USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 513 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 426 ASN :FLIP amide:sc= -0.495 F(o=-1.8,f=-0.98) USER MOD Set 1.2: A 445 SER OG : rot 180:sc= -0.48 USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HE2:sc= 0.116 K(o=0.12,f=-1.3) USER MOD Set 3.1: A 374 TYR OH : rot 180:sc= -0.687 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.0113 X(o=-0.68,f=-0.69) USER MOD Single : A 365 THR OG1 : rot 23:sc= 0.11 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= -1.51! 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 381 ASN :FLIP amide:sc= -0.899 F(o=-2.3!,f=-0.9) USER MOD Single : A 386 SER OG : rot -25:sc= 0.165 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-2.8,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 398 ASN : amide:sc= 0.772 K(o=0.77,f=-0.12) USER MOD Single : A 401 LYS NZ :NH3+ 161:sc= -0.0739 (180deg=-0.415) USER MOD Single : A 402 TYR OH : rot -149:sc= -0.967 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.762 F(o=-3.8!,f=-0.76) USER MOD Single : A 415 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 419 THR OG1 : rot 49:sc= 0.395 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 CYS SG : rot 180:sc= -0.061 USER MOD Single : A 439 TYR OH : rot 180:sc= 0.995 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 153:sc= -0.624 (180deg=-2.92) USER MOD Single : A 444 LYS NZ :NH3+ -145:sc= 0.835 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.780 -3.031 -1.031 1.00 64.22 N ATOM 132 CA THR A 365 8.505 -3.281 0.343 1.00 20.12 C ATOM 133 C THR A 365 7.501 -4.410 0.388 1.00 34.21 C ATOM 134 O THR A 365 6.422 -4.299 -0.189 1.00 60.22 O ATOM 135 CB THR A 365 7.957 -2.032 1.043 1.00 35.23 C ATOM 136 OG1 THR A 365 8.888 -0.950 0.871 1.00 52.11 O ATOM 137 CG2 THR A 365 7.753 -2.291 2.531 1.00 74.42 C ATOM 0 HA THR A 365 9.420 -3.550 0.872 1.00 20.12 H new ATOM 0 HB THR A 365 6.994 -1.776 0.601 1.00 35.23 H new ATOM 0 HG1 THR A 365 9.448 -1.122 0.086 1.00 52.11 H new ATOM 0 HG21 THR A 365 7.364 -1.391 3.007 1.00 74.42 H new ATOM 0 HG22 THR A 365 7.044 -3.108 2.664 1.00 74.42 H new ATOM 0 HG23 THR A 365 8.706 -2.560 2.987 1.00 74.42 H new ATOM 143 N LYS A 366 7.855 -5.497 1.021 1.00 31.41 N ATOM 144 CA LYS A 366 7.001 -6.643 1.043 1.00 23.44 C ATOM 145 C LYS A 366 7.033 -7.344 2.374 1.00 51.41 C ATOM 146 O LYS A 366 8.089 -7.428 3.019 1.00 43.23 O ATOM 147 CB LYS A 366 7.336 -7.578 -0.116 1.00 61.04 C ATOM 148 CG LYS A 366 8.752 -8.081 -0.146 1.00 2.33 C ATOM 149 CD LYS A 366 9.075 -8.693 -1.495 1.00 42.21 C ATOM 150 CE LYS A 366 8.166 -9.865 -1.858 1.00 32.41 C ATOM 151 NZ LYS A 366 8.564 -10.498 -3.144 1.00 15.33 N ATOM 0 H LYS A 366 8.733 -5.608 1.528 1.00 31.41 H new ATOM 0 HA LYS A 366 5.974 -6.304 0.908 1.00 23.44 H new ATOM 0 HB2 LYS A 366 6.664 -8.435 -0.076 1.00 61.04 H new ATOM 0 HB3 LYS A 366 7.133 -7.057 -1.052 1.00 61.04 H new ATOM 0 HG2 LYS A 366 9.439 -7.260 0.060 1.00 2.33 H new ATOM 0 HG3 LYS A 366 8.896 -8.823 0.639 1.00 2.33 H new ATOM 0 HD2 LYS A 366 8.991 -7.925 -2.264 1.00 42.21 H new ATOM 0 HD3 LYS A 366 10.111 -9.032 -1.494 1.00 42.21 H new ATOM 0 HE2 LYS A 366 8.198 -10.609 -1.062 1.00 32.41 H new ATOM 0 HE3 LYS A 366 7.135 -9.517 -1.928 1.00 32.41 H new ATOM 0 HZ1 LYS A 366 7.923 -11.289 -3.355 1.00 15.33 H new ATOM 0 HZ2 LYS A 366 8.510 -9.795 -3.908 1.00 15.33 H new ATOM 0 HZ3 LYS A 366 9.539 -10.853 -3.069 1.00 15.33 H new ATOM 165 N ARG A 367 5.879 -7.813 2.793 1.00 25.45 N ATOM 166 CA ARG A 367 5.712 -8.478 4.065 1.00 32.21 C ATOM 167 C ARG A 367 4.438 -9.321 4.023 1.00 71.55 C ATOM 168 O ARG A 367 3.393 -8.857 3.560 1.00 41.25 O ATOM 169 CB ARG A 367 5.725 -7.400 5.196 1.00 24.41 C ATOM 170 CG ARG A 367 5.541 -7.871 6.643 1.00 44.44 C ATOM 171 CD ARG A 367 4.089 -7.963 7.057 1.00 63.40 C ATOM 172 NE ARG A 367 3.944 -8.359 8.464 1.00 2.24 N ATOM 173 CZ ARG A 367 2.885 -8.095 9.242 1.00 20.45 C ATOM 174 NH1 ARG A 367 1.898 -7.320 8.798 1.00 40.40 N ATOM 175 NH2 ARG A 367 2.830 -8.579 10.473 1.00 50.24 N ATOM 0 H ARG A 367 5.018 -7.742 2.251 1.00 25.45 H new ATOM 0 HA ARG A 367 6.529 -9.167 4.277 1.00 32.21 H new ATOM 0 HB2 ARG A 367 6.673 -6.866 5.137 1.00 24.41 H new ATOM 0 HB3 ARG A 367 4.938 -6.678 4.978 1.00 24.41 H new ATOM 0 HG2 ARG A 367 6.009 -8.848 6.763 1.00 44.44 H new ATOM 0 HG3 ARG A 367 6.060 -7.184 7.311 1.00 44.44 H new ATOM 0 HD2 ARG A 367 3.605 -6.999 6.900 1.00 63.40 H new ATOM 0 HD3 ARG A 367 3.576 -8.685 6.422 1.00 63.40 H new ATOM 0 HE ARG A 367 4.714 -8.879 8.885 1.00 2.24 H new ATOM 0 HH11 ARG A 367 1.944 -6.923 7.860 1.00 40.40 H new ATOM 0 HH12 ARG A 367 1.095 -7.124 9.396 1.00 40.40 H new ATOM 0 HH21 ARG A 367 3.594 -9.153 10.830 1.00 50.24 H new ATOM 0 HH22 ARG A 367 2.024 -8.378 11.065 1.00 50.24 H new ATOM 187 N GLU A 368 4.547 -10.559 4.457 1.00 52.42 N ATOM 188 CA GLU A 368 3.436 -11.499 4.445 1.00 20.53 C ATOM 189 C GLU A 368 2.500 -11.222 5.585 1.00 24.23 C ATOM 190 O GLU A 368 2.929 -11.075 6.729 1.00 0.15 O ATOM 191 CB GLU A 368 3.936 -12.947 4.476 1.00 71.01 C ATOM 192 CG GLU A 368 4.794 -13.307 3.275 1.00 43.52 C ATOM 193 CD GLU A 368 5.265 -14.738 3.280 1.00 5.34 C ATOM 194 OE1 GLU A 368 4.536 -15.623 2.784 1.00 54.22 O ATOM 195 OE2 GLU A 368 6.384 -15.006 3.772 1.00 44.11 O ATOM 0 H GLU A 368 5.413 -10.948 4.831 1.00 52.42 H new ATOM 0 HA GLU A 368 2.885 -11.364 3.514 1.00 20.53 H new ATOM 0 HB2 GLU A 368 4.512 -13.107 5.387 1.00 71.01 H new ATOM 0 HB3 GLU A 368 3.080 -13.620 4.518 1.00 71.01 H new ATOM 0 HG2 GLU A 368 4.225 -13.123 2.364 1.00 43.52 H new ATOM 0 HG3 GLU A 368 5.661 -12.647 3.247 1.00 43.52 H new ATOM 202 N ILE A 369 1.230 -11.126 5.277 1.00 14.24 N ATOM 203 CA ILE A 369 0.229 -10.793 6.245 1.00 44.21 C ATOM 204 C ILE A 369 -0.913 -11.737 6.030 1.00 74.31 C ATOM 205 O ILE A 369 -1.424 -11.825 4.929 1.00 43.42 O ATOM 206 CB ILE A 369 -0.274 -9.344 6.016 1.00 1.02 C ATOM 207 CG1 ILE A 369 0.910 -8.404 5.890 1.00 51.40 C ATOM 208 CG2 ILE A 369 -1.154 -8.907 7.180 1.00 61.31 C ATOM 209 CD1 ILE A 369 0.563 -6.993 5.555 1.00 20.33 C ATOM 0 H ILE A 369 0.865 -11.279 4.337 1.00 14.24 H new ATOM 0 HA ILE A 369 0.634 -10.867 7.254 1.00 44.21 H new ATOM 0 HB ILE A 369 -0.859 -9.313 5.097 1.00 1.02 H new ATOM 0 HG12 ILE A 369 1.463 -8.413 6.829 1.00 51.40 H new ATOM 0 HG13 ILE A 369 1.580 -8.789 5.122 1.00 51.40 H new ATOM 0 HG21 ILE A 369 -1.502 -7.888 7.010 1.00 61.31 H new ATOM 0 HG22 ILE A 369 -2.011 -9.575 7.259 1.00 61.31 H new ATOM 0 HG23 ILE A 369 -0.579 -8.944 8.105 1.00 61.31 H new ATOM 0 HD11 ILE A 369 1.475 -6.400 5.487 1.00 20.33 H new ATOM 0 HD12 ILE A 369 0.039 -6.964 4.599 1.00 20.33 H new ATOM 0 HD13 ILE A 369 -0.080 -6.582 6.333 1.00 20.33 H new ATOM 216 N GLY A 370 -1.267 -12.489 7.040 1.00 11.11 N ATOM 217 CA GLY A 370 -2.362 -13.435 6.916 1.00 73.21 C ATOM 218 C GLY A 370 -2.052 -14.567 5.945 1.00 22.35 C ATOM 219 O GLY A 370 -2.946 -15.318 5.553 1.00 24.43 O ATOM 0 H GLY A 370 -0.820 -12.470 7.956 1.00 11.11 H new ATOM 0 HA2 GLY A 370 -2.588 -13.854 7.897 1.00 73.21 H new ATOM 0 HA3 GLY A 370 -3.256 -12.909 6.581 1.00 73.21 H new ATOM 223 N GLY A 371 -0.794 -14.673 5.546 1.00 42.53 N ATOM 224 CA GLY A 371 -0.387 -15.708 4.648 1.00 13.42 C ATOM 225 C GLY A 371 -0.013 -15.186 3.284 1.00 70.13 C ATOM 226 O GLY A 371 0.740 -15.821 2.559 1.00 54.03 O ATOM 0 H GLY A 371 -0.045 -14.046 5.839 1.00 42.53 H new ATOM 0 HA2 GLY A 371 0.464 -16.239 5.075 1.00 13.42 H new ATOM 0 HA3 GLY A 371 -1.195 -16.432 4.546 1.00 13.42 H new ATOM 230 N TYR A 372 -0.524 -14.034 2.931 1.00 61.44 N ATOM 231 CA TYR A 372 -0.275 -13.470 1.631 1.00 43.10 C ATOM 232 C TYR A 372 0.779 -12.373 1.695 1.00 72.35 C ATOM 233 O TYR A 372 0.822 -11.604 2.649 1.00 22.34 O ATOM 234 CB TYR A 372 -1.591 -12.988 0.992 1.00 74.05 C ATOM 235 CG TYR A 372 -2.454 -12.136 1.897 1.00 62.03 C ATOM 236 CD1 TYR A 372 -2.176 -10.809 2.104 1.00 2.50 C ATOM 237 CD2 TYR A 372 -3.559 -12.683 2.547 1.00 50.15 C ATOM 238 CE1 TYR A 372 -2.957 -10.042 2.925 1.00 31.34 C ATOM 239 CE2 TYR A 372 -4.349 -11.916 3.372 1.00 1.34 C ATOM 240 CZ TYR A 372 -4.040 -10.592 3.558 1.00 14.24 C ATOM 241 OH TYR A 372 -4.826 -9.809 4.380 1.00 1.34 O ATOM 0 H TYR A 372 -1.120 -13.465 3.532 1.00 61.44 H new ATOM 0 HA TYR A 372 0.132 -14.249 0.986 1.00 43.10 H new ATOM 0 HB2 TYR A 372 -1.356 -12.418 0.093 1.00 74.05 H new ATOM 0 HB3 TYR A 372 -2.167 -13.858 0.676 1.00 74.05 H new ATOM 0 HD1 TYR A 372 -1.326 -10.362 1.610 1.00 2.50 H new ATOM 0 HD2 TYR A 372 -3.799 -13.726 2.401 1.00 50.15 H new ATOM 0 HE1 TYR A 372 -2.719 -8.999 3.074 1.00 31.34 H new ATOM 0 HE2 TYR A 372 -5.204 -12.352 3.868 1.00 1.34 H new ATOM 0 HH TYR A 372 -5.553 -10.351 4.751 1.00 1.34 H new ATOM 251 N THR A 373 1.631 -12.314 0.700 1.00 42.23 N ATOM 252 CA THR A 373 2.682 -11.330 0.668 1.00 52.15 C ATOM 253 C THR A 373 2.154 -10.002 0.158 1.00 3.14 C ATOM 254 O THR A 373 1.693 -9.908 -0.973 1.00 30.33 O ATOM 255 CB THR A 373 3.863 -11.783 -0.239 1.00 43.44 C ATOM 256 OG1 THR A 373 4.389 -13.043 0.220 1.00 35.45 O ATOM 257 CG2 THR A 373 4.983 -10.748 -0.226 1.00 52.53 C ATOM 0 H THR A 373 1.615 -12.942 -0.104 1.00 42.23 H new ATOM 0 HA THR A 373 3.045 -11.217 1.689 1.00 52.15 H new ATOM 0 HB THR A 373 3.483 -11.889 -1.255 1.00 43.44 H new ATOM 0 HG1 THR A 373 5.130 -13.319 -0.359 1.00 35.45 H new ATOM 0 HG21 THR A 373 5.798 -11.086 -0.867 1.00 52.53 H new ATOM 0 HG22 THR A 373 4.602 -9.795 -0.595 1.00 52.53 H new ATOM 0 HG23 THR A 373 5.350 -10.622 0.792 1.00 52.53 H new ATOM 263 N TYR A 374 2.208 -8.995 0.980 1.00 4.45 N ATOM 264 CA TYR A 374 1.849 -7.691 0.546 1.00 25.04 C ATOM 265 C TYR A 374 3.070 -7.017 0.027 1.00 50.11 C ATOM 266 O TYR A 374 4.119 -7.082 0.653 1.00 74.42 O ATOM 267 CB TYR A 374 1.245 -6.881 1.668 1.00 45.25 C ATOM 268 CG TYR A 374 -0.187 -6.581 1.429 1.00 54.41 C ATOM 269 CD1 TYR A 374 -0.546 -5.624 0.503 1.00 50.50 C ATOM 270 CD2 TYR A 374 -1.180 -7.247 2.102 1.00 62.43 C ATOM 271 CE1 TYR A 374 -1.841 -5.335 0.254 1.00 32.41 C ATOM 272 CE2 TYR A 374 -2.508 -6.957 1.853 1.00 1.01 C ATOM 273 CZ TYR A 374 -2.832 -6.008 0.935 1.00 44.34 C ATOM 274 OH TYR A 374 -4.155 -5.728 0.698 1.00 42.34 O ATOM 0 H TYR A 374 2.499 -9.059 1.956 1.00 4.45 H new ATOM 0 HA TYR A 374 1.095 -7.771 -0.237 1.00 25.04 H new ATOM 0 HB2 TYR A 374 1.349 -7.427 2.606 1.00 45.25 H new ATOM 0 HB3 TYR A 374 1.797 -5.948 1.779 1.00 45.25 H new ATOM 0 HD1 TYR A 374 0.226 -5.094 -0.035 1.00 50.50 H new ATOM 0 HD2 TYR A 374 -0.922 -8.002 2.830 1.00 62.43 H new ATOM 0 HE1 TYR A 374 -2.099 -4.581 -0.475 1.00 32.41 H new ATOM 0 HE2 TYR A 374 -3.286 -7.483 2.386 1.00 1.01 H new ATOM 0 HH TYR A 374 -4.716 -6.297 1.265 1.00 42.34 H new ATOM 284 N LYS A 375 2.956 -6.398 -1.112 1.00 72.23 N ATOM 285 CA LYS A 375 4.104 -5.779 -1.731 1.00 22.32 C ATOM 286 C LYS A 375 3.736 -4.432 -2.270 1.00 43.11 C ATOM 287 O LYS A 375 2.798 -4.310 -3.032 1.00 22.51 O ATOM 288 CB LYS A 375 4.640 -6.629 -2.886 1.00 2.33 C ATOM 289 CG LYS A 375 5.976 -6.124 -3.429 1.00 21.34 C ATOM 290 CD LYS A 375 6.416 -6.890 -4.648 1.00 12.12 C ATOM 291 CE LYS A 375 5.572 -6.548 -5.863 1.00 21.51 C ATOM 292 NZ LYS A 375 5.994 -7.318 -7.047 1.00 32.31 N ATOM 0 H LYS A 375 2.085 -6.306 -1.634 1.00 72.23 H new ATOM 0 HA LYS A 375 4.875 -5.685 -0.966 1.00 22.32 H new ATOM 0 HB2 LYS A 375 4.757 -7.659 -2.548 1.00 2.33 H new ATOM 0 HB3 LYS A 375 3.907 -6.640 -3.693 1.00 2.33 H new ATOM 0 HG2 LYS A 375 5.890 -5.066 -3.677 1.00 21.34 H new ATOM 0 HG3 LYS A 375 6.737 -6.208 -2.654 1.00 21.34 H new ATOM 0 HD2 LYS A 375 7.462 -6.669 -4.858 1.00 12.12 H new ATOM 0 HD3 LYS A 375 6.350 -7.960 -4.449 1.00 12.12 H new ATOM 0 HE2 LYS A 375 4.523 -6.754 -5.649 1.00 21.51 H new ATOM 0 HE3 LYS A 375 5.651 -5.482 -6.074 1.00 21.51 H new ATOM 0 HZ1 LYS A 375 5.397 -7.061 -7.859 1.00 32.31 H new ATOM 0 HZ2 LYS A 375 6.988 -7.102 -7.265 1.00 32.31 H new ATOM 0 HZ3 LYS A 375 5.895 -8.335 -6.853 1.00 32.31 H new ATOM 306 N VAL A 376 4.473 -3.448 -1.899 1.00 23.05 N ATOM 307 CA VAL A 376 4.259 -2.121 -2.386 1.00 74.24 C ATOM 308 C VAL A 376 5.510 -1.610 -3.105 1.00 34.25 C ATOM 309 O VAL A 376 6.613 -1.580 -2.534 1.00 11.53 O ATOM 310 CB VAL A 376 3.810 -1.145 -1.236 1.00 12.52 C ATOM 311 CG1 VAL A 376 4.795 -1.143 -0.099 1.00 73.32 C ATOM 312 CG2 VAL A 376 3.625 0.270 -1.750 1.00 54.31 C ATOM 0 H VAL A 376 5.250 -3.535 -1.244 1.00 23.05 H new ATOM 0 HA VAL A 376 3.442 -2.152 -3.107 1.00 74.24 H new ATOM 0 HB VAL A 376 2.852 -1.513 -0.869 1.00 12.52 H new ATOM 0 HG11 VAL A 376 4.453 -0.458 0.677 1.00 73.32 H new ATOM 0 HG12 VAL A 376 4.876 -2.148 0.314 1.00 73.32 H new ATOM 0 HG13 VAL A 376 5.771 -0.821 -0.463 1.00 73.32 H new ATOM 0 HG21 VAL A 376 3.315 0.917 -0.930 1.00 54.31 H new ATOM 0 HG22 VAL A 376 4.566 0.633 -2.163 1.00 54.31 H new ATOM 0 HG23 VAL A 376 2.861 0.278 -2.527 1.00 54.31 H new ATOM 318 N VAL A 377 5.361 -1.297 -4.380 1.00 12.23 N ATOM 319 CA VAL A 377 6.425 -0.672 -5.112 1.00 31.11 C ATOM 320 C VAL A 377 5.979 0.743 -5.390 1.00 4.02 C ATOM 321 O VAL A 377 4.996 0.976 -6.115 1.00 43.34 O ATOM 322 CB VAL A 377 6.764 -1.416 -6.434 1.00 33.45 C ATOM 323 CG1 VAL A 377 7.912 -0.715 -7.162 1.00 13.54 C ATOM 324 CG2 VAL A 377 7.138 -2.867 -6.150 1.00 52.34 C ATOM 0 H VAL A 377 4.513 -1.469 -4.920 1.00 12.23 H new ATOM 0 HA VAL A 377 7.343 -0.698 -4.524 1.00 31.11 H new ATOM 0 HB VAL A 377 5.880 -1.400 -7.071 1.00 33.45 H new ATOM 0 HG11 VAL A 377 8.137 -1.249 -8.086 1.00 13.54 H new ATOM 0 HG12 VAL A 377 7.623 0.310 -7.396 1.00 13.54 H new ATOM 0 HG13 VAL A 377 8.796 -0.706 -6.524 1.00 13.54 H new ATOM 0 HG21 VAL A 377 7.372 -3.372 -7.087 1.00 52.34 H new ATOM 0 HG22 VAL A 377 8.008 -2.897 -5.494 1.00 52.34 H new ATOM 0 HG23 VAL A 377 6.301 -3.370 -5.666 1.00 52.34 H new ATOM 330 N PHE A 378 6.702 1.667 -4.831 1.00 12.11 N ATOM 331 CA PHE A 378 6.327 3.067 -4.808 1.00 11.13 C ATOM 332 C PHE A 378 6.302 3.709 -6.182 1.00 10.51 C ATOM 333 O PHE A 378 7.206 3.508 -6.999 1.00 14.33 O ATOM 334 CB PHE A 378 7.223 3.825 -3.866 1.00 54.14 C ATOM 335 CG PHE A 378 7.210 3.291 -2.456 1.00 3.31 C ATOM 336 CD1 PHE A 378 8.049 2.246 -2.087 1.00 23.24 C ATOM 337 CD2 PHE A 378 6.371 3.832 -1.502 1.00 63.33 C ATOM 338 CE1 PHE A 378 8.046 1.759 -0.798 1.00 11.41 C ATOM 339 CE2 PHE A 378 6.364 3.347 -0.209 1.00 3.51 C ATOM 340 CZ PHE A 378 7.203 2.310 0.142 1.00 21.52 C ATOM 0 H PHE A 378 7.589 1.474 -4.366 1.00 12.11 H new ATOM 0 HA PHE A 378 5.300 3.115 -4.445 1.00 11.13 H new ATOM 0 HB2 PHE A 378 8.244 3.796 -4.247 1.00 54.14 H new ATOM 0 HB3 PHE A 378 6.918 4.871 -3.852 1.00 54.14 H new ATOM 0 HD1 PHE A 378 8.712 1.810 -2.820 1.00 23.24 H new ATOM 0 HD2 PHE A 378 5.712 4.645 -1.770 1.00 63.33 H new ATOM 0 HE1 PHE A 378 8.703 0.947 -0.525 1.00 11.41 H new ATOM 0 HE2 PHE A 378 5.702 3.779 0.527 1.00 3.51 H new ATOM 0 HZ PHE A 378 7.199 1.930 1.153 1.00 21.52 H new ATOM 350 N TYR A 379 5.232 4.487 -6.415 1.00 22.10 N ATOM 351 CA TYR A 379 4.947 5.149 -7.679 1.00 31.21 C ATOM 352 C TYR A 379 4.671 4.157 -8.802 1.00 71.31 C ATOM 353 O TYR A 379 4.582 4.531 -9.967 1.00 40.20 O ATOM 354 CB TYR A 379 6.000 6.213 -8.045 1.00 45.20 C ATOM 355 CG TYR A 379 5.980 7.424 -7.122 1.00 73.53 C ATOM 356 CD1 TYR A 379 6.715 7.443 -5.945 1.00 13.33 C ATOM 357 CD2 TYR A 379 5.218 8.546 -7.435 1.00 4.13 C ATOM 358 CE1 TYR A 379 6.692 8.541 -5.102 1.00 13.10 C ATOM 359 CE2 TYR A 379 5.187 9.650 -6.599 1.00 3.02 C ATOM 360 CZ TYR A 379 5.927 9.642 -5.435 1.00 10.43 C ATOM 361 OH TYR A 379 5.909 10.744 -4.601 1.00 14.12 O ATOM 0 H TYR A 379 4.527 4.672 -5.702 1.00 22.10 H new ATOM 0 HA TYR A 379 4.018 5.702 -7.538 1.00 31.21 H new ATOM 0 HB2 TYR A 379 6.990 5.759 -8.015 1.00 45.20 H new ATOM 0 HB3 TYR A 379 5.831 6.543 -9.070 1.00 45.20 H new ATOM 0 HD1 TYR A 379 7.316 6.585 -5.682 1.00 13.33 H new ATOM 0 HD2 TYR A 379 4.640 8.556 -8.347 1.00 4.13 H new ATOM 0 HE1 TYR A 379 7.269 8.537 -4.189 1.00 13.10 H new ATOM 0 HE2 TYR A 379 4.588 10.511 -6.857 1.00 3.02 H new ATOM 0 HH TYR A 379 5.323 11.432 -4.980 1.00 14.12 H new ATOM 371 N GLU A 380 4.489 2.895 -8.438 1.00 63.24 N ATOM 372 CA GLU A 380 4.141 1.875 -9.390 1.00 44.14 C ATOM 373 C GLU A 380 2.846 1.167 -9.037 1.00 21.10 C ATOM 374 O GLU A 380 1.768 1.571 -9.491 1.00 22.34 O ATOM 375 CB GLU A 380 5.277 0.866 -9.647 1.00 70.11 C ATOM 376 CG GLU A 380 6.439 1.431 -10.435 1.00 12.20 C ATOM 377 CD GLU A 380 7.517 0.416 -10.734 1.00 3.15 C ATOM 378 OE1 GLU A 380 7.266 -0.526 -11.522 1.00 52.21 O ATOM 379 OE2 GLU A 380 8.635 0.542 -10.204 1.00 71.32 O ATOM 0 H GLU A 380 4.580 2.561 -7.478 1.00 63.24 H new ATOM 0 HA GLU A 380 3.979 2.406 -10.328 1.00 44.14 H new ATOM 0 HB2 GLU A 380 5.646 0.499 -8.689 1.00 70.11 H new ATOM 0 HB3 GLU A 380 4.872 0.008 -10.183 1.00 70.11 H new ATOM 0 HG2 GLU A 380 6.066 1.840 -11.374 1.00 12.20 H new ATOM 0 HG3 GLU A 380 6.876 2.260 -9.878 1.00 12.20 H new ATOM 386 N ASN A 381 2.934 0.167 -8.181 1.00 73.01 N ATOM 387 CA ASN A 381 1.797 -0.707 -7.898 1.00 51.44 C ATOM 388 C ASN A 381 2.001 -1.570 -6.654 1.00 24.52 C ATOM 389 O ASN A 381 3.141 -1.838 -6.247 1.00 32.10 O ATOM 390 CB ASN A 381 1.463 -1.580 -9.143 1.00 34.44 C ATOM 391 CG ASN A 381 2.692 -2.262 -9.791 1.00 60.22 C ATOM 392 OD1 ASN A 381 3.700 -2.591 -9.016 1.00 44.14 O flip ATOM 393 ND2 ASN A 381 2.710 -2.491 -10.997 1.00 12.21 N flip ATOM 0 H ASN A 381 3.782 -0.066 -7.664 1.00 73.01 H new ATOM 0 HA ASN A 381 0.946 -0.062 -7.679 1.00 51.44 H new ATOM 0 HB2 ASN A 381 0.747 -2.349 -8.852 1.00 34.44 H new ATOM 0 HB3 ASN A 381 0.973 -0.955 -9.890 1.00 34.44 H new ATOM 0 HD21 ASN A 381 1.915 -2.226 -11.578 1.00 12.21 H new ATOM 0 HD22 ASN A 381 3.520 -2.946 -11.418 1.00 12.21 H new ATOM 399 N VAL A 382 0.891 -1.996 -6.078 1.00 23.30 N ATOM 400 CA VAL A 382 0.853 -2.818 -4.865 1.00 23.33 C ATOM 401 C VAL A 382 0.267 -4.181 -5.204 1.00 41.01 C ATOM 402 O VAL A 382 -0.583 -4.287 -6.092 1.00 31.40 O ATOM 403 CB VAL A 382 -0.026 -2.146 -3.758 1.00 54.14 C ATOM 404 CG1 VAL A 382 -0.084 -2.975 -2.478 1.00 22.23 C ATOM 405 CG2 VAL A 382 0.497 -0.783 -3.447 1.00 65.21 C ATOM 0 H VAL A 382 -0.036 -1.779 -6.444 1.00 23.30 H new ATOM 0 HA VAL A 382 1.870 -2.922 -4.486 1.00 23.33 H new ATOM 0 HB VAL A 382 -1.040 -2.077 -4.152 1.00 54.14 H new ATOM 0 HG11 VAL A 382 -0.706 -2.465 -1.742 1.00 22.23 H new ATOM 0 HG12 VAL A 382 -0.510 -3.954 -2.698 1.00 22.23 H new ATOM 0 HG13 VAL A 382 0.923 -3.099 -2.079 1.00 22.23 H new ATOM 0 HG21 VAL A 382 -0.121 -0.323 -2.676 1.00 65.21 H new ATOM 0 HG22 VAL A 382 1.524 -0.860 -3.091 1.00 65.21 H new ATOM 0 HG23 VAL A 382 0.470 -0.169 -4.347 1.00 65.21 H new ATOM 411 N PHE A 383 0.722 -5.205 -4.519 1.00 41.23 N ATOM 412 CA PHE A 383 0.281 -6.563 -4.745 1.00 32.12 C ATOM 413 C PHE A 383 -0.016 -7.287 -3.453 1.00 21.23 C ATOM 414 O PHE A 383 0.622 -7.044 -2.431 1.00 54.35 O ATOM 415 CB PHE A 383 1.337 -7.350 -5.535 1.00 5.42 C ATOM 416 CG PHE A 383 1.485 -6.893 -6.947 1.00 52.21 C ATOM 417 CD1 PHE A 383 2.300 -5.828 -7.256 1.00 54.30 C ATOM 418 CD2 PHE A 383 0.789 -7.515 -7.963 1.00 72.33 C ATOM 419 CE1 PHE A 383 2.423 -5.391 -8.541 1.00 31.42 C ATOM 420 CE2 PHE A 383 0.904 -7.076 -9.260 1.00 31.21 C ATOM 421 CZ PHE A 383 1.727 -6.008 -9.549 1.00 22.34 C ATOM 0 H PHE A 383 1.418 -5.117 -3.779 1.00 41.23 H new ATOM 0 HA PHE A 383 -0.642 -6.502 -5.322 1.00 32.12 H new ATOM 0 HB2 PHE A 383 2.299 -7.261 -5.030 1.00 5.42 H new ATOM 0 HB3 PHE A 383 1.071 -8.407 -5.529 1.00 5.42 H new ATOM 0 HD1 PHE A 383 2.849 -5.332 -6.470 1.00 54.30 H new ATOM 0 HD2 PHE A 383 0.148 -8.354 -7.737 1.00 72.33 H new ATOM 0 HE1 PHE A 383 3.070 -4.556 -8.766 1.00 31.42 H new ATOM 0 HE2 PHE A 383 0.352 -7.565 -10.049 1.00 31.21 H new ATOM 0 HZ PHE A 383 1.823 -5.658 -10.566 1.00 22.34 H new ATOM 431 N GLN A 384 -1.005 -8.137 -3.509 1.00 64.24 N ATOM 432 CA GLN A 384 -1.331 -9.043 -2.448 1.00 53.32 C ATOM 433 C GLN A 384 -1.127 -10.429 -3.009 1.00 61.12 C ATOM 434 O GLN A 384 -1.963 -10.912 -3.772 1.00 53.24 O ATOM 435 CB GLN A 384 -2.785 -8.893 -2.018 1.00 60.24 C ATOM 436 CG GLN A 384 -3.190 -9.804 -0.874 1.00 70.22 C ATOM 437 CD GLN A 384 -4.681 -9.824 -0.640 1.00 22.51 C ATOM 438 OE1 GLN A 384 -5.405 -10.629 -1.223 1.00 42.34 O ATOM 439 NE2 GLN A 384 -5.147 -8.954 0.197 1.00 5.55 N ATOM 0 H GLN A 384 -1.622 -8.219 -4.317 1.00 64.24 H new ATOM 0 HA GLN A 384 -0.709 -8.846 -1.575 1.00 53.32 H new ATOM 0 HB2 GLN A 384 -2.961 -7.858 -1.724 1.00 60.24 H new ATOM 0 HB3 GLN A 384 -3.429 -9.095 -2.874 1.00 60.24 H new ATOM 0 HG2 GLN A 384 -2.846 -10.817 -1.084 1.00 70.22 H new ATOM 0 HG3 GLN A 384 -2.688 -9.479 0.038 1.00 70.22 H new ATOM 0 HE21 GLN A 384 -4.514 -8.303 0.661 1.00 5.55 H new ATOM 0 HE22 GLN A 384 -6.147 -8.920 0.393 1.00 5.55 H new ATOM 447 N ASP A 385 -0.003 -11.024 -2.690 1.00 44.34 N ATOM 448 CA ASP A 385 0.402 -12.351 -3.193 1.00 54.11 C ATOM 449 C ASP A 385 0.771 -12.256 -4.667 1.00 33.11 C ATOM 450 O ASP A 385 1.942 -12.112 -5.030 1.00 20.13 O ATOM 451 CB ASP A 385 -0.701 -13.413 -2.977 1.00 51.44 C ATOM 452 CG ASP A 385 -0.300 -14.803 -3.419 1.00 52.43 C ATOM 453 OD1 ASP A 385 0.328 -15.543 -2.618 1.00 13.51 O ATOM 454 OD2 ASP A 385 -0.611 -15.175 -4.563 1.00 4.04 O ATOM 0 H ASP A 385 0.683 -10.605 -2.061 1.00 44.34 H new ATOM 0 HA ASP A 385 1.274 -12.672 -2.623 1.00 54.11 H new ATOM 0 HB2 ASP A 385 -0.966 -13.439 -1.920 1.00 51.44 H new ATOM 0 HB3 ASP A 385 -1.595 -13.112 -3.522 1.00 51.44 H new ATOM 459 N SER A 386 -0.229 -12.295 -5.488 1.00 33.23 N ATOM 460 CA SER A 386 -0.088 -12.151 -6.901 1.00 61.35 C ATOM 461 C SER A 386 -1.223 -11.263 -7.408 1.00 53.14 C ATOM 462 O SER A 386 -1.292 -10.908 -8.586 1.00 14.33 O ATOM 463 CB SER A 386 -0.116 -13.535 -7.567 1.00 64.14 C ATOM 464 OG SER A 386 0.072 -13.460 -8.969 1.00 53.41 O ATOM 0 H SER A 386 -1.193 -12.432 -5.185 1.00 33.23 H new ATOM 0 HA SER A 386 0.865 -11.685 -7.150 1.00 61.35 H new ATOM 0 HB2 SER A 386 0.662 -14.161 -7.131 1.00 64.14 H new ATOM 0 HB3 SER A 386 -1.070 -14.018 -7.356 1.00 64.14 H new ATOM 0 HG SER A 386 -0.217 -12.581 -9.291 1.00 53.41 H new ATOM 470 N ILE A 387 -2.102 -10.888 -6.497 1.00 0.21 N ATOM 471 CA ILE A 387 -3.223 -10.044 -6.829 1.00 1.01 C ATOM 472 C ILE A 387 -2.737 -8.617 -6.967 1.00 22.54 C ATOM 473 O ILE A 387 -2.004 -8.127 -6.108 1.00 74.44 O ATOM 474 CB ILE A 387 -4.311 -10.084 -5.710 1.00 11.43 C ATOM 475 CG1 ILE A 387 -4.821 -11.516 -5.473 1.00 31.13 C ATOM 476 CG2 ILE A 387 -5.471 -9.137 -6.013 1.00 14.44 C ATOM 477 CD1 ILE A 387 -5.455 -12.162 -6.666 1.00 73.44 C ATOM 0 H ILE A 387 -2.056 -11.160 -5.515 1.00 0.21 H new ATOM 0 HA ILE A 387 -3.660 -10.405 -7.760 1.00 1.01 H new ATOM 0 HB ILE A 387 -3.836 -9.740 -4.792 1.00 11.43 H new ATOM 0 HG12 ILE A 387 -3.986 -12.134 -5.143 1.00 31.13 H new ATOM 0 HG13 ILE A 387 -5.545 -11.499 -4.659 1.00 31.13 H new ATOM 0 HG21 ILE A 387 -6.207 -9.194 -5.211 1.00 14.44 H new ATOM 0 HG22 ILE A 387 -5.097 -8.116 -6.090 1.00 14.44 H new ATOM 0 HG23 ILE A 387 -5.938 -9.424 -6.955 1.00 14.44 H new ATOM 0 HD11 ILE A 387 -5.783 -13.168 -6.404 1.00 73.44 H new ATOM 0 HD12 ILE A 387 -6.314 -11.572 -6.986 1.00 73.44 H new ATOM 0 HD13 ILE A 387 -4.730 -12.217 -7.478 1.00 73.44 H new ATOM 484 N LEU A 388 -3.132 -7.957 -8.026 1.00 74.34 N ATOM 485 CA LEU A 388 -2.805 -6.571 -8.193 1.00 41.43 C ATOM 486 C LEU A 388 -3.721 -5.797 -7.286 1.00 63.41 C ATOM 487 O LEU A 388 -4.923 -5.749 -7.502 1.00 5.24 O ATOM 488 CB LEU A 388 -3.022 -6.136 -9.642 1.00 62.44 C ATOM 489 CG LEU A 388 -2.783 -4.652 -9.945 1.00 15.40 C ATOM 490 CD1 LEU A 388 -1.326 -4.264 -9.766 1.00 41.12 C ATOM 491 CD2 LEU A 388 -3.296 -4.292 -11.323 1.00 25.01 C ATOM 0 H LEU A 388 -3.681 -8.361 -8.785 1.00 74.34 H new ATOM 0 HA LEU A 388 -1.758 -6.392 -7.949 1.00 41.43 H new ATOM 0 HB2 LEU A 388 -2.364 -6.726 -10.279 1.00 62.44 H new ATOM 0 HB3 LEU A 388 -4.045 -6.383 -9.925 1.00 62.44 H new ATOM 0 HG LEU A 388 -3.351 -4.072 -9.218 1.00 15.40 H new ATOM 0 HD11 LEU A 388 -1.201 -3.205 -9.991 1.00 41.12 H new ATOM 0 HD12 LEU A 388 -1.023 -4.455 -8.737 1.00 41.12 H new ATOM 0 HD13 LEU A 388 -0.707 -4.854 -10.442 1.00 41.12 H new ATOM 0 HD21 LEU A 388 -3.115 -3.234 -11.514 1.00 25.01 H new ATOM 0 HD22 LEU A 388 -2.777 -4.890 -12.072 1.00 25.01 H new ATOM 0 HD23 LEU A 388 -4.366 -4.492 -11.377 1.00 25.01 H new ATOM 499 N LEU A 389 -3.179 -5.250 -6.260 1.00 31.00 N ATOM 500 CA LEU A 389 -3.936 -4.584 -5.305 1.00 14.34 C ATOM 501 C LEU A 389 -4.337 -3.227 -5.853 1.00 51.54 C ATOM 502 O LEU A 389 -5.503 -2.967 -6.043 1.00 4.53 O ATOM 503 CB LEU A 389 -3.072 -4.469 -4.091 1.00 12.25 C ATOM 504 CG LEU A 389 -3.728 -4.325 -2.758 1.00 71.14 C ATOM 505 CD1 LEU A 389 -4.558 -3.070 -2.628 1.00 3.43 C ATOM 506 CD2 LEU A 389 -4.514 -5.563 -2.402 1.00 0.40 C ATOM 0 H LEU A 389 -2.177 -5.261 -6.071 1.00 31.00 H new ATOM 0 HA LEU A 389 -4.856 -5.111 -5.052 1.00 14.34 H new ATOM 0 HB2 LEU A 389 -2.435 -5.353 -4.053 1.00 12.25 H new ATOM 0 HB3 LEU A 389 -2.416 -3.610 -4.232 1.00 12.25 H new ATOM 0 HG LEU A 389 -2.924 -4.216 -2.030 1.00 71.14 H new ATOM 0 HD11 LEU A 389 -5.005 -3.031 -1.635 1.00 3.43 H new ATOM 0 HD12 LEU A 389 -3.923 -2.197 -2.775 1.00 3.43 H new ATOM 0 HD13 LEU A 389 -5.346 -3.076 -3.381 1.00 3.43 H new ATOM 0 HD21 LEU A 389 -4.981 -5.430 -1.426 1.00 0.40 H new ATOM 0 HD22 LEU A 389 -5.285 -5.733 -3.153 1.00 0.40 H new ATOM 0 HD23 LEU A 389 -3.844 -6.422 -2.369 1.00 0.40 H new ATOM 514 N GLY A 390 -3.377 -2.385 -6.130 1.00 62.24 N ATOM 515 CA GLY A 390 -3.718 -1.100 -6.642 1.00 62.25 C ATOM 516 C GLY A 390 -2.580 -0.453 -7.345 1.00 53.25 C ATOM 517 O GLY A 390 -1.419 -0.810 -7.122 1.00 61.22 O ATOM 0 H GLY A 390 -2.380 -2.565 -6.011 1.00 62.24 H new ATOM 0 HA2 GLY A 390 -4.559 -1.196 -7.329 1.00 62.25 H new ATOM 0 HA3 GLY A 390 -4.047 -0.461 -5.823 1.00 62.25 H new ATOM 521 N ASN A 391 -2.900 0.466 -8.208 1.00 61.05 N ATOM 522 CA ASN A 391 -1.922 1.270 -8.903 1.00 2.44 C ATOM 523 C ASN A 391 -1.876 2.597 -8.220 1.00 33.13 C ATOM 524 O ASN A 391 -2.888 3.066 -7.718 1.00 75.33 O ATOM 525 CB ASN A 391 -2.295 1.482 -10.385 1.00 15.10 C ATOM 526 CG ASN A 391 -2.136 0.257 -11.291 1.00 1.11 C ATOM 527 OD1 ASN A 391 -2.269 -0.928 -10.755 1.00 23.35 O flip ATOM 528 ND2 ASN A 391 -1.887 0.395 -12.483 1.00 42.34 N flip ATOM 0 H ASN A 391 -3.864 0.686 -8.457 1.00 61.05 H new ATOM 0 HA ASN A 391 -0.959 0.761 -8.879 1.00 2.44 H new ATOM 0 HB2 ASN A 391 -3.331 1.817 -10.436 1.00 15.10 H new ATOM 0 HB3 ASN A 391 -1.680 2.288 -10.784 1.00 15.10 H new ATOM 0 HD21 ASN A 391 -1.788 1.330 -12.878 1.00 42.34 H new ATOM 0 HD22 ASN A 391 -1.779 -0.425 -13.080 1.00 42.34 H new ATOM 534 N PHE A 392 -0.738 3.192 -8.173 1.00 32.53 N ATOM 535 CA PHE A 392 -0.599 4.476 -7.523 1.00 70.24 C ATOM 536 C PHE A 392 -1.262 5.543 -8.369 1.00 61.42 C ATOM 537 O PHE A 392 -0.836 5.802 -9.493 1.00 64.33 O ATOM 538 CB PHE A 392 0.878 4.794 -7.296 1.00 13.41 C ATOM 539 CG PHE A 392 1.569 3.956 -6.245 1.00 42.24 C ATOM 540 CD1 PHE A 392 1.445 2.573 -6.224 1.00 41.03 C ATOM 541 CD2 PHE A 392 2.356 4.560 -5.287 1.00 63.13 C ATOM 542 CE1 PHE A 392 2.091 1.822 -5.277 1.00 13.50 C ATOM 543 CE2 PHE A 392 3.015 3.812 -4.339 1.00 21.34 C ATOM 544 CZ PHE A 392 2.884 2.442 -4.337 1.00 42.02 C ATOM 0 H PHE A 392 0.123 2.820 -8.574 1.00 32.53 H new ATOM 0 HA PHE A 392 -1.089 4.448 -6.550 1.00 70.24 H new ATOM 0 HB2 PHE A 392 1.408 4.670 -8.241 1.00 13.41 H new ATOM 0 HB3 PHE A 392 0.967 5.844 -7.015 1.00 13.41 H new ATOM 0 HD1 PHE A 392 0.831 2.082 -6.964 1.00 41.03 H new ATOM 0 HD2 PHE A 392 2.456 5.635 -5.281 1.00 63.13 H new ATOM 0 HE1 PHE A 392 1.979 0.748 -5.268 1.00 13.50 H new ATOM 0 HE2 PHE A 392 3.633 4.298 -3.599 1.00 21.34 H new ATOM 0 HZ PHE A 392 3.404 1.852 -3.597 1.00 42.02 H new ATOM 554 N ALA A 393 -2.298 6.147 -7.836 1.00 52.54 N ATOM 555 CA ALA A 393 -3.046 7.134 -8.575 1.00 71.43 C ATOM 556 C ALA A 393 -2.637 8.528 -8.187 1.00 73.30 C ATOM 557 O ALA A 393 -2.474 9.398 -9.049 1.00 13.32 O ATOM 558 CB ALA A 393 -4.533 6.943 -8.360 1.00 55.10 C ATOM 0 H ALA A 393 -2.642 5.971 -6.892 1.00 52.54 H new ATOM 0 HA ALA A 393 -2.824 6.999 -9.634 1.00 71.43 H new ATOM 0 HB1 ALA A 393 -5.082 7.696 -8.925 1.00 55.10 H new ATOM 0 HB2 ALA A 393 -4.825 5.950 -8.700 1.00 55.10 H new ATOM 0 HB3 ALA A 393 -4.763 7.045 -7.300 1.00 55.10 H new ATOM 564 N SER A 394 -2.466 8.741 -6.903 1.00 72.55 N ATOM 565 CA SER A 394 -2.086 10.014 -6.384 1.00 52.30 C ATOM 566 C SER A 394 -1.606 9.839 -4.963 1.00 33.42 C ATOM 567 O SER A 394 -2.138 9.010 -4.217 1.00 71.01 O ATOM 568 CB SER A 394 -3.273 11.001 -6.452 1.00 13.54 C ATOM 569 OG SER A 394 -4.417 10.496 -5.770 1.00 33.32 O ATOM 0 H SER A 394 -2.590 8.022 -6.191 1.00 72.55 H new ATOM 0 HA SER A 394 -1.278 10.431 -6.985 1.00 52.30 H new ATOM 0 HB2 SER A 394 -2.979 11.955 -6.013 1.00 13.54 H new ATOM 0 HB3 SER A 394 -3.526 11.194 -7.494 1.00 13.54 H new ATOM 0 HG SER A 394 -5.148 11.146 -5.831 1.00 33.32 H new ATOM 575 N GLN A 395 -0.585 10.547 -4.606 1.00 14.23 N ATOM 576 CA GLN A 395 -0.073 10.501 -3.278 1.00 44.12 C ATOM 577 C GLN A 395 0.352 11.858 -2.831 1.00 40.01 C ATOM 578 O GLN A 395 0.845 12.660 -3.635 1.00 11.01 O ATOM 579 CB GLN A 395 1.082 9.500 -3.125 1.00 23.34 C ATOM 580 CG GLN A 395 2.282 9.650 -4.081 1.00 4.24 C ATOM 581 CD GLN A 395 1.984 9.324 -5.537 1.00 52.25 C ATOM 582 OE1 GLN A 395 1.603 10.191 -6.320 1.00 24.24 O ATOM 583 NE2 GLN A 395 2.173 8.081 -5.913 1.00 4.53 N ATOM 0 H GLN A 395 -0.081 11.176 -5.231 1.00 14.23 H new ATOM 0 HA GLN A 395 -0.885 10.152 -2.639 1.00 44.12 H new ATOM 0 HB2 GLN A 395 1.455 9.569 -2.103 1.00 23.34 H new ATOM 0 HB3 GLN A 395 0.676 8.496 -3.249 1.00 23.34 H new ATOM 0 HG2 GLN A 395 2.650 10.674 -4.021 1.00 4.24 H new ATOM 0 HG3 GLN A 395 3.087 9.001 -3.736 1.00 4.24 H new ATOM 0 HE21 GLN A 395 2.490 7.386 -5.237 1.00 4.53 H new ATOM 0 HE22 GLN A 395 2.003 7.810 -6.881 1.00 4.53 H new ATOM 591 N GLU A 396 0.168 12.121 -1.575 1.00 73.15 N ATOM 592 CA GLU A 396 0.524 13.379 -1.013 1.00 31.01 C ATOM 593 C GLU A 396 1.456 13.147 0.154 1.00 1.55 C ATOM 594 O GLU A 396 1.047 12.601 1.185 1.00 5.52 O ATOM 595 CB GLU A 396 -0.732 14.107 -0.552 1.00 73.11 C ATOM 596 CG GLU A 396 -0.486 15.495 -0.005 1.00 73.40 C ATOM 597 CD GLU A 396 -1.752 16.138 0.469 1.00 71.51 C ATOM 598 OE1 GLU A 396 -2.459 16.753 -0.354 1.00 52.21 O ATOM 599 OE2 GLU A 396 -2.070 16.027 1.669 1.00 45.12 O ATOM 0 H GLU A 396 -0.236 11.462 -0.909 1.00 73.15 H new ATOM 0 HA GLU A 396 1.027 13.993 -1.760 1.00 31.01 H new ATOM 0 HB2 GLU A 396 -1.424 14.178 -1.391 1.00 73.11 H new ATOM 0 HB3 GLU A 396 -1.222 13.509 0.216 1.00 73.11 H new ATOM 0 HG2 GLU A 396 0.225 15.440 0.820 1.00 73.40 H new ATOM 0 HG3 GLU A 396 -0.031 16.115 -0.777 1.00 73.40 H new ATOM 606 N GLY A 397 2.709 13.524 -0.025 1.00 21.13 N ATOM 607 CA GLY A 397 3.695 13.396 1.021 1.00 74.34 C ATOM 608 C GLY A 397 3.927 11.956 1.448 1.00 54.35 C ATOM 609 O GLY A 397 4.533 11.166 0.719 1.00 61.20 O ATOM 0 H GLY A 397 3.065 13.924 -0.893 1.00 21.13 H new ATOM 0 HA2 GLY A 397 4.637 13.823 0.678 1.00 74.34 H new ATOM 0 HA3 GLY A 397 3.377 13.978 1.886 1.00 74.34 H new ATOM 613 N ASN A 398 3.413 11.615 2.607 1.00 75.31 N ATOM 614 CA ASN A 398 3.611 10.298 3.193 1.00 63.40 C ATOM 615 C ASN A 398 2.285 9.527 3.268 1.00 4.11 C ATOM 616 O ASN A 398 2.171 8.517 3.977 1.00 61.24 O ATOM 617 CB ASN A 398 4.253 10.443 4.593 1.00 52.11 C ATOM 618 CG ASN A 398 3.367 11.165 5.602 1.00 52.14 C ATOM 619 OD1 ASN A 398 3.363 12.388 5.678 1.00 61.15 O ATOM 620 ND2 ASN A 398 2.668 10.422 6.411 1.00 45.13 N ATOM 0 H ASN A 398 2.843 12.241 3.176 1.00 75.31 H new ATOM 0 HA ASN A 398 4.286 9.725 2.557 1.00 63.40 H new ATOM 0 HB2 ASN A 398 4.493 9.452 4.977 1.00 52.11 H new ATOM 0 HB3 ASN A 398 5.194 10.984 4.497 1.00 52.11 H new ATOM 0 HD21 ASN A 398 2.095 10.856 7.135 1.00 45.13 H new ATOM 0 HD22 ASN A 398 2.693 9.406 6.321 1.00 45.13 H new ATOM 626 N VAL A 399 1.300 9.979 2.515 1.00 32.01 N ATOM 627 CA VAL A 399 0.003 9.324 2.457 1.00 2.21 C ATOM 628 C VAL A 399 -0.216 8.942 1.019 1.00 75.14 C ATOM 629 O VAL A 399 -0.248 9.805 0.133 1.00 1.14 O ATOM 630 CB VAL A 399 -1.149 10.247 2.944 1.00 4.04 C ATOM 631 CG1 VAL A 399 -2.481 9.509 2.913 1.00 62.54 C ATOM 632 CG2 VAL A 399 -0.868 10.777 4.347 1.00 60.50 C ATOM 0 H VAL A 399 1.374 10.809 1.927 1.00 32.01 H new ATOM 0 HA VAL A 399 -0.003 8.457 3.118 1.00 2.21 H new ATOM 0 HB VAL A 399 -1.208 11.096 2.263 1.00 4.04 H new ATOM 0 HG11 VAL A 399 -3.273 10.174 3.258 1.00 62.54 H new ATOM 0 HG12 VAL A 399 -2.695 9.187 1.894 1.00 62.54 H new ATOM 0 HG13 VAL A 399 -2.429 8.637 3.565 1.00 62.54 H new ATOM 0 HG21 VAL A 399 -1.689 11.420 4.664 1.00 60.50 H new ATOM 0 HG22 VAL A 399 -0.774 9.941 5.040 1.00 60.50 H new ATOM 0 HG23 VAL A 399 0.060 11.349 4.341 1.00 60.50 H new ATOM 638 N LEU A 400 -0.341 7.675 0.770 1.00 51.14 N ATOM 639 CA LEU A 400 -0.333 7.205 -0.581 1.00 40.21 C ATOM 640 C LEU A 400 -1.646 6.486 -0.935 1.00 73.43 C ATOM 641 O LEU A 400 -2.049 5.540 -0.250 1.00 42.35 O ATOM 642 CB LEU A 400 0.861 6.245 -0.762 1.00 71.40 C ATOM 643 CG LEU A 400 2.257 6.675 -0.183 1.00 60.41 C ATOM 644 CD1 LEU A 400 3.326 5.655 -0.508 1.00 34.02 C ATOM 645 CD2 LEU A 400 2.698 8.044 -0.651 1.00 75.21 C ATOM 0 H LEU A 400 -0.449 6.951 1.480 1.00 51.14 H new ATOM 0 HA LEU A 400 -0.237 8.059 -1.251 1.00 40.21 H new ATOM 0 HB2 LEU A 400 0.592 5.291 -0.308 1.00 71.40 H new ATOM 0 HB3 LEU A 400 0.985 6.066 -1.830 1.00 71.40 H new ATOM 0 HG LEU A 400 2.124 6.727 0.898 1.00 60.41 H new ATOM 0 HD11 LEU A 400 4.279 5.982 -0.093 1.00 34.02 H new ATOM 0 HD12 LEU A 400 3.054 4.692 -0.076 1.00 34.02 H new ATOM 0 HD13 LEU A 400 3.416 5.554 -1.590 1.00 34.02 H new ATOM 0 HD21 LEU A 400 3.669 8.282 -0.216 1.00 75.21 H new ATOM 0 HD22 LEU A 400 2.776 8.049 -1.738 1.00 75.21 H new ATOM 0 HD23 LEU A 400 1.967 8.789 -0.336 1.00 75.21 H new ATOM 653 N LYS A 401 -2.301 6.943 -1.996 1.00 40.20 N ATOM 654 CA LYS A 401 -3.521 6.316 -2.502 1.00 50.01 C ATOM 655 C LYS A 401 -3.261 5.441 -3.705 1.00 14.43 C ATOM 656 O LYS A 401 -2.730 5.901 -4.742 1.00 43.22 O ATOM 657 CB LYS A 401 -4.600 7.339 -2.850 1.00 10.44 C ATOM 658 CG LYS A 401 -5.546 7.697 -1.726 1.00 53.33 C ATOM 659 CD LYS A 401 -6.327 6.463 -1.291 1.00 12.51 C ATOM 660 CE LYS A 401 -7.528 6.823 -0.430 1.00 61.33 C ATOM 661 NZ LYS A 401 -8.528 7.643 -1.167 1.00 15.52 N ATOM 0 H LYS A 401 -2.003 7.759 -2.531 1.00 40.20 H new ATOM 0 HA LYS A 401 -3.882 5.691 -1.685 1.00 50.01 H new ATOM 0 HB2 LYS A 401 -4.113 8.251 -3.196 1.00 10.44 H new ATOM 0 HB3 LYS A 401 -5.185 6.954 -3.685 1.00 10.44 H new ATOM 0 HG2 LYS A 401 -4.986 8.099 -0.882 1.00 53.33 H new ATOM 0 HG3 LYS A 401 -6.234 8.477 -2.053 1.00 53.33 H new ATOM 0 HD2 LYS A 401 -6.663 5.918 -2.173 1.00 12.51 H new ATOM 0 HD3 LYS A 401 -5.669 5.795 -0.735 1.00 12.51 H new ATOM 0 HE2 LYS A 401 -8.003 5.909 -0.073 1.00 61.33 H new ATOM 0 HE3 LYS A 401 -7.190 7.371 0.450 1.00 61.33 H new ATOM 0 HZ1 LYS A 401 -9.445 7.595 -0.678 1.00 15.52 H new ATOM 0 HZ2 LYS A 401 -8.207 8.631 -1.204 1.00 15.52 H new ATOM 0 HZ3 LYS A 401 -8.632 7.276 -2.135 1.00 15.52 H new ATOM 675 N TYR A 402 -3.627 4.184 -3.581 1.00 53.41 N ATOM 676 CA TYR A 402 -3.480 3.249 -4.677 1.00 52.13 C ATOM 677 C TYR A 402 -4.856 2.759 -5.040 1.00 73.42 C ATOM 678 O TYR A 402 -5.603 2.356 -4.166 1.00 52.33 O ATOM 679 CB TYR A 402 -2.643 2.036 -4.272 1.00 62.13 C ATOM 680 CG TYR A 402 -1.556 2.313 -3.283 1.00 53.22 C ATOM 681 CD1 TYR A 402 -0.598 3.257 -3.521 1.00 43.04 C ATOM 682 CD2 TYR A 402 -1.485 1.595 -2.103 1.00 65.23 C ATOM 683 CE1 TYR A 402 0.400 3.484 -2.622 1.00 14.15 C ATOM 684 CE2 TYR A 402 -0.486 1.825 -1.198 1.00 5.53 C ATOM 685 CZ TYR A 402 0.452 2.767 -1.466 1.00 75.31 C ATOM 686 OH TYR A 402 1.465 2.980 -0.580 1.00 51.13 O ATOM 0 H TYR A 402 -4.029 3.785 -2.733 1.00 53.41 H new ATOM 0 HA TYR A 402 -2.983 3.752 -5.506 1.00 52.13 H new ATOM 0 HB2 TYR A 402 -3.307 1.279 -3.855 1.00 62.13 H new ATOM 0 HB3 TYR A 402 -2.196 1.608 -5.169 1.00 62.13 H new ATOM 0 HD1 TYR A 402 -0.632 3.832 -4.435 1.00 43.04 H new ATOM 0 HD2 TYR A 402 -2.230 0.841 -1.893 1.00 65.23 H new ATOM 0 HE1 TYR A 402 1.150 4.233 -2.827 1.00 14.15 H new ATOM 0 HE2 TYR A 402 -0.444 1.261 -0.278 1.00 5.53 H new ATOM 0 HH TYR A 402 1.666 2.146 -0.106 1.00 51.13 H new ATOM 696 N GLU A 403 -5.192 2.797 -6.288 1.00 22.21 N ATOM 697 CA GLU A 403 -6.490 2.367 -6.743 1.00 12.33 C ATOM 698 C GLU A 403 -6.409 1.760 -8.119 1.00 11.41 C ATOM 699 O GLU A 403 -5.328 1.709 -8.708 1.00 53.43 O ATOM 700 CB GLU A 403 -7.499 3.512 -6.682 1.00 51.31 C ATOM 701 CG GLU A 403 -7.068 4.758 -7.413 1.00 54.42 C ATOM 702 CD GLU A 403 -8.061 5.870 -7.281 1.00 5.22 C ATOM 703 OE1 GLU A 403 -8.107 6.518 -6.218 1.00 11.51 O ATOM 704 OE2 GLU A 403 -8.801 6.137 -8.240 1.00 22.34 O ATOM 0 H GLU A 403 -4.576 3.128 -7.031 1.00 22.21 H new ATOM 0 HA GLU A 403 -6.845 1.588 -6.069 1.00 12.33 H new ATOM 0 HB2 GLU A 403 -8.446 3.169 -7.099 1.00 51.31 H new ATOM 0 HB3 GLU A 403 -7.683 3.763 -5.637 1.00 51.31 H new ATOM 0 HG2 GLU A 403 -6.104 5.088 -7.026 1.00 54.42 H new ATOM 0 HG3 GLU A 403 -6.925 4.526 -8.468 1.00 54.42 H new ATOM 711 N ASN A 404 -7.537 1.254 -8.605 1.00 51.11 N ATOM 712 CA ASN A 404 -7.651 0.704 -9.964 1.00 23.31 C ATOM 713 C ASN A 404 -6.789 -0.535 -10.138 1.00 25.31 C ATOM 714 O ASN A 404 -6.235 -0.780 -11.215 1.00 23.12 O ATOM 715 CB ASN A 404 -7.291 1.771 -11.023 1.00 1.32 C ATOM 716 CG ASN A 404 -8.199 2.996 -10.998 1.00 45.43 C ATOM 717 OD1 ASN A 404 -9.454 2.814 -10.630 1.00 52.14 O flip ATOM 718 ND2 ASN A 404 -7.768 4.104 -11.332 1.00 12.33 N flip ATOM 0 H ASN A 404 -8.405 1.210 -8.071 1.00 51.11 H new ATOM 0 HA ASN A 404 -8.690 0.409 -10.111 1.00 23.31 H new ATOM 0 HB2 ASN A 404 -6.261 2.091 -10.867 1.00 1.32 H new ATOM 0 HB3 ASN A 404 -7.337 1.317 -12.013 1.00 1.32 H new ATOM 0 HD21 ASN A 404 -6.792 4.209 -11.611 1.00 12.33 H new ATOM 0 HD22 ASN A 404 -8.388 4.914 -11.329 1.00 12.33 H new ATOM 724 N GLY A 405 -6.704 -1.332 -9.090 1.00 12.35 N ATOM 725 CA GLY A 405 -5.970 -2.572 -9.165 1.00 22.21 C ATOM 726 C GLY A 405 -6.770 -3.671 -9.853 1.00 63.01 C ATOM 727 O GLY A 405 -7.493 -3.417 -10.826 1.00 22.41 O ATOM 0 H GLY A 405 -7.132 -1.141 -8.184 1.00 12.35 H new ATOM 0 HA2 GLY A 405 -5.038 -2.409 -9.707 1.00 22.21 H new ATOM 0 HA3 GLY A 405 -5.701 -2.895 -8.159 1.00 22.21 H new ATOM 731 N GLN A 406 -6.677 -4.872 -9.342 1.00 15.43 N ATOM 732 CA GLN A 406 -7.356 -6.003 -9.935 1.00 20.44 C ATOM 733 C GLN A 406 -8.859 -5.859 -9.757 1.00 72.34 C ATOM 734 O GLN A 406 -9.323 -5.220 -8.801 1.00 51.20 O ATOM 735 CB GLN A 406 -6.844 -7.332 -9.373 1.00 52.24 C ATOM 736 CG GLN A 406 -7.396 -8.541 -10.092 1.00 2.44 C ATOM 737 CD GLN A 406 -6.817 -9.830 -9.614 1.00 32.21 C ATOM 738 OE1 GLN A 406 -7.422 -10.424 -8.644 1.00 42.21 O flip ATOM 739 NE2 GLN A 406 -5.805 -10.289 -10.125 1.00 13.30 N flip ATOM 0 H GLN A 406 -6.133 -5.096 -8.509 1.00 15.43 H new ATOM 0 HA GLN A 406 -7.135 -6.013 -11.002 1.00 20.44 H new ATOM 0 HB2 GLN A 406 -5.756 -7.348 -9.433 1.00 52.24 H new ATOM 0 HB3 GLN A 406 -7.106 -7.396 -8.317 1.00 52.24 H new ATOM 0 HG2 GLN A 406 -8.478 -8.568 -9.964 1.00 2.44 H new ATOM 0 HG3 GLN A 406 -7.204 -8.439 -11.160 1.00 2.44 H new ATOM 0 HE21 GLN A 406 -5.351 -9.793 -10.892 1.00 13.30 H new ATOM 0 HE22 GLN A 406 -5.415 -11.168 -9.784 1.00 13.30 H new ATOM 747 N SER A 407 -9.603 -6.408 -10.676 1.00 2.13 N ATOM 748 CA SER A 407 -11.036 -6.263 -10.694 1.00 10.23 C ATOM 749 C SER A 407 -11.661 -6.926 -9.475 1.00 40.51 C ATOM 750 O SER A 407 -11.406 -8.098 -9.174 1.00 43.32 O ATOM 751 CB SER A 407 -11.602 -6.819 -12.002 1.00 64.12 C ATOM 752 OG SER A 407 -11.012 -6.154 -13.120 1.00 32.02 O ATOM 0 H SER A 407 -9.232 -6.973 -11.440 1.00 2.13 H new ATOM 0 HA SER A 407 -11.288 -5.204 -10.645 1.00 10.23 H new ATOM 0 HB2 SER A 407 -11.409 -7.890 -12.064 1.00 64.12 H new ATOM 0 HB3 SER A 407 -12.684 -6.689 -12.022 1.00 64.12 H new ATOM 0 HG SER A 407 -11.381 -6.520 -13.951 1.00 32.02 H new ATOM 826 N HIS A 413 -12.604 -2.129 -8.612 1.00 71.12 N ATOM 827 CA HIS A 413 -11.238 -2.654 -8.652 1.00 10.25 C ATOM 828 C HIS A 413 -10.708 -2.528 -7.253 1.00 73.14 C ATOM 829 O HIS A 413 -11.275 -1.770 -6.461 1.00 13.22 O ATOM 830 CB HIS A 413 -10.279 -1.840 -9.594 1.00 11.23 C ATOM 831 CG HIS A 413 -10.539 -1.928 -11.071 1.00 3.12 C ATOM 832 ND1 HIS A 413 -10.071 -2.953 -11.854 1.00 30.23 N ATOM 833 CD2 HIS A 413 -11.231 -1.118 -11.899 1.00 21.41 C ATOM 834 CE1 HIS A 413 -10.470 -2.779 -13.089 1.00 24.10 C ATOM 835 NE2 HIS A 413 -11.175 -1.674 -13.144 1.00 23.32 N ATOM 0 HA HIS A 413 -11.270 -3.674 -9.034 1.00 10.25 H new ATOM 0 HB2 HIS A 413 -10.328 -0.791 -9.303 1.00 11.23 H new ATOM 0 HB3 HIS A 413 -9.258 -2.174 -9.409 1.00 11.23 H new ATOM 0 HD1 HIS A 413 -9.500 -3.731 -11.525 1.00 30.23 H new ATOM 0 HD2 HIS A 413 -11.735 -0.202 -11.628 1.00 21.41 H new ATOM 0 HE1 HIS A 413 -10.255 -3.434 -13.921 1.00 24.10 H new ATOM 844 N ARG A 414 -9.669 -3.253 -6.929 1.00 63.24 N ATOM 845 CA ARG A 414 -9.041 -3.107 -5.641 1.00 51.21 C ATOM 846 C ARG A 414 -8.267 -1.820 -5.520 1.00 52.10 C ATOM 847 O ARG A 414 -7.869 -1.204 -6.528 1.00 52.42 O ATOM 848 CB ARG A 414 -8.207 -4.316 -5.226 1.00 52.12 C ATOM 849 CG ARG A 414 -9.019 -5.425 -4.592 1.00 12.42 C ATOM 850 CD ARG A 414 -8.154 -6.612 -4.220 1.00 51.41 C ATOM 851 NE ARG A 414 -8.881 -7.551 -3.359 1.00 24.24 N ATOM 852 CZ ARG A 414 -9.013 -8.865 -3.553 1.00 33.10 C ATOM 853 NH1 ARG A 414 -8.532 -9.441 -4.651 1.00 1.13 N ATOM 854 NH2 ARG A 414 -9.652 -9.593 -2.647 1.00 43.41 N ATOM 0 H ARG A 414 -9.240 -3.950 -7.538 1.00 63.24 H new ATOM 0 HA ARG A 414 -9.863 -3.055 -4.927 1.00 51.21 H new ATOM 0 HB2 ARG A 414 -7.692 -4.710 -6.102 1.00 52.12 H new ATOM 0 HB3 ARG A 414 -7.439 -3.993 -4.524 1.00 52.12 H new ATOM 0 HG2 ARG A 414 -9.519 -5.046 -3.701 1.00 12.42 H new ATOM 0 HG3 ARG A 414 -9.799 -5.745 -5.283 1.00 12.42 H new ATOM 0 HD2 ARG A 414 -7.826 -7.124 -5.125 1.00 51.41 H new ATOM 0 HD3 ARG A 414 -7.257 -6.265 -3.707 1.00 51.41 H new ATOM 0 HE ARG A 414 -9.330 -7.161 -2.530 1.00 24.24 H new ATOM 0 HH11 ARG A 414 -8.056 -8.878 -5.356 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -8.639 -10.446 -4.788 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -10.036 -9.148 -1.813 1.00 43.41 H new ATOM 0 HH22 ARG A 414 -9.759 -10.598 -2.784 1.00 43.41 H new ATOM 866 N SER A 415 -8.078 -1.414 -4.298 1.00 24.40 N ATOM 867 CA SER A 415 -7.419 -0.201 -3.966 1.00 65.11 C ATOM 868 C SER A 415 -7.002 -0.235 -2.492 1.00 2.52 C ATOM 869 O SER A 415 -7.482 -1.085 -1.736 1.00 13.05 O ATOM 870 CB SER A 415 -8.371 0.969 -4.245 1.00 62.31 C ATOM 871 OG SER A 415 -9.623 0.782 -3.590 1.00 12.43 O ATOM 0 H SER A 415 -8.392 -1.942 -3.484 1.00 24.40 H new ATOM 0 HA SER A 415 -6.520 -0.075 -4.570 1.00 65.11 H new ATOM 0 HB2 SER A 415 -7.916 1.900 -3.907 1.00 62.31 H new ATOM 0 HB3 SER A 415 -8.530 1.064 -5.319 1.00 62.31 H new ATOM 0 HG SER A 415 -10.210 1.543 -3.783 1.00 12.43 H new ATOM 877 N ALA A 416 -6.128 0.660 -2.092 1.00 64.01 N ATOM 878 CA ALA A 416 -5.659 0.729 -0.732 1.00 74.43 C ATOM 879 C ALA A 416 -5.076 2.082 -0.446 1.00 14.31 C ATOM 880 O ALA A 416 -4.536 2.745 -1.334 1.00 0.24 O ATOM 881 CB ALA A 416 -4.617 -0.345 -0.453 1.00 13.32 C ATOM 0 H ALA A 416 -5.721 1.364 -2.708 1.00 64.01 H new ATOM 0 HA ALA A 416 -6.515 0.559 -0.079 1.00 74.43 H new ATOM 0 HB1 ALA A 416 -4.282 -0.267 0.581 1.00 13.32 H new ATOM 0 HB2 ALA A 416 -5.055 -1.329 -0.620 1.00 13.32 H new ATOM 0 HB3 ALA A 416 -3.766 -0.209 -1.121 1.00 13.32 H new ATOM 887 N ILE A 417 -5.212 2.498 0.763 1.00 2.05 N ATOM 888 CA ILE A 417 -4.629 3.708 1.220 1.00 71.40 C ATOM 889 C ILE A 417 -3.542 3.389 2.241 1.00 11.31 C ATOM 890 O ILE A 417 -3.780 2.692 3.236 1.00 22.32 O ATOM 891 CB ILE A 417 -5.678 4.691 1.825 1.00 45.25 C ATOM 892 CG1 ILE A 417 -4.973 5.974 2.299 1.00 44.02 C ATOM 893 CG2 ILE A 417 -6.508 4.042 2.943 1.00 51.50 C ATOM 894 CD1 ILE A 417 -5.882 6.984 2.969 1.00 70.52 C ATOM 0 H ILE A 417 -5.742 1.997 1.476 1.00 2.05 H new ATOM 0 HA ILE A 417 -4.194 4.214 0.358 1.00 71.40 H new ATOM 0 HB ILE A 417 -6.390 4.955 1.043 1.00 45.25 H new ATOM 0 HG12 ILE A 417 -4.180 5.701 2.995 1.00 44.02 H new ATOM 0 HG13 ILE A 417 -4.495 6.448 1.442 1.00 44.02 H new ATOM 0 HG21 ILE A 417 -7.224 4.766 3.332 1.00 51.50 H new ATOM 0 HG22 ILE A 417 -7.044 3.180 2.545 1.00 51.50 H new ATOM 0 HG23 ILE A 417 -5.846 3.719 3.746 1.00 51.50 H new ATOM 0 HD11 ILE A 417 -5.299 7.855 3.270 1.00 70.52 H new ATOM 0 HD12 ILE A 417 -6.661 7.292 2.271 1.00 70.52 H new ATOM 0 HD13 ILE A 417 -6.341 6.533 3.849 1.00 70.52 H new ATOM 901 N VAL A 418 -2.368 3.857 1.979 1.00 21.44 N ATOM 902 CA VAL A 418 -1.258 3.656 2.860 1.00 52.41 C ATOM 903 C VAL A 418 -0.845 4.937 3.546 1.00 72.15 C ATOM 904 O VAL A 418 -0.673 5.979 2.909 1.00 42.05 O ATOM 905 CB VAL A 418 -0.046 2.988 2.138 1.00 75.22 C ATOM 906 CG1 VAL A 418 1.242 3.245 2.864 1.00 33.35 C ATOM 907 CG2 VAL A 418 -0.239 1.498 2.079 1.00 12.23 C ATOM 0 H VAL A 418 -2.146 4.395 1.141 1.00 21.44 H new ATOM 0 HA VAL A 418 -1.597 2.964 3.631 1.00 52.41 H new ATOM 0 HB VAL A 418 0.005 3.420 1.138 1.00 75.22 H new ATOM 0 HG11 VAL A 418 2.062 2.764 2.331 1.00 33.35 H new ATOM 0 HG12 VAL A 418 1.423 4.319 2.916 1.00 33.35 H new ATOM 0 HG13 VAL A 418 1.178 2.839 3.874 1.00 33.35 H new ATOM 0 HG21 VAL A 418 0.612 1.041 1.574 1.00 12.23 H new ATOM 0 HG22 VAL A 418 -0.316 1.101 3.091 1.00 12.23 H new ATOM 0 HG23 VAL A 418 -1.153 1.271 1.530 1.00 12.23 H new ATOM 913 N THR A 419 -0.718 4.856 4.834 1.00 73.20 N ATOM 914 CA THR A 419 -0.203 5.923 5.611 1.00 71.11 C ATOM 915 C THR A 419 1.175 5.524 6.081 1.00 44.02 C ATOM 916 O THR A 419 1.320 4.562 6.853 1.00 21.41 O ATOM 917 CB THR A 419 -1.115 6.208 6.824 1.00 34.44 C ATOM 918 OG1 THR A 419 -1.388 4.975 7.531 1.00 5.24 O ATOM 919 CG2 THR A 419 -2.418 6.871 6.394 1.00 24.51 C ATOM 0 H THR A 419 -0.975 4.031 5.376 1.00 73.20 H new ATOM 0 HA THR A 419 -0.158 6.833 5.012 1.00 71.11 H new ATOM 0 HB THR A 419 -0.595 6.898 7.489 1.00 34.44 H new ATOM 0 HG1 THR A 419 -0.549 4.493 7.683 1.00 5.24 H new ATOM 0 HG21 THR A 419 -3.038 7.058 7.271 1.00 24.51 H new ATOM 0 HG22 THR A 419 -2.199 7.816 5.896 1.00 24.51 H new ATOM 0 HG23 THR A 419 -2.951 6.214 5.707 1.00 24.51 H new ATOM 925 N VAL A 420 2.171 6.222 5.616 1.00 51.03 N ATOM 926 CA VAL A 420 3.536 5.902 5.953 1.00 32.51 C ATOM 927 C VAL A 420 3.962 6.855 7.032 1.00 54.31 C ATOM 928 O VAL A 420 3.861 8.054 6.864 1.00 10.34 O ATOM 929 CB VAL A 420 4.481 6.083 4.728 1.00 70.23 C ATOM 930 CG1 VAL A 420 5.872 5.575 5.036 1.00 31.15 C ATOM 931 CG2 VAL A 420 3.928 5.407 3.488 1.00 11.20 C ATOM 0 H VAL A 420 2.065 7.025 4.996 1.00 51.03 H new ATOM 0 HA VAL A 420 3.596 4.862 6.275 1.00 32.51 H new ATOM 0 HB VAL A 420 4.542 7.152 4.523 1.00 70.23 H new ATOM 0 HG11 VAL A 420 6.511 5.713 4.164 1.00 31.15 H new ATOM 0 HG12 VAL A 420 6.284 6.130 5.879 1.00 31.15 H new ATOM 0 HG13 VAL A 420 5.825 4.515 5.287 1.00 31.15 H new ATOM 0 HG21 VAL A 420 4.615 5.556 2.655 1.00 11.20 H new ATOM 0 HG22 VAL A 420 3.812 4.340 3.677 1.00 11.20 H new ATOM 0 HG23 VAL A 420 2.959 5.839 3.240 1.00 11.20 H new ATOM 937 N GLU A 421 4.388 6.338 8.142 1.00 64.50 N ATOM 938 CA GLU A 421 4.752 7.179 9.246 1.00 65.23 C ATOM 939 C GLU A 421 6.203 6.966 9.633 1.00 71.14 C ATOM 940 O GLU A 421 6.918 6.239 8.972 1.00 22.15 O ATOM 941 CB GLU A 421 3.846 6.897 10.416 1.00 52.25 C ATOM 942 CG GLU A 421 2.378 6.978 10.080 1.00 11.24 C ATOM 943 CD GLU A 421 1.532 6.712 11.263 1.00 22.22 C ATOM 944 OE1 GLU A 421 1.587 5.587 11.788 1.00 22.41 O ATOM 945 OE2 GLU A 421 0.792 7.621 11.687 1.00 63.54 O ATOM 0 H GLU A 421 4.493 5.338 8.311 1.00 64.50 H new ATOM 0 HA GLU A 421 4.636 8.221 8.947 1.00 65.23 H new ATOM 0 HB2 GLU A 421 4.067 5.902 10.803 1.00 52.25 H new ATOM 0 HB3 GLU A 421 4.067 7.606 11.214 1.00 52.25 H new ATOM 0 HG2 GLU A 421 2.149 7.967 9.684 1.00 11.24 H new ATOM 0 HG3 GLU A 421 2.144 6.258 9.296 1.00 11.24 H new ATOM 952 N CYS A 422 6.609 7.590 10.698 1.00 23.44 N ATOM 953 CA CYS A 422 7.974 7.564 11.177 1.00 3.32 C ATOM 954 C CYS A 422 8.409 6.155 11.549 1.00 34.30 C ATOM 955 O CYS A 422 7.734 5.463 12.304 1.00 34.52 O ATOM 956 CB CYS A 422 8.077 8.481 12.392 1.00 11.12 C ATOM 957 SG CYS A 422 9.713 8.555 13.211 1.00 35.42 S ATOM 0 H CYS A 422 5.987 8.150 11.281 1.00 23.44 H new ATOM 0 HA CYS A 422 8.635 7.908 10.382 1.00 3.32 H new ATOM 0 HB2 CYS A 422 7.802 9.490 12.084 1.00 11.12 H new ATOM 0 HB3 CYS A 422 7.340 8.160 13.128 1.00 11.12 H new ATOM 0 HG CYS A 422 9.656 9.371 14.222 1.00 35.42 H new ATOM 962 N GLY A 423 9.531 5.745 11.023 1.00 21.12 N ATOM 963 CA GLY A 423 10.053 4.426 11.313 1.00 30.24 C ATOM 964 C GLY A 423 11.503 4.328 10.963 1.00 45.42 C ATOM 965 O GLY A 423 12.106 5.317 10.576 1.00 75.12 O ATOM 0 H GLY A 423 10.106 6.301 10.390 1.00 21.12 H new ATOM 0 HA2 GLY A 423 9.916 4.203 12.371 1.00 30.24 H new ATOM 0 HA3 GLY A 423 9.490 3.679 10.754 1.00 30.24 H new ATOM 969 N VAL A 424 12.071 3.165 11.120 1.00 14.14 N ATOM 970 CA VAL A 424 13.457 2.937 10.761 1.00 41.41 C ATOM 971 C VAL A 424 13.556 2.563 9.283 1.00 32.22 C ATOM 972 O VAL A 424 14.479 2.983 8.583 1.00 33.54 O ATOM 973 CB VAL A 424 14.103 1.829 11.641 1.00 54.10 C ATOM 974 CG1 VAL A 424 15.527 1.539 11.196 1.00 40.54 C ATOM 975 CG2 VAL A 424 14.098 2.251 13.099 1.00 14.33 C ATOM 0 H VAL A 424 11.595 2.346 11.498 1.00 14.14 H new ATOM 0 HA VAL A 424 14.007 3.861 10.939 1.00 41.41 H new ATOM 0 HB VAL A 424 13.513 0.920 11.525 1.00 54.10 H new ATOM 0 HG11 VAL A 424 15.954 0.761 11.828 1.00 40.54 H new ATOM 0 HG12 VAL A 424 15.523 1.203 10.159 1.00 40.54 H new ATOM 0 HG13 VAL A 424 16.126 2.445 11.281 1.00 40.54 H new ATOM 0 HG21 VAL A 424 14.552 1.468 13.706 1.00 14.33 H new ATOM 0 HG22 VAL A 424 14.666 3.174 13.213 1.00 14.33 H new ATOM 0 HG23 VAL A 424 13.071 2.414 13.427 1.00 14.33 H new ATOM 981 N GLU A 425 12.587 1.804 8.810 1.00 73.23 N ATOM 982 CA GLU A 425 12.554 1.362 7.430 1.00 1.14 C ATOM 983 C GLU A 425 11.140 1.054 7.043 1.00 23.43 C ATOM 984 O GLU A 425 10.268 0.899 7.900 1.00 23.35 O ATOM 985 CB GLU A 425 13.467 0.129 7.218 1.00 35.13 C ATOM 986 CG GLU A 425 13.532 -0.368 5.774 1.00 25.25 C ATOM 987 CD GLU A 425 14.350 -1.607 5.607 1.00 41.23 C ATOM 988 OE1 GLU A 425 13.792 -2.717 5.729 1.00 11.14 O ATOM 989 OE2 GLU A 425 15.563 -1.499 5.327 1.00 64.25 O ATOM 0 H GLU A 425 11.801 1.477 9.371 1.00 73.23 H new ATOM 0 HA GLU A 425 12.934 2.160 6.792 1.00 1.14 H new ATOM 0 HB2 GLU A 425 14.475 0.377 7.550 1.00 35.13 H new ATOM 0 HB3 GLU A 425 13.114 -0.683 7.853 1.00 35.13 H new ATOM 0 HG2 GLU A 425 12.520 -0.560 5.418 1.00 25.25 H new ATOM 0 HG3 GLU A 425 13.947 0.420 5.145 1.00 25.25 H new ATOM 996 N ASN A 426 10.928 1.004 5.758 1.00 53.14 N ATOM 997 CA ASN A 426 9.671 0.708 5.174 1.00 31.33 C ATOM 998 C ASN A 426 9.223 -0.691 5.525 1.00 43.43 C ATOM 999 O ASN A 426 9.823 -1.683 5.098 1.00 24.44 O ATOM 1000 CB ASN A 426 9.738 0.912 3.666 1.00 35.13 C ATOM 1001 CG ASN A 426 10.074 2.345 3.307 1.00 64.33 C ATOM 1002 OD1 ASN A 426 9.085 3.159 3.255 1.00 64.21 O flip ATOM 1003 ND2 ASN A 426 11.228 2.715 3.146 1.00 14.51 N flip ATOM 0 H ASN A 426 11.662 1.177 5.071 1.00 53.14 H new ATOM 0 HA ASN A 426 8.926 1.393 5.580 1.00 31.33 H new ATOM 0 HB2 ASN A 426 10.489 0.245 3.242 1.00 35.13 H new ATOM 0 HB3 ASN A 426 8.782 0.640 3.219 1.00 35.13 H new ATOM 0 HD21 ASN A 426 11.991 2.040 3.194 1.00 14.51 H new ATOM 0 HD22 ASN A 426 11.427 3.699 2.964 1.00 14.51 H new ATOM 1009 N GLU A 427 8.226 -0.748 6.353 1.00 25.13 N ATOM 1010 CA GLU A 427 7.616 -1.977 6.789 1.00 34.41 C ATOM 1011 C GLU A 427 6.103 -1.857 6.650 1.00 31.23 C ATOM 1012 O GLU A 427 5.556 -0.750 6.777 1.00 5.10 O ATOM 1013 CB GLU A 427 7.997 -2.265 8.259 1.00 4.44 C ATOM 1014 CG GLU A 427 7.321 -3.499 8.861 1.00 41.42 C ATOM 1015 CD GLU A 427 7.673 -4.788 8.151 1.00 33.31 C ATOM 1016 OE1 GLU A 427 7.242 -4.984 6.995 1.00 2.12 O ATOM 1017 OE2 GLU A 427 8.385 -5.622 8.746 1.00 1.21 O ATOM 0 H GLU A 427 7.797 0.083 6.760 1.00 25.13 H new ATOM 0 HA GLU A 427 7.973 -2.802 6.173 1.00 34.41 H new ATOM 0 HB2 GLU A 427 9.078 -2.391 8.323 1.00 4.44 H new ATOM 0 HB3 GLU A 427 7.742 -1.395 8.864 1.00 4.44 H new ATOM 0 HG2 GLU A 427 7.604 -3.583 9.910 1.00 41.42 H new ATOM 0 HG3 GLU A 427 6.240 -3.361 8.832 1.00 41.42 H new ATOM 1024 N ILE A 428 5.446 -2.968 6.374 1.00 44.21 N ATOM 1025 CA ILE A 428 4.006 -3.003 6.287 1.00 55.45 C ATOM 1026 C ILE A 428 3.501 -3.332 7.681 1.00 44.34 C ATOM 1027 O ILE A 428 3.739 -4.428 8.199 1.00 62.15 O ATOM 1028 CB ILE A 428 3.496 -4.106 5.320 1.00 73.01 C ATOM 1029 CG1 ILE A 428 4.180 -4.021 3.945 1.00 4.35 C ATOM 1030 CG2 ILE A 428 1.983 -3.974 5.154 1.00 71.52 C ATOM 1031 CD1 ILE A 428 3.914 -2.738 3.193 1.00 0.14 C ATOM 0 H ILE A 428 5.898 -3.867 6.205 1.00 44.21 H new ATOM 0 HA ILE A 428 3.648 -2.045 5.910 1.00 55.45 H new ATOM 0 HB ILE A 428 3.743 -5.076 5.752 1.00 73.01 H new ATOM 0 HG12 ILE A 428 5.256 -4.132 4.081 1.00 4.35 H new ATOM 0 HG13 ILE A 428 3.847 -4.861 3.335 1.00 4.35 H new ATOM 0 HG21 ILE A 428 1.623 -4.747 4.476 1.00 71.52 H new ATOM 0 HG22 ILE A 428 1.499 -4.088 6.124 1.00 71.52 H new ATOM 0 HG23 ILE A 428 1.746 -2.992 4.744 1.00 71.52 H new ATOM 0 HD11 ILE A 428 4.434 -2.763 2.235 1.00 0.14 H new ATOM 0 HD12 ILE A 428 2.843 -2.632 3.022 1.00 0.14 H new ATOM 0 HD13 ILE A 428 4.273 -1.892 3.779 1.00 0.14 H new ATOM 1038 N VAL A 429 2.834 -2.409 8.277 1.00 42.12 N ATOM 1039 CA VAL A 429 2.383 -2.530 9.643 1.00 52.24 C ATOM 1040 C VAL A 429 1.107 -3.353 9.765 1.00 5.42 C ATOM 1041 O VAL A 429 1.002 -4.229 10.640 1.00 20.14 O ATOM 1042 CB VAL A 429 2.180 -1.125 10.272 1.00 12.14 C ATOM 1043 CG1 VAL A 429 1.516 -1.208 11.626 1.00 53.00 C ATOM 1044 CG2 VAL A 429 3.511 -0.395 10.383 1.00 14.21 C ATOM 0 H VAL A 429 2.575 -1.528 7.833 1.00 42.12 H new ATOM 0 HA VAL A 429 3.161 -3.062 10.190 1.00 52.24 H new ATOM 0 HB VAL A 429 1.519 -0.563 9.612 1.00 12.14 H new ATOM 0 HG11 VAL A 429 1.392 -0.204 12.032 1.00 53.00 H new ATOM 0 HG12 VAL A 429 0.540 -1.682 11.524 1.00 53.00 H new ATOM 0 HG13 VAL A 429 2.137 -1.798 12.300 1.00 53.00 H new ATOM 0 HG21 VAL A 429 3.351 0.588 10.826 1.00 14.21 H new ATOM 0 HG22 VAL A 429 4.190 -0.970 11.012 1.00 14.21 H new ATOM 0 HG23 VAL A 429 3.946 -0.279 9.390 1.00 14.21 H new ATOM 1050 N SER A 430 0.164 -3.102 8.896 1.00 62.33 N ATOM 1051 CA SER A 430 -1.113 -3.750 8.975 1.00 65.14 C ATOM 1052 C SER A 430 -1.899 -3.498 7.714 1.00 15.31 C ATOM 1053 O SER A 430 -1.574 -2.584 6.949 1.00 73.11 O ATOM 1054 CB SER A 430 -1.887 -3.204 10.183 1.00 5.31 C ATOM 1055 OG SER A 430 -2.001 -1.781 10.104 1.00 3.24 O ATOM 0 H SER A 430 0.260 -2.447 8.120 1.00 62.33 H new ATOM 0 HA SER A 430 -0.964 -4.824 9.090 1.00 65.14 H new ATOM 0 HB2 SER A 430 -2.880 -3.653 10.219 1.00 5.31 H new ATOM 0 HB3 SER A 430 -1.377 -3.483 11.105 1.00 5.31 H new ATOM 0 HG SER A 430 -2.498 -1.449 10.880 1.00 3.24 H new ATOM 1061 N VAL A 431 -2.908 -4.298 7.503 1.00 22.02 N ATOM 1062 CA VAL A 431 -3.812 -4.141 6.412 1.00 22.24 C ATOM 1063 C VAL A 431 -5.208 -4.480 6.883 1.00 40.42 C ATOM 1064 O VAL A 431 -5.480 -5.585 7.380 1.00 34.25 O ATOM 1065 CB VAL A 431 -3.409 -4.944 5.132 1.00 23.42 C ATOM 1066 CG1 VAL A 431 -3.212 -6.408 5.416 1.00 15.11 C ATOM 1067 CG2 VAL A 431 -4.444 -4.759 4.036 1.00 54.11 C ATOM 0 H VAL A 431 -3.124 -5.094 8.103 1.00 22.02 H new ATOM 0 HA VAL A 431 -3.773 -3.099 6.094 1.00 22.24 H new ATOM 0 HB VAL A 431 -2.453 -4.544 4.794 1.00 23.42 H new ATOM 0 HG11 VAL A 431 -2.933 -6.923 4.496 1.00 15.11 H new ATOM 0 HG12 VAL A 431 -2.421 -6.532 6.155 1.00 15.11 H new ATOM 0 HG13 VAL A 431 -4.139 -6.832 5.802 1.00 15.11 H new ATOM 0 HG21 VAL A 431 -4.145 -5.326 3.154 1.00 54.11 H new ATOM 0 HG22 VAL A 431 -5.412 -5.116 4.386 1.00 54.11 H new ATOM 0 HG23 VAL A 431 -4.518 -3.702 3.780 1.00 54.11 H new ATOM 1073 N LEU A 432 -6.061 -3.533 6.782 1.00 15.21 N ATOM 1074 CA LEU A 432 -7.397 -3.671 7.238 1.00 75.15 C ATOM 1075 C LEU A 432 -8.317 -3.292 6.113 1.00 41.33 C ATOM 1076 O LEU A 432 -8.043 -2.350 5.398 1.00 5.15 O ATOM 1077 CB LEU A 432 -7.623 -2.772 8.453 1.00 2.43 C ATOM 1078 CG LEU A 432 -8.936 -2.971 9.200 1.00 53.42 C ATOM 1079 CD1 LEU A 432 -9.001 -4.385 9.754 1.00 51.43 C ATOM 1080 CD2 LEU A 432 -9.067 -1.952 10.317 1.00 4.33 C ATOM 0 H LEU A 432 -5.851 -2.622 6.373 1.00 15.21 H new ATOM 0 HA LEU A 432 -7.596 -4.699 7.540 1.00 75.15 H new ATOM 0 HB2 LEU A 432 -6.803 -2.929 9.153 1.00 2.43 H new ATOM 0 HB3 LEU A 432 -7.568 -1.734 8.126 1.00 2.43 H new ATOM 0 HG LEU A 432 -9.766 -2.826 8.509 1.00 53.42 H new ATOM 0 HD11 LEU A 432 -9.941 -4.524 10.288 1.00 51.43 H new ATOM 0 HD12 LEU A 432 -8.940 -5.100 8.934 1.00 51.43 H new ATOM 0 HD13 LEU A 432 -8.168 -4.546 10.438 1.00 51.43 H new ATOM 0 HD21 LEU A 432 -10.010 -2.106 10.842 1.00 4.33 H new ATOM 0 HD22 LEU A 432 -8.239 -2.070 11.016 1.00 4.33 H new ATOM 0 HD23 LEU A 432 -9.046 -0.947 9.897 1.00 4.33 H new ATOM 1088 N GLU A 433 -9.360 -4.024 5.924 1.00 71.45 N ATOM 1089 CA GLU A 433 -10.268 -3.747 4.848 1.00 32.45 C ATOM 1090 C GLU A 433 -11.201 -2.615 5.260 1.00 54.01 C ATOM 1091 O GLU A 433 -11.971 -2.743 6.211 1.00 71.44 O ATOM 1092 CB GLU A 433 -11.044 -5.012 4.518 1.00 11.42 C ATOM 1093 CG GLU A 433 -11.971 -4.913 3.339 1.00 61.32 C ATOM 1094 CD GLU A 433 -12.641 -6.226 3.076 1.00 1.31 C ATOM 1095 OE1 GLU A 433 -12.078 -7.054 2.339 1.00 14.13 O ATOM 1096 OE2 GLU A 433 -13.730 -6.464 3.626 1.00 50.02 O ATOM 0 H GLU A 433 -9.613 -4.826 6.501 1.00 71.45 H new ATOM 0 HA GLU A 433 -9.724 -3.434 3.957 1.00 32.45 H new ATOM 0 HB2 GLU A 433 -10.332 -5.816 4.332 1.00 11.42 H new ATOM 0 HB3 GLU A 433 -11.627 -5.299 5.393 1.00 11.42 H new ATOM 0 HG2 GLU A 433 -12.724 -4.147 3.526 1.00 61.32 H new ATOM 0 HG3 GLU A 433 -11.412 -4.602 2.457 1.00 61.32 H new ATOM 1103 N ALA A 434 -11.094 -1.501 4.550 1.00 4.13 N ATOM 1104 CA ALA A 434 -11.847 -0.299 4.851 1.00 23.25 C ATOM 1105 C ALA A 434 -13.279 -0.429 4.394 1.00 3.30 C ATOM 1106 O ALA A 434 -14.203 -0.487 5.210 1.00 43.23 O ATOM 1107 CB ALA A 434 -11.193 0.912 4.198 1.00 52.40 C ATOM 0 H ALA A 434 -10.477 -1.409 3.743 1.00 4.13 H new ATOM 0 HA ALA A 434 -11.846 -0.161 5.932 1.00 23.25 H new ATOM 0 HB1 ALA A 434 -11.769 1.807 4.432 1.00 52.40 H new ATOM 0 HB2 ALA A 434 -10.177 1.025 4.576 1.00 52.40 H new ATOM 0 HB3 ALA A 434 -11.164 0.772 3.117 1.00 52.40 H new ATOM 1113 N GLN A 435 -13.468 -0.484 3.098 1.00 10.40 N ATOM 1114 CA GLN A 435 -14.791 -0.616 2.543 1.00 32.32 C ATOM 1115 C GLN A 435 -15.038 -2.079 2.210 1.00 54.12 C ATOM 1116 O GLN A 435 -15.735 -2.791 2.934 1.00 61.30 O ATOM 1117 CB GLN A 435 -14.947 0.236 1.279 1.00 40.13 C ATOM 1118 CG GLN A 435 -14.677 1.721 1.443 1.00 22.15 C ATOM 1119 CD GLN A 435 -14.917 2.476 0.149 1.00 33.53 C ATOM 1120 OE1 GLN A 435 -13.898 2.622 -0.649 1.00 62.13 O flip ATOM 1121 NE2 GLN A 435 -16.020 2.934 -0.117 1.00 23.30 N flip ATOM 0 H GLN A 435 -12.719 -0.439 2.407 1.00 10.40 H new ATOM 0 HA GLN A 435 -15.518 -0.266 3.276 1.00 32.32 H new ATOM 0 HB2 GLN A 435 -14.273 -0.154 0.516 1.00 40.13 H new ATOM 0 HB3 GLN A 435 -15.962 0.110 0.902 1.00 40.13 H new ATOM 0 HG2 GLN A 435 -15.320 2.124 2.225 1.00 22.15 H new ATOM 0 HG3 GLN A 435 -13.647 1.871 1.767 1.00 22.15 H new ATOM 0 HE21 GLN A 435 -16.797 2.801 0.530 1.00 23.30 H new ATOM 0 HE22 GLN A 435 -16.163 3.448 -0.986 1.00 23.30 H new ATOM 1129 N LYS A 436 -14.446 -2.518 1.115 1.00 13.24 N ATOM 1130 CA LYS A 436 -14.503 -3.899 0.681 1.00 13.44 C ATOM 1131 C LYS A 436 -13.412 -4.186 -0.343 1.00 74.12 C ATOM 1132 O LYS A 436 -12.720 -5.182 -0.267 1.00 31.43 O ATOM 1133 CB LYS A 436 -15.906 -4.333 0.155 1.00 51.11 C ATOM 1134 CG LYS A 436 -16.500 -3.533 -1.028 1.00 43.31 C ATOM 1135 CD LYS A 436 -17.079 -2.182 -0.627 1.00 54.12 C ATOM 1136 CE LYS A 436 -18.269 -2.336 0.320 1.00 41.22 C ATOM 1137 NZ LYS A 436 -18.920 -1.045 0.615 1.00 12.13 N ATOM 0 H LYS A 436 -13.905 -1.916 0.494 1.00 13.24 H new ATOM 0 HA LYS A 436 -14.323 -4.507 1.568 1.00 13.44 H new ATOM 0 HB2 LYS A 436 -15.845 -5.380 -0.143 1.00 51.11 H new ATOM 0 HB3 LYS A 436 -16.609 -4.278 0.986 1.00 51.11 H new ATOM 0 HG2 LYS A 436 -15.723 -3.377 -1.776 1.00 43.31 H new ATOM 0 HG3 LYS A 436 -17.282 -4.127 -1.500 1.00 43.31 H new ATOM 0 HD2 LYS A 436 -16.306 -1.583 -0.146 1.00 54.12 H new ATOM 0 HD3 LYS A 436 -17.392 -1.641 -1.520 1.00 54.12 H new ATOM 0 HE2 LYS A 436 -18.998 -3.015 -0.123 1.00 41.22 H new ATOM 0 HE3 LYS A 436 -17.933 -2.792 1.251 1.00 41.22 H new ATOM 0 HZ1 LYS A 436 -19.721 -1.199 1.260 1.00 12.13 H new ATOM 0 HZ2 LYS A 436 -18.234 -0.404 1.062 1.00 12.13 H new ATOM 0 HZ3 LYS A 436 -19.265 -0.620 -0.269 1.00 12.13 H new ATOM 1151 N CYS A 437 -13.245 -3.288 -1.267 1.00 73.11 N ATOM 1152 CA CYS A 437 -12.227 -3.414 -2.295 1.00 51.12 C ATOM 1153 C CYS A 437 -11.113 -2.427 -2.016 1.00 1.41 C ATOM 1154 O CYS A 437 -10.208 -2.243 -2.811 1.00 4.33 O ATOM 1155 CB CYS A 437 -12.840 -3.118 -3.653 1.00 60.11 C ATOM 1156 SG CYS A 437 -14.244 -4.204 -4.123 1.00 74.22 S ATOM 0 H CYS A 437 -13.807 -2.440 -1.339 1.00 73.11 H new ATOM 0 HA CYS A 437 -11.826 -4.428 -2.293 1.00 51.12 H new ATOM 0 HB2 CYS A 437 -13.182 -2.083 -3.663 1.00 60.11 H new ATOM 0 HB3 CYS A 437 -12.063 -3.205 -4.412 1.00 60.11 H new ATOM 0 HG CYS A 437 -14.686 -3.858 -5.295 1.00 74.22 H new ATOM 1161 N GLU A 438 -11.185 -1.823 -0.873 1.00 44.22 N ATOM 1162 CA GLU A 438 -10.249 -0.828 -0.448 1.00 63.34 C ATOM 1163 C GLU A 438 -9.777 -1.160 0.932 1.00 30.43 C ATOM 1164 O GLU A 438 -10.583 -1.520 1.799 1.00 60.02 O ATOM 1165 CB GLU A 438 -10.886 0.549 -0.503 1.00 75.41 C ATOM 1166 CG GLU A 438 -10.064 1.658 0.146 1.00 44.32 C ATOM 1167 CD GLU A 438 -10.728 3.004 0.069 1.00 1.05 C ATOM 1168 OE1 GLU A 438 -11.517 3.336 0.975 1.00 71.44 O ATOM 1169 OE2 GLU A 438 -10.479 3.739 -0.893 1.00 42.34 O ATOM 0 H GLU A 438 -11.917 -2.013 -0.189 1.00 44.22 H new ATOM 0 HA GLU A 438 -9.388 -0.816 -1.117 1.00 63.34 H new ATOM 0 HB2 GLU A 438 -11.064 0.810 -1.546 1.00 75.41 H new ATOM 0 HB3 GLU A 438 -11.860 0.504 -0.015 1.00 75.41 H new ATOM 0 HG2 GLU A 438 -9.886 1.406 1.191 1.00 44.32 H new ATOM 0 HG3 GLU A 438 -9.089 1.712 -0.339 1.00 44.32 H new ATOM 1176 N TYR A 439 -8.494 -1.066 1.132 1.00 53.53 N ATOM 1177 CA TYR A 439 -7.884 -1.459 2.375 1.00 12.43 C ATOM 1178 C TYR A 439 -7.055 -0.307 2.929 1.00 3.32 C ATOM 1179 O TYR A 439 -6.537 0.503 2.172 1.00 14.32 O ATOM 1180 CB TYR A 439 -6.970 -2.679 2.103 1.00 14.52 C ATOM 1181 CG TYR A 439 -7.673 -3.776 1.321 1.00 5.00 C ATOM 1182 CD1 TYR A 439 -7.651 -3.780 -0.071 1.00 50.40 C ATOM 1183 CD2 TYR A 439 -8.389 -4.771 1.957 1.00 4.34 C ATOM 1184 CE1 TYR A 439 -8.314 -4.733 -0.796 1.00 42.32 C ATOM 1185 CE2 TYR A 439 -9.054 -5.740 1.231 1.00 11.42 C ATOM 1186 CZ TYR A 439 -9.014 -5.711 -0.144 1.00 14.42 C ATOM 1187 OH TYR A 439 -9.687 -6.668 -0.872 1.00 42.14 O ATOM 0 H TYR A 439 -7.837 -0.714 0.436 1.00 53.53 H new ATOM 0 HA TYR A 439 -8.651 -1.719 3.104 1.00 12.43 H new ATOM 0 HB2 TYR A 439 -6.089 -2.352 1.550 1.00 14.52 H new ATOM 0 HB3 TYR A 439 -6.619 -3.083 3.052 1.00 14.52 H new ATOM 0 HD1 TYR A 439 -7.097 -3.013 -0.591 1.00 50.40 H new ATOM 0 HD2 TYR A 439 -8.430 -4.792 3.036 1.00 4.34 H new ATOM 0 HE1 TYR A 439 -8.285 -4.713 -1.875 1.00 42.32 H new ATOM 0 HE2 TYR A 439 -9.603 -6.518 1.741 1.00 11.42 H new ATOM 0 HH TYR A 439 -10.133 -7.291 -0.261 1.00 42.14 H new ATOM 1197 N LEU A 440 -6.965 -0.218 4.227 1.00 53.22 N ATOM 1198 CA LEU A 440 -6.114 0.754 4.854 1.00 42.22 C ATOM 1199 C LEU A 440 -4.899 0.050 5.388 1.00 12.12 C ATOM 1200 O LEU A 440 -4.999 -0.872 6.212 1.00 51.04 O ATOM 1201 CB LEU A 440 -6.799 1.624 5.959 1.00 53.41 C ATOM 1202 CG LEU A 440 -7.424 0.924 7.187 1.00 75.32 C ATOM 1203 CD1 LEU A 440 -7.637 1.939 8.295 1.00 43.14 C ATOM 1204 CD2 LEU A 440 -8.770 0.326 6.835 1.00 22.30 C ATOM 0 H LEU A 440 -7.477 -0.814 4.877 1.00 53.22 H new ATOM 0 HA LEU A 440 -5.842 1.478 4.086 1.00 42.22 H new ATOM 0 HB2 LEU A 440 -6.056 2.332 6.327 1.00 53.41 H new ATOM 0 HB3 LEU A 440 -7.584 2.207 5.478 1.00 53.41 H new ATOM 0 HG LEU A 440 -6.745 0.134 7.510 1.00 75.32 H new ATOM 0 HD11 LEU A 440 -8.078 1.445 9.161 1.00 43.14 H new ATOM 0 HD12 LEU A 440 -6.679 2.378 8.576 1.00 43.14 H new ATOM 0 HD13 LEU A 440 -8.307 2.724 7.945 1.00 43.14 H new ATOM 0 HD21 LEU A 440 -9.192 -0.162 7.713 1.00 22.30 H new ATOM 0 HD22 LEU A 440 -9.443 1.116 6.500 1.00 22.30 H new ATOM 0 HD23 LEU A 440 -8.645 -0.407 6.038 1.00 22.30 H new ATOM 1212 N ILE A 441 -3.780 0.437 4.897 1.00 22.35 N ATOM 1213 CA ILE A 441 -2.525 -0.161 5.249 1.00 14.24 C ATOM 1214 C ILE A 441 -1.632 0.881 5.915 1.00 2.31 C ATOM 1215 O ILE A 441 -1.552 2.028 5.465 1.00 34.52 O ATOM 1216 CB ILE A 441 -1.849 -0.730 3.967 1.00 53.05 C ATOM 1217 CG1 ILE A 441 -2.696 -1.866 3.380 1.00 20.51 C ATOM 1218 CG2 ILE A 441 -0.418 -1.203 4.234 1.00 62.44 C ATOM 1219 CD1 ILE A 441 -2.277 -2.321 2.002 1.00 65.21 C ATOM 0 H ILE A 441 -3.698 1.197 4.221 1.00 22.35 H new ATOM 0 HA ILE A 441 -2.686 -0.978 5.952 1.00 14.24 H new ATOM 0 HB ILE A 441 -1.788 0.079 3.239 1.00 53.05 H new ATOM 0 HG12 ILE A 441 -2.654 -2.719 4.057 1.00 20.51 H new ATOM 0 HG13 ILE A 441 -3.736 -1.542 3.340 1.00 20.51 H new ATOM 0 HG21 ILE A 441 0.015 -1.592 3.312 1.00 62.44 H new ATOM 0 HG22 ILE A 441 0.181 -0.365 4.591 1.00 62.44 H new ATOM 0 HG23 ILE A 441 -0.429 -1.989 4.989 1.00 62.44 H new ATOM 0 HD11 ILE A 441 -2.933 -3.126 1.670 1.00 65.21 H new ATOM 0 HD12 ILE A 441 -2.347 -1.485 1.306 1.00 65.21 H new ATOM 0 HD13 ILE A 441 -1.249 -2.681 2.035 1.00 65.21 H new ATOM 1226 N LYS A 442 -1.004 0.511 6.998 1.00 70.43 N ATOM 1227 CA LYS A 442 -0.125 1.416 7.676 1.00 13.45 C ATOM 1228 C LYS A 442 1.305 0.994 7.416 1.00 14.44 C ATOM 1229 O LYS A 442 1.593 -0.199 7.351 1.00 24.50 O ATOM 1230 CB LYS A 442 -0.427 1.449 9.173 1.00 62.45 C ATOM 1231 CG LYS A 442 0.386 2.484 9.944 1.00 1.23 C ATOM 1232 CD LYS A 442 0.057 2.477 11.431 1.00 11.41 C ATOM 1233 CE LYS A 442 -1.419 2.727 11.676 1.00 34.14 C ATOM 1234 NZ LYS A 442 -1.744 2.785 13.116 1.00 74.14 N ATOM 0 H LYS A 442 -1.086 -0.411 7.427 1.00 70.43 H new ATOM 0 HA LYS A 442 -0.277 2.426 7.296 1.00 13.45 H new ATOM 0 HB2 LYS A 442 -1.488 1.655 9.315 1.00 62.45 H new ATOM 0 HB3 LYS A 442 -0.234 0.462 9.595 1.00 62.45 H new ATOM 0 HG2 LYS A 442 1.449 2.285 9.807 1.00 1.23 H new ATOM 0 HG3 LYS A 442 0.192 3.475 9.535 1.00 1.23 H new ATOM 0 HD2 LYS A 442 0.341 1.517 11.863 1.00 11.41 H new ATOM 0 HD3 LYS A 442 0.646 3.241 11.938 1.00 11.41 H new ATOM 0 HE2 LYS A 442 -1.711 3.664 11.202 1.00 34.14 H new ATOM 0 HE3 LYS A 442 -2.003 1.936 11.205 1.00 34.14 H new ATOM 0 HZ1 LYS A 442 -2.763 2.957 13.235 1.00 74.14 H new ATOM 0 HZ2 LYS A 442 -1.491 1.882 13.566 1.00 74.14 H new ATOM 0 HZ3 LYS A 442 -1.208 3.556 13.562 1.00 74.14 H new ATOM 1248 N MET A 443 2.178 1.946 7.225 1.00 55.01 N ATOM 1249 CA MET A 443 3.567 1.680 6.960 1.00 62.01 C ATOM 1250 C MET A 443 4.415 2.644 7.717 1.00 52.23 C ATOM 1251 O MET A 443 3.912 3.617 8.274 1.00 31.35 O ATOM 1252 CB MET A 443 3.904 1.793 5.474 1.00 25.32 C ATOM 1253 CG MET A 443 3.250 0.760 4.585 1.00 1.31 C ATOM 1254 SD MET A 443 3.780 0.909 2.869 1.00 44.22 S ATOM 1255 CE MET A 443 5.545 0.664 3.038 1.00 45.04 C ATOM 0 H MET A 443 1.943 2.938 7.249 1.00 55.01 H new ATOM 0 HA MET A 443 3.766 0.656 7.277 1.00 62.01 H new ATOM 0 HB2 MET A 443 3.613 2.784 5.126 1.00 25.32 H new ATOM 0 HB3 MET A 443 4.985 1.718 5.356 1.00 25.32 H new ATOM 0 HG2 MET A 443 3.490 -0.238 4.953 1.00 1.31 H new ATOM 0 HG3 MET A 443 2.167 0.868 4.640 1.00 1.31 H new ATOM 0 HE1 MET A 443 5.946 0.256 2.110 1.00 45.04 H new ATOM 0 HE2 MET A 443 6.026 1.618 3.253 1.00 45.04 H new ATOM 0 HE3 MET A 443 5.739 -0.032 3.854 1.00 45.04 H new ATOM 1265 N LYS A 444 5.686 2.378 7.755 1.00 5.53 N ATOM 1266 CA LYS A 444 6.626 3.255 8.408 1.00 13.03 C ATOM 1267 C LYS A 444 7.809 3.467 7.504 1.00 31.14 C ATOM 1268 O LYS A 444 8.013 2.698 6.561 1.00 12.31 O ATOM 1269 CB LYS A 444 7.105 2.679 9.727 1.00 45.31 C ATOM 1270 CG LYS A 444 6.016 2.356 10.693 1.00 41.04 C ATOM 1271 CD LYS A 444 5.459 3.611 11.289 1.00 24.44 C ATOM 1272 CE LYS A 444 4.304 3.298 12.178 1.00 4.40 C ATOM 1273 NZ LYS A 444 3.761 4.483 12.879 1.00 64.32 N ATOM 0 H LYS A 444 6.106 1.548 7.336 1.00 5.53 H new ATOM 0 HA LYS A 444 6.123 4.200 8.614 1.00 13.03 H new ATOM 0 HB2 LYS A 444 7.676 1.773 9.527 1.00 45.31 H new ATOM 0 HB3 LYS A 444 7.788 3.390 10.193 1.00 45.31 H new ATOM 0 HG2 LYS A 444 5.224 1.803 10.187 1.00 41.04 H new ATOM 0 HG3 LYS A 444 6.401 1.710 11.482 1.00 41.04 H new ATOM 0 HD2 LYS A 444 6.234 4.126 11.857 1.00 24.44 H new ATOM 0 HD3 LYS A 444 5.142 4.288 10.496 1.00 24.44 H new ATOM 0 HE2 LYS A 444 3.512 2.842 11.584 1.00 4.40 H new ATOM 0 HE3 LYS A 444 4.614 2.559 12.917 1.00 4.40 H new ATOM 0 HZ1 LYS A 444 3.437 4.207 13.828 1.00 64.32 H new ATOM 0 HZ2 LYS A 444 4.503 5.207 12.963 1.00 64.32 H new ATOM 0 HZ3 LYS A 444 2.961 4.869 12.339 1.00 64.32 H new ATOM 1287 N SER A 445 8.548 4.508 7.771 1.00 1.21 N ATOM 1288 CA SER A 445 9.742 4.855 7.016 1.00 1.15 C ATOM 1289 C SER A 445 10.454 6.010 7.729 1.00 64.04 C ATOM 1290 O SER A 445 9.799 6.833 8.374 1.00 25.42 O ATOM 1291 CB SER A 445 9.343 5.289 5.583 1.00 63.03 C ATOM 1292 OG SER A 445 10.474 5.531 4.749 1.00 12.22 O ATOM 0 H SER A 445 8.342 5.157 8.531 1.00 1.21 H new ATOM 0 HA SER A 445 10.407 3.994 6.952 1.00 1.15 H new ATOM 0 HB2 SER A 445 8.723 4.514 5.132 1.00 63.03 H new ATOM 0 HB3 SER A 445 8.736 6.193 5.637 1.00 63.03 H new ATOM 0 HG SER A 445 10.171 5.800 3.857 1.00 12.22 H new ATOM 1298 N PRO A 446 11.797 6.093 7.652 1.00 22.44 N ATOM 1299 CA PRO A 446 12.546 7.201 8.261 1.00 42.13 C ATOM 1300 C PRO A 446 12.257 8.498 7.529 1.00 51.22 C ATOM 1301 O PRO A 446 12.259 9.581 8.105 1.00 63.31 O ATOM 1302 CB PRO A 446 14.018 6.792 8.070 1.00 24.24 C ATOM 1303 CG PRO A 446 14.005 5.840 6.922 1.00 62.34 C ATOM 1304 CD PRO A 446 12.692 5.117 6.994 1.00 45.25 C ATOM 0 HA PRO A 446 12.284 7.370 9.306 1.00 42.13 H new ATOM 0 HB2 PRO A 446 14.645 7.658 7.858 1.00 24.24 H new ATOM 0 HB3 PRO A 446 14.417 6.322 8.969 1.00 24.24 H new ATOM 0 HG2 PRO A 446 14.106 6.370 5.975 1.00 62.34 H new ATOM 0 HG3 PRO A 446 14.839 5.141 6.986 1.00 62.34 H new ATOM 0 HD2 PRO A 446 12.329 4.844 6.003 1.00 45.25 H new ATOM 0 HD3 PRO A 446 12.773 4.195 7.569 1.00 45.25 H new ATOM 1312 N ALA A 447 11.924 8.356 6.267 1.00 73.20 N ATOM 1313 CA ALA A 447 11.635 9.466 5.410 1.00 4.42 C ATOM 1314 C ALA A 447 10.233 10.016 5.687 1.00 22.31 C ATOM 1315 O ALA A 447 9.889 11.114 5.259 1.00 31.14 O ATOM 1316 CB ALA A 447 11.791 9.038 3.968 1.00 1.34 C ATOM 0 H ALA A 447 11.847 7.449 5.807 1.00 73.20 H new ATOM 0 HA ALA A 447 12.340 10.273 5.611 1.00 4.42 H new ATOM 0 HB1 ALA A 447 11.572 9.881 3.313 1.00 1.34 H new ATOM 0 HB2 ALA A 447 12.814 8.702 3.797 1.00 1.34 H new ATOM 0 HB3 ALA A 447 11.100 8.222 3.754 1.00 1.34 H new ATOM 1322 N ALA A 448 9.438 9.247 6.426 1.00 24.14 N ATOM 1323 CA ALA A 448 8.091 9.650 6.800 1.00 72.32 C ATOM 1324 C ALA A 448 8.068 10.117 8.231 1.00 34.11 C ATOM 1325 O ALA A 448 7.009 10.236 8.849 1.00 13.35 O ATOM 1326 CB ALA A 448 7.144 8.496 6.657 1.00 3.31 C ATOM 0 H ALA A 448 9.711 8.330 6.780 1.00 24.14 H new ATOM 0 HA ALA A 448 7.783 10.462 6.141 1.00 72.32 H new ATOM 0 HB1 ALA A 448 6.140 8.812 6.940 1.00 3.31 H new ATOM 0 HB2 ALA A 448 7.139 8.156 5.621 1.00 3.31 H new ATOM 0 HB3 ALA A 448 7.464 7.680 7.305 1.00 3.31 H new