -8.819 1.00 55.20 H new ATOM 0 HB3 TYR A 402 18.633 6.709 -9.022 1.00 55.20 H new ATOM 0 HD1 TYR A 402 20.594 8.716 -6.644 1.00 73.53 H new ATOM 0 HD2 TYR A 402 17.090 6.374 -7.152 1.00 51.43 H new ATOM 0 HE1 TYR A 402 19.685 9.619 -4.556 1.00 62.15 H new ATOM 0 HE2 TYR A 402 16.176 7.282 -5.069 1.00 11.14 H new ATOM 0 HH TYR A 402 18.013 9.643 -3.133 1.00 35.12 H new ATOM 752 N GLU A 403 20.491 3.969 -9.970 1.00 12.54 N ATOM 753 CA GLU A 403 20.842 3.428 -11.301 1.00 24.13 C ATOM 754 C GLU A 403 19.650 2.823 -11.965 1.00 32.43 C ATOM 755 O GLU A 403 18.568 2.809 -11.394 1.00 54.24 O ATOM 756 CB GLU A 403 21.927 2.367 -11.260 1.00 60.51 C ATOM 757 CG GLU A 403 23.325 2.879 -11.173 1.00 11.44 C ATOM 758 CD GLU A 403 24.307 1.761 -11.261 1.00 21.12 C ATOM 759 OE1 GLU A 403 24.710 1.405 -12.394 1.00 2.44 O ATOM 760 OE2 GLU A 403 24.674 1.199 -10.214 1.00 44.42 O ATOM 0 H GLU A 403 19.975 3.311 -9.385 1.00 12.54 H new ATOM 0 HA GLU A 403 21.215 4.286 -11.861 1.00 24.13 H new ATOM 0 HB2 GLU A 403 21.743 1.717 -10.404 1.00 60.51 H new ATOM 0 HB3 GLU A 403 21.840 1.749 -12.154 1.00 60.51 H new ATOM 0 HG2 GLU A 403 23.506 3.592 -11.977 1.00 11.44 H new ATOM 0 HG3 GLU A 403 23.462 3.416 -10.234 1.00 11.44 H new ATOM 767 N ASN A 404 19.865 2.305 -13.173 1.00 14.31 N ATOM 768 CA ASN A 404 18.828 1.626 -13.949 1.00 54.40 C ATOM 769 C ASN A 404 17.726 2.606 -14.287 1.00 54.24 C ATOM 770 O ASN A 404 16.528 2.324 -14.086 1.00 4.00 O ATOM 771 CB ASN A 404 18.248 0.405 -13.181 1.00 60.24 C ATOM 772 CG ASN A 404 19.286 -0.651 -12.793 1.00 14.45 C ATOM 773 OD1 ASN A 404 19.139 -1.333 -11.773 1.00 50.03 O ATOM 774 ND2 ASN A 404 20.309 -0.822 -13.594 1.00 34.23 N ATOM 0 H ASN A 404 20.769 2.345 -13.644 1.00 14.31 H new ATOM 0 HA ASN A 404 19.278 1.251 -14.868 1.00 54.40 H new ATOM 0 HB2 ASN A 404 17.755 0.761 -12.277 1.00 60.24 H new ATOM 0 HB3 ASN A 404 17.482 -0.066 -13.797 1.00 60.24 H new ATOM 0 HD21 ASN A 404 21.009 -1.533 -13.382 1.00 34.23 H new ATOM 0 HD22 ASN A 404 20.405 -0.244 -14.429 1.00 34.23 H new ATOM 781 N GLY A 405 18.122 3.759 -14.788 1.00 3.51 N ATOM 782 CA GLY A 405 17.172 4.761 -15.134 1.00 4.03 C ATOM 783 C GLY A 405 16.867 4.739 -16.600 1.00 21.32 C ATOM 784 O GLY A 405 16.766 3.664 -17.211 1.00 31.51 O ATOM 0 H GLY A 405 19.095 4.011 -14.959 1.00 3.51 H new ATOM 0 HA2 GLY A 405 16.254 4.606 -14.567 1.00 4.03 H new ATOM 0 HA3 GLY A 405 17.557 5.742 -14.855 1.00 4.03 H new ATOM 788 N GLN A 406 16.722 5.894 -17.159 1.00 1.41 N ATOM 789 CA GLN A 406 16.417 6.041 -18.550 1.00 61.54 C ATOM 790 C GLN A 406 17.750 5.962 -19.305 1.00 75.35 C ATOM 791 O GLN A 406 18.706 6.627 -18.925 1.00 65.42 O ATOM 792 CB GLN A 406 15.702 7.399 -18.722 1.00 12.22 C ATOM 793 CG GLN A 406 14.925 7.644 -20.009 1.00 31.10 C ATOM 794 CD GLN A 406 15.765 7.744 -21.255 1.00 72.32 C ATOM 795 OE1 GLN A 406 16.020 6.751 -21.925 1.00 2.45 O ATOM 796 NE2 GLN A 406 16.170 8.938 -21.588 1.00 64.24 N ATOM 0 H GLN A 406 16.813 6.778 -16.658 1.00 1.41 H new ATOM 0 HA GLN A 406 15.757 5.268 -18.943 1.00 61.54 H new ATOM 0 HB2 GLN A 406 15.011 7.520 -17.888 1.00 12.22 H new ATOM 0 HB3 GLN A 406 16.452 8.184 -18.631 1.00 12.22 H new ATOM 0 HG2 GLN A 406 14.205 6.836 -20.139 1.00 31.10 H new ATOM 0 HG3 GLN A 406 14.354 8.566 -19.900 1.00 31.10 H new ATOM 0 HE21 GLN A 406 15.935 9.738 -21.001 1.00 64.24 H new ATOM 0 HE22 GLN A 406 16.722 9.072 -22.435 1.00 64.24 H new ATOM 805 N SER A 407 17.803 5.130 -20.328 1.00 51.20 N ATOM 806 CA SER A 407 19.012 4.877 -21.110 1.00 41.13 C ATOM 807 C SER A 407 19.746 6.168 -21.556 1.00 45.05 C ATOM 808 O SER A 407 19.127 7.150 -21.988 1.00 13.13 O ATOM 809 CB SER A 407 18.651 4.005 -22.300 1.00 1.04 C ATOM 810 OG SER A 407 18.072 2.790 -21.848 1.00 21.44 O ATOM 0 H SER A 407 16.995 4.598 -20.650 1.00 51.20 H new ATOM 0 HA SER A 407 19.722 4.359 -20.466 1.00 41.13 H new ATOM 0 HB2 SER A 407 17.952 4.532 -22.950 1.00 1.04 H new ATOM 0 HB3 SER A 407 19.542 3.796 -22.893 1.00 1.04 H new ATOM 0 HG SER A 407 17.839 2.232 -22.619 1.00 21.44 H new ATOM 816 N CYS A 408 21.075 6.138 -21.453 1.00 61.12 N ATOM 817 CA CYS A 408 21.923 7.284 -21.760 1.00 34.34 C ATOM 818 C CYS A 408 22.313 7.231 -23.224 1.00 1.33 C ATOM 819 O CYS A 408 22.839 8.206 -23.776 1.00 1.11 O ATOM 820 CB CYS A 408 23.190 7.208 -20.878 1.00 5.33 C ATOM 821 SG CYS A 408 24.336 8.628 -20.973 1.00 0.34 S ATOM 0 H CYS A 408 21.593 5.313 -21.153 1.00 61.12 H new ATOM 0 HA CYS A 408 21.392 8.215 -21.562 1.00 34.34 H new ATOM 0 HB2 CYS A 408 22.877 7.091 -19.840 1.00 5.33 H new ATOM 0 HB3 CYS A 408 23.740 6.307 -21.148 1.00 5.33 H new ATOM 889 N ARG A 414 22.330 5.285 -17.020 1.00 53.50 N ATOM 890 CA ARG A 414 22.548 6.465 -16.180 1.00 42.34 C ATOM 891 C ARG A 414 22.573 6.114 -14.711 1.00 4.31 C ATOM 892 O ARG A 414 22.158 5.015 -14.298 1.00 73.32 O ATOM 893 CB ARG A 414 21.547 7.604 -16.490 1.00 32.02 C ATOM 894 CG ARG A 414 21.517 7.959 -17.959 1.00 30.20 C ATOM 895 CD ARG A 414 20.507 9.031 -18.312 1.00 44.11 C ATOM 896 NE ARG A 414 21.021 10.390 -18.144 1.00 74.53 N ATOM 897 CZ ARG A 414 20.259 11.477 -18.134 1.00 74.20 C ATOM 898 NH1 ARG A 414 18.945 11.372 -17.977 1.00 41.15 N ATOM 899 NH2 ARG A 414 20.814 12.671 -18.227 1.00 21.03 N ATOM 0 HA ARG A 414 23.537 6.848 -16.432 1.00 42.34 H new ATOM 0 HB2 ARG A 414 20.549 7.304 -16.171 1.00 32.02 H new ATOM 0 HB3 ARG A 414 21.815 8.488 -15.911 1.00 32.02 H new ATOM 0 HG2 ARG A 414 22.509 8.295 -18.262 1.00 30.20 H new ATOM 0 HG3 ARG A 414 21.295 7.061 -18.535 1.00 30.20 H new ATOM 0 HD2 ARG A 414 20.190 8.895 -19.346 1.00 44.11 H new ATOM 0 HD3 ARG A 414 19.622 8.905 -17.689 1.00 44.11 H new ATOM 0 HE ARG A 414 22.027 10.510 -18.027 1.00 74.53 H new ATOM 0 HH11 ARG A 414 18.517 10.453 -17.863 1.00 41.15 H new ATOM 0 HH12 ARG A 414 18.364 12.210 -17.970 1.00 41.15 H new ATOM 0 HH21 ARG A 414 21.827 12.758 -18.306 1.00 21.03 H new ATOM 0 HH22 ARG A 414 20.230 13.507 -18.219 1.00 21.03 H new ATOM 913 N SER A 415 23.100 7.004 -13.947 1.00 23.44 N ATOM 914 CA SER A 415 23.205 6.840 -12.547 1.00 54.14 C ATOM 915 C SER A 415 23.186 8.204 -11.909 1.00 21.50 C ATOM 916 O SER A 415 23.586 9.190 -12.528 1.00 15.42 O ATOM 917 CB SER A 415 24.502 6.072 -12.204 1.00 10.34 C ATOM 918 OG SER A 415 24.674 5.881 -10.800 1.00 52.04 O ATOM 0 H SER A 415 23.478 7.887 -14.290 1.00 23.44 H new ATOM 0 HA SER A 415 22.368 6.256 -12.163 1.00 54.14 H new ATOM 0 HB2 SER A 415 24.486 5.101 -12.699 1.00 10.34 H new ATOM 0 HB3 SER A 415 25.358 6.618 -12.600 1.00 10.34 H new ATOM 0 HG SER A 415 25.625 5.953 -10.574 1.00 52.04 H new ATOM 924 N ALA A 416 22.691 8.269 -10.727 1.00 64.33 N ATOM 925 CA ALA A 416 22.642 9.466 -9.968 1.00 63.32 C ATOM 926 C ALA A 416 23.080 9.141 -8.573 1.00 2.33 C ATOM 927 O ALA A 416 22.496 8.283 -7.915 1.00 12.31 O ATOM 928 CB ALA A 416 21.236 10.060 -9.978 1.00 44.20 C ATOM 0 H ALA A 416 22.295 7.463 -10.244 1.00 64.33 H new ATOM 0 HA ALA A 416 23.304 10.215 -10.402 1.00 63.32 H new ATOM 0 HB1 ALA A 416 21.224 10.977 -9.389 1.00 44.20 H new ATOM 0 HB2 ALA A 416 20.943 10.284 -11.004 1.00 44.20 H new ATOM 0 HB3 ALA A 416 20.535 9.344 -9.548 1.00 44.20 H new ATOM 934 N ILE A 417 24.102 9.779 -8.134 1.00 13.24 N ATOM 935 CA ILE A 417 24.631 9.533 -6.831 1.00 45.33 C ATOM 936 C ILE A 417 24.399 10.767 -5.969 1.00 11.34 C ATOM 937 O ILE A 417 24.973 11.832 -6.204 1.00 21.25 O ATOM 938 CB ILE A 417 26.153 9.119 -6.905 1.00 55.31 C ATOM 939 CG1 ILE A 417 26.755 8.816 -5.530 1.00 61.42 C ATOM 940 CG2 ILE A 417 26.988 10.136 -7.645 1.00 45.44 C ATOM 941 CD1 ILE A 417 26.125 7.633 -4.830 1.00 74.41 C ATOM 0 H ILE A 417 24.602 10.491 -8.666 1.00 13.24 H new ATOM 0 HA ILE A 417 24.115 8.690 -6.371 1.00 45.33 H new ATOM 0 HB ILE A 417 26.175 8.191 -7.477 1.00 55.31 H new ATOM 0 HG12 ILE A 417 27.823 8.630 -5.645 1.00 61.42 H new ATOM 0 HG13 ILE A 417 26.651 9.697 -4.897 1.00 61.42 H new ATOM 0 HG21 ILE A 417 28.027 9.806 -7.669 1.00 45.44 H new ATOM 0 HG22 ILE A 417 26.617 10.239 -8.665 1.00 45.44 H new ATOM 0 HG23 ILE A 417 26.925 11.098 -7.137 1.00 45.44 H new ATOM 0 HD11 ILE A 417 26.606 7.484 -3.863 1.00 74.41 H new ATOM 0 HD12 ILE A 417 25.062 7.822 -4.681 1.00 74.41 H new ATOM 0 HD13 ILE A 417 26.252 6.739 -5.441 1.00 74.41 H new ATOM 953 N VAL A 418 23.536 10.646 -4.998 1.00 55.13 N ATOM 954 CA VAL A 418 23.200 11.780 -4.191 1.00 50.13 C ATOM 955 C VAL A 418 24.077 11.811 -2.979 1.00 40.44 C ATOM 956 O VAL A 418 23.971 10.967 -2.092 1.00 3.25 O ATOM 957 CB VAL A 418 21.692 11.783 -3.789 1.00 62.02 C ATOM 958 CG1 VAL A 418 21.360 12.916 -2.822 1.00 1.25 C ATOM 959 CG2 VAL A 418 20.813 11.899 -5.015 1.00 15.14 C ATOM 0 H VAL A 418 23.058 9.780 -4.750 1.00 55.13 H new ATOM 0 HA VAL A 418 23.370 12.681 -4.781 1.00 50.13 H new ATOM 0 HB VAL A 418 21.498 10.836 -3.286 1.00 62.02 H new ATOM 0 HG11 VAL A 418 20.300 12.880 -2.569 1.00 1.25 H new ATOM 0 HG12 VAL A 418 21.954 12.805 -1.914 1.00 1.25 H new ATOM 0 HG13 VAL A 418 21.589 13.873 -3.291 1.00 1.25 H new ATOM 0 HG21 VAL A 418 19.766 11.899 -4.713 1.00 15.14 H new ATOM 0 HG22 VAL A 418 21.040 12.828 -5.539 1.00 15.14 H new ATOM 0 HG23 VAL A 418 20.999 11.054 -5.678 1.00 15.14 H new ATOM 969 N THR A 419 24.948 12.771 -2.958 1.00 62.11 N ATOM 970 CA THR A 419 25.842 12.952 -1.883 1.00 20.14 C ATOM 971 C THR A 419 25.360 14.132 -1.067 1.00 30.21 C ATOM 972 O THR A 419 25.308 15.273 -1.557 1.00 41.11 O ATOM 973 CB THR A 419 27.268 13.225 -2.407 1.00 72.40 C ATOM 974 OG1 THR A 419 27.659 12.157 -3.290 1.00 62.32 O ATOM 975 CG2 THR A 419 28.260 13.306 -1.253 1.00 3.40 C ATOM 0 H THR A 419 25.051 13.457 -3.706 1.00 62.11 H new ATOM 0 HA THR A 419 25.873 12.051 -1.271 1.00 20.14 H new ATOM 0 HB THR A 419 27.269 14.177 -2.939 1.00 72.40 H new ATOM 0 HG1 THR A 419 28.563 12.326 -3.627 1.00 62.32 H new ATOM 0 HG21 THR A 419 29.259 13.499 -1.645 1.00 3.40 H new ATOM 0 HG22 THR A 419 27.971 14.114 -0.581 1.00 3.40 H new ATOM 0 HG23 THR A 419 28.260 12.363 -0.707 1.00 3.40 H new ATOM 983 N VAL A 420 24.976 13.863 0.136 1.00 54.43 N ATOM 984 CA VAL A 420 24.513 14.888 1.000 1.00 50.02 C ATOM 985 C VAL A 420 25.559 15.267 2.013 1.00 72.33 C ATOM 986 O VAL A 420 26.127 14.422 2.690 1.00 60.24 O ATOM 987 CB VAL A 420 23.171 14.541 1.683 1.00 14.41 C ATOM 988 CG1 VAL A 420 22.040 14.557 0.678 1.00 34.35 C ATOM 989 CG2 VAL A 420 23.237 13.186 2.356 1.00 1.14 C ATOM 0 H VAL A 420 24.975 12.928 0.544 1.00 54.43 H new ATOM 0 HA VAL A 420 24.322 15.756 0.369 1.00 50.02 H new ATOM 0 HB VAL A 420 22.982 15.299 2.443 1.00 14.41 H new ATOM 0 HG11 VAL A 420 21.104 14.310 1.179 1.00 34.35 H new ATOM 0 HG12 VAL A 420 21.963 15.549 0.233 1.00 34.35 H new ATOM 0 HG13 VAL A 420 22.237 13.823 -0.104 1.00 34.35 H new ATOM 0 HG21 VAL A 420 22.279 12.967 2.828 1.00 1.14 H new ATOM 0 HG22 VAL A 420 23.458 12.421 1.612 1.00 1.14 H new ATOM 0 HG23 VAL A 420 24.022 13.193 3.113 1.00 1.14 H new ATOM 999 N GLU A 421 25.812 16.540 2.087 1.00 51.03 N ATOM 1000 CA GLU A 421 26.793 17.093 3.000 1.00 75.41 C ATOM 1001 C GLU A 421 26.098 17.818 4.149 1.00 44.20 C ATOM 1002 O GLU A 421 26.732 18.445 5.006 1.00 34.54 O ATOM 1003 CB GLU A 421 27.769 17.978 2.210 1.00 72.31 C ATOM 1004 CG GLU A 421 27.095 18.965 1.259 1.00 23.13 C ATOM 1005 CD GLU A 421 28.086 19.688 0.376 1.00 41.21 C ATOM 1006 OE1 GLU A 421 28.700 19.033 -0.503 1.00 74.24 O ATOM 1007 OE2 GLU A 421 28.252 20.916 0.527 1.00 60.35 O ATOM 0 H GLU A 421 25.342 17.240 1.512 1.00 51.03 H new ATOM 0 HA GLU A 421 27.381 16.300 3.463 1.00 75.41 H new ATOM 0 HB2 GLU A 421 28.387 18.535 2.914 1.00 72.31 H new ATOM 0 HB3 GLU A 421 28.438 17.337 1.636 1.00 72.31 H new ATOM 0 HG2 GLU A 421 26.379 18.431 0.634 1.00 23.13 H new ATOM 0 HG3 GLU A 421 26.530 19.695 1.839 1.00 23.13 H new ATOM 1014 N CYS A 422 24.775 17.673 4.147 1.00 65.10 N ATOM 1015 CA CYS A 422 23.854 18.192 5.162 1.00 23.22 C ATOM 1016 C CYS A 422 23.815 19.719 5.256 1.00 55.41 C ATOM 1017 O CYS A 422 24.780 20.411 4.951 1.00 12.15 O ATOM 1018 CB CYS A 422 24.051 17.522 6.542 1.00 75.02 C ATOM 1019 SG CYS A 422 22.820 18.032 7.792 1.00 65.35 S ATOM 0 H CYS A 422 24.291 17.168 3.405 1.00 65.10 H new ATOM 0 HA CYS A 422 22.863 17.907 4.808 1.00 23.22 H new ATOM 0 HB2 CYS A 422 24.004 16.440 6.420 1.00 75.02 H new ATOM 0 HB3 CYS A 422 25.049 17.758 6.911 1.00 75.02 H new ATOM 0 HG CYS A 422 21.647 18.116 7.237 1.00 65.35 H new ATOM 1024 N GLY A 423 22.671 20.226 5.639 1.00 54.42 N ATOM 1025 CA GLY A 423 22.484 21.637 5.769 1.00 10.22 C ATOM 1026 C GLY A 423 21.363 21.927 6.719 1.00 53.31 C ATOM 1027 O GLY A 423 20.859 21.016 7.371 1.00 52.54 O ATOM 0 H GLY A 423 21.848 19.668 5.868 1.00 54.42 H new ATOM 0 HA2 GLY A 423 23.403 22.101 6.127 1.00 10.22 H new ATOM 0 HA3 GLY A 423 22.266 22.073 4.794 1.00 10.22 H new ATOM 1031 N VAL A 424 20.972 23.168 6.809 1.00 11.24 N ATOM 1032 CA VAL A 424 19.870 23.569 7.677 1.00 45.44 C ATOM 1033 C VAL A 424 18.571 23.555 6.864 1.00 2.45 C ATOM 1034 O VAL A 424 17.461 23.516 7.403 1.00 32.42 O ATOM 1035 CB VAL A 424 20.119 25.003 8.246 1.00 2.15 C ATOM 1036 CG1 VAL A 424 19.033 25.419 9.230 1.00 11.31 C ATOM 1037 CG2 VAL A 424 21.484 25.085 8.901 1.00 62.23 C ATOM 0 H VAL A 424 21.398 23.936 6.290 1.00 11.24 H new ATOM 0 HA VAL A 424 19.796 22.873 8.513 1.00 45.44 H new ATOM 0 HB VAL A 424 20.086 25.697 7.406 1.00 2.15 H new ATOM 0 HG11 VAL A 424 19.244 26.422 9.602 1.00 11.31 H new ATOM 0 HG12 VAL A 424 18.066 25.414 8.728 1.00 11.31 H new ATOM 0 HG13 VAL A 424 19.011 24.719 10.065 1.00 11.31 H new ATOM 0 HG21 VAL A 424 21.640 26.091 9.292 1.00 62.23 H new ATOM 0 HG22 VAL A 424 21.539 24.366 9.718 1.00 62.23 H new ATOM 0 HG23 VAL A 424 22.255 24.858 8.165 1.00 62.23 H new ATOM 1047 N GLU A 425 18.734 23.543 5.568 1.00 61.43 N ATOM 1048 CA GLU A 425 17.638 23.584 4.640 1.00 51.42 C ATOM 1049 C GLU A 425 17.866 22.543 3.565 1.00 71.44 C ATOM 1050 O GLU A 425 18.989 22.080 3.400 1.00 74.41 O ATOM 1051 CB GLU A 425 17.573 24.972 4.003 1.00 41.34 C ATOM 1052 CG GLU A 425 18.848 25.356 3.248 1.00 11.41 C ATOM 1053 CD GLU A 425 18.821 26.757 2.703 1.00 34.24 C ATOM 1054 OE1 GLU A 425 18.250 26.980 1.614 1.00 34.23 O ATOM 1055 OE2 GLU A 425 19.387 27.656 3.343 1.00 42.51 O ATOM 0 H GLU A 425 19.650 23.504 5.120 1.00 61.43 H new ATOM 0 HA GLU A 425 16.701 23.378 5.157 1.00 51.42 H new ATOM 0 HB2 GLU A 425 16.728 25.009 3.316 1.00 41.34 H new ATOM 0 HB3 GLU A 425 17.384 25.712 4.781 1.00 41.34 H new ATOM 0 HG2 GLU A 425 19.703 25.251 3.916 1.00 11.41 H new ATOM 0 HG3 GLU A 425 18.999 24.657 2.425 1.00 11.41 H new ATOM 1062 N ASN A 426 16.811 22.160 2.875 1.00 45.03 N ATOM 1063 CA ASN A 426 16.914 21.241 1.738 1.00 10.21 C ATOM 1064 C ASN A 426 17.185 22.023 0.497 1.00 30.34 C ATOM 1065 O ASN A 426 16.399 22.905 0.136 1.00 74.20 O ATOM 1066 CB ASN A 426 15.620 20.438 1.516 1.00 60.52 C ATOM 1067 CG ASN A 426 15.343 19.383 2.556 1.00 42.20 C ATOM 1068 OD1 ASN A 426 15.755 18.244 2.416 1.00 75.41 O ATOM 1069 ND2 ASN A 426 14.642 19.734 3.583 1.00 15.24 N ATOM 0 H ASN A 426 15.860 22.469 3.077 1.00 45.03 H new ATOM 0 HA ASN A 426 17.722 20.544 1.960 1.00 10.21 H new ATOM 0 HB2 ASN A 426 14.779 21.131 1.489 1.00 60.52 H new ATOM 0 HB3 ASN A 426 15.670 19.959 0.538 1.00 60.52 H new ATOM 0 HD21 ASN A 426 14.419 19.050 4.306 1.00 15.24 H new ATOM 0 HD22 ASN A 426 14.312 20.695 3.671 1.00 15.24 H new ATOM 1076 N GLU A 427 18.277 21.736 -0.154 1.00 21.32 N ATOM 1077 CA GLU A 427 18.603 22.416 -1.372 1.00 33.13 C ATOM 1078 C GLU A 427 19.540 21.570 -2.210 1.00 40.44 C ATOM 1079 O GLU A 427 20.408 20.849 -1.672 1.00 64.21 O ATOM 1080 CB GLU A 427 19.256 23.776 -1.071 1.00 4.15 C ATOM 1081 CG GLU A 427 19.524 24.613 -2.305 1.00 1.32 C ATOM 1082 CD GLU A 427 18.247 24.976 -3.030 1.00 42.12 C ATOM 1083 OE1 GLU A 427 17.740 24.149 -3.826 1.00 20.20 O ATOM 1084 OE2 GLU A 427 17.733 26.096 -2.802 1.00 52.32 O ATOM 0 H GLU A 427 18.956 21.034 0.140 1.00 21.32 H new ATOM 0 HA GLU A 427 17.681 22.584 -1.929 1.00 33.13 H new ATOM 0 HB2 GLU A 427 18.610 24.337 -0.396 1.00 4.15 H new ATOM 0 HB3 GLU A 427 20.196 23.609 -0.546 1.00 4.15 H new ATOM 0 HG2 GLU A 427 20.050 25.524 -2.018 1.00 1.32 H new ATOM 0 HG3 GLU A 427 20.181 24.064 -2.980 1.00 1.32 H new ATOM 1091 N ILE A 428 19.344 21.635 -3.501 1.00 24.13 N ATOM 1092 CA ILE A 428 20.198 20.985 -4.453 1.00 42.02 C ATOM 1093 C ILE A 428 21.255 21.992 -4.881 1.00 71.41 C ATOM 1094 O ILE A 428 20.928 23.043 -5.444 1.00 64.31 O ATOM 1095 CB ILE A 428 19.398 20.534 -5.689 1.00 50.31 C ATOM 1096 CG1 ILE A 428 18.241 19.619 -5.279 1.00 31.04 C ATOM 1097 CG2 ILE A 428 20.309 19.842 -6.695 1.00 72.42 C ATOM 1098 CD1 ILE A 428 17.367 19.178 -6.432 1.00 13.33 C ATOM 0 H ILE A 428 18.573 22.151 -3.925 1.00 24.13 H new ATOM 0 HA ILE A 428 20.649 20.102 -4.001 1.00 42.02 H new ATOM 0 HB ILE A 428 18.976 21.418 -6.167 1.00 50.31 H new ATOM 0 HG12 ILE A 428 18.647 18.736 -4.786 1.00 31.04 H new ATOM 0 HG13 ILE A 428 17.623 20.138 -4.546 1.00 31.04 H new ATOM 0 HG21 ILE A 428 19.725 19.531 -7.561 1.00 72.42 H new ATOM 0 HG22 ILE A 428 21.090 20.532 -7.013 1.00 72.42 H new ATOM 0 HG23 ILE A 428 20.765 18.967 -6.231 1.00 72.42 H new ATOM 0 HD11 ILE A 428 16.571 18.533 -6.059 1.00 13.33 H new ATOM 0 HD12 ILE A 428 16.930 20.053 -6.913 1.00 13.33 H new ATOM 0 HD13 ILE A 428 17.969 18.629 -7.156 1.00 13.33 H new ATOM 1110 N VAL A 429 22.498 21.683 -4.618 1.00 52.11 N ATOM 1111 CA VAL A 429 23.571 22.603 -4.896 1.00 63.14 C ATOM 1112 C VAL A 429 24.041 22.474 -6.345 1.00 63.20 C ATOM 1113 O VAL A 429 23.908 23.412 -7.141 1.00 34.20 O ATOM 1114 CB VAL A 429 24.774 22.375 -3.935 1.00 31.11 C ATOM 1115 CG1 VAL A 429 25.872 23.403 -4.179 1.00 32.03 C ATOM 1116 CG2 VAL A 429 24.319 22.406 -2.479 1.00 12.02 C ATOM 0 H VAL A 429 22.794 20.796 -4.209 1.00 52.11 H new ATOM 0 HA VAL A 429 23.183 23.609 -4.737 1.00 63.14 H new ATOM 0 HB VAL A 429 25.185 21.387 -4.142 1.00 31.11 H new ATOM 0 HG11 VAL A 429 26.700 23.220 -3.494 1.00 32.03 H new ATOM 0 HG12 VAL A 429 26.226 23.320 -5.207 1.00 32.03 H new ATOM 0 HG13 VAL A 429 25.476 24.405 -4.011 1.00 32.03 H new ATOM 0 HG21 VAL A 429 25.177 22.244 -1.826 1.00 12.02 H new ATOM 0 HG22 VAL A 429 23.872 23.375 -2.258 1.00 12.02 H new ATOM 0 HG23 VAL A 429 23.582 21.620 -2.311 1.00 12.02 H new ATOM 1126 N SER A 430 24.559 21.315 -6.691 1.00 61.32 N ATOM 1127 CA SER A 430 25.117 21.102 -8.009 1.00 52.31 C ATOM 1128 C SER A 430 24.915 19.668 -8.446 1.00 15.22 C ATOM 1129 O SER A 430 24.746 18.774 -7.607 1.00 55.24 O ATOM 1130 CB SER A 430 26.622 21.396 -7.982 1.00 4.03 C ATOM 1131 OG SER A 430 26.895 22.722 -7.544 1.00 25.12 O ATOM 0 H SER A 430 24.605 20.503 -6.075 1.00 61.32 H new ATOM 0 HA SER A 430 24.612 21.768 -8.708 1.00 52.31 H new ATOM 0 HB2 SER A 430 27.119 20.686 -7.321 1.00 4.03 H new ATOM 0 HB3 SER A 430 27.039 21.250 -8.979 1.00 4.03 H new ATOM 0 HG SER A 430 27.863 22.872 -7.538 1.00 25.12 H new ATOM 1137 N VAL A 431 24.913 19.460 -9.746 1.00 35.23 N ATOM 1138 CA VAL A 431 24.864 18.144 -10.336 1.00 34.24 C ATOM 1139 C VAL A 431 25.865 18.126 -11.471 1.00 21.23 C ATOM 1140 O VAL A 431 25.782 18.949 -12.386 1.00 2.13 O ATOM 1141 CB VAL A 431 23.461 17.763 -10.889 1.00 45.42 C ATOM 1142 CG1 VAL A 431 23.500 16.365 -11.489 1.00 51.13 C ATOM 1143 CG2 VAL A 431 22.401 17.830 -9.799 1.00 21.22 C ATOM 0 H VAL A 431 24.946 20.215 -10.431 1.00 35.23 H new ATOM 0 HA VAL A 431 25.094 17.414 -9.560 1.00 34.24 H new ATOM 0 HB VAL A 431 23.197 18.483 -11.664 1.00 45.42 H new ATOM 0 HG11 VAL A 431 22.513 16.107 -11.874 1.00 51.13 H new ATOM 0 HG12 VAL A 431 24.225 16.338 -12.302 1.00 51.13 H new ATOM 0 HG13 VAL A 431 23.789 15.647 -10.721 1.00 51.13 H new ATOM 0 HG21 VAL A 431 21.432 17.558 -10.217 1.00 21.22 H new ATOM 0 HG22 VAL A 431 22.658 17.137 -8.998 1.00 21.22 H new ATOM 0 HG23 VAL A 431 22.353 18.843 -9.400 1.00 21.22 H new ATOM 1153 N LEU A 432 26.805 17.230 -11.412 1.00 30.40 N ATOM 1154 CA LEU A 432 27.858 17.185 -12.404 1.00 71.30 C ATOM 1155 C LEU A 432 28.021 15.780 -12.962 1.00 12.43 C ATOM 1156 O LEU A 432 28.039 14.802 -12.207 1.00 34.44 O ATOM 1157 CB LEU A 432 29.180 17.654 -11.770 1.00 22.02 C ATOM 1158 CG LEU A 432 30.409 17.698 -12.686 1.00 34.21 C ATOM 1159 CD1 LEU A 432 30.214 18.703 -13.810 1.00 71.31 C ATOM 1160 CD2 LEU A 432 31.654 18.027 -11.887 1.00 12.21 C ATOM 0 H LEU A 432 26.871 16.515 -10.688 1.00 30.40 H new ATOM 0 HA LEU A 432 27.589 17.848 -13.227 1.00 71.30 H new ATOM 0 HB2 LEU A 432 29.025 18.652 -11.361 1.00 22.02 H new ATOM 0 HB3 LEU A 432 29.406 16.997 -10.930 1.00 22.02 H new ATOM 0 HG LEU A 432 30.535 16.712 -13.133 1.00 34.21 H new ATOM 0 HD11 LEU A 432 31.100 18.715 -14.445 1.00 71.31 H new ATOM 0 HD12 LEU A 432 29.345 18.420 -14.404 1.00 71.31 H new ATOM 0 HD13 LEU A 432 30.057 19.695 -13.388 1.00 71.31 H new ATOM 0 HD21 LEU A 432 32.517 18.054 -12.553 1.00 12.21 H new ATOM 0 HD22 LEU A 432 31.533 18.999 -11.409 1.00 12.21 H new ATOM 0 HD23 LEU A 432 31.808 17.264 -11.124 1.00 12.21 H new ATOM 1172 N GLU A 433 28.126 15.674 -14.273 1.00 70.01 N ATOM 1173 CA GLU A 433 28.381 14.398 -14.894 1.00 23.54 C ATOM 1174 C GLU A 433 29.888 14.209 -14.961 1.00 4.32 C ATOM 1175 O GLU A 433 30.555 14.675 -15.898 1.00 44.22 O ATOM 1176 CB GLU A 433 27.779 14.326 -16.300 1.00 62.54 C ATOM 1177 CG GLU A 433 27.914 12.966 -16.972 1.00 53.14 C ATOM 1178 CD GLU A 433 27.431 12.978 -18.399 1.00 74.13 C ATOM 1179 OE1 GLU A 433 26.204 13.025 -18.632 1.00 2.30 O ATOM 1180 OE2 GLU A 433 28.274 12.968 -19.313 1.00 70.15 O ATOM 0 H GLU A 433 28.038 16.456 -14.922 1.00 70.01 H new ATOM 0 HA GLU A 433 27.915 13.608 -14.305 1.00 23.54 H new ATOM 0 HB2 GLU A 433 26.722 14.587 -16.244 1.00 62.54 H new ATOM 0 HB3 GLU A 433 28.260 15.077 -16.927 1.00 62.54 H new ATOM 0 HG2 GLU A 433 28.958 12.654 -16.948 1.00 53.14 H new ATOM 0 HG3 GLU A 433 27.347 12.227 -16.406 1.00 53.14 H new ATOM 1187 N ALA A 434 30.430 13.612 -13.942 1.00 3.41 N ATOM 1188 CA ALA A 434 31.856 13.410 -13.873 1.00 4.35 C ATOM 1189 C ALA A 434 32.216 11.989 -14.211 1.00 50.05 C ATOM 1190 O ALA A 434 33.363 11.685 -14.539 1.00 35.33 O ATOM 1191 CB ALA A 434 32.380 13.773 -12.499 1.00 55.42 C ATOM 0 H ALA A 434 29.909 13.253 -13.142 1.00 3.41 H new ATOM 0 HA ALA A 434 32.324 14.065 -14.608 1.00 4.35 H new ATOM 0 HB1 ALA A 434 33.458 13.614 -12.467 1.00 55.42 H new ATOM 0 HB2 ALA A 434 32.162 14.821 -12.291 1.00 55.42 H new ATOM 0 HB3 ALA A 434 31.898 13.146 -11.749 1.00 55.42 H new ATOM 1197 N GLN A 435 31.241 11.118 -14.143 1.00 64.22 N ATOM 1198 CA GLN A 435 31.469 9.722 -14.396 1.00 73.51 C ATOM 1199 C GLN A 435 30.476 9.221 -15.423 1.00 41.23 C ATOM 1200 O GLN A 435 29.541 9.935 -15.749 1.00 21.45 O ATOM 1201 CB GLN A 435 31.433 8.919 -13.078 1.00 64.43 C ATOM 1202 CG GLN A 435 32.469 9.431 -12.082 1.00 30.41 C ATOM 1203 CD GLN A 435 32.576 8.663 -10.776 1.00 34.12 C ATOM 1204 OE1 GLN A 435 33.648 8.599 -10.188 1.00 70.51 O ATOM 1205 NE2 GLN A 435 31.503 8.118 -10.291 1.00 4.50 N ATOM 0 H GLN A 435 30.276 11.356 -13.913 1.00 64.22 H new ATOM 0 HA GLN A 435 32.465 9.579 -14.814 1.00 73.51 H new ATOM 0 HB2 GLN A 435 30.439 8.986 -12.637 1.00 64.43 H new ATOM 0 HB3 GLN A 435 31.618 7.865 -13.288 1.00 64.43 H new ATOM 0 HG2 GLN A 435 33.445 9.421 -12.567 1.00 30.41 H new ATOM 0 HG3 GLN A 435 32.238 10.471 -11.851 1.00 30.41 H new ATOM 0 HE21 GLN A 435 30.622 8.185 -10.800 1.00 4.50 H new ATOM 0 HE22 GLN A 435 31.541 7.622 -9.400 1.00 4.50 H new ATOM 1214 N LYS A 436 30.705 8.005 -15.911 1.00 32.55 N ATOM 1215 CA LYS A 436 29.942 7.336 -17.006 1.00 12.21 C ATOM 1216 C LYS A 436 28.409 7.514 -16.921 1.00 4.31 C ATOM 1217 O LYS A 436 27.696 6.696 -16.328 1.00 13.43 O ATOM 1218 CB LYS A 436 30.332 5.827 -17.097 1.00 4.14 C ATOM 1219 CG LYS A 436 29.885 4.894 -15.923 1.00 1.41 C ATOM 1220 CD LYS A 436 30.294 5.385 -14.526 1.00 45.11 C ATOM 1221 CE LYS A 436 29.938 4.359 -13.463 1.00 53.54 C ATOM 1222 NZ LYS A 436 30.645 3.080 -13.675 1.00 42.51 N ATOM 0 H LYS A 436 31.457 7.418 -15.550 1.00 32.55 H new ATOM 0 HA LYS A 436 30.233 7.844 -17.926 1.00 12.21 H new ATOM 0 HB2 LYS A 436 29.916 5.427 -18.022 1.00 4.14 H new ATOM 0 HB3 LYS A 436 31.417 5.764 -17.182 1.00 4.14 H new ATOM 0 HG2 LYS A 436 28.801 4.787 -15.953 1.00 1.41 H new ATOM 0 HG3 LYS A 436 30.307 3.902 -16.083 1.00 1.41 H new ATOM 0 HD2 LYS A 436 31.366 5.579 -14.504 1.00 45.11 H new ATOM 0 HD3 LYS A 436 29.794 6.329 -14.308 1.00 45.11 H new ATOM 0 HE2 LYS A 436 30.189 4.754 -12.479 1.00 53.54 H new ATOM 0 HE3 LYS A 436 28.862 4.185 -13.472 1.00 53.54 H new ATOM 0 HZ1 LYS A 436 30.641 2.531 -12.792 1.00 42.51 H new ATOM 0 HZ2 LYS A 436 30.166 2.538 -14.422 1.00 42.51 H new ATOM 0 HZ3 LYS A 436 31.627 3.269 -13.960 1.00 42.51 H new ATOM 1236 N CYS A 437 27.913 8.618 -17.497 1.00 73.34 N ATOM 1237 CA CYS A 437 26.491 8.973 -17.440 1.00 62.22 C ATOM 1238 C CYS A 437 26.006 9.005 -15.978 1.00 73.24 C ATOM 1239 O CYS A 437 24.809 8.864 -15.704 1.00 43.24 O ATOM 1240 CB CYS A 437 25.642 7.987 -18.274 1.00 11.21 C ATOM 1241 SG CYS A 437 26.038 7.954 -20.066 1.00 30.25 S ATOM 0 H CYS A 437 28.485 9.287 -18.013 1.00 73.34 H new ATOM 0 HA CYS A 437 26.369 9.968 -17.869 1.00 62.22 H new ATOM 0 HB2 CYS A 437 25.774 6.984 -17.869 1.00 11.21 H new ATOM 0 HB3 CYS A 437 24.590 8.244 -18.154 1.00 11.21 H new ATOM 1246 N GLU A 438 26.941 9.220 -15.047 1.00 62.20 N ATOM 1247 CA GLU A 438 26.616 9.243 -13.663 1.00 14.02 C ATOM 1248 C GLU A 438 26.628 10.662 -13.177 1.00 2.13 C ATOM 1249 O GLU A 438 27.617 11.400 -13.350 1.00 71.34 O ATOM 1250 CB GLU A 438 27.546 8.364 -12.826 1.00 51.33 C ATOM 1251 CG GLU A 438 27.100 8.302 -11.367 1.00 64.40 C ATOM 1252 CD GLU A 438 27.857 7.314 -10.543 1.00 72.10 C ATOM 1253 OE1 GLU A 438 28.918 7.658 -10.028 1.00 2.22 O ATOM 1254 OE2 GLU A 438 27.374 6.169 -10.382 1.00 63.04 O ATOM 0 H GLU A 438 27.927 9.379 -15.253 1.00 62.20 H new ATOM 0 HA GLU A 438 25.617 8.823 -13.542 1.00 14.02 H new ATOM 0 HB2 GLU A 438 27.569 7.357 -13.243 1.00 51.33 H new ATOM 0 HB3 GLU A 438 28.562 8.754 -12.880 1.00 51.33 H new ATOM 0 HG2 GLU A 438 27.210 9.291 -10.922 1.00 64.40 H new ATOM 0 HG3 GLU A 438 26.040 8.052 -11.332 1.00 64.40 H new ATOM 1261 N TYR A 439 25.551 11.039 -12.590 1.00 41.24 N ATOM 1262 CA TYR A 439 25.333 12.365 -12.161 1.00 12.45 C ATOM 1263 C TYR A 439 25.568 12.510 -10.681 1.00 64.34 C ATOM 1264 O TYR A 439 24.852 11.928 -9.859 1.00 62.24 O ATOM 1265 CB TYR A 439 23.928 12.806 -12.594 1.00 71.35 C ATOM 1266 CG TYR A 439 23.805 12.765 -14.088 1.00 42.33 C ATOM 1267 CD1 TYR A 439 24.217 13.835 -14.856 1.00 23.34 C ATOM 1268 CD2 TYR A 439 23.318 11.634 -14.742 1.00 1.15 C ATOM 1269 CE1 TYR A 439 24.151 13.783 -16.223 1.00 4.43 C ATOM 1270 CE2 TYR A 439 23.247 11.586 -16.097 1.00 4.33 C ATOM 1271 CZ TYR A 439 23.663 12.655 -16.835 1.00 41.12 C ATOM 1272 OH TYR A 439 23.600 12.593 -18.198 1.00 32.51 O ATOM 0 H TYR A 439 24.774 10.410 -12.390 1.00 41.24 H new ATOM 0 HA TYR A 439 26.055 13.030 -12.635 1.00 12.45 H new ATOM 0 HB2 TYR A 439 23.180 12.154 -12.143 1.00 71.35 H new ATOM 0 HB3 TYR A 439 23.730 13.815 -12.234 1.00 71.35 H new ATOM 0 HD1 TYR A 439 24.596 14.724 -14.373 1.00 23.34 H new ATOM 0 HD2 TYR A 439 22.992 10.783 -14.162 1.00 1.15 H new ATOM 0 HE1 TYR A 439 24.481 14.624 -16.816 1.00 4.43 H new ATOM 0 HE2 TYR A 439 22.863 10.705 -16.589 1.00 4.33 H new ATOM 0 HH TYR A 439 24.507 12.606 -18.568 1.00 32.51 H new ATOM 1282 N LEU A 440 26.600 13.259 -10.355 1.00 23.12 N ATOM 1283 CA LEU A 440 26.964 13.530 -8.980 1.00 40.14 C ATOM 1284 C LEU A 440 26.021 14.586 -8.470 1.00 73.23 C ATOM 1285 O LEU A 440 26.032 15.713 -8.974 1.00 62.23 O ATOM 1286 CB LEU A 440 28.401 14.090 -8.884 1.00 61.14 C ATOM 1287 CG LEU A 440 29.547 13.278 -9.509 1.00 12.20 C ATOM 1288 CD1 LEU A 440 30.865 13.999 -9.288 1.00 44.41 C ATOM 1289 CD2 LEU A 440 29.620 11.879 -8.937 1.00 43.14 C ATOM 0 H LEU A 440 27.214 13.700 -11.040 1.00 23.12 H new ATOM 0 HA LEU A 440 26.909 12.607 -8.403 1.00 40.14 H new ATOM 0 HB2 LEU A 440 28.404 15.077 -9.346 1.00 61.14 H new ATOM 0 HB3 LEU A 440 28.632 14.231 -7.828 1.00 61.14 H new ATOM 0 HG LEU A 440 29.351 13.188 -10.577 1.00 12.20 H new ATOM 0 HD11 LEU A 440 31.675 13.421 -9.732 1.00 44.41 H new ATOM 0 HD12 LEU A 440 30.824 14.983 -9.754 1.00 44.41 H new ATOM 0 HD13 LEU A 440 31.043 14.111 -8.219 1.00 44.41 H new ATOM 0 HD21 LEU A 440 30.442 11.337 -9.404 1.00 43.14 H new ATOM 0 HD22 LEU A 440 29.786 11.934 -7.861 1.00 43.14 H new ATOM 0 HD23 LEU A 440 28.684 11.356 -9.133 1.00 43.14 H new ATOM 1301 N ILE A 441 25.206 14.251 -7.517 1.00 43.10 N ATOM 1302 CA ILE A 441 24.252 15.195 -7.017 1.00 65.03 C ATOM 1303 C ILE A 441 24.682 15.684 -5.657 1.00 73.42 C ATOM 1304 O ILE A 441 24.956 14.886 -4.757 1.00 32.22 O ATOM 1305 CB ILE A 441 22.826 14.586 -6.907 1.00 63.20 C ATOM 1306 CG1 ILE A 441 22.440 13.910 -8.224 1.00 61.22 C ATOM 1307 CG2 ILE A 441 21.809 15.667 -6.527 1.00 11.32 C ATOM 1308 CD1 ILE A 441 21.026 13.393 -8.278 1.00 33.14 C ATOM 0 H ILE A 441 25.181 13.334 -7.071 1.00 43.10 H new ATOM 0 HA ILE A 441 24.213 16.022 -7.726 1.00 65.03 H new ATOM 0 HB ILE A 441 22.825 13.832 -6.120 1.00 63.20 H new ATOM 0 HG12 ILE A 441 22.583 14.622 -9.037 1.00 61.22 H new ATOM 0 HG13 ILE A 441 23.123 13.080 -8.404 1.00 61.22 H new ATOM 0 HG21 ILE A 441 20.816 15.223 -6.454 1.00 11.32 H new ATOM 0 HG22 ILE A 441 22.083 16.103 -5.566 1.00 11.32 H new ATOM 0 HG23 ILE A 441 21.803 16.446 -7.290 1.00 11.32 H new ATOM 0 HD11 ILE A 441 20.844 12.931 -9.248 1.00 33.14 H new ATOM 0 HD12 ILE A 441 20.879 12.654 -7.491 1.00 33.14 H new ATOM 0 HD13 ILE A 441 20.331 14.220 -8.134 1.00 33.14 H new ATOM 1320 N LYS A 442 24.758 16.971 -5.511 1.00 61.00 N ATOM 1321 CA LYS A 442 25.063 17.567 -4.249 1.00 33.20 C ATOM 1322 C LYS A 442 23.858 18.176 -3.646 1.00 2.43 C ATOM 1323 O LYS A 442 23.229 19.062 -4.229 1.00 62.22 O ATOM 1324 CB LYS A 442 26.168 18.617 -4.336 1.00 64.34 C ATOM 1325 CG LYS A 442 27.571 18.071 -4.409 1.00 51.15 C ATOM 1326 CD LYS A 442 27.860 17.219 -3.183 1.00 2.22 C ATOM 1327 CE LYS A 442 29.341 16.934 -3.017 1.00 42.32 C ATOM 1328 NZ LYS A 442 30.094 18.171 -2.687 1.00 72.11 N ATOM 0 H LYS A 442 24.610 17.639 -6.267 1.00 61.00 H new ATOM 0 HA LYS A 442 25.425 16.756 -3.616 1.00 33.20 H new ATOM 0 HB2 LYS A 442 25.990 19.236 -5.216 1.00 64.34 H new ATOM 0 HB3 LYS A 442 26.095 19.271 -3.467 1.00 64.34 H new ATOM 0 HG2 LYS A 442 27.692 17.475 -5.313 1.00 51.15 H new ATOM 0 HG3 LYS A 442 28.287 18.891 -4.470 1.00 51.15 H new ATOM 0 HD2 LYS A 442 27.488 17.728 -2.294 1.00 2.22 H new ATOM 0 HD3 LYS A 442 27.317 16.277 -3.262 1.00 2.22 H new ATOM 0 HE2 LYS A 442 29.485 16.196 -2.228 1.00 42.32 H new ATOM 0 HE3 LYS A 442 29.735 16.500 -3.936 1.00 42.32 H new ATOM 0 HZ1 LYS A 442 31.019 17.917 -2.286 1.00 72.11 H new ATOM 0 HZ2 LYS A 442 30.233 18.733 -3.551 1.00 72.11 H new ATOM 0 HZ3 LYS A 442 29.557 18.730 -1.993 1.00 72.11 H new ATOM 1342 N MET A 443 23.529 17.708 -2.495 1.00 10.32 N ATOM 1343 CA MET A 443 22.450 18.238 -1.738 1.00 24.35 C ATOM 1344 C MET A 443 22.861 18.389 -0.335 1.00 4.41 C ATOM 1345 O MET A 443 23.799 17.734 0.140 1.00 23.30 O ATOM 1346 CB MET A 443 21.169 17.385 -1.770 1.00 14.20 C ATOM 1347 CG MET A 443 20.416 17.354 -3.075 1.00 54.35 C ATOM 1348 SD MET A 443 18.820 16.523 -2.912 1.00 43.05 S ATOM 1349 CE MET A 443 18.001 17.563 -1.673 1.00 4.33 C ATOM 0 H MET A 443 24.011 16.931 -2.044 1.00 10.32 H new ATOM 0 HA MET A 443 22.210 19.194 -2.203 1.00 24.35 H new ATOM 0 HB2 MET A 443 21.434 16.362 -1.504 1.00 14.20 H new ATOM 0 HB3 MET A 443 20.495 17.752 -0.996 1.00 14.20 H new ATOM 0 HG2 MET A 443 20.260 18.373 -3.429 1.00 54.35 H new ATOM 0 HG3 MET A 443 21.016 16.843 -3.828 1.00 54.35 H new ATOM 0 HE1 MET A 443 16.928 17.370 -1.688 1.00 4.33 H new ATOM 0 HE2 MET A 443 18.398 17.332 -0.684 1.00 4.33 H new ATOM 0 HE3 MET A 443 18.184 18.613 -1.901 1.00 4.33 H new ATOM 1359 N LYS A 444 22.196 19.234 0.321 1.00 2.22 N ATOM 1360 CA LYS A 444 22.366 19.410 1.690 1.00 71.23 C ATOM 1361 C LYS A 444 21.014 19.637 2.274 1.00 11.22 C ATOM 1362 O LYS A 444 20.184 20.303 1.661 1.00 15.01 O ATOM 1363 CB LYS A 444 23.361 20.531 1.998 1.00 53.43 C ATOM 1364 CG LYS A 444 23.033 21.885 1.448 1.00 11.31 C ATOM 1365 CD LYS A 444 24.212 22.777 1.687 1.00 41.11 C ATOM 1366 CE LYS A 444 23.917 24.224 1.349 1.00 13.45 C ATOM 1367 NZ LYS A 444 25.090 25.095 1.581 1.00 52.43 N ATOM 0 H LYS A 444 21.493 19.845 -0.094 1.00 2.22 H new ATOM 0 HA LYS A 444 22.809 18.525 2.147 1.00 71.23 H new ATOM 0 HB2 LYS A 444 23.455 20.616 3.081 1.00 53.43 H new ATOM 0 HB3 LYS A 444 24.338 20.235 1.616 1.00 53.43 H new ATOM 0 HG2 LYS A 444 22.813 21.821 0.382 1.00 11.31 H new ATOM 0 HG3 LYS A 444 22.144 22.289 1.933 1.00 11.31 H new ATOM 0 HD2 LYS A 444 24.513 22.705 2.732 1.00 41.11 H new ATOM 0 HD3 LYS A 444 25.054 22.431 1.088 1.00 41.11 H new ATOM 0 HE2 LYS A 444 23.611 24.298 0.306 1.00 13.45 H new ATOM 0 HE3 LYS A 444 23.080 24.574 1.953 1.00 13.45 H new ATOM 0 HZ1 LYS A 444 24.847 26.077 1.338 1.00 52.43 H new ATOM 0 HZ2 LYS A 444 25.367 25.045 2.582 1.00 52.43 H new ATOM 0 HZ3 LYS A 444 25.882 24.777 0.986 1.00 52.43 H new ATOM 1381 N SER A 445 20.766 19.021 3.385 1.00 4.12 N ATOM 1382 CA SER A 445 19.496 19.082 4.029 1.00 41.51 C ATOM 1383 C SER A 445 19.669 18.637 5.460 1.00 14.43 C ATOM 1384 O SER A 445 20.643 17.953 5.758 1.00 54.51 O ATOM 1385 CB SER A 445 18.555 18.125 3.301 1.00 13.51 C ATOM 1386 OG SER A 445 19.088 16.803 3.270 1.00 14.44 O ATOM 0 H SER A 445 21.454 18.451 3.878 1.00 4.12 H new ATOM 0 HA SER A 445 19.088 20.093 4.008 1.00 41.51 H new ATOM 0 HB2 SER A 445 17.585 18.117 3.797 1.00 13.51 H new ATOM 0 HB3 SER A 445 18.390 18.477 2.283 1.00 13.51 H new ATOM 0 HG SER A 445 18.465 16.210 2.800 1.00 14.44 H new ATOM 1392 N PRO A 446 18.769 19.022 6.379 1.00 41.02 N ATOM 1393 CA PRO A 446 18.819 18.543 7.772 1.00 63.20 C ATOM 1394 C PRO A 446 18.576 17.029 7.820 1.00 61.43 C ATOM 1395 O PRO A 446 19.070 16.321 8.701 1.00 11.13 O ATOM 1396 CB PRO A 446 17.675 19.303 8.461 1.00 33.12 C ATOM 1397 CG PRO A 446 16.784 19.756 7.350 1.00 14.30 C ATOM 1398 CD PRO A 446 17.671 19.983 6.166 1.00 50.12 C ATOM 0 HA PRO A 446 19.783 18.715 8.251 1.00 63.20 H new ATOM 0 HB2 PRO A 446 17.139 18.660 9.159 1.00 33.12 H new ATOM 0 HB3 PRO A 446 18.053 20.150 9.034 1.00 33.12 H new ATOM 0 HG2 PRO A 446 16.025 19.005 7.129 1.00 14.30 H new ATOM 0 HG3 PRO A 446 16.257 20.671 7.622 1.00 14.30 H new ATOM 0 HD2 PRO A 446 17.147 19.795 5.229 1.00 50.12 H new ATOM 0 HD3 PRO A 446 18.036 21.009 6.127 1.00 50.12 H new