USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=27 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= 0.0424 F(o=-0.67,f=0.042) USER MOD Set 1.2: A 445 SER OG : rot 115:sc=-0.000619 USER MOD Set 2.1: A 419 THR OG1 : rot 35:sc= 1.01 USER MOD Set 2.2: A 442 LYS NZ :NH3+ -169:sc= 2.16 (180deg=1.17) USER MOD Set 3.1: A 374 TYR OH : rot -70:sc= -0.66 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.179 X(o=-0.48,f=-0.36) USER MOD Single : A 365 THR OG1 : rot 34:sc= 0.112 USER MOD Single : A 366 LYS NZ :NH3+ -165:sc= -0.0414 (180deg=-0.255) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.307 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= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 386 SER OG : rot -76:sc= 1.2 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.542 F(o=-1.1,f=-0.54) USER MOD Single : A 394 SER OG : rot 180:sc= -0.139 USER MOD Single : A 395 GLN : amide:sc= -2.29! C(o=-2.3!,f=-7.3!) USER MOD Single : A 398 ASN : amide:sc= 0.918 K(o=0.92,f=-0.061) USER MOD Single : A 401 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.04) USER MOD Single : A 402 TYR OH : rot -130:sc= -0.681 USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 406 GLN : amide:sc= -0.56 K(o=-0.56,f=-2.7!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 413 HIS : no HE2:sc= 0.326 K(o=0.33,f=-2.5!) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.126 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 163:sc= -0.453! (180deg=-1.48!) USER MOD Single : A 437 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 MET CE :methyl 158:sc= -0.684 (180deg=-2.11) USER MOD Single : A 444 LYS NZ :NH3+ -161:sc= 1.1 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.915 -2.852 -1.145 1.00 55.40 N ATOM 132 CA THR A 365 8.731 -3.260 0.221 1.00 52.12 C ATOM 133 C THR A 365 7.752 -4.424 0.275 1.00 3.54 C ATOM 134 O THR A 365 6.766 -4.424 -0.442 1.00 62.13 O ATOM 135 CB THR A 365 8.188 -2.085 1.056 1.00 44.51 C ATOM 136 OG1 THR A 365 9.101 -0.983 0.978 1.00 33.23 O ATOM 137 CG2 THR A 365 7.990 -2.480 2.510 1.00 55.12 C ATOM 0 HA THR A 365 9.691 -3.572 0.633 1.00 52.12 H new ATOM 0 HB THR A 365 7.218 -1.798 0.649 1.00 44.51 H new ATOM 0 HG1 THR A 365 9.517 -0.965 0.091 1.00 33.23 H new ATOM 0 HG21 THR A 365 7.606 -1.627 3.070 1.00 55.12 H new ATOM 0 HG22 THR A 365 7.278 -3.303 2.570 1.00 55.12 H new ATOM 0 HG23 THR A 365 8.944 -2.793 2.935 1.00 55.12 H new ATOM 143 N LYS A 366 8.038 -5.419 1.077 1.00 51.12 N ATOM 144 CA LYS A 366 7.136 -6.536 1.212 1.00 31.21 C ATOM 145 C LYS A 366 7.132 -7.082 2.628 1.00 63.13 C ATOM 146 O LYS A 366 8.131 -6.961 3.355 1.00 54.13 O ATOM 147 CB LYS A 366 7.370 -7.658 0.166 1.00 30.14 C ATOM 148 CG LYS A 366 8.720 -8.339 0.207 1.00 13.22 C ATOM 149 CD LYS A 366 9.836 -7.469 -0.341 1.00 72.51 C ATOM 150 CE LYS A 366 9.740 -7.280 -1.855 1.00 72.33 C ATOM 151 NZ LYS A 366 9.903 -8.555 -2.591 1.00 24.23 N ATOM 0 H LYS A 366 8.884 -5.479 1.644 1.00 51.12 H new ATOM 0 HA LYS A 366 6.143 -6.140 1.000 1.00 31.21 H new ATOM 0 HB2 LYS A 366 6.599 -8.417 0.300 1.00 30.14 H new ATOM 0 HB3 LYS A 366 7.230 -7.234 -0.828 1.00 30.14 H new ATOM 0 HG2 LYS A 366 8.952 -8.614 1.236 1.00 13.22 H new ATOM 0 HG3 LYS A 366 8.672 -9.265 -0.367 1.00 13.22 H new ATOM 0 HD2 LYS A 366 9.806 -6.495 0.146 1.00 72.51 H new ATOM 0 HD3 LYS A 366 10.798 -7.919 -0.094 1.00 72.51 H new ATOM 0 HE2 LYS A 366 8.774 -6.840 -2.104 1.00 72.33 H new ATOM 0 HE3 LYS A 366 10.505 -6.575 -2.180 1.00 72.33 H new ATOM 0 HZ1 LYS A 366 10.085 -8.355 -3.595 1.00 24.23 H new ATOM 0 HZ2 LYS A 366 10.704 -9.086 -2.193 1.00 24.23 H new ATOM 0 HZ3 LYS A 366 9.035 -9.120 -2.502 1.00 24.23 H new ATOM 165 N ARG A 367 6.008 -7.654 3.011 1.00 72.12 N ATOM 166 CA ARG A 367 5.803 -8.207 4.335 1.00 53.24 C ATOM 167 C ARG A 367 4.596 -9.140 4.256 1.00 53.44 C ATOM 168 O ARG A 367 3.578 -8.791 3.660 1.00 3.44 O ATOM 169 CB ARG A 367 5.584 -7.017 5.303 1.00 63.52 C ATOM 170 CG ARG A 367 5.459 -7.273 6.814 1.00 2.22 C ATOM 171 CD ARG A 367 4.157 -7.900 7.246 1.00 43.11 C ATOM 172 NE ARG A 367 3.876 -7.625 8.673 1.00 74.05 N ATOM 173 CZ ARG A 367 3.063 -8.344 9.474 1.00 21.33 C ATOM 174 NH1 ARG A 367 2.636 -9.532 9.104 1.00 21.30 N ATOM 175 NH2 ARG A 367 2.732 -7.877 10.674 1.00 34.40 N ATOM 0 H ARG A 367 5.197 -7.749 2.400 1.00 72.12 H new ATOM 0 HA ARG A 367 6.651 -8.786 4.701 1.00 53.24 H new ATOM 0 HB2 ARG A 367 6.413 -6.324 5.158 1.00 63.52 H new ATOM 0 HB3 ARG A 367 4.678 -6.502 4.985 1.00 63.52 H new ATOM 0 HG2 ARG A 367 6.279 -7.920 7.127 1.00 2.22 H new ATOM 0 HG3 ARG A 367 5.582 -6.326 7.340 1.00 2.22 H new ATOM 0 HD2 ARG A 367 3.343 -7.514 6.632 1.00 43.11 H new ATOM 0 HD3 ARG A 367 4.197 -8.977 7.082 1.00 43.11 H new ATOM 0 HE ARG A 367 4.340 -6.817 9.089 1.00 74.05 H new ATOM 0 HH11 ARG A 367 2.919 -9.918 8.203 1.00 21.30 H new ATOM 0 HH12 ARG A 367 2.022 -10.067 9.718 1.00 21.30 H new ATOM 0 HH21 ARG A 367 3.093 -6.976 10.988 1.00 34.40 H new ATOM 0 HH22 ARG A 367 2.117 -8.420 11.281 1.00 34.40 H new ATOM 187 N GLU A 368 4.715 -10.302 4.828 1.00 64.34 N ATOM 188 CA GLU A 368 3.665 -11.320 4.743 1.00 62.11 C ATOM 189 C GLU A 368 2.680 -11.132 5.842 1.00 2.53 C ATOM 190 O GLU A 368 3.057 -11.045 6.997 1.00 55.30 O ATOM 191 CB GLU A 368 4.242 -12.721 4.797 1.00 71.01 C ATOM 192 CG GLU A 368 5.179 -13.047 3.657 1.00 0.22 C ATOM 193 CD GLU A 368 5.747 -14.428 3.774 1.00 71.32 C ATOM 194 OE1 GLU A 368 6.791 -14.594 4.436 1.00 14.25 O ATOM 195 OE2 GLU A 368 5.154 -15.386 3.201 1.00 55.43 O ATOM 0 H GLU A 368 5.532 -10.587 5.368 1.00 64.34 H new ATOM 0 HA GLU A 368 3.163 -11.201 3.783 1.00 62.11 H new ATOM 0 HB2 GLU A 368 4.776 -12.846 5.739 1.00 71.01 H new ATOM 0 HB3 GLU A 368 3.423 -13.440 4.797 1.00 71.01 H new ATOM 0 HG2 GLU A 368 4.645 -12.954 2.711 1.00 0.22 H new ATOM 0 HG3 GLU A 368 5.992 -12.321 3.637 1.00 0.22 H new ATOM 202 N ILE A 369 1.424 -11.067 5.494 1.00 20.33 N ATOM 203 CA ILE A 369 0.386 -10.788 6.433 1.00 21.43 C ATOM 204 C ILE A 369 -0.712 -11.772 6.164 1.00 62.01 C ATOM 205 O ILE A 369 -1.161 -11.882 5.044 1.00 53.11 O ATOM 206 CB ILE A 369 -0.155 -9.344 6.206 1.00 55.24 C ATOM 207 CG1 ILE A 369 1.001 -8.362 6.161 1.00 32.00 C ATOM 208 CG2 ILE A 369 -1.105 -8.951 7.324 1.00 74.42 C ATOM 209 CD1 ILE A 369 0.616 -6.965 5.806 1.00 14.42 C ATOM 0 H ILE A 369 1.095 -11.209 4.539 1.00 20.33 H new ATOM 0 HA ILE A 369 0.753 -10.865 7.456 1.00 21.43 H new ATOM 0 HB ILE A 369 -0.693 -9.321 5.258 1.00 55.24 H new ATOM 0 HG12 ILE A 369 1.491 -8.353 7.134 1.00 32.00 H new ATOM 0 HG13 ILE A 369 1.735 -8.718 5.438 1.00 32.00 H new ATOM 0 HG21 ILE A 369 -1.473 -7.940 7.150 1.00 74.42 H new ATOM 0 HG22 ILE A 369 -1.946 -9.644 7.348 1.00 74.42 H new ATOM 0 HG23 ILE A 369 -0.579 -8.986 8.278 1.00 74.42 H new ATOM 0 HD11 ILE A 369 1.504 -6.334 5.798 1.00 14.42 H new ATOM 0 HD12 ILE A 369 0.154 -6.955 4.819 1.00 14.42 H new ATOM 0 HD13 ILE A 369 -0.093 -6.585 6.542 1.00 14.42 H new ATOM 216 N GLY A 370 -1.085 -12.540 7.152 1.00 54.13 N ATOM 217 CA GLY A 370 -2.149 -13.521 6.977 1.00 22.12 C ATOM 218 C GLY A 370 -1.776 -14.648 6.016 1.00 33.04 C ATOM 219 O GLY A 370 -2.637 -15.452 5.624 1.00 65.41 O ATOM 0 H GLY A 370 -0.677 -12.514 8.086 1.00 54.13 H new ATOM 0 HA2 GLY A 370 -2.403 -13.949 7.947 1.00 22.12 H new ATOM 0 HA3 GLY A 370 -3.042 -13.017 6.607 1.00 22.12 H new ATOM 223 N GLY A 371 -0.511 -14.708 5.637 1.00 70.32 N ATOM 224 CA GLY A 371 -0.060 -15.735 4.755 1.00 45.54 C ATOM 225 C GLY A 371 0.337 -15.210 3.405 1.00 20.41 C ATOM 226 O GLY A 371 1.136 -15.828 2.702 1.00 55.03 O ATOM 0 H GLY A 371 0.211 -14.051 5.934 1.00 70.32 H new ATOM 0 HA2 GLY A 371 0.791 -16.247 5.205 1.00 45.54 H new ATOM 0 HA3 GLY A 371 -0.850 -16.476 4.634 1.00 45.54 H new ATOM 230 N TYR A 372 -0.195 -14.073 3.042 1.00 30.24 N ATOM 231 CA TYR A 372 0.067 -13.499 1.752 1.00 3.11 C ATOM 232 C TYR A 372 1.093 -12.403 1.853 1.00 62.43 C ATOM 233 O TYR A 372 1.140 -11.678 2.846 1.00 53.23 O ATOM 234 CB TYR A 372 -1.239 -13.002 1.097 1.00 63.31 C ATOM 235 CG TYR A 372 -2.110 -12.167 1.997 1.00 74.14 C ATOM 236 CD1 TYR A 372 -1.836 -10.844 2.225 1.00 42.54 C ATOM 237 CD2 TYR A 372 -3.223 -12.722 2.618 1.00 74.12 C ATOM 238 CE1 TYR A 372 -2.628 -10.093 3.042 1.00 11.23 C ATOM 239 CE2 TYR A 372 -4.022 -11.966 3.440 1.00 54.23 C ATOM 240 CZ TYR A 372 -3.717 -10.647 3.647 1.00 34.22 C ATOM 241 OH TYR A 372 -4.502 -9.874 4.467 1.00 71.15 O ATOM 0 H TYR A 372 -0.820 -13.522 3.631 1.00 30.24 H new ATOM 0 HA TYR A 372 0.480 -14.275 1.107 1.00 3.11 H new ATOM 0 HB2 TYR A 372 -0.987 -12.418 0.212 1.00 63.31 H new ATOM 0 HB3 TYR A 372 -1.811 -13.865 0.757 1.00 63.31 H new ATOM 0 HD1 TYR A 372 -0.979 -10.389 1.750 1.00 42.54 H new ATOM 0 HD2 TYR A 372 -3.463 -13.762 2.452 1.00 74.12 H new ATOM 0 HE1 TYR A 372 -2.391 -9.053 3.211 1.00 11.23 H new ATOM 0 HE2 TYR A 372 -4.883 -12.408 3.919 1.00 54.23 H new ATOM 0 HH TYR A 372 -5.239 -10.415 4.820 1.00 71.15 H new ATOM 251 N THR A 373 1.916 -12.289 0.858 1.00 34.35 N ATOM 252 CA THR A 373 2.926 -11.277 0.849 1.00 73.20 C ATOM 253 C THR A 373 2.335 -9.966 0.374 1.00 74.15 C ATOM 254 O THR A 373 1.818 -9.884 -0.734 1.00 75.24 O ATOM 255 CB THR A 373 4.103 -11.656 -0.084 1.00 10.11 C ATOM 256 OG1 THR A 373 4.681 -12.909 0.329 1.00 0.31 O ATOM 257 CG2 THR A 373 5.181 -10.573 -0.052 1.00 21.21 C ATOM 0 H THR A 373 1.908 -12.890 0.034 1.00 34.35 H new ATOM 0 HA THR A 373 3.303 -11.180 1.867 1.00 73.20 H new ATOM 0 HB THR A 373 3.716 -11.749 -1.099 1.00 10.11 H new ATOM 0 HG1 THR A 373 5.423 -13.140 -0.268 1.00 0.31 H new ATOM 0 HG21 THR A 373 6.000 -10.856 -0.713 1.00 21.21 H new ATOM 0 HG22 THR A 373 4.756 -9.626 -0.385 1.00 21.21 H new ATOM 0 HG23 THR A 373 5.557 -10.464 0.965 1.00 21.21 H new ATOM 263 N TYR A 374 2.381 -8.967 1.204 1.00 44.52 N ATOM 264 CA TYR A 374 1.991 -7.674 0.781 1.00 60.12 C ATOM 265 C TYR A 374 3.179 -6.977 0.255 1.00 54.32 C ATOM 266 O TYR A 374 4.194 -6.885 0.934 1.00 52.13 O ATOM 267 CB TYR A 374 1.372 -6.868 1.890 1.00 44.25 C ATOM 268 CG TYR A 374 -0.064 -6.624 1.629 1.00 33.44 C ATOM 269 CD1 TYR A 374 -0.447 -5.781 0.602 1.00 10.10 C ATOM 270 CD2 TYR A 374 -1.036 -7.236 2.368 1.00 21.43 C ATOM 271 CE1 TYR A 374 -1.749 -5.553 0.325 1.00 4.42 C ATOM 272 CE2 TYR A 374 -2.368 -7.012 2.091 1.00 14.41 C ATOM 273 CZ TYR A 374 -2.719 -6.175 1.075 1.00 33.15 C ATOM 274 OH TYR A 374 -4.048 -5.964 0.811 1.00 11.13 O ATOM 0 H TYR A 374 2.686 -9.032 2.175 1.00 44.52 H new ATOM 0 HA TYR A 374 1.230 -7.782 0.009 1.00 60.12 H new ATOM 0 HB2 TYR A 374 1.489 -7.395 2.837 1.00 44.25 H new ATOM 0 HB3 TYR A 374 1.894 -5.916 1.988 1.00 44.25 H new ATOM 0 HD1 TYR A 374 0.312 -5.294 0.008 1.00 10.10 H new ATOM 0 HD2 TYR A 374 -0.760 -7.899 3.174 1.00 21.43 H new ATOM 0 HE1 TYR A 374 -2.026 -4.887 -0.479 1.00 4.42 H new ATOM 0 HE2 TYR A 374 -3.132 -7.499 2.679 1.00 14.41 H new ATOM 0 HH TYR A 374 -4.291 -5.049 1.064 1.00 11.13 H new ATOM 284 N LYS A 375 3.078 -6.508 -0.942 1.00 13.14 N ATOM 285 CA LYS A 375 4.194 -5.896 -1.576 1.00 52.03 C ATOM 286 C LYS A 375 3.808 -4.543 -2.061 1.00 75.11 C ATOM 287 O LYS A 375 2.796 -4.386 -2.726 1.00 4.01 O ATOM 288 CB LYS A 375 4.679 -6.718 -2.765 1.00 71.12 C ATOM 289 CG LYS A 375 6.014 -6.235 -3.319 1.00 72.45 C ATOM 290 CD LYS A 375 6.379 -6.948 -4.588 1.00 32.40 C ATOM 291 CE LYS A 375 5.510 -6.496 -5.744 1.00 15.33 C ATOM 292 NZ LYS A 375 5.795 -7.263 -6.971 1.00 52.42 N ATOM 0 H LYS A 375 2.227 -6.537 -1.504 1.00 13.14 H new ATOM 0 HA LYS A 375 4.999 -5.829 -0.844 1.00 52.03 H new ATOM 0 HB2 LYS A 375 4.773 -7.761 -2.464 1.00 71.12 H new ATOM 0 HB3 LYS A 375 3.929 -6.681 -3.555 1.00 71.12 H new ATOM 0 HG2 LYS A 375 5.964 -5.162 -3.506 1.00 72.45 H new ATOM 0 HG3 LYS A 375 6.795 -6.393 -2.575 1.00 72.45 H new ATOM 0 HD2 LYS A 375 7.427 -6.762 -4.824 1.00 32.40 H new ATOM 0 HD3 LYS A 375 6.270 -8.023 -4.447 1.00 32.40 H new ATOM 0 HE2 LYS A 375 4.460 -6.613 -5.477 1.00 15.33 H new ATOM 0 HE3 LYS A 375 5.676 -5.435 -5.931 1.00 15.33 H new ATOM 0 HZ1 LYS A 375 5.182 -6.927 -7.741 1.00 52.42 H new ATOM 0 HZ2 LYS A 375 6.791 -7.132 -7.239 1.00 52.42 H new ATOM 0 HZ3 LYS A 375 5.613 -8.272 -6.800 1.00 52.42 H new ATOM 306 N VAL A 376 4.596 -3.597 -1.755 1.00 12.13 N ATOM 307 CA VAL A 376 4.351 -2.249 -2.184 1.00 70.55 C ATOM 308 C VAL A 376 5.578 -1.685 -2.863 1.00 22.43 C ATOM 309 O VAL A 376 6.669 -1.645 -2.285 1.00 52.52 O ATOM 310 CB VAL A 376 3.861 -1.324 -1.011 1.00 52.42 C ATOM 311 CG1 VAL A 376 4.833 -1.340 0.138 1.00 74.41 C ATOM 312 CG2 VAL A 376 3.656 0.109 -1.482 1.00 75.34 C ATOM 0 H VAL A 376 5.441 -3.716 -1.196 1.00 12.13 H new ATOM 0 HA VAL A 376 3.536 -2.276 -2.908 1.00 70.55 H new ATOM 0 HB VAL A 376 2.905 -1.722 -0.672 1.00 52.42 H new ATOM 0 HG11 VAL A 376 4.467 -0.691 0.933 1.00 74.41 H new ATOM 0 HG12 VAL A 376 4.932 -2.357 0.516 1.00 74.41 H new ATOM 0 HG13 VAL A 376 5.805 -0.983 -0.203 1.00 74.41 H new ATOM 0 HG21 VAL A 376 3.317 0.722 -0.647 1.00 75.34 H new ATOM 0 HG22 VAL A 376 4.597 0.505 -1.864 1.00 75.34 H new ATOM 0 HG23 VAL A 376 2.907 0.128 -2.273 1.00 75.34 H new ATOM 318 N VAL A 377 5.429 -1.324 -4.108 1.00 73.54 N ATOM 319 CA VAL A 377 6.491 -0.689 -4.806 1.00 74.03 C ATOM 320 C VAL A 377 6.097 0.759 -4.978 1.00 13.43 C ATOM 321 O VAL A 377 5.102 1.071 -5.658 1.00 43.41 O ATOM 322 CB VAL A 377 6.756 -1.362 -6.172 1.00 10.05 C ATOM 323 CG1 VAL A 377 7.925 -0.699 -6.887 1.00 73.22 C ATOM 324 CG2 VAL A 377 7.030 -2.848 -5.974 1.00 52.54 C ATOM 0 H VAL A 377 4.578 -1.463 -4.653 1.00 73.54 H new ATOM 0 HA VAL A 377 7.421 -0.774 -4.244 1.00 74.03 H new ATOM 0 HB VAL A 377 5.869 -1.243 -6.794 1.00 10.05 H new ATOM 0 HG11 VAL A 377 8.091 -1.191 -7.846 1.00 73.22 H new ATOM 0 HG12 VAL A 377 7.699 0.354 -7.054 1.00 73.22 H new ATOM 0 HG13 VAL A 377 8.822 -0.785 -6.274 1.00 73.22 H new ATOM 0 HG21 VAL A 377 7.216 -3.316 -6.941 1.00 52.54 H new ATOM 0 HG22 VAL A 377 7.904 -2.975 -5.335 1.00 52.54 H new ATOM 0 HG23 VAL A 377 6.166 -3.318 -5.504 1.00 52.54 H new ATOM 330 N PHE A 378 6.866 1.632 -4.372 1.00 54.43 N ATOM 331 CA PHE A 378 6.542 3.043 -4.315 1.00 74.25 C ATOM 332 C PHE A 378 6.494 3.718 -5.663 1.00 1.12 C ATOM 333 O PHE A 378 7.398 3.559 -6.496 1.00 63.44 O ATOM 334 CB PHE A 378 7.440 3.796 -3.353 1.00 32.43 C ATOM 335 CG PHE A 378 7.244 3.416 -1.914 1.00 14.11 C ATOM 336 CD1 PHE A 378 6.267 4.038 -1.161 1.00 21.31 C ATOM 337 CD2 PHE A 378 8.038 2.453 -1.313 1.00 11.22 C ATOM 338 CE1 PHE A 378 6.078 3.710 0.162 1.00 41.33 C ATOM 339 CE2 PHE A 378 7.855 2.118 0.012 1.00 31.43 C ATOM 340 CZ PHE A 378 6.872 2.749 0.750 1.00 20.02 C ATOM 0 H PHE A 378 7.737 1.386 -3.902 1.00 54.43 H new ATOM 0 HA PHE A 378 5.524 3.082 -3.927 1.00 74.25 H new ATOM 0 HB2 PHE A 378 8.480 3.618 -3.627 1.00 32.43 H new ATOM 0 HB3 PHE A 378 7.259 4.865 -3.464 1.00 32.43 H new ATOM 0 HD1 PHE A 378 5.643 4.792 -1.617 1.00 21.31 H new ATOM 0 HD2 PHE A 378 8.808 1.960 -1.888 1.00 11.22 H new ATOM 0 HE1 PHE A 378 5.310 4.204 0.738 1.00 41.33 H new ATOM 0 HE2 PHE A 378 8.478 1.365 0.471 1.00 31.43 H new ATOM 0 HZ PHE A 378 6.726 2.489 1.788 1.00 20.02 H new ATOM 350 N TYR A 379 5.405 4.482 -5.854 1.00 50.54 N ATOM 351 CA TYR A 379 5.125 5.236 -7.050 1.00 15.41 C ATOM 352 C TYR A 379 4.855 4.332 -8.247 1.00 34.34 C ATOM 353 O TYR A 379 4.866 4.773 -9.394 1.00 4.43 O ATOM 354 CB TYR A 379 6.192 6.320 -7.278 1.00 4.33 C ATOM 355 CG TYR A 379 6.212 7.308 -6.110 1.00 43.02 C ATOM 356 CD1 TYR A 379 5.327 8.374 -6.068 1.00 62.42 C ATOM 357 CD2 TYR A 379 7.067 7.129 -5.032 1.00 34.14 C ATOM 358 CE1 TYR A 379 5.300 9.244 -4.988 1.00 30.22 C ATOM 359 CE2 TYR A 379 7.043 7.985 -3.947 1.00 51.33 C ATOM 360 CZ TYR A 379 6.160 9.038 -3.929 1.00 42.24 C ATOM 361 OH TYR A 379 6.131 9.876 -2.843 1.00 14.24 O ATOM 0 H TYR A 379 4.680 4.583 -5.144 1.00 50.54 H new ATOM 0 HA TYR A 379 4.189 5.778 -6.913 1.00 15.41 H new ATOM 0 HB2 TYR A 379 7.172 5.856 -7.386 1.00 4.33 H new ATOM 0 HB3 TYR A 379 5.986 6.851 -8.207 1.00 4.33 H new ATOM 0 HD1 TYR A 379 4.646 8.530 -6.891 1.00 62.42 H new ATOM 0 HD2 TYR A 379 7.765 6.305 -5.041 1.00 34.14 H new ATOM 0 HE1 TYR A 379 4.611 10.076 -4.976 1.00 30.22 H new ATOM 0 HE2 TYR A 379 7.715 7.827 -3.117 1.00 51.33 H new ATOM 0 HH TYR A 379 6.801 9.587 -2.189 1.00 14.24 H new ATOM 371 N GLU A 380 4.550 3.065 -7.949 1.00 23.45 N ATOM 372 CA GLU A 380 4.190 2.100 -8.964 1.00 53.53 C ATOM 373 C GLU A 380 2.887 1.364 -8.653 1.00 34.34 C ATOM 374 O GLU A 380 1.809 1.764 -9.113 1.00 23.43 O ATOM 375 CB GLU A 380 5.316 1.098 -9.254 1.00 54.52 C ATOM 376 CG GLU A 380 6.508 1.689 -9.971 1.00 14.45 C ATOM 377 CD GLU A 380 7.564 0.663 -10.292 1.00 12.25 C ATOM 378 OE1 GLU A 380 7.304 -0.240 -11.122 1.00 10.53 O ATOM 379 OE2 GLU A 380 8.680 0.759 -9.757 1.00 32.45 O ATOM 0 H GLU A 380 4.549 2.692 -7.000 1.00 23.45 H new ATOM 0 HA GLU A 380 4.026 2.688 -9.867 1.00 53.53 H new ATOM 0 HB2 GLU A 380 5.652 0.665 -8.312 1.00 54.52 H new ATOM 0 HB3 GLU A 380 4.914 0.282 -9.854 1.00 54.52 H new ATOM 0 HG2 GLU A 380 6.173 2.161 -10.895 1.00 14.45 H new ATOM 0 HG3 GLU A 380 6.946 2.473 -9.353 1.00 14.45 H new ATOM 386 N ASN A 381 2.976 0.327 -7.831 1.00 4.53 N ATOM 387 CA ASN A 381 1.836 -0.561 -7.582 1.00 1.52 C ATOM 388 C ASN A 381 2.029 -1.466 -6.361 1.00 11.43 C ATOM 389 O ASN A 381 3.163 -1.756 -5.957 1.00 65.10 O ATOM 390 CB ASN A 381 1.495 -1.391 -8.855 1.00 2.52 C ATOM 391 CG ASN A 381 2.716 -2.035 -9.552 1.00 24.13 C ATOM 392 OD1 ASN A 381 3.739 -2.396 -8.810 1.00 42.12 O flip ATOM 393 ND2 ASN A 381 2.711 -2.211 -10.770 1.00 11.43 N flip ATOM 0 H ASN A 381 3.824 0.076 -7.323 1.00 4.53 H new ATOM 0 HA ASN A 381 0.987 0.081 -7.346 1.00 1.52 H new ATOM 0 HB2 ASN A 381 0.793 -2.178 -8.582 1.00 2.52 H new ATOM 0 HB3 ASN A 381 0.986 -0.744 -9.569 1.00 2.52 H new ATOM 0 HD21 ASN A 381 1.905 -1.922 -11.324 1.00 11.43 H new ATOM 0 HD22 ASN A 381 3.513 -2.646 -11.226 1.00 11.43 H new ATOM 399 N VAL A 382 0.908 -1.901 -5.800 1.00 54.04 N ATOM 400 CA VAL A 382 0.855 -2.758 -4.608 1.00 2.41 C ATOM 401 C VAL A 382 0.289 -4.117 -4.992 1.00 33.15 C ATOM 402 O VAL A 382 -0.579 -4.209 -5.867 1.00 42.41 O ATOM 403 CB VAL A 382 -0.063 -2.133 -3.499 1.00 33.41 C ATOM 404 CG1 VAL A 382 -0.156 -3.020 -2.260 1.00 24.34 C ATOM 405 CG2 VAL A 382 0.435 -0.782 -3.106 1.00 42.22 C ATOM 0 H VAL A 382 -0.015 -1.666 -6.165 1.00 54.04 H new ATOM 0 HA VAL A 382 1.867 -2.855 -4.215 1.00 2.41 H new ATOM 0 HB VAL A 382 -1.061 -2.047 -3.928 1.00 33.41 H new ATOM 0 HG11 VAL A 382 -0.802 -2.546 -1.521 1.00 24.34 H new ATOM 0 HG12 VAL A 382 -0.572 -3.989 -2.537 1.00 24.34 H new ATOM 0 HG13 VAL A 382 0.839 -3.159 -1.837 1.00 24.34 H new ATOM 0 HG21 VAL A 382 -0.214 -0.365 -2.336 1.00 42.22 H new ATOM 0 HG22 VAL A 382 1.450 -0.867 -2.718 1.00 42.22 H new ATOM 0 HG23 VAL A 382 0.433 -0.126 -3.977 1.00 42.22 H new ATOM 411 N PHE A 383 0.779 -5.153 -4.355 1.00 53.41 N ATOM 412 CA PHE A 383 0.355 -6.508 -4.610 1.00 34.12 C ATOM 413 C PHE A 383 0.115 -7.263 -3.328 1.00 35.41 C ATOM 414 O PHE A 383 0.763 -7.015 -2.315 1.00 31.14 O ATOM 415 CB PHE A 383 1.397 -7.262 -5.451 1.00 21.35 C ATOM 416 CG PHE A 383 1.518 -6.761 -6.852 1.00 54.54 C ATOM 417 CD1 PHE A 383 2.306 -5.673 -7.141 1.00 1.20 C ATOM 418 CD2 PHE A 383 0.830 -7.377 -7.879 1.00 63.10 C ATOM 419 CE1 PHE A 383 2.408 -5.201 -8.417 1.00 64.12 C ATOM 420 CE2 PHE A 383 0.932 -6.911 -9.169 1.00 75.22 C ATOM 421 CZ PHE A 383 1.725 -5.815 -9.436 1.00 72.32 C ATOM 0 H PHE A 383 1.495 -5.077 -3.633 1.00 53.41 H new ATOM 0 HA PHE A 383 -0.582 -6.448 -5.164 1.00 34.12 H new ATOM 0 HB2 PHE A 383 2.368 -7.186 -4.963 1.00 21.35 H new ATOM 0 HB3 PHE A 383 1.135 -8.320 -5.475 1.00 21.35 H new ATOM 0 HD1 PHE A 383 2.852 -5.185 -6.347 1.00 1.20 H new ATOM 0 HD2 PHE A 383 0.206 -8.233 -7.667 1.00 63.10 H new ATOM 0 HE1 PHE A 383 3.028 -4.342 -8.625 1.00 64.12 H new ATOM 0 HE2 PHE A 383 0.394 -7.400 -9.968 1.00 75.22 H new ATOM 0 HZ PHE A 383 1.808 -5.441 -10.446 1.00 72.32 H new ATOM 431 N GLN A 384 -0.824 -8.156 -3.383 1.00 44.43 N ATOM 432 CA GLN A 384 -1.111 -9.066 -2.320 1.00 22.21 C ATOM 433 C GLN A 384 -0.902 -10.445 -2.882 1.00 73.11 C ATOM 434 O GLN A 384 -1.714 -10.907 -3.685 1.00 21.13 O ATOM 435 CB GLN A 384 -2.557 -8.933 -1.872 1.00 24.51 C ATOM 436 CG GLN A 384 -2.939 -9.845 -0.727 1.00 1.15 C ATOM 437 CD GLN A 384 -4.421 -9.836 -0.454 1.00 45.24 C ATOM 438 OE1 GLN A 384 -5.178 -10.622 -1.017 1.00 23.15 O ATOM 439 NE2 GLN A 384 -4.847 -8.962 0.392 1.00 3.33 N ATOM 0 H GLN A 384 -1.430 -8.275 -4.195 1.00 44.43 H new ATOM 0 HA GLN A 384 -0.472 -8.865 -1.460 1.00 22.21 H new ATOM 0 HB2 GLN A 384 -2.740 -7.900 -1.575 1.00 24.51 H new ATOM 0 HB3 GLN A 384 -3.209 -9.141 -2.720 1.00 24.51 H new ATOM 0 HG2 GLN A 384 -2.621 -10.862 -0.955 1.00 1.15 H new ATOM 0 HG3 GLN A 384 -2.405 -9.538 0.172 1.00 1.15 H new ATOM 0 HE21 GLN A 384 -4.190 -8.324 0.841 1.00 3.33 H new ATOM 0 HE22 GLN A 384 -5.841 -8.908 0.612 1.00 3.33 H new ATOM 447 N ASP A 385 0.199 -11.068 -2.512 1.00 63.22 N ATOM 448 CA ASP A 385 0.587 -12.406 -3.000 1.00 54.01 C ATOM 449 C ASP A 385 1.032 -12.329 -4.449 1.00 45.35 C ATOM 450 O ASP A 385 2.224 -12.219 -4.751 1.00 22.34 O ATOM 451 CB ASP A 385 -0.561 -13.428 -2.838 1.00 25.42 C ATOM 452 CG ASP A 385 -0.227 -14.820 -3.329 1.00 23.42 C ATOM 453 OD1 ASP A 385 0.452 -15.570 -2.606 1.00 21.35 O ATOM 454 OD2 ASP A 385 -0.691 -15.187 -4.432 1.00 55.10 O ATOM 0 H ASP A 385 0.868 -10.666 -1.856 1.00 63.22 H new ATOM 0 HA ASP A 385 1.422 -12.753 -2.391 1.00 54.01 H new ATOM 0 HB2 ASP A 385 -0.837 -13.483 -1.785 1.00 25.42 H new ATOM 0 HB3 ASP A 385 -1.435 -13.064 -3.378 1.00 25.42 H new ATOM 459 N SER A 386 0.073 -12.351 -5.313 1.00 51.51 N ATOM 460 CA SER A 386 0.273 -12.222 -6.725 1.00 71.42 C ATOM 461 C SER A 386 -0.888 -11.426 -7.309 1.00 71.40 C ATOM 462 O SER A 386 -0.985 -11.210 -8.524 1.00 5.02 O ATOM 463 CB SER A 386 0.376 -13.614 -7.356 1.00 61.14 C ATOM 464 OG SER A 386 -0.734 -14.423 -6.984 1.00 71.34 O ATOM 0 H SER A 386 -0.906 -12.463 -5.051 1.00 51.51 H new ATOM 0 HA SER A 386 1.201 -11.692 -6.937 1.00 71.42 H new ATOM 0 HB2 SER A 386 0.418 -13.524 -8.441 1.00 61.14 H new ATOM 0 HB3 SER A 386 1.303 -14.093 -7.040 1.00 61.14 H new ATOM 0 HG SER A 386 -0.617 -14.735 -6.062 1.00 71.34 H new ATOM 470 N ILE A 387 -1.764 -10.984 -6.422 1.00 71.24 N ATOM 471 CA ILE A 387 -2.929 -10.220 -6.793 1.00 63.11 C ATOM 472 C ILE A 387 -2.581 -8.747 -6.804 1.00 61.45 C ATOM 473 O ILE A 387 -1.948 -8.251 -5.872 1.00 23.51 O ATOM 474 CB ILE A 387 -4.084 -10.473 -5.788 1.00 42.13 C ATOM 475 CG1 ILE A 387 -4.402 -11.973 -5.720 1.00 31.41 C ATOM 476 CG2 ILE A 387 -5.332 -9.673 -6.168 1.00 23.32 C ATOM 477 CD1 ILE A 387 -5.489 -12.323 -4.732 1.00 31.20 C ATOM 0 H ILE A 387 -1.680 -11.150 -5.419 1.00 71.24 H new ATOM 0 HA ILE A 387 -3.254 -10.530 -7.786 1.00 63.11 H new ATOM 0 HB ILE A 387 -3.762 -10.136 -4.803 1.00 42.13 H new ATOM 0 HG12 ILE A 387 -4.700 -12.317 -6.710 1.00 31.41 H new ATOM 0 HG13 ILE A 387 -3.495 -12.515 -5.454 1.00 31.41 H new ATOM 0 HG21 ILE A 387 -6.124 -9.870 -5.446 1.00 23.32 H new ATOM 0 HG22 ILE A 387 -5.096 -8.609 -6.166 1.00 23.32 H new ATOM 0 HG23 ILE A 387 -5.665 -9.969 -7.163 1.00 23.32 H new ATOM 0 HD11 ILE A 387 -5.656 -13.400 -4.742 1.00 31.20 H new ATOM 0 HD12 ILE A 387 -5.186 -12.012 -3.732 1.00 31.20 H new ATOM 0 HD13 ILE A 387 -6.410 -11.810 -5.008 1.00 31.20 H new ATOM 484 N LEU A 388 -2.985 -8.055 -7.837 1.00 43.30 N ATOM 485 CA LEU A 388 -2.724 -6.642 -7.953 1.00 53.25 C ATOM 486 C LEU A 388 -3.691 -5.901 -7.063 1.00 40.53 C ATOM 487 O LEU A 388 -4.892 -5.962 -7.254 1.00 52.03 O ATOM 488 CB LEU A 388 -2.858 -6.187 -9.415 1.00 42.32 C ATOM 489 CG LEU A 388 -2.700 -4.685 -9.685 1.00 61.41 C ATOM 490 CD1 LEU A 388 -1.335 -4.172 -9.270 1.00 11.02 C ATOM 491 CD2 LEU A 388 -2.974 -4.372 -11.139 1.00 21.00 C ATOM 0 H LEU A 388 -3.503 -8.453 -8.620 1.00 43.30 H new ATOM 0 HA LEU A 388 -1.703 -6.425 -7.638 1.00 53.25 H new ATOM 0 HB2 LEU A 388 -2.114 -6.720 -10.007 1.00 42.32 H new ATOM 0 HB3 LEU A 388 -3.837 -6.497 -9.780 1.00 42.32 H new ATOM 0 HG LEU A 388 -3.437 -4.166 -9.073 1.00 61.41 H new ATOM 0 HD11 LEU A 388 -1.268 -3.104 -9.480 1.00 11.02 H new ATOM 0 HD12 LEU A 388 -1.191 -4.342 -8.203 1.00 11.02 H new ATOM 0 HD13 LEU A 388 -0.562 -4.700 -9.829 1.00 11.02 H new ATOM 0 HD21 LEU A 388 -2.857 -3.302 -11.309 1.00 21.00 H new ATOM 0 HD22 LEU A 388 -2.271 -4.919 -11.768 1.00 21.00 H new ATOM 0 HD23 LEU A 388 -3.992 -4.670 -11.390 1.00 21.00 H new ATOM 499 N LEU A 389 -3.180 -5.249 -6.077 1.00 51.20 N ATOM 500 CA LEU A 389 -3.983 -4.578 -5.156 1.00 51.24 C ATOM 501 C LEU A 389 -4.407 -3.251 -5.747 1.00 33.43 C ATOM 502 O LEU A 389 -5.580 -3.030 -5.995 1.00 51.55 O ATOM 503 CB LEU A 389 -3.153 -4.381 -3.937 1.00 41.13 C ATOM 504 CG LEU A 389 -3.846 -4.366 -2.619 1.00 23.33 C ATOM 505 CD1 LEU A 389 -4.902 -3.289 -2.520 1.00 41.00 C ATOM 506 CD2 LEU A 389 -4.402 -5.729 -2.284 1.00 4.32 C ATOM 0 H LEU A 389 -2.178 -5.175 -5.899 1.00 51.20 H new ATOM 0 HA LEU A 389 -4.886 -5.137 -4.911 1.00 51.24 H new ATOM 0 HB2 LEU A 389 -2.403 -5.171 -3.912 1.00 41.13 H new ATOM 0 HB3 LEU A 389 -2.618 -3.437 -4.045 1.00 41.13 H new ATOM 0 HG LEU A 389 -3.094 -4.115 -1.871 1.00 23.33 H new ATOM 0 HD11 LEU A 389 -5.371 -3.329 -1.537 1.00 41.00 H new ATOM 0 HD12 LEU A 389 -4.440 -2.312 -2.662 1.00 41.00 H new ATOM 0 HD13 LEU A 389 -5.657 -3.448 -3.289 1.00 41.00 H new ATOM 0 HD21 LEU A 389 -4.903 -5.690 -1.317 1.00 4.32 H new ATOM 0 HD22 LEU A 389 -5.116 -6.029 -3.051 1.00 4.32 H new ATOM 0 HD23 LEU A 389 -3.589 -6.454 -2.243 1.00 4.32 H new ATOM 514 N GLY A 390 -3.458 -2.387 -5.980 1.00 31.21 N ATOM 515 CA GLY A 390 -3.776 -1.121 -6.526 1.00 51.42 C ATOM 516 C GLY A 390 -2.578 -0.471 -7.136 1.00 54.43 C ATOM 517 O GLY A 390 -1.439 -0.822 -6.805 1.00 43.34 O ATOM 0 H GLY A 390 -2.467 -2.546 -5.798 1.00 31.21 H new ATOM 0 HA2 GLY A 390 -4.554 -1.234 -7.281 1.00 51.42 H new ATOM 0 HA3 GLY A 390 -4.182 -0.478 -5.745 1.00 51.42 H new ATOM 521 N ASN A 391 -2.820 0.445 -8.012 1.00 4.24 N ATOM 522 CA ASN A 391 -1.794 1.244 -8.620 1.00 51.33 C ATOM 523 C ASN A 391 -1.832 2.582 -7.964 1.00 65.31 C ATOM 524 O ASN A 391 -2.877 2.994 -7.468 1.00 20.20 O ATOM 525 CB ASN A 391 -2.003 1.390 -10.134 1.00 63.04 C ATOM 526 CG ASN A 391 -1.779 0.101 -10.903 1.00 1.30 C ATOM 527 OD1 ASN A 391 -2.819 -0.670 -11.094 1.00 20.51 O flip ATOM 528 ND2 ASN A 391 -0.661 -0.190 -11.334 1.00 20.40 N flip ATOM 0 H ASN A 391 -3.760 0.670 -8.338 1.00 4.24 H new ATOM 0 HA ASN A 391 -0.826 0.762 -8.485 1.00 51.33 H new ATOM 0 HB2 ASN A 391 -3.017 1.743 -10.320 1.00 63.04 H new ATOM 0 HB3 ASN A 391 -1.324 2.153 -10.515 1.00 63.04 H new ATOM 0 HD21 ASN A 391 0.128 0.434 -11.167 1.00 20.40 H new ATOM 0 HD22 ASN A 391 -0.525 -1.055 -11.858 1.00 20.40 H new ATOM 534 N PHE A 392 -0.738 3.256 -7.942 1.00 71.34 N ATOM 535 CA PHE A 392 -0.662 4.520 -7.247 1.00 54.41 C ATOM 536 C PHE A 392 -1.387 5.610 -8.007 1.00 53.05 C ATOM 537 O PHE A 392 -1.003 5.967 -9.129 1.00 42.41 O ATOM 538 CB PHE A 392 0.794 4.886 -6.978 1.00 62.25 C ATOM 539 CG PHE A 392 1.493 4.013 -5.948 1.00 71.21 C ATOM 540 CD1 PHE A 392 1.322 2.632 -5.921 1.00 12.23 C ATOM 541 CD2 PHE A 392 2.349 4.579 -5.030 1.00 5.21 C ATOM 542 CE1 PHE A 392 1.988 1.853 -5.005 1.00 41.20 C ATOM 543 CE2 PHE A 392 3.015 3.798 -4.105 1.00 1.25 C ATOM 544 CZ PHE A 392 2.834 2.438 -4.096 1.00 13.22 C ATOM 0 H PHE A 392 0.128 2.964 -8.395 1.00 71.34 H new ATOM 0 HA PHE A 392 -1.166 4.419 -6.286 1.00 54.41 H new ATOM 0 HB2 PHE A 392 1.347 4.830 -7.916 1.00 62.25 H new ATOM 0 HB3 PHE A 392 0.837 5.923 -6.644 1.00 62.25 H new ATOM 0 HD1 PHE A 392 0.655 2.165 -6.631 1.00 12.23 H new ATOM 0 HD2 PHE A 392 2.502 5.648 -5.033 1.00 5.21 H new ATOM 0 HE1 PHE A 392 1.846 0.782 -5.000 1.00 41.20 H new ATOM 0 HE2 PHE A 392 3.679 4.259 -3.388 1.00 1.25 H new ATOM 0 HZ PHE A 392 3.357 1.828 -3.374 1.00 13.22 H new ATOM 554 N ALA A 393 -2.432 6.131 -7.397 1.00 52.30 N ATOM 555 CA ALA A 393 -3.242 7.134 -8.030 1.00 13.32 C ATOM 556 C ALA A 393 -2.861 8.513 -7.551 1.00 71.24 C ATOM 557 O ALA A 393 -2.644 9.416 -8.359 1.00 53.33 O ATOM 558 CB ALA A 393 -4.716 6.862 -7.772 1.00 52.22 C ATOM 0 H ALA A 393 -2.736 5.870 -6.459 1.00 52.30 H new ATOM 0 HA ALA A 393 -3.065 7.091 -9.105 1.00 13.32 H new ATOM 0 HB1 ALA A 393 -5.318 7.630 -8.258 1.00 52.22 H new ATOM 0 HB2 ALA A 393 -4.981 5.884 -8.174 1.00 52.22 H new ATOM 0 HB3 ALA A 393 -4.906 6.876 -6.699 1.00 52.22 H new ATOM 564 N SER A 394 -2.743 8.693 -6.243 1.00 32.01 N ATOM 565 CA SER A 394 -2.371 9.979 -5.704 1.00 32.24 C ATOM 566 C SER A 394 -1.773 9.808 -4.331 1.00 43.50 C ATOM 567 O SER A 394 -2.263 9.024 -3.519 1.00 64.22 O ATOM 568 CB SER A 394 -3.600 10.900 -5.610 1.00 34.02 C ATOM 569 OG SER A 394 -4.201 11.117 -6.890 1.00 2.22 O ATOM 0 H SER A 394 -2.900 7.966 -5.545 1.00 32.01 H new ATOM 0 HA SER A 394 -1.636 10.431 -6.370 1.00 32.24 H new ATOM 0 HB2 SER A 394 -4.333 10.460 -4.934 1.00 34.02 H new ATOM 0 HB3 SER A 394 -3.305 11.857 -5.180 1.00 34.02 H new ATOM 0 HG SER A 394 -4.979 11.705 -6.791 1.00 2.22 H new ATOM 575 N GLN A 395 -0.721 10.528 -4.078 1.00 72.13 N ATOM 576 CA GLN A 395 -0.075 10.521 -2.814 1.00 51.20 C ATOM 577 C GLN A 395 0.379 11.904 -2.452 1.00 44.13 C ATOM 578 O GLN A 395 1.079 12.549 -3.215 1.00 64.24 O ATOM 579 CB GLN A 395 1.087 9.508 -2.750 1.00 2.24 C ATOM 580 CG GLN A 395 1.958 9.386 -4.003 1.00 21.53 C ATOM 581 CD GLN A 395 1.456 8.307 -4.992 1.00 1.04 C ATOM 582 OE1 GLN A 395 0.293 7.998 -5.079 1.00 14.34 O ATOM 583 NE2 GLN A 395 2.345 7.730 -5.728 1.00 45.13 N ATOM 0 H GLN A 395 -0.285 11.146 -4.762 1.00 72.13 H new ATOM 0 HA GLN A 395 -0.806 10.192 -2.075 1.00 51.20 H new ATOM 0 HB2 GLN A 395 1.730 9.779 -1.913 1.00 2.24 H new ATOM 0 HB3 GLN A 395 0.671 8.526 -2.527 1.00 2.24 H new ATOM 0 HG2 GLN A 395 1.989 10.350 -4.512 1.00 21.53 H new ATOM 0 HG3 GLN A 395 2.980 9.150 -3.706 1.00 21.53 H new ATOM 0 HE21 GLN A 395 3.326 7.998 -5.647 1.00 45.13 H new ATOM 0 HE22 GLN A 395 2.067 7.006 -6.390 1.00 45.13 H new ATOM 591 N GLU A 396 -0.022 12.358 -1.307 1.00 34.03 N ATOM 592 CA GLU A 396 0.313 13.677 -0.872 1.00 31.44 C ATOM 593 C GLU A 396 0.909 13.585 0.505 1.00 33.34 C ATOM 594 O GLU A 396 0.366 12.890 1.386 1.00 52.53 O ATOM 595 CB GLU A 396 -0.922 14.588 -0.892 1.00 25.25 C ATOM 596 CG GLU A 396 -0.630 16.044 -0.558 1.00 63.25 C ATOM 597 CD GLU A 396 -1.858 16.909 -0.640 1.00 21.13 C ATOM 598 OE1 GLU A 396 -2.179 17.401 -1.743 1.00 25.10 O ATOM 599 OE2 GLU A 396 -2.534 17.103 0.390 1.00 54.41 O ATOM 0 H GLU A 396 -0.590 11.826 -0.648 1.00 34.03 H new ATOM 0 HA GLU A 396 1.042 14.120 -1.551 1.00 31.44 H new ATOM 0 HB2 GLU A 396 -1.380 14.539 -1.880 1.00 25.25 H new ATOM 0 HB3 GLU A 396 -1.654 14.204 -0.182 1.00 25.25 H new ATOM 0 HG2 GLU A 396 -0.211 16.107 0.446 1.00 63.25 H new ATOM 0 HG3 GLU A 396 0.127 16.426 -1.243 1.00 63.25 H new ATOM 606 N GLY A 397 2.018 14.246 0.693 1.00 73.52 N ATOM 607 CA GLY A 397 2.705 14.183 1.936 1.00 34.13 C ATOM 608 C GLY A 397 3.310 12.825 2.150 1.00 62.44 C ATOM 609 O GLY A 397 4.314 12.486 1.541 1.00 50.42 O ATOM 0 H GLY A 397 2.461 14.837 -0.010 1.00 73.52 H new ATOM 0 HA2 GLY A 397 3.487 14.941 1.962 1.00 34.13 H new ATOM 0 HA3 GLY A 397 2.015 14.409 2.749 1.00 34.13 H new ATOM 613 N ASN A 398 2.686 12.045 2.982 1.00 73.42 N ATOM 614 CA ASN A 398 3.174 10.719 3.317 1.00 13.15 C ATOM 615 C ASN A 398 2.013 9.728 3.383 1.00 54.24 C ATOM 616 O ASN A 398 2.126 8.627 3.938 1.00 1.11 O ATOM 617 CB ASN A 398 3.978 10.779 4.637 1.00 33.42 C ATOM 618 CG ASN A 398 3.181 11.316 5.815 1.00 21.14 C ATOM 619 OD1 ASN A 398 3.082 12.536 6.003 1.00 12.45 O ATOM 620 ND2 ASN A 398 2.686 10.445 6.640 1.00 10.13 N ATOM 0 H ASN A 398 1.820 12.302 3.455 1.00 73.42 H new ATOM 0 HA ASN A 398 3.848 10.364 2.538 1.00 13.15 H new ATOM 0 HB2 ASN A 398 4.337 9.779 4.879 1.00 33.42 H new ATOM 0 HB3 ASN A 398 4.857 11.406 4.488 1.00 33.42 H new ATOM 0 HD21 ASN A 398 2.195 10.758 7.478 1.00 10.13 H new ATOM 0 HD22 ASN A 398 2.788 9.448 6.451 1.00 10.13 H new ATOM 626 N VAL A 399 0.903 10.118 2.777 1.00 3.14 N ATOM 627 CA VAL A 399 -0.281 9.275 2.691 1.00 61.30 C ATOM 628 C VAL A 399 -0.549 8.981 1.221 1.00 44.42 C ATOM 629 O VAL A 399 -0.771 9.902 0.414 1.00 31.41 O ATOM 630 CB VAL A 399 -1.519 9.956 3.332 1.00 2.42 C ATOM 631 CG1 VAL A 399 -2.751 9.061 3.231 1.00 23.22 C ATOM 632 CG2 VAL A 399 -1.239 10.323 4.785 1.00 5.42 C ATOM 0 H VAL A 399 0.796 11.029 2.330 1.00 3.14 H new ATOM 0 HA VAL A 399 -0.101 8.352 3.243 1.00 61.30 H new ATOM 0 HB VAL A 399 -1.723 10.873 2.779 1.00 2.42 H new ATOM 0 HG11 VAL A 399 -3.604 9.563 3.688 1.00 23.22 H new ATOM 0 HG12 VAL A 399 -2.968 8.858 2.182 1.00 23.22 H new ATOM 0 HG13 VAL A 399 -2.562 8.122 3.750 1.00 23.22 H new ATOM 0 HG21 VAL A 399 -2.120 10.799 5.216 1.00 5.42 H new ATOM 0 HG22 VAL A 399 -1.002 9.421 5.349 1.00 5.42 H new ATOM 0 HG23 VAL A 399 -0.395 11.012 4.830 1.00 5.42 H new ATOM 638 N LEU A 400 -0.528 7.726 0.878 1.00 42.52 N ATOM 639 CA LEU A 400 -0.628 7.308 -0.496 1.00 35.42 C ATOM 640 C LEU A 400 -1.943 6.561 -0.748 1.00 34.33 C ATOM 641 O LEU A 400 -2.339 5.697 0.044 1.00 15.35 O ATOM 642 CB LEU A 400 0.572 6.411 -0.894 1.00 73.24 C ATOM 643 CG LEU A 400 2.029 6.987 -0.816 1.00 44.41 C ATOM 644 CD1 LEU A 400 2.503 7.244 0.600 1.00 33.45 C ATOM 645 CD2 LEU A 400 3.006 6.089 -1.540 1.00 12.31 C ATOM 0 H LEU A 400 -0.441 6.958 1.544 1.00 42.52 H new ATOM 0 HA LEU A 400 -0.612 8.206 -1.114 1.00 35.42 H new ATOM 0 HB2 LEU A 400 0.538 5.523 -0.263 1.00 73.24 H new ATOM 0 HB3 LEU A 400 0.406 6.081 -1.919 1.00 73.24 H new ATOM 0 HG LEU A 400 1.992 7.956 -1.313 1.00 44.41 H new ATOM 0 HD11 LEU A 400 3.518 7.641 0.578 1.00 33.45 H new ATOM 0 HD12 LEU A 400 1.841 7.965 1.080 1.00 33.45 H new ATOM 0 HD13 LEU A 400 2.491 6.311 1.163 1.00 33.45 H new ATOM 0 HD21 LEU A 400 4.008 6.511 -1.471 1.00 12.31 H new ATOM 0 HD22 LEU A 400 2.997 5.099 -1.084 1.00 12.31 H new ATOM 0 HD23 LEU A 400 2.718 6.008 -2.588 1.00 12.31 H new ATOM 653 N LYS A 401 -2.606 6.884 -1.846 1.00 34.01 N ATOM 654 CA LYS A 401 -3.870 6.258 -2.192 1.00 3.15 C ATOM 655 C LYS A 401 -3.683 5.472 -3.475 1.00 1.53 C ATOM 656 O LYS A 401 -3.216 6.014 -4.493 1.00 64.03 O ATOM 657 CB LYS A 401 -4.951 7.322 -2.404 1.00 43.43 C ATOM 658 CG LYS A 401 -6.396 6.783 -2.419 1.00 24.22 C ATOM 659 CD LYS A 401 -6.743 6.095 -1.100 1.00 2.04 C ATOM 660 CE LYS A 401 -8.218 5.674 -1.007 1.00 71.21 C ATOM 661 NZ LYS A 401 -8.626 4.708 -2.060 1.00 20.13 N ATOM 0 H LYS A 401 -2.286 7.582 -2.517 1.00 34.01 H new ATOM 0 HA LYS A 401 -4.182 5.599 -1.382 1.00 3.15 H new ATOM 0 HB2 LYS A 401 -4.865 8.069 -1.615 1.00 43.43 H new ATOM 0 HB3 LYS A 401 -4.759 7.832 -3.348 1.00 43.43 H new ATOM 0 HG2 LYS A 401 -7.091 7.603 -2.598 1.00 24.22 H new ATOM 0 HG3 LYS A 401 -6.516 6.078 -3.242 1.00 24.22 H new ATOM 0 HD2 LYS A 401 -6.112 5.214 -0.980 1.00 2.04 H new ATOM 0 HD3 LYS A 401 -6.511 6.768 -0.275 1.00 2.04 H new ATOM 0 HE2 LYS A 401 -8.400 5.231 -0.028 1.00 71.21 H new ATOM 0 HE3 LYS A 401 -8.846 6.562 -1.077 1.00 71.21 H new ATOM 0 HZ1 LYS A 401 -9.471 4.189 -1.746 1.00 20.13 H new ATOM 0 HZ2 LYS A 401 -8.842 5.222 -2.938 1.00 20.13 H new ATOM 0 HZ3 LYS A 401 -7.851 4.036 -2.234 1.00 20.13 H new ATOM 675 N TYR A 402 -4.013 4.214 -3.436 1.00 4.34 N ATOM 676 CA TYR A 402 -3.833 3.361 -4.582 1.00 12.31 C ATOM 677 C TYR A 402 -5.195 2.896 -5.050 1.00 74.40 C ATOM 678 O TYR A 402 -6.064 2.628 -4.220 1.00 2.33 O ATOM 679 CB TYR A 402 -2.983 2.138 -4.212 1.00 43.10 C ATOM 680 CG TYR A 402 -1.849 2.428 -3.259 1.00 22.01 C ATOM 681 CD1 TYR A 402 -0.915 3.385 -3.534 1.00 53.23 C ATOM 682 CD2 TYR A 402 -1.717 1.717 -2.078 1.00 65.13 C ATOM 683 CE1 TYR A 402 0.116 3.630 -2.676 1.00 60.12 C ATOM 684 CE2 TYR A 402 -0.681 1.967 -1.214 1.00 23.10 C ATOM 685 CZ TYR A 402 0.232 2.923 -1.522 1.00 43.04 C ATOM 686 OH TYR A 402 1.286 3.164 -0.676 1.00 62.05 O ATOM 0 H TYR A 402 -4.411 3.751 -2.619 1.00 4.34 H new ATOM 0 HA TYR A 402 -3.323 3.915 -5.370 1.00 12.31 H new ATOM 0 HB2 TYR A 402 -3.631 1.383 -3.767 1.00 43.10 H new ATOM 0 HB3 TYR A 402 -2.572 1.707 -5.125 1.00 43.10 H new ATOM 0 HD1 TYR A 402 -0.994 3.958 -4.446 1.00 53.23 H new ATOM 0 HD2 TYR A 402 -2.441 0.954 -1.833 1.00 65.13 H new ATOM 0 HE1 TYR A 402 0.845 4.391 -2.915 1.00 60.12 H new ATOM 0 HE2 TYR A 402 -0.593 1.407 -0.295 1.00 23.10 H new ATOM 0 HH TYR A 402 1.717 2.316 -0.440 1.00 62.05 H new ATOM 696 N GLU A 403 -5.381 2.814 -6.355 1.00 71.54 N ATOM 697 CA GLU A 403 -6.640 2.391 -6.969 1.00 11.13 C ATOM 698 C GLU A 403 -6.338 1.628 -8.246 1.00 53.22 C ATOM 699 O GLU A 403 -5.183 1.496 -8.630 1.00 50.42 O ATOM 700 CB GLU A 403 -7.530 3.589 -7.344 1.00 50.21 C ATOM 701 CG GLU A 403 -7.951 4.494 -6.211 1.00 25.41 C ATOM 702 CD GLU A 403 -8.897 5.566 -6.686 1.00 20.21 C ATOM 703 OE1 GLU A 403 -8.441 6.573 -7.257 1.00 22.42 O ATOM 704 OE2 GLU A 403 -10.121 5.411 -6.493 1.00 40.23 O ATOM 0 H GLU A 403 -4.654 3.042 -7.034 1.00 71.54 H new ATOM 0 HA GLU A 403 -7.166 1.773 -6.241 1.00 11.13 H new ATOM 0 HB2 GLU A 403 -7.000 4.190 -8.082 1.00 50.21 H new ATOM 0 HB3 GLU A 403 -8.429 3.208 -7.829 1.00 50.21 H new ATOM 0 HG2 GLU A 403 -8.431 3.903 -5.430 1.00 25.41 H new ATOM 0 HG3 GLU A 403 -7.070 4.956 -5.765 1.00 25.41 H new ATOM 711 N ASN A 404 -7.381 1.115 -8.881 1.00 0.10 N ATOM 712 CA ASN A 404 -7.287 0.476 -10.207 1.00 62.32 C ATOM 713 C ASN A 404 -6.466 -0.797 -10.185 1.00 33.02 C ATOM 714 O ASN A 404 -5.779 -1.123 -11.149 1.00 41.30 O ATOM 715 CB ASN A 404 -6.725 1.457 -11.257 1.00 10.21 C ATOM 716 CG ASN A 404 -7.548 2.714 -11.368 1.00 3.35 C ATOM 717 OD1 ASN A 404 -7.258 3.722 -10.722 1.00 24.44 O ATOM 718 ND2 ASN A 404 -8.586 2.657 -12.143 1.00 65.34 N ATOM 0 H ASN A 404 -8.326 1.125 -8.498 1.00 0.10 H new ATOM 0 HA ASN A 404 -8.303 0.200 -10.488 1.00 62.32 H new ATOM 0 HB2 ASN A 404 -5.700 1.719 -10.993 1.00 10.21 H new ATOM 0 HB3 ASN A 404 -6.688 0.963 -12.228 1.00 10.21 H new ATOM 0 HD21 ASN A 404 -9.199 3.467 -12.235 1.00 65.34 H new ATOM 0 HD22 ASN A 404 -8.790 1.802 -12.660 1.00 65.34 H new ATOM 724 N GLY A 405 -6.574 -1.533 -9.113 1.00 12.20 N ATOM 725 CA GLY A 405 -5.878 -2.806 -9.017 1.00 52.34 C ATOM 726 C GLY A 405 -6.616 -3.937 -9.734 1.00 35.14 C ATOM 727 O GLY A 405 -7.136 -3.752 -10.837 1.00 55.50 O ATOM 0 H GLY A 405 -7.130 -1.284 -8.295 1.00 12.20 H new ATOM 0 HA2 GLY A 405 -4.879 -2.703 -9.442 1.00 52.34 H new ATOM 0 HA3 GLY A 405 -5.752 -3.068 -7.967 1.00 52.34 H new ATOM 731 N GLN A 406 -6.669 -5.090 -9.115 1.00 55.13 N ATOM 732 CA GLN A 406 -7.348 -6.255 -9.680 1.00 22.02 C ATOM 733 C GLN A 406 -8.849 -6.023 -9.482 1.00 0.44 C ATOM 734 O GLN A 406 -9.245 -5.345 -8.533 1.00 54.13 O ATOM 735 CB GLN A 406 -6.808 -7.532 -8.956 1.00 32.31 C ATOM 736 CG GLN A 406 -7.090 -8.925 -9.572 1.00 44.33 C ATOM 737 CD GLN A 406 -8.508 -9.427 -9.438 1.00 52.32 C ATOM 738 OE1 GLN A 406 -9.344 -9.215 -10.302 1.00 23.31 O ATOM 739 NE2 GLN A 406 -8.779 -10.098 -8.351 1.00 51.34 N ATOM 0 H GLN A 406 -6.245 -5.259 -8.203 1.00 55.13 H new ATOM 0 HA GLN A 406 -7.163 -6.398 -10.745 1.00 22.02 H new ATOM 0 HB2 GLN A 406 -5.727 -7.426 -8.866 1.00 32.31 H new ATOM 0 HB3 GLN A 406 -7.214 -7.532 -7.944 1.00 32.31 H new ATOM 0 HG2 GLN A 406 -6.835 -8.892 -10.631 1.00 44.33 H new ATOM 0 HG3 GLN A 406 -6.422 -9.650 -9.106 1.00 44.33 H new ATOM 0 HE21 GLN A 406 -8.052 -10.253 -7.653 1.00 51.34 H new ATOM 0 HE22 GLN A 406 -9.718 -10.467 -8.200 1.00 51.34 H new ATOM 747 N SER A 407 -9.652 -6.532 -10.370 1.00 61.15 N ATOM 748 CA SER A 407 -11.081 -6.277 -10.375 1.00 3.11 C ATOM 749 C SER A 407 -11.805 -6.779 -9.105 1.00 14.03 C ATOM 750 O SER A 407 -11.478 -7.827 -8.539 1.00 3.12 O ATOM 751 CB SER A 407 -11.699 -6.869 -11.629 1.00 2.30 C ATOM 752 OG SER A 407 -11.078 -6.317 -12.789 1.00 34.43 O ATOM 0 H SER A 407 -9.339 -7.144 -11.124 1.00 61.15 H new ATOM 0 HA SER A 407 -11.213 -5.195 -10.374 1.00 3.11 H new ATOM 0 HB2 SER A 407 -11.582 -7.953 -11.625 1.00 2.30 H new ATOM 0 HB3 SER A 407 -12.769 -6.664 -11.648 1.00 2.30 H new ATOM 0 HG SER A 407 -11.482 -6.706 -13.593 1.00 34.43 H new ATOM 826 N HIS A 413 -12.278 -1.884 -9.319 1.00 75.15 N ATOM 827 CA HIS A 413 -11.021 -2.543 -9.037 1.00 73.23 C ATOM 828 C HIS A 413 -10.751 -2.436 -7.551 1.00 3.41 C ATOM 829 O HIS A 413 -11.493 -1.754 -6.841 1.00 4.24 O ATOM 830 CB HIS A 413 -9.850 -1.867 -9.800 1.00 42.30 C ATOM 831 CG HIS A 413 -9.941 -1.911 -11.304 1.00 41.45 C ATOM 832 ND1 HIS A 413 -9.413 -2.925 -12.060 1.00 1.33 N ATOM 833 CD2 HIS A 413 -10.526 -1.062 -12.185 1.00 23.13 C ATOM 834 CE1 HIS A 413 -9.674 -2.711 -13.321 1.00 34.31 C ATOM 835 NE2 HIS A 413 -10.344 -1.592 -13.426 1.00 60.15 N ATOM 0 HA HIS A 413 -11.090 -3.583 -9.356 1.00 73.23 H new ATOM 0 HB2 HIS A 413 -9.791 -0.824 -9.488 1.00 42.30 H new ATOM 0 HB3 HIS A 413 -8.918 -2.344 -9.496 1.00 42.30 H new ATOM 0 HD1 HIS A 413 -8.896 -3.724 -11.694 1.00 1.33 H new ATOM 0 HD2 HIS A 413 -11.038 -0.141 -11.948 1.00 23.13 H new ATOM 0 HE1 HIS A 413 -9.385 -3.351 -14.141 1.00 34.31 H new ATOM 844 N ARG A 414 -9.735 -3.128 -7.078 1.00 30.33 N ATOM 845 CA ARG A 414 -9.294 -2.988 -5.709 1.00 54.43 C ATOM 846 C ARG A 414 -8.497 -1.731 -5.540 1.00 61.34 C ATOM 847 O ARG A 414 -8.041 -1.117 -6.532 1.00 51.10 O ATOM 848 CB ARG A 414 -8.485 -4.189 -5.225 1.00 34.04 C ATOM 849 CG ARG A 414 -9.309 -5.426 -4.966 1.00 43.12 C ATOM 850 CD ARG A 414 -8.433 -6.628 -4.628 1.00 64.55 C ATOM 851 NE ARG A 414 -9.215 -7.871 -4.549 1.00 55.50 N ATOM 852 CZ ARG A 414 -8.829 -9.013 -3.948 1.00 3.12 C ATOM 853 NH1 ARG A 414 -7.723 -9.057 -3.197 1.00 60.24 N ATOM 854 NH2 ARG A 414 -9.582 -10.098 -4.070 1.00 51.24 N ATOM 0 H ARG A 414 -9.197 -3.798 -7.628 1.00 30.33 H new ATOM 0 HA ARG A 414 -10.193 -2.935 -5.094 1.00 54.43 H new ATOM 0 HB2 ARG A 414 -7.723 -4.423 -5.968 1.00 34.04 H new ATOM 0 HB3 ARG A 414 -7.963 -3.915 -4.308 1.00 34.04 H new ATOM 0 HG2 ARG A 414 -10.000 -5.237 -4.145 1.00 43.12 H new ATOM 0 HG3 ARG A 414 -9.913 -5.652 -5.845 1.00 43.12 H new ATOM 0 HD2 ARG A 414 -7.656 -6.735 -5.385 1.00 64.55 H new ATOM 0 HD3 ARG A 414 -7.930 -6.455 -3.677 1.00 64.55 H new ATOM 0 HE ARG A 414 -10.135 -7.868 -4.990 1.00 55.50 H new ATOM 0 HH11 ARG A 414 -7.157 -8.217 -3.072 1.00 60.24 H new ATOM 0 HH12 ARG A 414 -7.445 -9.930 -2.749 1.00 60.24 H new ATOM 0 HH21 ARG A 414 -10.444 -10.062 -4.615 1.00 51.24 H new ATOM 0 HH22 ARG A 414 -9.299 -10.968 -3.619 1.00 51.24 H new ATOM 866 N SER A 415 -8.318 -1.357 -4.315 1.00 52.43 N ATOM 867 CA SER A 415 -7.640 -0.178 -3.972 1.00 60.15 C ATOM 868 C SER A 415 -7.155 -0.275 -2.523 1.00 43.22 C ATOM 869 O SER A 415 -7.585 -1.163 -1.778 1.00 34.42 O ATOM 870 CB SER A 415 -8.583 1.018 -4.175 1.00 34.22 C ATOM 871 OG SER A 415 -9.786 0.848 -3.437 1.00 62.43 O ATOM 0 H SER A 415 -8.654 -1.888 -3.512 1.00 52.43 H new ATOM 0 HA SER A 415 -6.767 -0.038 -4.609 1.00 60.15 H new ATOM 0 HB2 SER A 415 -8.086 1.936 -3.861 1.00 34.22 H new ATOM 0 HB3 SER A 415 -8.814 1.128 -5.234 1.00 34.22 H new ATOM 0 HG SER A 415 -10.370 1.622 -3.580 1.00 62.43 H new ATOM 877 N ALA A 416 -6.280 0.620 -2.129 1.00 54.23 N ATOM 878 CA ALA A 416 -5.725 0.621 -0.802 1.00 24.35 C ATOM 879 C ALA A 416 -5.221 1.986 -0.464 1.00 21.12 C ATOM 880 O ALA A 416 -4.882 2.766 -1.342 1.00 42.15 O ATOM 881 CB ALA A 416 -4.596 -0.391 -0.684 1.00 40.42 C ATOM 0 H ALA A 416 -5.933 1.371 -2.726 1.00 54.23 H new ATOM 0 HA ALA A 416 -6.511 0.340 -0.101 1.00 24.35 H new ATOM 0 HB1 ALA A 416 -4.193 -0.371 0.329 1.00 40.42 H new ATOM 0 HB2 ALA A 416 -4.977 -1.388 -0.903 1.00 40.42 H new ATOM 0 HB3 ALA A 416 -3.807 -0.140 -1.393 1.00 40.42 H new ATOM 887 N ILE A 417 -5.229 2.288 0.778 1.00 44.44 N ATOM 888 CA ILE A 417 -4.690 3.519 1.271 1.00 62.20 C ATOM 889 C ILE A 417 -3.601 3.222 2.295 1.00 44.42 C ATOM 890 O ILE A 417 -3.828 2.510 3.270 1.00 61.22 O ATOM 891 CB ILE A 417 -5.786 4.472 1.857 1.00 14.13 C ATOM 892 CG1 ILE A 417 -5.147 5.773 2.381 1.00 3.12 C ATOM 893 CG2 ILE A 417 -6.630 3.785 2.933 1.00 53.22 C ATOM 894 CD1 ILE A 417 -6.134 6.778 2.939 1.00 44.23 C ATOM 0 H ILE A 417 -5.615 1.683 1.503 1.00 44.44 H new ATOM 0 HA ILE A 417 -4.255 4.055 0.428 1.00 62.20 H new ATOM 0 HB ILE A 417 -6.468 4.730 1.047 1.00 14.13 H new ATOM 0 HG12 ILE A 417 -4.426 5.521 3.159 1.00 3.12 H new ATOM 0 HG13 ILE A 417 -4.590 6.242 1.570 1.00 3.12 H new ATOM 0 HG21 ILE A 417 -7.377 4.483 3.311 1.00 53.22 H new ATOM 0 HG22 ILE A 417 -7.130 2.916 2.504 1.00 53.22 H new ATOM 0 HG23 ILE A 417 -5.986 3.465 3.752 1.00 53.22 H new ATOM 0 HD11 ILE A 417 -5.597 7.662 3.284 1.00 44.23 H new ATOM 0 HD12 ILE A 417 -6.841 7.064 2.161 1.00 44.23 H new ATOM 0 HD13 ILE A 417 -6.674 6.332 3.774 1.00 44.23 H new ATOM 901 N VAL A 418 -2.439 3.729 2.044 1.00 53.34 N ATOM 902 CA VAL A 418 -1.303 3.529 2.902 1.00 52.23 C ATOM 903 C VAL A 418 -0.867 4.818 3.548 1.00 15.12 C ATOM 904 O VAL A 418 -0.714 5.850 2.886 1.00 35.22 O ATOM 905 CB VAL A 418 -0.103 2.867 2.140 1.00 21.11 C ATOM 906 CG1 VAL A 418 1.207 3.141 2.827 1.00 62.12 C ATOM 907 CG2 VAL A 418 -0.280 1.371 2.075 1.00 43.20 C ATOM 0 H VAL A 418 -2.242 4.304 1.225 1.00 53.34 H new ATOM 0 HA VAL A 418 -1.620 2.842 3.686 1.00 52.23 H new ATOM 0 HB VAL A 418 -0.090 3.299 1.139 1.00 21.11 H new ATOM 0 HG11 VAL A 418 2.016 2.667 2.271 1.00 62.12 H new ATOM 0 HG12 VAL A 418 1.378 4.217 2.869 1.00 62.12 H new ATOM 0 HG13 VAL A 418 1.178 2.738 3.839 1.00 62.12 H new ATOM 0 HG21 VAL A 418 0.562 0.928 1.543 1.00 43.20 H new ATOM 0 HG22 VAL A 418 -0.324 0.966 3.086 1.00 43.20 H new ATOM 0 HG23 VAL A 418 -1.206 1.137 1.549 1.00 43.20 H new ATOM 913 N THR A 419 -0.689 4.765 4.831 1.00 65.24 N ATOM 914 CA THR A 419 -0.148 5.851 5.551 1.00 22.25 C ATOM 915 C THR A 419 1.262 5.478 5.995 1.00 61.14 C ATOM 916 O THR A 419 1.450 4.550 6.788 1.00 54.32 O ATOM 917 CB THR A 419 -1.045 6.216 6.762 1.00 73.50 C ATOM 918 OG1 THR A 419 -1.404 5.028 7.496 1.00 63.01 O ATOM 919 CG2 THR A 419 -2.308 6.933 6.315 1.00 11.33 C ATOM 0 H THR A 419 -0.921 3.954 5.404 1.00 65.24 H new ATOM 0 HA THR A 419 -0.106 6.734 4.914 1.00 22.25 H new ATOM 0 HB THR A 419 -0.474 6.885 7.406 1.00 73.50 H new ATOM 0 HG1 THR A 419 -0.657 4.394 7.477 1.00 63.01 H new ATOM 0 HG21 THR A 419 -2.916 7.176 7.186 1.00 11.33 H new ATOM 0 HG22 THR A 419 -2.040 7.851 5.793 1.00 11.33 H new ATOM 0 HG23 THR A 419 -2.875 6.287 5.645 1.00 11.33 H new ATOM 925 N VAL A 420 2.250 6.174 5.466 1.00 73.34 N ATOM 926 CA VAL A 420 3.626 5.901 5.792 1.00 74.51 C ATOM 927 C VAL A 420 4.065 6.926 6.797 1.00 40.32 C ATOM 928 O VAL A 420 4.079 8.104 6.502 1.00 71.34 O ATOM 929 CB VAL A 420 4.543 6.008 4.539 1.00 1.55 C ATOM 930 CG1 VAL A 420 5.970 5.630 4.878 1.00 35.13 C ATOM 931 CG2 VAL A 420 4.027 5.152 3.402 1.00 33.33 C ATOM 0 H VAL A 420 2.117 6.938 4.803 1.00 73.34 H new ATOM 0 HA VAL A 420 3.706 4.886 6.182 1.00 74.51 H new ATOM 0 HB VAL A 420 4.529 7.048 4.212 1.00 1.55 H new ATOM 0 HG11 VAL A 420 6.590 5.713 3.986 1.00 35.13 H new ATOM 0 HG12 VAL A 420 6.351 6.301 5.648 1.00 35.13 H new ATOM 0 HG13 VAL A 420 5.997 4.604 5.245 1.00 35.13 H new ATOM 0 HG21 VAL A 420 4.690 5.250 2.543 1.00 33.33 H new ATOM 0 HG22 VAL A 420 3.994 4.109 3.718 1.00 33.33 H new ATOM 0 HG23 VAL A 420 3.025 5.480 3.126 1.00 33.33 H new ATOM 937 N GLU A 421 4.379 6.492 7.978 1.00 31.12 N ATOM 938 CA GLU A 421 4.761 7.407 9.031 1.00 2.21 C ATOM 939 C GLU A 421 6.188 7.145 9.469 1.00 52.11 C ATOM 940 O GLU A 421 6.869 6.317 8.882 1.00 72.51 O ATOM 941 CB GLU A 421 3.819 7.250 10.199 1.00 31.14 C ATOM 942 CG GLU A 421 2.371 7.476 9.837 1.00 72.44 C ATOM 943 CD GLU A 421 1.468 7.203 10.984 1.00 4.34 C ATOM 944 OE1 GLU A 421 1.209 6.029 11.254 1.00 14.32 O ATOM 945 OE2 GLU A 421 1.011 8.140 11.640 1.00 54.32 O ATOM 0 H GLU A 421 4.381 5.508 8.247 1.00 31.12 H new ATOM 0 HA GLU A 421 4.701 8.428 8.655 1.00 2.21 H new ATOM 0 HB2 GLU A 421 3.930 6.248 10.613 1.00 31.14 H new ATOM 0 HB3 GLU A 421 4.104 7.952 10.983 1.00 31.14 H new ATOM 0 HG2 GLU A 421 2.236 8.505 9.504 1.00 72.44 H new ATOM 0 HG3 GLU A 421 2.101 6.832 9.000 1.00 72.44 H new ATOM 952 N CYS A 422 6.621 7.839 10.496 1.00 51.23 N ATOM 953 CA CYS A 422 7.975 7.723 11.016 1.00 64.32 C ATOM 954 C CYS A 422 8.246 6.308 11.502 1.00 31.25 C ATOM 955 O CYS A 422 7.462 5.748 12.270 1.00 4.05 O ATOM 956 CB CYS A 422 8.162 8.733 12.162 1.00 40.42 C ATOM 957 SG CYS A 422 9.765 8.647 13.058 1.00 41.13 S ATOM 0 H CYS A 422 6.042 8.508 11.003 1.00 51.23 H new ATOM 0 HA CYS A 422 8.686 7.942 10.219 1.00 64.32 H new ATOM 0 HB2 CYS A 422 8.049 9.738 11.756 1.00 40.42 H new ATOM 0 HB3 CYS A 422 7.357 8.588 12.883 1.00 40.42 H new ATOM 0 HG CYS A 422 9.789 9.551 13.992 1.00 41.13 H new ATOM 962 N GLY A 423 9.337 5.737 11.040 1.00 1.45 N ATOM 963 CA GLY A 423 9.705 4.402 11.457 1.00 1.34 C ATOM 964 C GLY A 423 11.139 4.108 11.151 1.00 22.41 C ATOM 965 O GLY A 423 11.844 4.968 10.646 1.00 24.04 O ATOM 0 H GLY A 423 9.981 6.173 10.380 1.00 1.45 H new ATOM 0 HA2 GLY A 423 9.531 4.293 12.527 1.00 1.34 H new ATOM 0 HA3 GLY A 423 9.068 3.674 10.954 1.00 1.34 H new ATOM 969 N VAL A 424 11.571 2.902 11.445 1.00 24.42 N ATOM 970 CA VAL A 424 12.954 2.518 11.204 1.00 54.10 C ATOM 971 C VAL A 424 13.150 2.118 9.742 1.00 61.33 C ATOM 972 O VAL A 424 14.161 2.444 9.117 1.00 45.43 O ATOM 973 CB VAL A 424 13.388 1.341 12.131 1.00 24.13 C ATOM 974 CG1 VAL A 424 14.848 0.958 11.893 1.00 44.10 C ATOM 975 CG2 VAL A 424 13.167 1.700 13.593 1.00 74.13 C ATOM 0 H VAL A 424 10.990 2.168 11.851 1.00 24.42 H new ATOM 0 HA VAL A 424 13.579 3.382 11.430 1.00 54.10 H new ATOM 0 HB VAL A 424 12.768 0.479 11.885 1.00 24.13 H new ATOM 0 HG11 VAL A 424 15.121 0.135 12.554 1.00 44.10 H new ATOM 0 HG12 VAL A 424 14.979 0.649 10.856 1.00 44.10 H new ATOM 0 HG13 VAL A 424 15.488 1.816 12.099 1.00 44.10 H new ATOM 0 HG21 VAL A 424 13.476 0.866 14.223 1.00 74.13 H new ATOM 0 HG22 VAL A 424 13.756 2.582 13.844 1.00 74.13 H new ATOM 0 HG23 VAL A 424 12.111 1.909 13.761 1.00 74.13 H new ATOM 981 N GLU A 425 12.179 1.438 9.196 1.00 51.03 N ATOM 982 CA GLU A 425 12.257 0.957 7.838 1.00 75.23 C ATOM 983 C GLU A 425 10.873 0.760 7.308 1.00 61.23 C ATOM 984 O GLU A 425 9.906 0.704 8.079 1.00 2.11 O ATOM 985 CB GLU A 425 13.039 -0.371 7.809 1.00 30.25 C ATOM 986 CG GLU A 425 13.304 -0.936 6.426 1.00 14.13 C ATOM 987 CD GLU A 425 14.001 -2.269 6.479 1.00 33.45 C ATOM 988 OE1 GLU A 425 15.213 -2.308 6.758 1.00 74.41 O ATOM 989 OE2 GLU A 425 13.339 -3.298 6.243 1.00 32.23 O ATOM 0 H GLU A 425 11.311 1.200 9.677 1.00 51.03 H new ATOM 0 HA GLU A 425 12.777 1.683 7.213 1.00 75.23 H new ATOM 0 HB2 GLU A 425 13.994 -0.222 8.312 1.00 30.25 H new ATOM 0 HB3 GLU A 425 12.486 -1.112 8.387 1.00 30.25 H new ATOM 0 HG2 GLU A 425 12.360 -1.043 5.892 1.00 14.13 H new ATOM 0 HG3 GLU A 425 13.913 -0.232 5.859 1.00 14.13 H new ATOM 996 N ASN A 426 10.789 0.686 6.005 1.00 53.34 N ATOM 997 CA ASN A 426 9.572 0.454 5.292 1.00 61.15 C ATOM 998 C ASN A 426 9.040 -0.900 5.660 1.00 24.41 C ATOM 999 O ASN A 426 9.571 -1.930 5.254 1.00 71.42 O ATOM 1000 CB ASN A 426 9.834 0.561 3.806 1.00 0.13 C ATOM 1001 CG ASN A 426 10.391 1.916 3.446 1.00 64.51 C ATOM 1002 OD1 ASN A 426 9.530 2.840 3.243 1.00 54.43 O flip ATOM 1003 ND2 ASN A 426 11.592 2.130 3.428 1.00 22.13 N flip ATOM 0 H ASN A 426 11.599 0.790 5.394 1.00 53.34 H new ATOM 0 HA ASN A 426 8.824 1.201 5.558 1.00 61.15 H new ATOM 0 HB2 ASN A 426 10.535 -0.216 3.501 1.00 0.13 H new ATOM 0 HB3 ASN A 426 8.908 0.388 3.258 1.00 0.13 H new ATOM 0 HD21 ASN A 426 12.248 1.367 3.594 1.00 22.13 H new ATOM 0 HD22 ASN A 426 11.940 3.072 3.247 1.00 22.13 H new ATOM 1009 N GLU A 427 8.058 -0.892 6.487 1.00 32.51 N ATOM 1010 CA GLU A 427 7.513 -2.089 7.029 1.00 13.11 C ATOM 1011 C GLU A 427 5.989 -1.996 6.910 1.00 54.53 C ATOM 1012 O GLU A 427 5.424 -0.911 7.112 1.00 22.35 O ATOM 1013 CB GLU A 427 8.013 -2.122 8.488 1.00 62.52 C ATOM 1014 CG GLU A 427 7.968 -3.436 9.230 1.00 41.05 C ATOM 1015 CD GLU A 427 6.623 -3.916 9.583 1.00 14.21 C ATOM 1016 OE1 GLU A 427 6.036 -3.367 10.531 1.00 33.33 O ATOM 1017 OE2 GLU A 427 6.167 -4.902 8.985 1.00 30.31 O ATOM 0 H GLU A 427 7.601 -0.041 6.813 1.00 32.51 H new ATOM 0 HA GLU A 427 7.813 -3.006 6.522 1.00 13.11 H new ATOM 0 HB2 GLU A 427 9.045 -1.772 8.494 1.00 62.52 H new ATOM 0 HB3 GLU A 427 7.428 -1.399 9.056 1.00 62.52 H new ATOM 0 HG2 GLU A 427 8.458 -4.195 8.620 1.00 41.05 H new ATOM 0 HG3 GLU A 427 8.552 -3.337 10.145 1.00 41.05 H new ATOM 1024 N ILE A 428 5.336 -3.092 6.547 1.00 44.51 N ATOM 1025 CA ILE A 428 3.882 -3.094 6.425 1.00 22.45 C ATOM 1026 C ILE A 428 3.332 -3.462 7.782 1.00 21.50 C ATOM 1027 O ILE A 428 3.455 -4.602 8.227 1.00 52.44 O ATOM 1028 CB ILE A 428 3.359 -4.147 5.414 1.00 50.22 C ATOM 1029 CG1 ILE A 428 4.097 -4.070 4.069 1.00 20.43 C ATOM 1030 CG2 ILE A 428 1.863 -3.938 5.196 1.00 44.03 C ATOM 1031 CD1 ILE A 428 3.938 -2.760 3.349 1.00 32.30 C ATOM 0 H ILE A 428 5.783 -3.983 6.333 1.00 44.51 H new ATOM 0 HA ILE A 428 3.568 -2.112 6.073 1.00 22.45 H new ATOM 0 HB ILE A 428 3.545 -5.136 5.833 1.00 50.22 H new ATOM 0 HG12 ILE A 428 5.158 -4.251 4.240 1.00 20.43 H new ATOM 0 HG13 ILE A 428 3.737 -4.872 3.424 1.00 20.43 H new ATOM 0 HG21 ILE A 428 1.492 -4.677 4.486 1.00 44.03 H new ATOM 0 HG22 ILE A 428 1.338 -4.051 6.144 1.00 44.03 H new ATOM 0 HG23 ILE A 428 1.689 -2.937 4.802 1.00 44.03 H new ATOM 0 HD11 ILE A 428 4.491 -2.792 2.410 1.00 32.30 H new ATOM 0 HD12 ILE A 428 2.882 -2.584 3.143 1.00 32.30 H new ATOM 0 HD13 ILE A 428 4.326 -1.953 3.971 1.00 32.30 H new ATOM 1038 N VAL A 429 2.730 -2.529 8.407 1.00 31.02 N ATOM 1039 CA VAL A 429 2.279 -2.681 9.755 1.00 44.44 C ATOM 1040 C VAL A 429 0.959 -3.430 9.845 1.00 1.14 C ATOM 1041 O VAL A 429 0.801 -4.339 10.674 1.00 54.41 O ATOM 1042 CB VAL A 429 2.173 -1.300 10.431 1.00 24.24 C ATOM 1043 CG1 VAL A 429 1.490 -1.379 11.783 1.00 21.41 C ATOM 1044 CG2 VAL A 429 3.555 -0.670 10.555 1.00 12.04 C ATOM 0 H VAL A 429 2.527 -1.616 8.000 1.00 31.02 H new ATOM 0 HA VAL A 429 3.016 -3.286 10.283 1.00 44.44 H new ATOM 0 HB VAL A 429 1.551 -0.667 9.798 1.00 24.24 H new ATOM 0 HG11 VAL A 429 1.437 -0.383 12.223 1.00 21.41 H new ATOM 0 HG12 VAL A 429 0.482 -1.775 11.659 1.00 21.41 H new ATOM 0 HG13 VAL A 429 2.059 -2.036 12.440 1.00 21.41 H new ATOM 0 HG21 VAL A 429 3.469 0.305 11.034 1.00 12.04 H new ATOM 0 HG22 VAL A 429 4.196 -1.314 11.157 1.00 12.04 H new ATOM 0 HG23 VAL A 429 3.990 -0.550 9.563 1.00 12.04 H new ATOM 1050 N SER A 430 0.037 -3.086 9.009 1.00 22.32 N ATOM 1051 CA SER A 430 -1.254 -3.682 9.072 1.00 50.33 C ATOM 1052 C SER A 430 -1.999 -3.469 7.791 1.00 42.15 C ATOM 1053 O SER A 430 -1.667 -2.568 7.020 1.00 21.03 O ATOM 1054 CB SER A 430 -2.039 -3.101 10.264 1.00 50.11 C ATOM 1055 OG SER A 430 -2.060 -1.679 10.217 1.00 11.22 O ATOM 0 H SER A 430 0.155 -2.392 8.271 1.00 22.32 H new ATOM 0 HA SER A 430 -1.139 -4.756 9.217 1.00 50.33 H new ATOM 0 HB2 SER A 430 -3.060 -3.484 10.253 1.00 50.11 H new ATOM 0 HB3 SER A 430 -1.585 -3.431 11.198 1.00 50.11 H new ATOM 0 HG SER A 430 -2.565 -1.334 10.983 1.00 11.22 H new ATOM 1061 N VAL A 431 -2.966 -4.302 7.559 1.00 44.21 N ATOM 1062 CA VAL A 431 -3.827 -4.197 6.443 1.00 4.44 C ATOM 1063 C VAL A 431 -5.217 -4.564 6.876 1.00 23.50 C ATOM 1064 O VAL A 431 -5.490 -5.696 7.307 1.00 73.34 O ATOM 1065 CB VAL A 431 -3.359 -5.031 5.209 1.00 43.13 C ATOM 1066 CG1 VAL A 431 -3.112 -6.472 5.561 1.00 50.13 C ATOM 1067 CG2 VAL A 431 -4.378 -4.934 4.091 1.00 62.24 C ATOM 0 H VAL A 431 -3.177 -5.095 8.165 1.00 44.21 H new ATOM 0 HA VAL A 431 -3.807 -3.164 6.095 1.00 4.44 H new ATOM 0 HB VAL A 431 -2.412 -4.609 4.873 1.00 43.13 H new ATOM 0 HG11 VAL A 431 -2.788 -7.013 4.672 1.00 50.13 H new ATOM 0 HG12 VAL A 431 -2.337 -6.532 6.325 1.00 50.13 H new ATOM 0 HG13 VAL A 431 -4.032 -6.916 5.942 1.00 50.13 H new ATOM 0 HG21 VAL A 431 -4.038 -5.520 3.237 1.00 62.24 H new ATOM 0 HG22 VAL A 431 -5.337 -5.320 4.438 1.00 62.24 H new ATOM 0 HG23 VAL A 431 -4.493 -3.892 3.793 1.00 62.24 H new ATOM 1073 N LEU A 432 -6.072 -3.623 6.812 1.00 63.45 N ATOM 1074 CA LEU A 432 -7.406 -3.816 7.223 1.00 61.54 C ATOM 1075 C LEU A 432 -8.274 -3.537 6.038 1.00 61.11 C ATOM 1076 O LEU A 432 -8.027 -2.593 5.306 1.00 54.21 O ATOM 1077 CB LEU A 432 -7.730 -2.874 8.381 1.00 12.33 C ATOM 1078 CG LEU A 432 -9.045 -3.121 9.098 1.00 14.31 C ATOM 1079 CD1 LEU A 432 -9.020 -4.489 9.757 1.00 42.52 C ATOM 1080 CD2 LEU A 432 -9.294 -2.035 10.128 1.00 31.05 C ATOM 0 H LEU A 432 -5.866 -2.685 6.469 1.00 63.45 H new ATOM 0 HA LEU A 432 -7.573 -4.834 7.576 1.00 61.54 H new ATOM 0 HB2 LEU A 432 -6.924 -2.939 9.112 1.00 12.33 H new ATOM 0 HB3 LEU A 432 -7.734 -1.852 8.001 1.00 12.33 H new ATOM 0 HG LEU A 432 -9.859 -3.096 8.373 1.00 14.31 H new ATOM 0 HD11 LEU A 432 -9.966 -4.663 10.271 1.00 42.52 H new ATOM 0 HD12 LEU A 432 -8.874 -5.256 8.997 1.00 42.52 H new ATOM 0 HD13 LEU A 432 -8.203 -4.531 10.477 1.00 42.52 H new ATOM 0 HD21 LEU A 432 -10.240 -2.224 10.635 1.00 31.05 H new ATOM 0 HD22 LEU A 432 -8.485 -2.034 10.858 1.00 31.05 H new ATOM 0 HD23 LEU A 432 -9.336 -1.065 9.632 1.00 31.05 H new ATOM 1088 N GLU A 433 -9.235 -4.355 5.805 1.00 3.21 N ATOM 1089 CA GLU A 433 -10.076 -4.172 4.671 1.00 10.14 C ATOM 1090 C GLU A 433 -11.234 -3.231 5.098 1.00 75.50 C ATOM 1091 O GLU A 433 -11.938 -3.504 6.076 1.00 64.12 O ATOM 1092 CB GLU A 433 -10.545 -5.562 4.198 1.00 25.31 C ATOM 1093 CG GLU A 433 -11.126 -5.636 2.790 1.00 34.04 C ATOM 1094 CD GLU A 433 -12.345 -4.830 2.625 1.00 64.42 C ATOM 1095 OE1 GLU A 433 -13.396 -5.223 3.195 1.00 53.33 O ATOM 1096 OE2 GLU A 433 -12.293 -3.794 1.926 1.00 44.02 O ATOM 0 H GLU A 433 -9.462 -5.163 6.385 1.00 3.21 H new ATOM 0 HA GLU A 433 -9.569 -3.704 3.827 1.00 10.14 H new ATOM 0 HB2 GLU A 433 -9.699 -6.246 4.255 1.00 25.31 H new ATOM 0 HB3 GLU A 433 -11.297 -5.926 4.898 1.00 25.31 H new ATOM 0 HG2 GLU A 433 -10.375 -5.298 2.076 1.00 34.04 H new ATOM 0 HG3 GLU A 433 -11.350 -6.675 2.550 1.00 34.04 H new ATOM 1103 N ALA A 434 -11.386 -2.129 4.385 1.00 34.32 N ATOM 1104 CA ALA A 434 -12.350 -1.078 4.719 1.00 74.35 C ATOM 1105 C ALA A 434 -13.770 -1.367 4.238 1.00 42.52 C ATOM 1106 O ALA A 434 -14.735 -1.234 4.994 1.00 71.41 O ATOM 1107 CB ALA A 434 -11.887 0.256 4.140 1.00 42.52 C ATOM 0 H ALA A 434 -10.840 -1.930 3.547 1.00 34.32 H new ATOM 0 HA ALA A 434 -12.387 -1.039 5.808 1.00 74.35 H new ATOM 0 HB1 ALA A 434 -12.609 1.032 4.393 1.00 42.52 H new ATOM 0 HB2 ALA A 434 -10.914 0.516 4.557 1.00 42.52 H new ATOM 0 HB3 ALA A 434 -11.807 0.174 3.056 1.00 42.52 H new ATOM 1113 N GLN A 435 -13.902 -1.782 3.005 1.00 4.31 N ATOM 1114 CA GLN A 435 -15.217 -1.924 2.397 1.00 12.23 C ATOM 1115 C GLN A 435 -15.446 -3.344 1.938 1.00 62.22 C ATOM 1116 O GLN A 435 -16.211 -4.099 2.541 1.00 63.14 O ATOM 1117 CB GLN A 435 -15.366 -0.959 1.206 1.00 24.32 C ATOM 1118 CG GLN A 435 -15.275 0.508 1.564 1.00 62.23 C ATOM 1119 CD GLN A 435 -15.388 1.408 0.351 1.00 14.23 C ATOM 1120 OE1 GLN A 435 -14.269 1.767 -0.227 1.00 1.23 O flip ATOM 1121 NE2 GLN A 435 -16.481 1.798 -0.044 1.00 22.13 N flip ATOM 0 H GLN A 435 -13.122 -2.029 2.396 1.00 4.31 H new ATOM 0 HA GLN A 435 -15.965 -1.677 3.150 1.00 12.23 H new ATOM 0 HB2 GLN A 435 -14.594 -1.188 0.472 1.00 24.32 H new ATOM 0 HB3 GLN A 435 -16.327 -1.143 0.726 1.00 24.32 H new ATOM 0 HG2 GLN A 435 -16.066 0.756 2.272 1.00 62.23 H new ATOM 0 HG3 GLN A 435 -14.327 0.698 2.067 1.00 62.23 H new ATOM 0 HE21 GLN A 435 -17.332 1.497 0.431 1.00 22.13 H new ATOM 0 HE22 GLN A 435 -16.539 2.423 -0.848 1.00 22.13 H new ATOM 1129 N LYS A 436 -14.787 -3.672 0.852 1.00 21.11 N ATOM 1130 CA LYS A 436 -14.761 -4.982 0.231 1.00 55.24 C ATOM 1131 C LYS A 436 -13.783 -4.965 -0.954 1.00 22.33 C ATOM 1132 O LYS A 436 -13.449 -6.003 -1.517 1.00 14.20 O ATOM 1133 CB LYS A 436 -16.159 -5.501 -0.207 1.00 42.13 C ATOM 1134 CG LYS A 436 -16.902 -4.660 -1.247 1.00 55.14 C ATOM 1135 CD LYS A 436 -17.493 -3.352 -0.694 1.00 44.04 C ATOM 1136 CE LYS A 436 -18.801 -3.547 0.122 1.00 63.21 C ATOM 1137 NZ LYS A 436 -18.671 -4.417 1.317 1.00 4.24 N ATOM 0 H LYS A 436 -14.219 -2.993 0.345 1.00 21.11 H new ATOM 0 HA LYS A 436 -14.420 -5.687 0.989 1.00 55.24 H new ATOM 0 HB2 LYS A 436 -16.040 -6.509 -0.605 1.00 42.13 H new ATOM 0 HB3 LYS A 436 -16.787 -5.580 0.680 1.00 42.13 H new ATOM 0 HG2 LYS A 436 -16.217 -4.421 -2.061 1.00 55.14 H new ATOM 0 HG3 LYS A 436 -17.707 -5.258 -1.673 1.00 55.14 H new ATOM 0 HD2 LYS A 436 -16.750 -2.868 -0.060 1.00 44.04 H new ATOM 0 HD3 LYS A 436 -17.692 -2.675 -1.525 1.00 44.04 H new ATOM 0 HE2 LYS A 436 -19.162 -2.569 0.441 1.00 63.21 H new ATOM 0 HE3 LYS A 436 -19.562 -3.969 -0.535 1.00 63.21 H new ATOM 0 HZ1 LYS A 436 -19.484 -4.265 1.947 1.00 4.24 H new ATOM 0 HZ2 LYS A 436 -18.645 -5.413 1.020 1.00 4.24 H new ATOM 0 HZ3 LYS A 436 -17.793 -4.183 1.823 1.00 4.24 H new ATOM 1151 N CYS A 437 -13.322 -3.765 -1.322 1.00 74.12 N ATOM 1152 CA CYS A 437 -12.397 -3.600 -2.436 1.00 44.00 C ATOM 1153 C CYS A 437 -11.299 -2.612 -2.046 1.00 43.41 C ATOM 1154 O CYS A 437 -10.464 -2.254 -2.861 1.00 61.13 O ATOM 1155 CB CYS A 437 -13.134 -2.994 -3.641 1.00 42.35 C ATOM 1156 SG CYS A 437 -14.725 -3.790 -4.108 1.00 51.00 S ATOM 0 H CYS A 437 -13.579 -2.893 -0.859 1.00 74.12 H new ATOM 0 HA CYS A 437 -11.981 -4.576 -2.684 1.00 44.00 H new ATOM 0 HB2 CYS A 437 -13.327 -1.942 -3.430 1.00 42.35 H new ATOM 0 HB3 CYS A 437 -12.468 -3.030 -4.503 1.00 42.35 H new ATOM 0 HG CYS A 437 -15.233 -3.175 -5.135 1.00 51.00 H new ATOM 1161 N GLU A 438 -11.299 -2.177 -0.803 1.00 72.42 N ATOM 1162 CA GLU A 438 -10.390 -1.131 -0.382 1.00 44.42 C ATOM 1163 C GLU A 438 -9.762 -1.447 0.947 1.00 14.53 C ATOM 1164 O GLU A 438 -10.447 -1.698 1.913 1.00 41.22 O ATOM 1165 CB GLU A 438 -11.096 0.223 -0.376 1.00 63.21 C ATOM 1166 CG GLU A 438 -10.293 1.351 0.258 1.00 4.34 C ATOM 1167 CD GLU A 438 -10.947 2.692 0.104 1.00 72.24 C ATOM 1168 OE1 GLU A 438 -11.757 3.074 0.971 1.00 23.21 O ATOM 1169 OE2 GLU A 438 -10.662 3.392 -0.900 1.00 50.23 O ATOM 0 H GLU A 438 -11.915 -2.529 -0.070 1.00 72.42 H new ATOM 0 HA GLU A 438 -9.576 -1.076 -1.105 1.00 44.42 H new ATOM 0 HB2 GLU A 438 -11.336 0.498 -1.403 1.00 63.21 H new ATOM 0 HB3 GLU A 438 -12.042 0.123 0.157 1.00 63.21 H new ATOM 0 HG2 GLU A 438 -10.154 1.140 1.318 1.00 4.34 H new ATOM 0 HG3 GLU A 438 -9.301 1.382 -0.193 1.00 4.34 H new ATOM 1176 N TYR A 439 -8.473 -1.417 0.986 1.00 24.55 N ATOM 1177 CA TYR A 439 -7.739 -1.787 2.165 1.00 13.50 C ATOM 1178 C TYR A 439 -7.012 -0.580 2.749 1.00 64.25 C ATOM 1179 O TYR A 439 -6.510 0.255 2.017 1.00 13.30 O ATOM 1180 CB TYR A 439 -6.707 -2.864 1.793 1.00 34.24 C ATOM 1181 CG TYR A 439 -7.301 -4.101 1.113 1.00 62.22 C ATOM 1182 CD1 TYR A 439 -7.716 -4.071 -0.228 1.00 10.41 C ATOM 1183 CD2 TYR A 439 -7.443 -5.284 1.804 1.00 70.11 C ATOM 1184 CE1 TYR A 439 -8.252 -5.183 -0.836 1.00 61.42 C ATOM 1185 CE2 TYR A 439 -7.979 -6.408 1.196 1.00 2.44 C ATOM 1186 CZ TYR A 439 -8.383 -6.348 -0.122 1.00 61.33 C ATOM 1187 OH TYR A 439 -8.912 -7.459 -0.727 1.00 64.21 O ATOM 0 H TYR A 439 -7.888 -1.134 0.200 1.00 24.55 H new ATOM 0 HA TYR A 439 -8.437 -2.169 2.910 1.00 13.50 H new ATOM 0 HB2 TYR A 439 -5.962 -2.423 1.131 1.00 34.24 H new ATOM 0 HB3 TYR A 439 -6.184 -3.177 2.697 1.00 34.24 H new ATOM 0 HD1 TYR A 439 -7.612 -3.157 -0.794 1.00 10.41 H new ATOM 0 HD2 TYR A 439 -7.131 -5.336 2.837 1.00 70.11 H new ATOM 0 HE1 TYR A 439 -8.567 -5.139 -1.868 1.00 61.42 H new ATOM 0 HE2 TYR A 439 -8.080 -7.328 1.752 1.00 2.44 H new ATOM 0 HH TYR A 439 -8.936 -8.200 -0.086 1.00 64.21 H new ATOM 1197 N LEU A 440 -6.982 -0.480 4.047 1.00 31.20 N ATOM 1198 CA LEU A 440 -6.207 0.533 4.710 1.00 13.43 C ATOM 1199 C LEU A 440 -4.996 -0.122 5.326 1.00 74.42 C ATOM 1200 O LEU A 440 -5.116 -1.038 6.150 1.00 11.51 O ATOM 1201 CB LEU A 440 -6.994 1.400 5.745 1.00 25.14 C ATOM 1202 CG LEU A 440 -7.739 0.693 6.893 1.00 5.42 C ATOM 1203 CD1 LEU A 440 -8.047 1.696 7.991 1.00 73.14 C ATOM 1204 CD2 LEU A 440 -9.054 0.123 6.402 1.00 21.22 C ATOM 0 H LEU A 440 -7.494 -1.098 4.677 1.00 31.20 H new ATOM 0 HA LEU A 440 -5.909 1.259 3.953 1.00 13.43 H new ATOM 0 HB2 LEU A 440 -6.289 2.101 6.192 1.00 25.14 H new ATOM 0 HB3 LEU A 440 -7.724 1.991 5.192 1.00 25.14 H new ATOM 0 HG LEU A 440 -7.104 -0.110 7.267 1.00 5.42 H new ATOM 0 HD11 LEU A 440 -8.574 1.196 8.803 1.00 73.14 H new ATOM 0 HD12 LEU A 440 -7.116 2.119 8.369 1.00 73.14 H new ATOM 0 HD13 LEU A 440 -8.672 2.494 7.590 1.00 73.14 H new ATOM 0 HD21 LEU A 440 -9.566 -0.373 7.227 1.00 21.22 H new ATOM 0 HD22 LEU A 440 -9.679 0.929 6.018 1.00 21.22 H new ATOM 0 HD23 LEU A 440 -8.864 -0.598 5.607 1.00 21.22 H new ATOM 1212 N ILE A 441 -3.856 0.307 4.896 1.00 42.21 N ATOM 1213 CA ILE A 441 -2.598 -0.275 5.280 1.00 72.21 C ATOM 1214 C ILE A 441 -1.703 0.752 5.991 1.00 62.31 C ATOM 1215 O ILE A 441 -1.599 1.912 5.567 1.00 3.15 O ATOM 1216 CB ILE A 441 -1.892 -0.837 4.012 1.00 12.34 C ATOM 1217 CG1 ILE A 441 -2.705 -1.996 3.426 1.00 1.02 C ATOM 1218 CG2 ILE A 441 -0.452 -1.272 4.300 1.00 45.13 C ATOM 1219 CD1 ILE A 441 -2.243 -2.478 2.068 1.00 35.41 C ATOM 0 H ILE A 441 -3.763 1.092 4.251 1.00 42.21 H new ATOM 0 HA ILE A 441 -2.782 -1.086 5.985 1.00 72.21 H new ATOM 0 HB ILE A 441 -1.840 -0.033 3.278 1.00 12.34 H new ATOM 0 HG12 ILE A 441 -2.671 -2.833 4.123 1.00 1.02 H new ATOM 0 HG13 ILE A 441 -3.748 -1.687 3.350 1.00 1.02 H new ATOM 0 HG21 ILE A 441 0.001 -1.657 3.387 1.00 45.13 H new ATOM 0 HG22 ILE A 441 0.122 -0.417 4.657 1.00 45.13 H new ATOM 0 HG23 ILE A 441 -0.453 -2.052 5.062 1.00 45.13 H new ATOM 0 HD11 ILE A 441 -2.879 -3.299 1.737 1.00 35.41 H new ATOM 0 HD12 ILE A 441 -2.305 -1.659 1.351 1.00 35.41 H new ATOM 0 HD13 ILE A 441 -1.211 -2.823 2.136 1.00 35.41 H new ATOM 1226 N LYS A 442 -1.091 0.334 7.080 1.00 32.02 N ATOM 1227 CA LYS A 442 -0.194 1.169 7.810 1.00 3.13 C ATOM 1228 C LYS A 442 1.237 0.818 7.443 1.00 43.12 C ATOM 1229 O LYS A 442 1.567 -0.357 7.285 1.00 0.35 O ATOM 1230 CB LYS A 442 -0.413 0.955 9.308 1.00 44.33 C ATOM 1231 CG LYS A 442 0.535 1.740 10.212 1.00 54.04 C ATOM 1232 CD LYS A 442 0.387 3.227 10.028 1.00 53.13 C ATOM 1233 CE LYS A 442 -0.995 3.674 10.402 1.00 13.23 C ATOM 1234 NZ LYS A 442 -1.138 5.130 10.275 1.00 70.51 N ATOM 0 H LYS A 442 -1.210 -0.599 7.475 1.00 32.02 H new ATOM 0 HA LYS A 442 -0.380 2.214 7.563 1.00 3.13 H new ATOM 0 HB2 LYS A 442 -1.439 1.230 9.554 1.00 44.33 H new ATOM 0 HB3 LYS A 442 -0.307 -0.107 9.528 1.00 44.33 H new ATOM 0 HG2 LYS A 442 0.340 1.482 11.253 1.00 54.04 H new ATOM 0 HG3 LYS A 442 1.564 1.449 9.999 1.00 54.04 H new ATOM 0 HD2 LYS A 442 1.122 3.749 10.641 1.00 53.13 H new ATOM 0 HD3 LYS A 442 0.592 3.492 8.991 1.00 53.13 H new ATOM 0 HE2 LYS A 442 -1.725 3.178 9.763 1.00 13.23 H new ATOM 0 HE3 LYS A 442 -1.212 3.373 11.427 1.00 13.23 H new ATOM 0 HZ1 LYS A 442 -2.032 5.430 10.713 1.00 70.51 H new ATOM 0 HZ2 LYS A 442 -0.343 5.600 10.754 1.00 70.51 H new ATOM 0 HZ3 LYS A 442 -1.140 5.392 9.269 1.00 70.51 H new ATOM 1248 N MET A 443 2.077 1.820 7.292 1.00 22.10 N ATOM 1249 CA MET A 443 3.476 1.608 7.016 1.00 23.13 C ATOM 1250 C MET A 443 4.294 2.611 7.751 1.00 23.31 C ATOM 1251 O MET A 443 3.772 3.617 8.245 1.00 62.41 O ATOM 1252 CB MET A 443 3.815 1.711 5.529 1.00 23.23 C ATOM 1253 CG MET A 443 3.210 0.648 4.646 1.00 44.44 C ATOM 1254 SD MET A 443 3.804 0.769 2.946 1.00 44.30 S ATOM 1255 CE MET A 443 5.569 0.531 3.181 1.00 75.12 C ATOM 0 H MET A 443 1.807 2.801 7.358 1.00 22.10 H new ATOM 0 HA MET A 443 3.703 0.594 7.344 1.00 23.13 H new ATOM 0 HB2 MET A 443 3.489 2.686 5.167 1.00 23.23 H new ATOM 0 HB3 MET A 443 4.899 1.676 5.419 1.00 23.23 H new ATOM 0 HG2 MET A 443 3.451 -0.337 5.046 1.00 44.44 H new ATOM 0 HG3 MET A 443 2.124 0.740 4.659 1.00 44.44 H new ATOM 0 HE1 MET A 443 6.018 0.193 2.247 1.00 75.12 H new ATOM 0 HE2 MET A 443 6.026 1.473 3.483 1.00 75.12 H new ATOM 0 HE3 MET A 443 5.735 -0.218 3.956 1.00 75.12 H new ATOM 1265 N LYS A 444 5.555 2.354 7.842 1.00 20.11 N ATOM 1266 CA LYS A 444 6.467 3.272 8.451 1.00 35.11 C ATOM 1267 C LYS A 444 7.674 3.377 7.570 1.00 54.43 C ATOM 1268 O LYS A 444 7.895 2.521 6.707 1.00 50.02 O ATOM 1269 CB LYS A 444 6.897 2.818 9.844 1.00 21.31 C ATOM 1270 CG LYS A 444 5.775 2.526 10.786 1.00 64.10 C ATOM 1271 CD LYS A 444 5.089 3.793 11.205 1.00 21.32 C ATOM 1272 CE LYS A 444 3.859 3.459 11.979 1.00 53.41 C ATOM 1273 NZ LYS A 444 3.124 4.641 12.486 1.00 3.33 N ATOM 0 H LYS A 444 5.988 1.498 7.495 1.00 20.11 H new ATOM 0 HA LYS A 444 5.969 4.235 8.564 1.00 35.11 H new ATOM 0 HB2 LYS A 444 7.511 1.923 9.745 1.00 21.31 H new ATOM 0 HB3 LYS A 444 7.529 3.590 10.283 1.00 21.31 H new ATOM 0 HG2 LYS A 444 5.057 1.859 10.308 1.00 64.10 H new ATOM 0 HG3 LYS A 444 6.157 2.006 11.665 1.00 64.10 H new ATOM 0 HD2 LYS A 444 5.761 4.399 11.813 1.00 21.32 H new ATOM 0 HD3 LYS A 444 4.830 4.386 10.328 1.00 21.32 H new ATOM 0 HE2 LYS A 444 3.192 2.874 11.346 1.00 53.41 H new ATOM 0 HE3 LYS A 444 4.134 2.826 12.823 1.00 53.41 H new ATOM 0 HZ1 LYS A 444 2.492 4.351 13.259 1.00 3.33 H new ATOM 0 HZ2 LYS A 444 3.802 5.346 12.839 1.00 3.33 H new ATOM 0 HZ3 LYS A 444 2.562 5.057 11.716 1.00 3.33 H new ATOM 1287 N SER A 445 8.414 4.415 7.761 1.00 32.24 N ATOM 1288 CA SER A 445 9.637 4.657 7.015 1.00 33.35 C ATOM 1289 C SER A 445 10.425 5.776 7.689 1.00 1.22 C ATOM 1290 O SER A 445 9.829 6.701 8.254 1.00 21.43 O ATOM 1291 CB SER A 445 9.311 5.051 5.548 1.00 62.44 C ATOM 1292 OG SER A 445 10.493 5.195 4.760 1.00 33.42 O ATOM 0 H SER A 445 8.198 5.140 8.446 1.00 32.24 H new ATOM 0 HA SER A 445 10.232 3.744 7.003 1.00 33.35 H new ATOM 0 HB2 SER A 445 8.668 4.292 5.103 1.00 62.44 H new ATOM 0 HB3 SER A 445 8.752 5.987 5.539 1.00 62.44 H new ATOM 0 HG SER A 445 10.507 4.507 4.062 1.00 33.42 H new ATOM 1298 N PRO A 446 11.771 5.717 7.660 1.00 74.54 N ATOM 1299 CA PRO A 446 12.614 6.776 8.229 1.00 33.11 C ATOM 1300 C PRO A 446 12.478 8.067 7.429 1.00 1.01 C ATOM 1301 O PRO A 446 12.666 9.172 7.949 1.00 73.22 O ATOM 1302 CB PRO A 446 14.039 6.213 8.112 1.00 34.31 C ATOM 1303 CG PRO A 446 13.956 5.209 7.013 1.00 72.05 C ATOM 1304 CD PRO A 446 12.583 4.612 7.110 1.00 15.12 C ATOM 0 HA PRO A 446 12.340 7.026 9.254 1.00 33.11 H new ATOM 0 HB2 PRO A 446 14.758 6.998 7.878 1.00 34.31 H new ATOM 0 HB3 PRO A 446 14.362 5.753 9.046 1.00 34.31 H new ATOM 0 HG2 PRO A 446 14.111 5.678 6.042 1.00 72.05 H new ATOM 0 HG3 PRO A 446 14.724 4.444 7.123 1.00 72.05 H new ATOM 0 HD2 PRO A 446 12.215 4.288 6.136 1.00 15.12 H new ATOM 0 HD3 PRO A 446 12.569 3.739 7.762 1.00 15.12 H new ATOM 1312 N ALA A 447 12.100 7.913 6.169 1.00 3.12 N ATOM 1313 CA ALA A 447 11.934 9.029 5.271 1.00 63.12 C ATOM 1314 C ALA A 447 10.651 9.781 5.582 1.00 64.54 C ATOM 1315 O ALA A 447 10.515 10.953 5.237 1.00 31.31 O ATOM 1316 CB ALA A 447 11.944 8.552 3.826 1.00 0.23 C ATOM 0 H ALA A 447 11.901 7.006 5.747 1.00 3.12 H new ATOM 0 HA ALA A 447 12.770 9.714 5.412 1.00 63.12 H new ATOM 0 HB1 ALA A 447 11.818 9.406 3.160 1.00 0.23 H new ATOM 0 HB2 ALA A 447 12.894 8.062 3.611 1.00 0.23 H new ATOM 0 HB3 ALA A 447 11.128 7.846 3.670 1.00 0.23 H new ATOM 1322 N ALA A 448 9.726 9.121 6.285 1.00 63.31 N ATOM 1323 CA ALA A 448 8.444 9.733 6.604 1.00 22.31 C ATOM 1324 C ALA A 448 8.512 10.351 7.961 1.00 41.20 C ATOM 1325 O ALA A 448 7.518 10.841 8.496 1.00 70.10 O ATOM 1326 CB ALA A 448 7.333 8.707 6.560 1.00 3.02 C ATOM 0 H ALA A 448 9.844 8.172 6.639 1.00 63.31 H new ATOM 0 HA ALA A 448 8.229 10.502 5.862 1.00 22.31 H new ATOM 0 HB1 ALA A 448 6.385 9.187 6.802 1.00 3.02 H new ATOM 0 HB2 ALA A 448 7.277 8.274 5.561 1.00 3.02 H new ATOM 0 HB3 ALA A 448 7.536 7.919 7.286 1.00 3.02 H new