USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 451 ASN : amide:sc= 2.23 K(o=2.8,f=-5!) USER MOD Set 1.2: A 454 SER OG : rot -80:sc= 0.611 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.45 K(o=2.2,f=-7.1!) USER MOD Set 2.2: A 448 SER OG : rot -79:sc= 0.805 USER MOD Single : A 393 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc=-0.00275 X(o=-0.0027,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 420 MET CE :methyl 147:sc= -0.0235 (180deg=-0.265) USER MOD Single : A 422 MET CE :methyl -154:sc= 0 (180deg=-0.107) USER MOD Single : A 426 ASN : amide:sc= 0.781 K(o=0.78,f=-0.46) USER MOD Single : A 429 SER OG : rot -153:sc= 1.1 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -65:sc= 0.0109 USER MOD Single : A 449 TYR OH : rot 28:sc= 0.0561 USER MOD Single : A 456 GLN : amide:sc= -0.0218 K(o=-0.022,f=-0.66) USER MOD Single : A 460 GLN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 461 SER OG : rot 84:sc= 0.797 USER MOD Single : A 462 MET CE :methyl -162:sc= -0.143 (180deg=-1.63) USER MOD Single : A 463 ASN : amide:sc= 0.9 K(o=0.9,f=-4.9!) USER MOD Single : A 466 GLN : amide:sc= 1.1 K(o=1.1,f=-4.6!) USER MOD Single : A 469 MET CE :methyl 172:sc= 0 (180deg=-0.0646) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 477 LYS NZ :NH3+ 140:sc= 0.115 (180deg=-0.00776) USER MOD ----------------------------------------------------------------- ATOM 172 N ALA A 390 -5.293 7.608 -9.441 1.00 0.00 N ATOM 173 CA ALA A 390 -4.951 6.556 -8.473 1.00 0.00 C ATOM 174 C ALA A 390 -3.444 6.278 -8.307 1.00 0.00 C ATOM 175 O ALA A 390 -2.976 6.128 -7.177 1.00 0.00 O ATOM 176 CB ALA A 390 -5.760 5.279 -8.771 1.00 0.00 C ATOM 0 HA ALA A 390 -5.240 6.942 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 390 -5.499 4.506 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 390 -6.825 5.498 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 390 -5.529 4.928 -9.777 1.00 0.00 H new ATOM 182 N ALA A 391 -2.685 6.232 -9.401 1.00 0.00 N ATOM 183 CA ALA A 391 -1.274 5.839 -9.429 1.00 0.00 C ATOM 184 C ALA A 391 -0.335 6.967 -8.984 1.00 0.00 C ATOM 185 O ALA A 391 -0.308 8.050 -9.576 1.00 0.00 O ATOM 186 CB ALA A 391 -0.938 5.305 -10.828 1.00 0.00 C ATOM 0 H ALA A 391 -3.046 6.475 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 391 -1.114 5.045 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 391 0.110 5.009 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -1.566 4.442 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -1.119 6.084 -11.568 1.00 0.00 H new ATOM 192 N GLY A 392 0.417 6.703 -7.910 1.00 0.00 N ATOM 193 CA GLY A 392 1.309 7.669 -7.260 1.00 0.00 C ATOM 194 C GLY A 392 0.561 8.673 -6.382 1.00 0.00 C ATOM 195 O GLY A 392 1.169 9.615 -5.878 1.00 0.00 O ATOM 0 H GLY A 392 0.422 5.789 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 392 2.036 7.132 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 392 1.870 8.209 -8.023 1.00 0.00 H new ATOM 199 N SER A 393 -0.749 8.492 -6.200 1.00 0.00 N ATOM 200 CA SER A 393 -1.601 9.416 -5.452 1.00 0.00 C ATOM 201 C SER A 393 -1.406 9.269 -3.935 1.00 0.00 C ATOM 202 O SER A 393 -1.307 8.163 -3.400 1.00 0.00 O ATOM 203 CB SER A 393 -3.070 9.206 -5.834 1.00 0.00 C ATOM 204 OG SER A 393 -3.894 10.121 -5.129 1.00 0.00 O ATOM 0 H SER A 393 -1.254 7.688 -6.574 1.00 0.00 H new ATOM 0 HA SER A 393 -1.308 10.432 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.197 9.343 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 393 -3.371 8.184 -5.605 1.00 0.00 H new ATOM 0 HG SER A 393 -4.830 9.980 -5.382 1.00 0.00 H new ATOM 210 N GLN A 394 -1.378 10.403 -3.235 1.00 0.00 N ATOM 211 CA GLN A 394 -1.236 10.482 -1.778 1.00 0.00 C ATOM 212 C GLN A 394 -2.612 10.434 -1.078 1.00 0.00 C ATOM 213 O GLN A 394 -2.695 10.619 0.136 1.00 0.00 O ATOM 214 CB GLN A 394 -0.477 11.779 -1.431 1.00 0.00 C ATOM 215 CG GLN A 394 0.917 11.897 -2.078 1.00 0.00 C ATOM 216 CD GLN A 394 1.441 13.334 -2.028 1.00 0.00 C ATOM 217 OE1 GLN A 394 1.213 14.138 -2.926 1.00 0.00 O ATOM 218 NE2 GLN A 394 2.147 13.725 -0.991 1.00 0.00 N ATOM 0 H GLN A 394 -1.456 11.319 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 394 -0.672 9.621 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -1.081 12.632 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -0.368 11.842 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 394 1.615 11.236 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 394 0.867 11.563 -3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 394 2.347 13.071 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 394 2.495 14.683 -0.943 1.00 0.00 H new ATOM 227 N LYS A 395 -3.710 10.224 -1.822 1.00 0.00 N ATOM 228 CA LYS A 395 -5.080 10.315 -1.306 1.00 0.00 C ATOM 229 C LYS A 395 -5.471 9.076 -0.486 1.00 0.00 C ATOM 230 O LYS A 395 -6.030 8.108 -1.007 1.00 0.00 O ATOM 231 CB LYS A 395 -6.041 10.602 -2.478 1.00 0.00 C ATOM 232 CG LYS A 395 -7.476 10.881 -2.002 1.00 0.00 C ATOM 233 CD LYS A 395 -8.412 11.138 -3.193 1.00 0.00 C ATOM 234 CE LYS A 395 -9.877 11.299 -2.759 1.00 0.00 C ATOM 235 NZ LYS A 395 -10.118 12.545 -1.982 1.00 0.00 N ATOM 0 H LYS A 395 -3.667 9.983 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 395 -5.149 11.145 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.675 11.459 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -6.045 9.750 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.842 10.033 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.481 11.745 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.090 12.037 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.333 10.311 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -10.514 11.299 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -10.169 10.439 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -11.122 12.600 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.533 12.537 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -9.868 13.370 -2.563 1.00 0.00 H new ATOM 249 N GLU A 396 -5.183 9.127 0.811 1.00 0.00 N ATOM 250 CA GLU A 396 -5.554 8.106 1.790 1.00 0.00 C ATOM 251 C GLU A 396 -7.087 7.961 1.879 1.00 0.00 C ATOM 252 O GLU A 396 -7.821 8.955 1.870 1.00 0.00 O ATOM 253 CB GLU A 396 -4.967 8.454 3.170 1.00 0.00 C ATOM 254 CG GLU A 396 -3.488 8.889 3.142 1.00 0.00 C ATOM 255 CD GLU A 396 -2.924 9.117 4.557 1.00 0.00 C ATOM 256 OE1 GLU A 396 -3.173 8.293 5.467 1.00 0.00 O ATOM 257 OE2 GLU A 396 -2.238 10.144 4.770 1.00 0.00 O ATOM 0 H GLU A 396 -4.668 9.904 1.225 1.00 0.00 H new ATOM 0 HA GLU A 396 -5.141 7.152 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.560 9.254 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -5.066 7.586 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -2.896 8.127 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -3.391 9.807 2.562 1.00 0.00 H new ATOM 264 N GLY A 397 -7.569 6.719 1.967 1.00 0.00 N ATOM 265 CA GLY A 397 -8.987 6.358 2.099 1.00 0.00 C ATOM 266 C GLY A 397 -9.499 6.397 3.551 1.00 0.00 C ATOM 267 O GLY A 397 -8.771 6.835 4.451 1.00 0.00 O ATOM 0 H GLY A 397 -6.959 5.902 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.585 7.039 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -9.138 5.357 1.696 1.00 0.00 H new ATOM 271 N PRO A 398 -10.752 5.957 3.787 1.00 0.00 N ATOM 272 CA PRO A 398 -11.393 5.980 5.101 1.00 0.00 C ATOM 273 C PRO A 398 -10.858 4.879 6.034 1.00 0.00 C ATOM 274 O PRO A 398 -10.094 4.002 5.627 1.00 0.00 O ATOM 275 CB PRO A 398 -12.892 5.832 4.812 1.00 0.00 C ATOM 276 CG PRO A 398 -12.927 4.995 3.536 1.00 0.00 C ATOM 277 CD PRO A 398 -11.687 5.471 2.779 1.00 0.00 C ATOM 0 HA PRO A 398 -11.179 6.904 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 398 -13.412 5.336 5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 398 -13.371 6.801 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 398 -12.883 3.928 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 398 -13.839 5.167 2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 398 -11.248 4.657 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -11.942 6.261 2.073 1.00 0.00 H new ATOM 285 N GLU A 399 -11.276 4.931 7.304 1.00 0.00 N ATOM 286 CA GLU A 399 -10.874 3.984 8.352 1.00 0.00 C ATOM 287 C GLU A 399 -11.223 2.532 7.969 1.00 0.00 C ATOM 288 O GLU A 399 -12.366 2.214 7.631 1.00 0.00 O ATOM 289 CB GLU A 399 -11.531 4.392 9.682 1.00 0.00 C ATOM 290 CG GLU A 399 -11.024 3.564 10.870 1.00 0.00 C ATOM 291 CD GLU A 399 -11.658 4.046 12.184 1.00 0.00 C ATOM 292 OE1 GLU A 399 -11.094 4.957 12.835 1.00 0.00 O ATOM 293 OE2 GLU A 399 -12.725 3.516 12.578 1.00 0.00 O ATOM 0 H GLU A 399 -11.918 5.649 7.640 1.00 0.00 H new ATOM 0 HA GLU A 399 -9.791 4.021 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -11.336 5.448 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -12.612 4.277 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -11.260 2.512 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -9.939 3.641 10.935 1.00 0.00 H new ATOM 300 N GLY A 400 -10.216 1.650 8.008 1.00 0.00 N ATOM 301 CA GLY A 400 -10.334 0.228 7.656 1.00 0.00 C ATOM 302 C GLY A 400 -10.227 -0.071 6.155 1.00 0.00 C ATOM 303 O GLY A 400 -10.171 -1.240 5.783 1.00 0.00 O ATOM 0 H GLY A 400 -9.272 1.912 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -9.556 -0.328 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -11.292 -0.144 8.020 1.00 0.00 H new ATOM 307 N ALA A 401 -10.176 0.953 5.293 1.00 0.00 N ATOM 308 CA ALA A 401 -10.043 0.813 3.837 1.00 0.00 C ATOM 309 C ALA A 401 -8.598 1.001 3.325 1.00 0.00 C ATOM 310 O ALA A 401 -8.344 0.842 2.131 1.00 0.00 O ATOM 311 CB ALA A 401 -11.015 1.794 3.174 1.00 0.00 C ATOM 0 H ALA A 401 -10.227 1.926 5.596 1.00 0.00 H new ATOM 0 HA ALA A 401 -10.295 -0.212 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.935 1.709 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -12.034 1.561 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -10.768 2.811 3.477 1.00 0.00 H new ATOM 317 N ASN A 402 -7.651 1.321 4.216 1.00 0.00 N ATOM 318 CA ASN A 402 -6.240 1.538 3.889 1.00 0.00 C ATOM 319 C ASN A 402 -5.401 0.298 4.209 1.00 0.00 C ATOM 320 O ASN A 402 -5.360 -0.159 5.356 1.00 0.00 O ATOM 321 CB ASN A 402 -5.703 2.751 4.665 1.00 0.00 C ATOM 322 CG ASN A 402 -6.330 4.061 4.217 1.00 0.00 C ATOM 323 OD1 ASN A 402 -6.677 4.239 3.056 1.00 0.00 O ATOM 324 ND2 ASN A 402 -6.499 5.006 5.124 1.00 0.00 N ATOM 0 H ASN A 402 -7.852 1.439 5.209 1.00 0.00 H new ATOM 0 HA ASN A 402 -6.165 1.731 2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -5.892 2.608 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -4.622 2.809 4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -6.923 5.896 4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.206 4.846 6.088 1.00 0.00 H new ATOM 331 N LEU A 403 -4.698 -0.213 3.198 1.00 0.00 N ATOM 332 CA LEU A 403 -3.768 -1.333 3.299 1.00 0.00 C ATOM 333 C LEU A 403 -2.323 -0.858 3.262 1.00 0.00 C ATOM 334 O LEU A 403 -1.983 0.044 2.495 1.00 0.00 O ATOM 335 CB LEU A 403 -3.989 -2.320 2.140 1.00 0.00 C ATOM 336 CG LEU A 403 -5.394 -2.933 2.076 1.00 0.00 C ATOM 337 CD1 LEU A 403 -5.419 -3.991 0.972 1.00 0.00 C ATOM 338 CD2 LEU A 403 -5.778 -3.573 3.411 1.00 0.00 C ATOM 0 H LEU A 403 -4.765 0.158 2.250 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.958 -1.826 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -3.789 -1.805 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -3.260 -3.126 2.224 1.00 0.00 H new ATOM 0 HG LEU A 403 -6.114 -2.143 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -6.413 -4.435 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -5.175 -3.526 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -4.687 -4.767 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -6.778 -3.999 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -5.065 -4.361 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -5.764 -2.816 4.195 1.00 0.00 H new ATOM 350 N PHE A 404 -1.492 -1.550 4.039 1.00 0.00 N ATOM 351 CA PHE A 404 -0.040 -1.465 4.052 1.00 0.00 C ATOM 352 C PHE A 404 0.535 -2.809 3.588 1.00 0.00 C ATOM 353 O PHE A 404 0.196 -3.867 4.124 1.00 0.00 O ATOM 354 CB PHE A 404 0.405 -1.110 5.474 1.00 0.00 C ATOM 355 CG PHE A 404 1.898 -1.192 5.729 1.00 0.00 C ATOM 356 CD1 PHE A 404 2.759 -0.202 5.224 1.00 0.00 C ATOM 357 CD2 PHE A 404 2.421 -2.224 6.533 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.119 -0.202 5.579 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.782 -2.228 6.883 1.00 0.00 C ATOM 360 CZ PHE A 404 4.625 -1.199 6.428 1.00 0.00 C ATOM 0 H PHE A 404 -1.841 -2.227 4.718 1.00 0.00 H new ATOM 0 HA PHE A 404 0.325 -0.693 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 404 0.070 -0.097 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -0.103 -1.776 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 404 2.375 0.560 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 404 1.774 -3.015 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.776 0.566 5.198 1.00 0.00 H new ATOM 0 HE2 PHE A 404 4.180 -3.020 7.500 1.00 0.00 H new ATOM 0 HZ PHE A 404 5.661 -1.176 6.731 1.00 0.00 H new ATOM 370 N ILE A 405 1.388 -2.750 2.568 1.00 0.00 N ATOM 371 CA ILE A 405 2.061 -3.873 1.912 1.00 0.00 C ATOM 372 C ILE A 405 3.568 -3.731 2.162 1.00 0.00 C ATOM 373 O ILE A 405 4.118 -2.641 2.000 1.00 0.00 O ATOM 374 CB ILE A 405 1.753 -3.881 0.390 1.00 0.00 C ATOM 375 CG1 ILE A 405 0.253 -3.984 0.021 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.475 -5.073 -0.273 1.00 0.00 C ATOM 377 CD1 ILE A 405 -0.574 -2.694 0.140 1.00 0.00 C ATOM 0 H ILE A 405 1.646 -1.857 2.148 1.00 0.00 H new ATOM 0 HA ILE A 405 1.702 -4.818 2.320 1.00 0.00 H new ATOM 0 HB ILE A 405 2.104 -2.915 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 405 0.178 -4.343 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -0.204 -4.742 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 405 2.260 -5.080 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 405 3.550 -4.978 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.126 -6.004 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.606 -2.896 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -0.545 -2.337 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.158 -1.933 -0.520 1.00 0.00 H new ATOM 389 N TYR A 406 4.238 -4.824 2.520 1.00 0.00 N ATOM 390 CA TYR A 406 5.670 -4.872 2.839 1.00 0.00 C ATOM 391 C TYR A 406 6.345 -6.110 2.209 1.00 0.00 C ATOM 392 O TYR A 406 5.688 -7.129 1.995 1.00 0.00 O ATOM 393 CB TYR A 406 5.831 -4.828 4.369 1.00 0.00 C ATOM 394 CG TYR A 406 7.203 -4.392 4.847 1.00 0.00 C ATOM 395 CD1 TYR A 406 8.252 -5.320 4.964 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.431 -3.043 5.172 1.00 0.00 C ATOM 397 CE1 TYR A 406 9.536 -4.896 5.357 1.00 0.00 C ATOM 398 CE2 TYR A 406 8.700 -2.611 5.595 1.00 0.00 C ATOM 399 CZ TYR A 406 9.767 -3.536 5.665 1.00 0.00 C ATOM 400 OH TYR A 406 11.014 -3.129 6.030 1.00 0.00 O ATOM 0 H TYR A 406 3.786 -5.735 2.600 1.00 0.00 H new ATOM 0 HA TYR A 406 6.176 -4.008 2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 406 5.084 -4.149 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 406 5.618 -5.818 4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 406 8.072 -6.364 4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.622 -2.331 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 406 10.344 -5.610 5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.859 -1.578 5.865 1.00 0.00 H new ATOM 0 HH TYR A 406 11.005 -2.165 6.207 1.00 0.00 H new ATOM 410 N HIS A 407 7.641 -5.999 1.893 1.00 0.00 N ATOM 411 CA HIS A 407 8.508 -6.958 1.171 1.00 0.00 C ATOM 412 C HIS A 407 8.411 -6.844 -0.375 1.00 0.00 C ATOM 413 O HIS A 407 8.743 -7.789 -1.097 1.00 0.00 O ATOM 414 CB HIS A 407 8.365 -8.411 1.683 1.00 0.00 C ATOM 415 CG HIS A 407 8.625 -8.597 3.153 1.00 0.00 C ATOM 416 ND1 HIS A 407 9.845 -8.357 3.792 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.745 -9.110 4.060 1.00 0.00 C ATOM 418 CE1 HIS A 407 9.661 -8.723 5.071 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.411 -9.182 5.262 1.00 0.00 N ATOM 0 H HIS A 407 8.163 -5.163 2.157 1.00 0.00 H new ATOM 0 HA HIS A 407 9.527 -6.658 1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 407 7.357 -8.761 1.461 1.00 0.00 H new ATOM 0 HB3 HIS A 407 9.053 -9.046 1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 407 6.723 -9.403 3.871 1.00 0.00 H new ATOM 0 HE1 HIS A 407 10.415 -8.658 5.842 1.00 0.00 H new ATOM 0 HE2 HIS A 407 8.025 -9.523 6.142 1.00 0.00 H new ATOM 427 N LEU A 408 7.956 -5.695 -0.898 1.00 0.00 N ATOM 428 CA LEU A 408 7.902 -5.411 -2.344 1.00 0.00 C ATOM 429 C LEU A 408 9.314 -5.375 -2.977 1.00 0.00 C ATOM 430 O LEU A 408 10.274 -5.031 -2.279 1.00 0.00 O ATOM 431 CB LEU A 408 7.199 -4.058 -2.594 1.00 0.00 C ATOM 432 CG LEU A 408 5.702 -4.014 -2.228 1.00 0.00 C ATOM 433 CD1 LEU A 408 5.209 -2.560 -2.232 1.00 0.00 C ATOM 434 CD2 LEU A 408 4.866 -4.830 -3.224 1.00 0.00 C ATOM 0 H LEU A 408 7.611 -4.926 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 408 7.338 -6.218 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 408 7.718 -3.287 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 408 7.306 -3.801 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 408 5.584 -4.447 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.151 -2.534 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 408 5.776 -1.982 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 408 5.350 -2.131 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 408 3.814 -4.782 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 408 4.992 -4.420 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 408 5.197 -5.868 -3.212 1.00 0.00 H new ATOM 446 N PRO A 409 9.455 -5.671 -4.287 1.00 0.00 N ATOM 447 CA PRO A 409 10.692 -5.447 -5.035 1.00 0.00 C ATOM 448 C PRO A 409 11.142 -3.980 -4.974 1.00 0.00 C ATOM 449 O PRO A 409 10.311 -3.073 -4.951 1.00 0.00 O ATOM 450 CB PRO A 409 10.385 -5.867 -6.480 1.00 0.00 C ATOM 451 CG PRO A 409 9.235 -6.861 -6.330 1.00 0.00 C ATOM 452 CD PRO A 409 8.456 -6.298 -5.145 1.00 0.00 C ATOM 0 HA PRO A 409 11.513 -6.024 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 409 10.099 -5.013 -7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 409 11.251 -6.326 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 409 8.623 -6.910 -7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 409 9.596 -7.871 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 409 7.710 -5.574 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 409 7.923 -7.087 -4.615 1.00 0.00 H new ATOM 460 N GLN A 410 12.459 -3.735 -5.008 1.00 0.00 N ATOM 461 CA GLN A 410 13.036 -2.377 -4.958 1.00 0.00 C ATOM 462 C GLN A 410 12.861 -1.580 -6.270 1.00 0.00 C ATOM 463 O GLN A 410 13.339 -0.452 -6.376 1.00 0.00 O ATOM 464 CB GLN A 410 14.513 -2.437 -4.523 1.00 0.00 C ATOM 465 CG GLN A 410 14.664 -2.940 -3.079 1.00 0.00 C ATOM 466 CD GLN A 410 16.077 -2.734 -2.533 1.00 0.00 C ATOM 467 OE1 GLN A 410 16.336 -1.858 -1.716 1.00 0.00 O ATOM 468 NE2 GLN A 410 17.048 -3.520 -2.954 1.00 0.00 N ATOM 0 H GLN A 410 13.160 -4.473 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 410 12.469 -1.824 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 410 15.063 -3.094 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 410 14.958 -1.446 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 410 13.951 -2.419 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 410 14.413 -4.000 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 410 16.851 -4.255 -3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 410 17.996 -3.394 -2.600 1.00 0.00 H new ATOM 477 N GLU A 411 12.142 -2.130 -7.252 1.00 0.00 N ATOM 478 CA GLU A 411 11.841 -1.515 -8.552 1.00 0.00 C ATOM 479 C GLU A 411 10.332 -1.516 -8.893 1.00 0.00 C ATOM 480 O GLU A 411 9.950 -1.202 -10.022 1.00 0.00 O ATOM 481 CB GLU A 411 12.691 -2.196 -9.644 1.00 0.00 C ATOM 482 CG GLU A 411 12.364 -3.684 -9.853 1.00 0.00 C ATOM 483 CD GLU A 411 13.248 -4.286 -10.954 1.00 0.00 C ATOM 484 OE1 GLU A 411 12.849 -4.258 -12.143 1.00 0.00 O ATOM 485 OE2 GLU A 411 14.348 -4.801 -10.639 1.00 0.00 O ATOM 0 H GLU A 411 11.734 -3.060 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 411 12.110 -0.460 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 411 12.546 -1.667 -10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 411 13.745 -2.099 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 411 12.515 -4.229 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 411 11.314 -3.796 -10.122 1.00 0.00 H new ATOM 492 N PHE A 412 9.464 -1.874 -7.933 1.00 0.00 N ATOM 493 CA PHE A 412 8.015 -1.975 -8.135 1.00 0.00 C ATOM 494 C PHE A 412 7.367 -0.586 -8.288 1.00 0.00 C ATOM 495 O PHE A 412 7.626 0.316 -7.487 1.00 0.00 O ATOM 496 CB PHE A 412 7.391 -2.763 -6.968 1.00 0.00 C ATOM 497 CG PHE A 412 6.285 -3.715 -7.370 1.00 0.00 C ATOM 498 CD1 PHE A 412 6.579 -4.796 -8.224 1.00 0.00 C ATOM 499 CD2 PHE A 412 4.981 -3.560 -6.860 1.00 0.00 C ATOM 500 CE1 PHE A 412 5.574 -5.714 -8.572 1.00 0.00 C ATOM 501 CE2 PHE A 412 3.983 -4.494 -7.192 1.00 0.00 C ATOM 502 CZ PHE A 412 4.276 -5.565 -8.052 1.00 0.00 C ATOM 0 H PHE A 412 9.756 -2.104 -6.983 1.00 0.00 H new ATOM 0 HA PHE A 412 7.825 -2.511 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 412 8.177 -3.330 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.996 -2.055 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.579 -4.919 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.748 -2.726 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.798 -6.534 -9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 412 2.989 -4.387 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 412 3.505 -6.274 -8.314 1.00 0.00 H new ATOM 512 N GLY A 413 6.524 -0.417 -9.312 1.00 0.00 N ATOM 513 CA GLY A 413 5.809 0.830 -9.604 1.00 0.00 C ATOM 514 C GLY A 413 4.413 0.884 -8.986 1.00 0.00 C ATOM 515 O GLY A 413 3.845 -0.121 -8.562 1.00 0.00 O ATOM 0 H GLY A 413 6.315 -1.162 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 413 6.395 1.672 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 413 5.726 0.949 -10.684 1.00 0.00 H new ATOM 519 N ASP A 414 3.828 2.081 -8.985 1.00 0.00 N ATOM 520 CA ASP A 414 2.489 2.335 -8.435 1.00 0.00 C ATOM 521 C ASP A 414 1.381 1.628 -9.231 1.00 0.00 C ATOM 522 O ASP A 414 0.404 1.146 -8.657 1.00 0.00 O ATOM 523 CB ASP A 414 2.237 3.847 -8.420 1.00 0.00 C ATOM 524 CG ASP A 414 3.272 4.594 -7.569 1.00 0.00 C ATOM 525 OD1 ASP A 414 3.362 4.296 -6.357 1.00 0.00 O ATOM 526 OD2 ASP A 414 3.992 5.456 -8.123 1.00 0.00 O ATOM 0 H ASP A 414 4.273 2.914 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 414 2.460 1.930 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.263 4.229 -9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.238 4.044 -8.031 1.00 0.00 H new ATOM 531 N GLN A 415 1.561 1.518 -10.549 1.00 0.00 N ATOM 532 CA GLN A 415 0.692 0.792 -11.457 1.00 0.00 C ATOM 533 C GLN A 415 0.831 -0.733 -11.305 1.00 0.00 C ATOM 534 O GLN A 415 -0.140 -1.451 -11.537 1.00 0.00 O ATOM 535 CB GLN A 415 1.056 1.237 -12.879 1.00 0.00 C ATOM 536 CG GLN A 415 0.606 2.676 -13.192 1.00 0.00 C ATOM 537 CD GLN A 415 0.874 3.082 -14.645 1.00 0.00 C ATOM 538 OE1 GLN A 415 1.899 2.769 -15.240 1.00 0.00 O ATOM 539 NE2 GLN A 415 -0.034 3.795 -15.283 1.00 0.00 N ATOM 0 H GLN A 415 2.351 1.953 -11.025 1.00 0.00 H new ATOM 0 HA GLN A 415 -0.350 1.018 -11.229 1.00 0.00 H new ATOM 0 HB2 GLN A 415 2.135 1.162 -13.012 1.00 0.00 H new ATOM 0 HB3 GLN A 415 0.599 0.555 -13.596 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -0.460 2.771 -12.984 1.00 0.00 H new ATOM 0 HG3 GLN A 415 1.124 3.366 -12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -0.895 4.067 -14.808 1.00 0.00 H new ATOM 0 HE22 GLN A 415 0.125 4.074 -16.251 1.00 0.00 H new ATOM 548 N ASP A 416 1.992 -1.237 -10.869 1.00 0.00 N ATOM 549 CA ASP A 416 2.186 -2.665 -10.587 1.00 0.00 C ATOM 550 C ASP A 416 1.445 -3.071 -9.305 1.00 0.00 C ATOM 551 O ASP A 416 0.767 -4.099 -9.284 1.00 0.00 O ATOM 552 CB ASP A 416 3.681 -3.016 -10.476 1.00 0.00 C ATOM 553 CG ASP A 416 4.475 -2.708 -11.753 1.00 0.00 C ATOM 554 OD1 ASP A 416 4.195 -3.331 -12.805 1.00 0.00 O ATOM 555 OD2 ASP A 416 5.404 -1.867 -11.687 1.00 0.00 O ATOM 0 H ASP A 416 2.822 -0.668 -10.702 1.00 0.00 H new ATOM 0 HA ASP A 416 1.769 -3.226 -11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 416 4.116 -2.462 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.782 -4.076 -10.241 1.00 0.00 H new ATOM 560 N LEU A 417 1.499 -2.226 -8.264 1.00 0.00 N ATOM 561 CA LEU A 417 0.731 -2.411 -7.031 1.00 0.00 C ATOM 562 C LEU A 417 -0.779 -2.276 -7.276 1.00 0.00 C ATOM 563 O LEU A 417 -1.567 -3.026 -6.701 1.00 0.00 O ATOM 564 CB LEU A 417 1.240 -1.412 -5.974 1.00 0.00 C ATOM 565 CG LEU A 417 0.747 -1.717 -4.542 1.00 0.00 C ATOM 566 CD1 LEU A 417 1.323 -3.036 -4.005 1.00 0.00 C ATOM 567 CD2 LEU A 417 1.141 -0.580 -3.590 1.00 0.00 C ATOM 0 H LEU A 417 2.083 -1.390 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 417 0.882 -3.425 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.330 -1.413 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 417 0.920 -0.408 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 417 -0.338 -1.808 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 417 0.951 -3.211 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 417 1.017 -3.857 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 417 2.411 -2.976 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 417 0.787 -0.808 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.226 -0.475 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 417 0.690 0.352 -3.930 1.00 0.00 H new ATOM 579 N LEU A 418 -1.192 -1.379 -8.176 1.00 0.00 N ATOM 580 CA LEU A 418 -2.591 -1.245 -8.591 1.00 0.00 C ATOM 581 C LEU A 418 -3.088 -2.490 -9.324 1.00 0.00 C ATOM 582 O LEU A 418 -4.113 -3.042 -8.937 1.00 0.00 O ATOM 583 CB LEU A 418 -2.732 0.018 -9.450 1.00 0.00 C ATOM 584 CG LEU A 418 -4.146 0.316 -9.983 1.00 0.00 C ATOM 585 CD1 LEU A 418 -5.170 0.517 -8.859 1.00 0.00 C ATOM 586 CD2 LEU A 418 -4.097 1.575 -10.860 1.00 0.00 C ATOM 0 H LEU A 418 -0.563 -0.723 -8.639 1.00 0.00 H new ATOM 0 HA LEU A 418 -3.220 -1.148 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.399 0.873 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -2.055 -0.067 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 418 -4.468 -0.549 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -6.149 0.724 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -5.225 -0.386 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.865 1.356 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -5.095 1.792 -11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.744 2.418 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -3.417 1.410 -11.696 1.00 0.00 H new ATOM 598 N GLN A 419 -2.375 -2.959 -10.349 1.00 0.00 N ATOM 599 CA GLN A 419 -2.791 -4.133 -11.129 1.00 0.00 C ATOM 600 C GLN A 419 -2.741 -5.436 -10.311 1.00 0.00 C ATOM 601 O GLN A 419 -3.493 -6.369 -10.596 1.00 0.00 O ATOM 602 CB GLN A 419 -1.944 -4.232 -12.408 1.00 0.00 C ATOM 603 CG GLN A 419 -2.325 -3.136 -13.422 1.00 0.00 C ATOM 604 CD GLN A 419 -1.424 -3.111 -14.661 1.00 0.00 C ATOM 605 OE1 GLN A 419 -0.848 -4.105 -15.089 1.00 0.00 O ATOM 606 NE2 GLN A 419 -1.276 -1.968 -15.302 1.00 0.00 N ATOM 0 H GLN A 419 -1.499 -2.542 -10.663 1.00 0.00 H new ATOM 0 HA GLN A 419 -3.836 -3.998 -11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -0.888 -4.143 -12.154 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -2.082 -5.213 -12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -3.358 -3.286 -13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.280 -2.165 -12.930 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -1.746 -1.129 -14.963 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -0.691 -1.923 -16.137 1.00 0.00 H new ATOM 615 N MET A 420 -1.921 -5.484 -9.254 1.00 0.00 N ATOM 616 CA MET A 420 -1.893 -6.567 -8.264 1.00 0.00 C ATOM 617 C MET A 420 -3.157 -6.603 -7.383 1.00 0.00 C ATOM 618 O MET A 420 -3.658 -7.690 -7.090 1.00 0.00 O ATOM 619 CB MET A 420 -0.612 -6.396 -7.433 1.00 0.00 C ATOM 620 CG MET A 420 -0.487 -7.379 -6.268 1.00 0.00 C ATOM 621 SD MET A 420 0.973 -7.089 -5.238 1.00 0.00 S ATOM 622 CE MET A 420 2.207 -7.953 -6.227 1.00 0.00 C ATOM 0 H MET A 420 -1.240 -4.750 -9.059 1.00 0.00 H new ATOM 0 HA MET A 420 -1.887 -7.530 -8.775 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.251 -6.514 -8.088 1.00 0.00 H new ATOM 0 HB3 MET A 420 -0.579 -5.379 -7.042 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.380 -7.311 -5.647 1.00 0.00 H new ATOM 0 HG3 MET A 420 -0.449 -8.395 -6.662 1.00 0.00 H new ATOM 0 HE1 MET A 420 3.168 -7.447 -6.133 1.00 0.00 H new ATOM 0 HE2 MET A 420 2.302 -8.980 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 420 1.899 -7.955 -7.273 1.00 0.00 H new ATOM 632 N PHE A 421 -3.684 -5.441 -6.972 1.00 0.00 N ATOM 633 CA PHE A 421 -4.814 -5.324 -6.036 1.00 0.00 C ATOM 634 C PHE A 421 -6.178 -5.049 -6.704 1.00 0.00 C ATOM 635 O PHE A 421 -7.215 -5.295 -6.090 1.00 0.00 O ATOM 636 CB PHE A 421 -4.462 -4.296 -4.946 1.00 0.00 C ATOM 637 CG PHE A 421 -3.583 -4.857 -3.838 1.00 0.00 C ATOM 638 CD1 PHE A 421 -2.199 -5.039 -4.030 1.00 0.00 C ATOM 639 CD2 PHE A 421 -4.157 -5.226 -2.605 1.00 0.00 C ATOM 640 CE1 PHE A 421 -1.404 -5.593 -3.011 1.00 0.00 C ATOM 641 CE2 PHE A 421 -3.364 -5.788 -1.589 1.00 0.00 C ATOM 642 CZ PHE A 421 -1.987 -5.978 -1.794 1.00 0.00 C ATOM 0 H PHE A 421 -3.330 -4.537 -7.287 1.00 0.00 H new ATOM 0 HA PHE A 421 -4.958 -6.302 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.954 -3.450 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -5.384 -3.914 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -1.745 -4.751 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -5.214 -5.076 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.343 -5.722 -3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.814 -6.074 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 421 -1.379 -6.419 -1.018 1.00 0.00 H new ATOM 652 N MET A 422 -6.206 -4.641 -7.979 1.00 0.00 N ATOM 653 CA MET A 422 -7.409 -4.468 -8.818 1.00 0.00 C ATOM 654 C MET A 422 -8.518 -5.536 -8.647 1.00 0.00 C ATOM 655 O MET A 422 -9.687 -5.138 -8.605 1.00 0.00 O ATOM 656 CB MET A 422 -6.985 -4.403 -10.301 1.00 0.00 C ATOM 657 CG MET A 422 -6.863 -2.971 -10.817 1.00 0.00 C ATOM 658 SD MET A 422 -6.237 -2.890 -12.516 1.00 0.00 S ATOM 659 CE MET A 422 -6.552 -1.146 -12.883 1.00 0.00 C ATOM 0 H MET A 422 -5.350 -4.410 -8.483 1.00 0.00 H new ATOM 0 HA MET A 422 -7.863 -3.538 -8.475 1.00 0.00 H new ATOM 0 HB2 MET A 422 -6.029 -4.912 -10.424 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.713 -4.942 -10.907 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.839 -2.488 -10.771 1.00 0.00 H new ATOM 0 HG3 MET A 422 -6.198 -2.409 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 422 -6.672 -1.016 -13.959 1.00 0.00 H new ATOM 0 HE2 MET A 422 -7.462 -0.826 -12.375 1.00 0.00 H new ATOM 0 HE3 MET A 422 -5.712 -0.544 -12.537 1.00 0.00 H new ATOM 669 N PRO A 423 -8.213 -6.850 -8.548 1.00 0.00 N ATOM 670 CA PRO A 423 -9.225 -7.904 -8.451 1.00 0.00 C ATOM 671 C PRO A 423 -10.142 -7.865 -7.218 1.00 0.00 C ATOM 672 O PRO A 423 -11.185 -8.520 -7.245 1.00 0.00 O ATOM 673 CB PRO A 423 -8.447 -9.224 -8.480 1.00 0.00 C ATOM 674 CG PRO A 423 -7.192 -8.878 -9.274 1.00 0.00 C ATOM 675 CD PRO A 423 -6.911 -7.454 -8.806 1.00 0.00 C ATOM 0 HA PRO A 423 -9.921 -7.770 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -8.204 -9.569 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -9.020 -10.017 -8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -6.366 -9.553 -9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -7.361 -8.929 -10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -6.296 -7.454 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.365 -6.894 -9.566 1.00 0.00 H new ATOM 683 N PHE A 424 -9.791 -7.131 -6.149 1.00 0.00 N ATOM 684 CA PHE A 424 -10.490 -7.220 -4.857 1.00 0.00 C ATOM 685 C PHE A 424 -11.474 -6.066 -4.574 1.00 0.00 C ATOM 686 O PHE A 424 -12.187 -6.115 -3.570 1.00 0.00 O ATOM 687 CB PHE A 424 -9.440 -7.391 -3.747 1.00 0.00 C ATOM 688 CG PHE A 424 -8.373 -8.431 -4.054 1.00 0.00 C ATOM 689 CD1 PHE A 424 -8.741 -9.776 -4.253 1.00 0.00 C ATOM 690 CD2 PHE A 424 -7.029 -8.045 -4.225 1.00 0.00 C ATOM 691 CE1 PHE A 424 -7.776 -10.721 -4.645 1.00 0.00 C ATOM 692 CE2 PHE A 424 -6.068 -8.990 -4.621 1.00 0.00 C ATOM 693 CZ PHE A 424 -6.440 -10.329 -4.833 1.00 0.00 C ATOM 0 H PHE A 424 -9.020 -6.463 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 424 -11.141 -8.093 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -8.955 -6.431 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -9.947 -7.668 -2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -9.766 -10.082 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -6.737 -7.020 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -8.063 -11.750 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -5.041 -8.687 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 424 -5.701 -11.054 -5.140 1.00 0.00 H new ATOM 703 N GLY A 425 -11.562 -5.063 -5.461 1.00 0.00 N ATOM 704 CA GLY A 425 -12.551 -3.972 -5.399 1.00 0.00 C ATOM 705 C GLY A 425 -12.087 -2.645 -6.007 1.00 0.00 C ATOM 706 O GLY A 425 -11.069 -2.579 -6.696 1.00 0.00 O ATOM 0 H GLY A 425 -10.933 -4.985 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -13.457 -4.293 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -12.819 -3.803 -4.356 1.00 0.00 H new ATOM 710 N ASN A 426 -12.840 -1.574 -5.743 1.00 0.00 N ATOM 711 CA ASN A 426 -12.541 -0.230 -6.251 1.00 0.00 C ATOM 712 C ASN A 426 -11.402 0.447 -5.461 1.00 0.00 C ATOM 713 O ASN A 426 -11.609 0.957 -4.357 1.00 0.00 O ATOM 714 CB ASN A 426 -13.814 0.629 -6.251 1.00 0.00 C ATOM 715 CG ASN A 426 -13.537 2.059 -6.721 1.00 0.00 C ATOM 716 OD1 ASN A 426 -12.647 2.312 -7.529 1.00 0.00 O ATOM 717 ND2 ASN A 426 -14.262 3.035 -6.216 1.00 0.00 N ATOM 0 H ASN A 426 -13.681 -1.614 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 426 -12.189 -0.329 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -14.561 0.172 -6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -14.236 0.652 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -14.084 4.000 -6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -15.001 2.827 -5.545 1.00 0.00 H new ATOM 724 N VAL A 427 -10.208 0.480 -6.056 1.00 0.00 N ATOM 725 CA VAL A 427 -9.024 1.176 -5.527 1.00 0.00 C ATOM 726 C VAL A 427 -9.123 2.672 -5.848 1.00 0.00 C ATOM 727 O VAL A 427 -9.181 3.055 -7.015 1.00 0.00 O ATOM 728 CB VAL A 427 -7.722 0.593 -6.122 1.00 0.00 C ATOM 729 CG1 VAL A 427 -6.486 1.351 -5.612 1.00 0.00 C ATOM 730 CG2 VAL A 427 -7.559 -0.899 -5.777 1.00 0.00 C ATOM 0 H VAL A 427 -10.029 0.012 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 427 -8.994 1.034 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 427 -7.800 0.706 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.587 0.917 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.559 2.400 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -6.435 1.275 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -6.633 -1.274 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -7.527 -1.021 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -8.402 -1.460 -6.180 1.00 0.00 H new ATOM 740 N VAL A 428 -9.105 3.507 -4.809 1.00 0.00 N ATOM 741 CA VAL A 428 -9.109 4.979 -4.886 1.00 0.00 C ATOM 742 C VAL A 428 -7.692 5.522 -5.121 1.00 0.00 C ATOM 743 O VAL A 428 -7.520 6.510 -5.831 1.00 0.00 O ATOM 744 CB VAL A 428 -9.719 5.599 -3.603 1.00 0.00 C ATOM 745 CG1 VAL A 428 -9.696 7.139 -3.606 1.00 0.00 C ATOM 746 CG2 VAL A 428 -11.178 5.142 -3.425 1.00 0.00 C ATOM 0 H VAL A 428 -9.086 3.168 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 428 -9.730 5.265 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 428 -9.097 5.249 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -10.137 7.511 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -8.666 7.487 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -10.269 7.510 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -11.591 5.587 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -11.766 5.460 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -11.212 4.056 -3.344 1.00 0.00 H new ATOM 756 N SER A 429 -6.667 4.850 -4.587 1.00 0.00 N ATOM 757 CA SER A 429 -5.260 5.234 -4.747 1.00 0.00 C ATOM 758 C SER A 429 -4.304 4.062 -4.466 1.00 0.00 C ATOM 759 O SER A 429 -4.603 3.174 -3.662 1.00 0.00 O ATOM 760 CB SER A 429 -4.921 6.444 -3.858 1.00 0.00 C ATOM 761 OG SER A 429 -5.052 6.114 -2.490 1.00 0.00 O ATOM 0 H SER A 429 -6.793 4.010 -4.022 1.00 0.00 H new ATOM 0 HA SER A 429 -5.119 5.519 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 429 -3.903 6.776 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.582 7.276 -4.101 1.00 0.00 H new ATOM 0 HG SER A 429 -5.259 6.923 -1.977 1.00 0.00 H new ATOM 767 N ALA A 430 -3.144 4.068 -5.132 1.00 0.00 N ATOM 768 CA ALA A 430 -2.070 3.089 -4.984 1.00 0.00 C ATOM 769 C ALA A 430 -0.719 3.819 -5.016 1.00 0.00 C ATOM 770 O ALA A 430 -0.455 4.626 -5.914 1.00 0.00 O ATOM 771 CB ALA A 430 -2.192 2.035 -6.094 1.00 0.00 C ATOM 0 H ALA A 430 -2.922 4.789 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 430 -2.143 2.570 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -1.393 1.301 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -3.157 1.534 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -2.113 2.520 -7.067 1.00 0.00 H new ATOM 777 N LYS A 431 0.128 3.548 -4.023 1.00 0.00 N ATOM 778 CA LYS A 431 1.349 4.317 -3.760 1.00 0.00 C ATOM 779 C LYS A 431 2.448 3.441 -3.140 1.00 0.00 C ATOM 780 O LYS A 431 2.391 3.113 -1.957 1.00 0.00 O ATOM 781 CB LYS A 431 0.959 5.506 -2.857 1.00 0.00 C ATOM 782 CG LYS A 431 2.100 6.434 -2.405 1.00 0.00 C ATOM 783 CD LYS A 431 2.864 7.113 -3.549 1.00 0.00 C ATOM 784 CE LYS A 431 3.801 8.176 -2.961 1.00 0.00 C ATOM 785 NZ LYS A 431 4.572 8.895 -4.005 1.00 0.00 N ATOM 0 H LYS A 431 -0.015 2.778 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 431 1.775 4.690 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 431 0.221 6.108 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 431 0.469 5.111 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 431 1.687 7.205 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 431 2.805 5.856 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 431 3.437 6.375 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 431 2.165 7.572 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 431 3.215 8.894 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 431 4.493 7.701 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 5.189 9.601 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 5.153 8.216 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 3.915 9.372 -4.655 1.00 0.00 H new ATOM 799 N VAL A 432 3.457 3.074 -3.925 1.00 0.00 N ATOM 800 CA VAL A 432 4.696 2.453 -3.435 1.00 0.00 C ATOM 801 C VAL A 432 5.582 3.591 -2.913 1.00 0.00 C ATOM 802 O VAL A 432 5.626 4.659 -3.526 1.00 0.00 O ATOM 803 CB VAL A 432 5.426 1.652 -4.540 1.00 0.00 C ATOM 804 CG1 VAL A 432 6.671 0.948 -3.975 1.00 0.00 C ATOM 805 CG2 VAL A 432 4.527 0.570 -5.162 1.00 0.00 C ATOM 0 H VAL A 432 3.442 3.199 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 432 4.466 1.734 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 432 5.704 2.378 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 432 7.167 0.392 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 432 7.357 1.692 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 432 6.373 0.261 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 432 5.082 0.034 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 432 4.212 -0.130 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 432 3.649 1.038 -5.607 1.00 0.00 H new ATOM 815 N PHE A 433 6.261 3.399 -1.779 1.00 0.00 N ATOM 816 CA PHE A 433 7.143 4.419 -1.218 1.00 0.00 C ATOM 817 C PHE A 433 8.502 4.395 -1.937 1.00 0.00 C ATOM 818 O PHE A 433 9.261 3.428 -1.832 1.00 0.00 O ATOM 819 CB PHE A 433 7.252 4.237 0.301 1.00 0.00 C ATOM 820 CG PHE A 433 7.830 5.446 1.013 1.00 0.00 C ATOM 821 CD1 PHE A 433 9.222 5.639 1.057 1.00 0.00 C ATOM 822 CD2 PHE A 433 6.980 6.382 1.634 1.00 0.00 C ATOM 823 CE1 PHE A 433 9.766 6.743 1.736 1.00 0.00 C ATOM 824 CE2 PHE A 433 7.523 7.491 2.309 1.00 0.00 C ATOM 825 CZ PHE A 433 8.916 7.664 2.372 1.00 0.00 C ATOM 0 H PHE A 433 6.214 2.540 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 433 6.725 5.412 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 433 6.262 4.025 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 433 7.876 3.368 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 433 9.877 4.935 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 433 5.909 6.248 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 433 10.836 6.883 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 433 6.868 8.210 2.779 1.00 0.00 H new ATOM 0 HZ PHE A 433 9.333 8.504 2.908 1.00 0.00 H new ATOM 835 N ILE A 434 8.803 5.457 -2.691 1.00 0.00 N ATOM 836 CA ILE A 434 9.990 5.576 -3.556 1.00 0.00 C ATOM 837 C ILE A 434 10.959 6.626 -2.999 1.00 0.00 C ATOM 838 O ILE A 434 10.547 7.715 -2.596 1.00 0.00 O ATOM 839 CB ILE A 434 9.580 5.928 -5.010 1.00 0.00 C ATOM 840 CG1 ILE A 434 8.470 5.036 -5.615 1.00 0.00 C ATOM 841 CG2 ILE A 434 10.802 5.899 -5.943 1.00 0.00 C ATOM 842 CD1 ILE A 434 8.770 3.532 -5.643 1.00 0.00 C ATOM 0 H ILE A 434 8.210 6.287 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 434 10.498 4.612 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 434 9.163 6.932 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 434 7.552 5.195 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 434 8.277 5.369 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 434 10.491 6.149 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 434 11.539 6.625 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 434 11.243 4.902 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 434 7.927 3.001 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 434 9.666 3.351 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 434 8.930 3.174 -4.626 1.00 0.00 H new ATOM 952 N SER A 441 12.335 1.669 -4.789 1.00 0.00 N ATOM 953 CA SER A 441 11.310 1.383 -3.781 1.00 0.00 C ATOM 954 C SER A 441 11.967 0.941 -2.465 1.00 0.00 C ATOM 955 O SER A 441 12.909 0.145 -2.453 1.00 0.00 O ATOM 956 CB SER A 441 10.336 0.318 -4.304 1.00 0.00 C ATOM 957 OG SER A 441 9.621 -0.312 -3.248 1.00 0.00 O ATOM 0 HA SER A 441 10.741 2.291 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 441 9.631 0.779 -4.995 1.00 0.00 H new ATOM 0 HB3 SER A 441 10.889 -0.434 -4.867 1.00 0.00 H new ATOM 0 HG SER A 441 9.010 -0.982 -3.620 1.00 0.00 H new ATOM 963 N LYS A 442 11.443 1.429 -1.336 1.00 0.00 N ATOM 964 CA LYS A 442 11.900 1.075 0.015 1.00 0.00 C ATOM 965 C LYS A 442 11.313 -0.260 0.538 1.00 0.00 C ATOM 966 O LYS A 442 11.353 -0.519 1.742 1.00 0.00 O ATOM 967 CB LYS A 442 11.592 2.260 0.954 1.00 0.00 C ATOM 968 CG LYS A 442 12.262 3.599 0.586 1.00 0.00 C ATOM 969 CD LYS A 442 13.790 3.575 0.433 1.00 0.00 C ATOM 970 CE LYS A 442 14.484 2.856 1.594 1.00 0.00 C ATOM 971 NZ LYS A 442 15.960 3.027 1.531 1.00 0.00 N ATOM 0 H LYS A 442 10.672 2.096 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 442 12.975 0.897 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 442 10.513 2.410 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 442 11.898 1.988 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 442 11.830 3.952 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 442 12.006 4.332 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 442 14.051 3.082 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 442 14.162 4.598 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 442 14.111 3.246 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 442 14.237 1.795 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 16.402 2.529 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 16.317 2.633 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 16.195 4.039 1.581 1.00 0.00 H new ATOM 985 N CYS A 443 10.715 -1.072 -0.348 1.00 0.00 N ATOM 986 CA CYS A 443 10.079 -2.378 -0.089 1.00 0.00 C ATOM 987 C CYS A 443 8.700 -2.293 0.597 1.00 0.00 C ATOM 988 O CYS A 443 8.146 -3.335 0.954 1.00 0.00 O ATOM 989 CB CYS A 443 11.032 -3.345 0.649 1.00 0.00 C ATOM 990 SG CYS A 443 12.497 -3.694 -0.362 1.00 0.00 S ATOM 0 H CYS A 443 10.658 -0.817 -1.334 1.00 0.00 H new ATOM 0 HA CYS A 443 9.876 -2.794 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 443 11.336 -2.909 1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 443 10.511 -4.275 0.876 1.00 0.00 H new ATOM 0 HG CYS A 443 12.140 -4.327 -1.440 1.00 0.00 H new ATOM 996 N PHE A 444 8.122 -1.095 0.748 1.00 0.00 N ATOM 997 CA PHE A 444 6.800 -0.888 1.349 1.00 0.00 C ATOM 998 C PHE A 444 5.925 0.059 0.518 1.00 0.00 C ATOM 999 O PHE A 444 6.426 0.943 -0.178 1.00 0.00 O ATOM 1000 CB PHE A 444 6.932 -0.451 2.816 1.00 0.00 C ATOM 1001 CG PHE A 444 7.370 0.979 3.083 1.00 0.00 C ATOM 1002 CD1 PHE A 444 8.736 1.279 3.235 1.00 0.00 C ATOM 1003 CD2 PHE A 444 6.411 1.997 3.253 1.00 0.00 C ATOM 1004 CE1 PHE A 444 9.147 2.588 3.545 1.00 0.00 C ATOM 1005 CE2 PHE A 444 6.819 3.304 3.581 1.00 0.00 C ATOM 1006 CZ PHE A 444 8.186 3.599 3.727 1.00 0.00 C ATOM 0 H PHE A 444 8.568 -0.227 0.450 1.00 0.00 H new ATOM 0 HA PHE A 444 6.276 -1.844 1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 444 5.968 -0.604 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 444 7.643 -1.118 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 444 9.474 0.500 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 444 5.361 1.774 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 444 10.198 2.816 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 444 6.081 4.081 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 444 8.498 4.602 3.979 1.00 0.00 H new ATOM 1016 N GLY A 445 4.609 -0.158 0.575 1.00 0.00 N ATOM 1017 CA GLY A 445 3.605 0.582 -0.191 1.00 0.00 C ATOM 1018 C GLY A 445 2.197 0.484 0.390 1.00 0.00 C ATOM 1019 O GLY A 445 1.964 -0.191 1.395 1.00 0.00 O ATOM 0 H GLY A 445 4.201 -0.876 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 445 3.897 1.631 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 445 3.593 0.208 -1.215 1.00 0.00 H new ATOM 1023 N PHE A 446 1.255 1.160 -0.266 1.00 0.00 N ATOM 1024 CA PHE A 446 -0.106 1.382 0.216 1.00 0.00 C ATOM 1025 C PHE A 446 -1.146 1.233 -0.894 1.00 0.00 C ATOM 1026 O PHE A 446 -0.886 1.573 -2.049 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.216 2.787 0.828 1.00 0.00 C ATOM 1028 CG PHE A 446 0.727 3.045 1.981 1.00 0.00 C ATOM 1029 CD1 PHE A 446 0.343 2.709 3.293 1.00 0.00 C ATOM 1030 CD2 PHE A 446 1.994 3.606 1.739 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.224 2.945 4.362 1.00 0.00 C ATOM 1032 CE2 PHE A 446 2.882 3.821 2.804 1.00 0.00 C ATOM 1033 CZ PHE A 446 2.495 3.495 4.114 1.00 0.00 C ATOM 0 H PHE A 446 1.425 1.582 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 446 -0.312 0.621 0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 446 -0.027 3.525 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.239 2.941 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 446 -0.627 2.271 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 446 2.283 3.871 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 446 0.926 2.705 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 446 3.861 4.236 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.176 3.667 4.934 1.00 0.00 H new ATOM 1043 N VAL A 447 -2.345 0.785 -0.513 1.00 0.00 N ATOM 1044 CA VAL A 447 -3.526 0.693 -1.391 1.00 0.00 C ATOM 1045 C VAL A 447 -4.755 1.134 -0.595 1.00 0.00 C ATOM 1046 O VAL A 447 -5.018 0.594 0.475 1.00 0.00 O ATOM 1047 CB VAL A 447 -3.726 -0.738 -1.955 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -5.012 -0.862 -2.791 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -2.547 -1.170 -2.843 1.00 0.00 C ATOM 0 H VAL A 447 -2.531 0.467 0.438 1.00 0.00 H new ATOM 0 HA VAL A 447 -3.376 1.346 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 447 -3.795 -1.386 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -5.107 -1.882 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -5.875 -0.621 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -4.967 -0.171 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -2.725 -2.178 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.452 -0.481 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.627 -1.158 -2.258 1.00 0.00 H new ATOM 1059 N SER A 448 -5.502 2.108 -1.110 1.00 0.00 N ATOM 1060 CA SER A 448 -6.720 2.629 -0.472 1.00 0.00 C ATOM 1061 C SER A 448 -7.967 2.272 -1.282 1.00 0.00 C ATOM 1062 O SER A 448 -8.085 2.628 -2.454 1.00 0.00 O ATOM 1063 CB SER A 448 -6.659 4.154 -0.331 1.00 0.00 C ATOM 1064 OG SER A 448 -5.558 4.574 0.456 1.00 0.00 O ATOM 0 H SER A 448 -5.280 2.567 -1.993 1.00 0.00 H new ATOM 0 HA SER A 448 -6.780 2.168 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 448 -6.590 4.606 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 448 -7.584 4.513 0.120 1.00 0.00 H new ATOM 0 HG SER A 448 -5.770 4.456 1.405 1.00 0.00 H new ATOM 1070 N TYR A 449 -8.927 1.605 -0.644 1.00 0.00 N ATOM 1071 CA TYR A 449 -10.245 1.300 -1.209 1.00 0.00 C ATOM 1072 C TYR A 449 -11.295 2.366 -0.855 1.00 0.00 C ATOM 1073 O TYR A 449 -11.088 3.203 0.026 1.00 0.00 O ATOM 1074 CB TYR A 449 -10.670 -0.093 -0.721 1.00 0.00 C ATOM 1075 CG TYR A 449 -9.913 -1.205 -1.409 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -10.381 -1.688 -2.645 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -8.730 -1.727 -0.849 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -9.672 -2.693 -3.321 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -8.025 -2.745 -1.518 1.00 0.00 C ATOM 1080 CZ TYR A 449 -8.500 -3.228 -2.757 1.00 0.00 C ATOM 1081 OH TYR A 449 -7.841 -4.208 -3.427 1.00 0.00 O ATOM 0 H TYR A 449 -8.809 1.251 0.305 1.00 0.00 H new ATOM 0 HA TYR A 449 -10.174 1.307 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 449 -10.510 -0.161 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -11.738 -0.224 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 449 -11.287 -1.285 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -8.364 -1.346 0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 449 -10.026 -3.056 -4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -7.124 -3.155 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 449 -8.003 -4.112 -4.389 1.00 0.00 H new ATOM 1091 N ASP A 450 -12.453 2.312 -1.518 1.00 0.00 N ATOM 1092 CA ASP A 450 -13.628 3.123 -1.169 1.00 0.00 C ATOM 1093 C ASP A 450 -14.460 2.539 -0.004 1.00 0.00 C ATOM 1094 O ASP A 450 -15.412 3.179 0.448 1.00 0.00 O ATOM 1095 CB ASP A 450 -14.478 3.398 -2.425 1.00 0.00 C ATOM 1096 CG ASP A 450 -15.247 2.198 -3.007 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -15.079 1.050 -2.536 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -16.012 2.424 -3.975 1.00 0.00 O ATOM 0 H ASP A 450 -12.605 1.700 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 450 -13.260 4.076 -0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -15.197 4.181 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.823 3.793 -3.201 1.00 0.00 H new ATOM 1103 N ASN A 451 -14.097 1.353 0.507 1.00 0.00 N ATOM 1104 CA ASN A 451 -14.789 0.647 1.588 1.00 0.00 C ATOM 1105 C ASN A 451 -13.854 -0.371 2.292 1.00 0.00 C ATOM 1106 O ASN A 451 -12.857 -0.797 1.695 1.00 0.00 O ATOM 1107 CB ASN A 451 -16.046 -0.034 1.010 1.00 0.00 C ATOM 1108 CG ASN A 451 -15.704 -1.335 0.298 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -15.623 -2.380 0.933 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -15.428 -1.314 -0.988 1.00 0.00 N ATOM 0 H ASN A 451 -13.283 0.843 0.164 1.00 0.00 H new ATOM 0 HA ASN A 451 -15.091 1.362 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -16.754 -0.234 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 451 -16.539 0.644 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -15.144 -2.171 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -15.498 -0.441 -1.510 1.00 0.00 H new ATOM 1117 N PRO A 452 -14.169 -0.804 3.530 1.00 0.00 N ATOM 1118 CA PRO A 452 -13.299 -1.681 4.308 1.00 0.00 C ATOM 1119 C PRO A 452 -13.435 -3.174 3.958 1.00 0.00 C ATOM 1120 O PRO A 452 -12.531 -3.940 4.279 1.00 0.00 O ATOM 1121 CB PRO A 452 -13.662 -1.401 5.767 1.00 0.00 C ATOM 1122 CG PRO A 452 -15.145 -1.052 5.698 1.00 0.00 C ATOM 1123 CD PRO A 452 -15.303 -0.371 4.338 1.00 0.00 C ATOM 0 HA PRO A 452 -12.253 -1.470 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -13.482 -2.270 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -13.074 -0.580 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -15.768 -1.943 5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -15.437 -0.389 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -16.245 -0.654 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -15.313 0.714 4.445 1.00 0.00 H new ATOM 1131 N VAL A 453 -14.508 -3.605 3.280 1.00 0.00 N ATOM 1132 CA VAL A 453 -14.724 -5.019 2.918 1.00 0.00 C ATOM 1133 C VAL A 453 -13.806 -5.420 1.756 1.00 0.00 C ATOM 1134 O VAL A 453 -13.243 -6.511 1.781 1.00 0.00 O ATOM 1135 CB VAL A 453 -16.205 -5.320 2.576 1.00 0.00 C ATOM 1136 CG1 VAL A 453 -16.435 -6.817 2.298 1.00 0.00 C ATOM 1137 CG2 VAL A 453 -17.142 -4.891 3.722 1.00 0.00 C ATOM 0 H VAL A 453 -15.254 -2.984 2.965 1.00 0.00 H new ATOM 0 HA VAL A 453 -14.472 -5.619 3.793 1.00 0.00 H new ATOM 0 HB VAL A 453 -16.433 -4.747 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -17.486 -6.986 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -15.819 -7.129 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -16.163 -7.397 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -18.174 -5.115 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -16.879 -5.434 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -17.037 -3.820 3.896 1.00 0.00 H new ATOM 1147 N SER A 454 -13.575 -4.531 0.779 1.00 0.00 N ATOM 1148 CA SER A 454 -12.621 -4.787 -0.314 1.00 0.00 C ATOM 1149 C SER A 454 -11.171 -4.851 0.194 1.00 0.00 C ATOM 1150 O SER A 454 -10.404 -5.723 -0.220 1.00 0.00 O ATOM 1151 CB SER A 454 -12.756 -3.706 -1.392 1.00 0.00 C ATOM 1152 OG SER A 454 -14.058 -3.703 -1.967 1.00 0.00 O ATOM 0 H SER A 454 -14.038 -3.624 0.722 1.00 0.00 H new ATOM 0 HA SER A 454 -12.862 -5.760 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 454 -12.547 -2.729 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 454 -12.013 -3.873 -2.172 1.00 0.00 H new ATOM 0 HG SER A 454 -14.122 -4.417 -2.635 1.00 0.00 H new ATOM 1158 N ALA A 455 -10.813 -3.994 1.160 1.00 0.00 N ATOM 1159 CA ALA A 455 -9.527 -4.035 1.853 1.00 0.00 C ATOM 1160 C ALA A 455 -9.334 -5.352 2.632 1.00 0.00 C ATOM 1161 O ALA A 455 -8.328 -6.038 2.448 1.00 0.00 O ATOM 1162 CB ALA A 455 -9.446 -2.790 2.748 1.00 0.00 C ATOM 0 H ALA A 455 -11.422 -3.242 1.484 1.00 0.00 H new ATOM 0 HA ALA A 455 -8.706 -4.017 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -8.496 -2.787 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -9.518 -1.894 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -10.266 -2.804 3.466 1.00 0.00 H new ATOM 1168 N GLN A 456 -10.312 -5.754 3.448 1.00 0.00 N ATOM 1169 CA GLN A 456 -10.287 -7.021 4.192 1.00 0.00 C ATOM 1170 C GLN A 456 -10.180 -8.251 3.276 1.00 0.00 C ATOM 1171 O GLN A 456 -9.392 -9.159 3.545 1.00 0.00 O ATOM 1172 CB GLN A 456 -11.555 -7.115 5.057 1.00 0.00 C ATOM 1173 CG GLN A 456 -11.472 -6.295 6.359 1.00 0.00 C ATOM 1174 CD GLN A 456 -10.494 -6.845 7.405 1.00 0.00 C ATOM 1175 OE1 GLN A 456 -9.817 -7.851 7.226 1.00 0.00 O ATOM 1176 NE2 GLN A 456 -10.375 -6.201 8.548 1.00 0.00 N ATOM 0 H GLN A 456 -11.155 -5.204 3.614 1.00 0.00 H new ATOM 0 HA GLN A 456 -9.394 -7.022 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -12.409 -6.771 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -11.739 -8.160 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -11.180 -5.274 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -12.466 -6.244 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.928 -5.361 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.730 -6.542 9.261 1.00 0.00 H new ATOM 1185 N ALA A 457 -10.942 -8.283 2.180 1.00 0.00 N ATOM 1186 CA ALA A 457 -10.870 -9.341 1.168 1.00 0.00 C ATOM 1187 C ALA A 457 -9.488 -9.417 0.492 1.00 0.00 C ATOM 1188 O ALA A 457 -8.998 -10.514 0.217 1.00 0.00 O ATOM 1189 CB ALA A 457 -11.988 -9.112 0.144 1.00 0.00 C ATOM 0 H ALA A 457 -11.635 -7.566 1.967 1.00 0.00 H new ATOM 0 HA ALA A 457 -11.010 -10.305 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -11.949 -9.891 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -12.954 -9.144 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -11.856 -8.138 -0.327 1.00 0.00 H new ATOM 1195 N ALA A 458 -8.828 -8.274 0.276 1.00 0.00 N ATOM 1196 CA ALA A 458 -7.480 -8.223 -0.279 1.00 0.00 C ATOM 1197 C ALA A 458 -6.412 -8.705 0.717 1.00 0.00 C ATOM 1198 O ALA A 458 -5.510 -9.428 0.306 1.00 0.00 O ATOM 1199 CB ALA A 458 -7.208 -6.802 -0.764 1.00 0.00 C ATOM 0 H ALA A 458 -9.220 -7.356 0.484 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.419 -8.913 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.203 -6.746 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.935 -6.534 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.291 -6.109 0.074 1.00 0.00 H new ATOM 1205 N ILE A 459 -6.528 -8.411 2.023 1.00 0.00 N ATOM 1206 CA ILE A 459 -5.621 -8.962 3.059 1.00 0.00 C ATOM 1207 C ILE A 459 -5.672 -10.491 3.038 1.00 0.00 C ATOM 1208 O ILE A 459 -4.635 -11.154 3.004 1.00 0.00 O ATOM 1209 CB ILE A 459 -5.977 -8.417 4.469 1.00 0.00 C ATOM 1210 CG1 ILE A 459 -5.727 -6.897 4.534 1.00 0.00 C ATOM 1211 CG2 ILE A 459 -5.163 -9.133 5.567 1.00 0.00 C ATOM 1212 CD1 ILE A 459 -6.266 -6.224 5.805 1.00 0.00 C ATOM 0 H ILE A 459 -7.246 -7.789 2.394 1.00 0.00 H new ATOM 0 HA ILE A 459 -4.605 -8.640 2.832 1.00 0.00 H new ATOM 0 HB ILE A 459 -7.034 -8.614 4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -4.655 -6.713 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.187 -6.427 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -5.434 -8.730 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -5.380 -10.201 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -4.099 -8.975 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.049 -5.156 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.344 -6.373 5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -5.788 -6.664 6.680 1.00 0.00 H new ATOM 1224 N GLN A 460 -6.887 -11.036 3.000 1.00 0.00 N ATOM 1225 CA GLN A 460 -7.155 -12.473 2.968 1.00 0.00 C ATOM 1226 C GLN A 460 -6.681 -13.150 1.667 1.00 0.00 C ATOM 1227 O GLN A 460 -6.461 -14.361 1.656 1.00 0.00 O ATOM 1228 CB GLN A 460 -8.665 -12.668 3.177 1.00 0.00 C ATOM 1229 CG GLN A 460 -9.083 -12.408 4.633 1.00 0.00 C ATOM 1230 CD GLN A 460 -10.603 -12.364 4.781 1.00 0.00 C ATOM 1231 OE1 GLN A 460 -11.260 -13.340 5.125 1.00 0.00 O ATOM 1232 NE2 GLN A 460 -11.218 -11.230 4.515 1.00 0.00 N ATOM 0 H GLN A 460 -7.737 -10.473 2.990 1.00 0.00 H new ATOM 0 HA GLN A 460 -6.586 -12.955 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.212 -11.995 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -8.942 -13.684 2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -8.677 -13.190 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -8.656 -11.464 4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -10.679 -10.413 4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -12.233 -11.169 4.596 1.00 0.00 H new ATOM 1241 N SER A 461 -6.487 -12.394 0.584 1.00 0.00 N ATOM 1242 CA SER A 461 -6.031 -12.903 -0.714 1.00 0.00 C ATOM 1243 C SER A 461 -4.531 -12.679 -0.994 1.00 0.00 C ATOM 1244 O SER A 461 -3.947 -13.424 -1.785 1.00 0.00 O ATOM 1245 CB SER A 461 -6.852 -12.226 -1.817 1.00 0.00 C ATOM 1246 OG SER A 461 -8.241 -12.506 -1.698 1.00 0.00 O ATOM 0 H SER A 461 -6.646 -11.386 0.584 1.00 0.00 H new ATOM 0 HA SER A 461 -6.177 -13.983 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 461 -6.695 -11.148 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 461 -6.497 -12.563 -2.791 1.00 0.00 H new ATOM 0 HG SER A 461 -8.646 -11.886 -1.056 1.00 0.00 H new ATOM 1252 N MET A 462 -3.897 -11.685 -0.352 1.00 0.00 N ATOM 1253 CA MET A 462 -2.542 -11.209 -0.686 1.00 0.00 C ATOM 1254 C MET A 462 -1.500 -11.364 0.425 1.00 0.00 C ATOM 1255 O MET A 462 -0.305 -11.311 0.129 1.00 0.00 O ATOM 1256 CB MET A 462 -2.605 -9.735 -1.122 1.00 0.00 C ATOM 1257 CG MET A 462 -3.427 -9.529 -2.401 1.00 0.00 C ATOM 1258 SD MET A 462 -2.857 -10.446 -3.860 1.00 0.00 S ATOM 1259 CE MET A 462 -1.198 -9.746 -4.001 1.00 0.00 C ATOM 0 H MET A 462 -4.318 -11.180 0.428 1.00 0.00 H new ATOM 0 HA MET A 462 -2.204 -11.856 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 462 -3.038 -9.141 -0.317 1.00 0.00 H new ATOM 0 HB3 MET A 462 -1.593 -9.364 -1.282 1.00 0.00 H new ATOM 0 HG2 MET A 462 -4.459 -9.813 -2.197 1.00 0.00 H new ATOM 0 HG3 MET A 462 -3.430 -8.466 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.807 -9.935 -5.001 1.00 0.00 H new ATOM 0 HE2 MET A 462 -1.240 -8.671 -3.825 1.00 0.00 H new ATOM 0 HE3 MET A 462 -0.544 -10.209 -3.262 1.00 0.00 H new ATOM 1269 N ASN A 463 -1.894 -11.585 1.682 1.00 0.00 N ATOM 1270 CA ASN A 463 -0.927 -11.827 2.755 1.00 0.00 C ATOM 1271 C ASN A 463 -0.239 -13.197 2.567 1.00 0.00 C ATOM 1272 O ASN A 463 -0.873 -14.250 2.673 1.00 0.00 O ATOM 1273 CB ASN A 463 -1.608 -11.678 4.124 1.00 0.00 C ATOM 1274 CG ASN A 463 -0.580 -11.644 5.248 1.00 0.00 C ATOM 1275 OD1 ASN A 463 0.357 -10.853 5.224 1.00 0.00 O ATOM 1276 ND2 ASN A 463 -0.708 -12.493 6.251 1.00 0.00 N ATOM 0 H ASN A 463 -2.869 -11.601 1.980 1.00 0.00 H new ATOM 0 HA ASN A 463 -0.137 -11.077 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -2.200 -10.763 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -2.297 -12.507 4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -0.026 -12.493 7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -1.489 -13.149 6.267 1.00 0.00 H new ATOM 1283 N GLY A 464 1.060 -13.170 2.250 1.00 0.00 N ATOM 1284 CA GLY A 464 1.894 -14.318 1.871 1.00 0.00 C ATOM 1285 C GLY A 464 2.044 -14.526 0.358 1.00 0.00 C ATOM 1286 O GLY A 464 2.578 -15.562 -0.038 1.00 0.00 O ATOM 0 H GLY A 464 1.588 -12.297 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 464 2.885 -14.190 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 464 1.467 -15.221 2.308 1.00 0.00 H new ATOM 1290 N PHE A 465 1.617 -13.578 -0.494 1.00 0.00 N ATOM 1291 CA PHE A 465 1.798 -13.653 -1.952 1.00 0.00 C ATOM 1292 C PHE A 465 3.290 -13.717 -2.295 1.00 0.00 C ATOM 1293 O PHE A 465 4.033 -12.795 -1.954 1.00 0.00 O ATOM 1294 CB PHE A 465 1.141 -12.430 -2.614 1.00 0.00 C ATOM 1295 CG PHE A 465 1.215 -12.404 -4.134 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.332 -11.861 -4.809 1.00 0.00 C ATOM 1297 CD2 PHE A 465 0.136 -12.913 -4.884 1.00 0.00 C ATOM 1298 CE1 PHE A 465 2.362 -11.832 -6.214 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.167 -12.878 -6.289 1.00 0.00 C ATOM 1300 CZ PHE A 465 1.279 -12.337 -6.956 1.00 0.00 C ATOM 0 H PHE A 465 1.134 -12.734 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 465 1.322 -14.557 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 465 0.093 -12.393 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 465 1.615 -11.528 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.164 -11.468 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -0.720 -13.333 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 465 3.220 -11.421 -6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.665 -13.268 -6.857 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.302 -12.309 -8.035 1.00 0.00 H new ATOM 1310 N GLN A 466 3.742 -14.790 -2.951 1.00 0.00 N ATOM 1311 CA GLN A 466 5.150 -14.932 -3.317 1.00 0.00 C ATOM 1312 C GLN A 466 5.454 -14.158 -4.604 1.00 0.00 C ATOM 1313 O GLN A 466 4.772 -14.316 -5.618 1.00 0.00 O ATOM 1314 CB GLN A 466 5.560 -16.412 -3.404 1.00 0.00 C ATOM 1315 CG GLN A 466 7.092 -16.536 -3.537 1.00 0.00 C ATOM 1316 CD GLN A 466 7.620 -17.968 -3.446 1.00 0.00 C ATOM 1317 OE1 GLN A 466 7.142 -18.793 -2.674 1.00 0.00 O ATOM 1318 NE2 GLN A 466 8.649 -18.304 -4.195 1.00 0.00 N ATOM 0 H GLN A 466 3.152 -15.571 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 466 5.759 -14.492 -2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.221 -16.943 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 466 5.075 -16.881 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 466 7.397 -16.109 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 466 7.562 -15.938 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 466 9.054 -17.625 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 466 9.042 -19.243 -4.130 1.00 0.00 H new ATOM 1327 N ILE A 467 6.510 -13.342 -4.568 1.00 0.00 N ATOM 1328 CA ILE A 467 6.990 -12.540 -5.692 1.00 0.00 C ATOM 1329 C ILE A 467 8.519 -12.688 -5.758 1.00 0.00 C ATOM 1330 O ILE A 467 9.260 -12.208 -4.897 1.00 0.00 O ATOM 1331 CB ILE A 467 6.420 -11.103 -5.580 1.00 0.00 C ATOM 1332 CG1 ILE A 467 6.548 -10.390 -6.938 1.00 0.00 C ATOM 1333 CG2 ILE A 467 7.003 -10.278 -4.418 1.00 0.00 C ATOM 1334 CD1 ILE A 467 5.884 -9.011 -6.993 1.00 0.00 C ATOM 0 H ILE A 467 7.072 -13.218 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 467 6.628 -12.883 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 467 5.364 -11.195 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 467 7.605 -10.281 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 467 6.109 -11.022 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 467 6.550 -9.287 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 467 6.791 -10.779 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 467 8.082 -10.184 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 467 6.022 -8.580 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 467 4.819 -9.112 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 467 6.338 -8.358 -6.247 1.00 0.00 H new ATOM 1346 N GLY A 468 8.992 -13.476 -6.727 1.00 0.00 N ATOM 1347 CA GLY A 468 10.386 -13.931 -6.784 1.00 0.00 C ATOM 1348 C GLY A 468 10.680 -14.864 -5.604 1.00 0.00 C ATOM 1349 O GLY A 468 10.052 -15.918 -5.467 1.00 0.00 O ATOM 0 H GLY A 468 8.418 -13.818 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 468 10.570 -14.451 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 468 11.059 -13.074 -6.757 1.00 0.00 H new ATOM 1353 N MET A 469 11.613 -14.457 -4.738 1.00 0.00 N ATOM 1354 CA MET A 469 11.958 -15.143 -3.478 1.00 0.00 C ATOM 1355 C MET A 469 11.339 -14.480 -2.229 1.00 0.00 C ATOM 1356 O MET A 469 11.506 -14.986 -1.119 1.00 0.00 O ATOM 1357 CB MET A 469 13.489 -15.239 -3.348 1.00 0.00 C ATOM 1358 CG MET A 469 14.118 -16.071 -4.477 1.00 0.00 C ATOM 1359 SD MET A 469 15.924 -16.223 -4.404 1.00 0.00 S ATOM 1360 CE MET A 469 16.101 -17.304 -2.960 1.00 0.00 C ATOM 0 H MET A 469 12.169 -13.616 -4.894 1.00 0.00 H new ATOM 0 HA MET A 469 11.526 -16.143 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 469 13.916 -14.236 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 469 13.743 -15.685 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 469 13.683 -17.070 -4.457 1.00 0.00 H new ATOM 0 HG3 MET A 469 13.845 -15.624 -5.433 1.00 0.00 H new ATOM 0 HE1 MET A 469 17.142 -17.612 -2.861 1.00 0.00 H new ATOM 0 HE2 MET A 469 15.795 -16.766 -2.063 1.00 0.00 H new ATOM 0 HE3 MET A 469 15.472 -18.186 -3.086 1.00 0.00 H new ATOM 1370 N LYS A 470 10.620 -13.362 -2.383 1.00 0.00 N ATOM 1371 CA LYS A 470 9.948 -12.635 -1.292 1.00 0.00 C ATOM 1372 C LYS A 470 8.496 -13.107 -1.111 1.00 0.00 C ATOM 1373 O LYS A 470 7.864 -13.526 -2.081 1.00 0.00 O ATOM 1374 CB LYS A 470 9.946 -11.123 -1.607 1.00 0.00 C ATOM 1375 CG LYS A 470 11.314 -10.488 -1.890 1.00 0.00 C ATOM 1376 CD LYS A 470 12.268 -10.560 -0.686 1.00 0.00 C ATOM 1377 CE LYS A 470 13.542 -9.728 -0.899 1.00 0.00 C ATOM 1378 NZ LYS A 470 14.438 -10.299 -1.941 1.00 0.00 N ATOM 0 H LYS A 470 10.484 -12.923 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 470 10.494 -12.834 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 470 9.304 -10.954 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 470 9.492 -10.598 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 470 11.773 -10.991 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 470 11.173 -9.445 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 470 11.751 -10.206 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 470 12.542 -11.599 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 470 13.264 -8.713 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 470 14.086 -9.658 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 15.280 -9.697 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 14.729 -11.258 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 13.932 -10.341 -2.849 1.00 0.00 H new ATOM 1392 N ARG A 471 7.934 -12.977 0.097 1.00 0.00 N ATOM 1393 CA ARG A 471 6.495 -13.154 0.359 1.00 0.00 C ATOM 1394 C ARG A 471 5.927 -11.895 1.015 1.00 0.00 C ATOM 1395 O ARG A 471 6.433 -11.445 2.044 1.00 0.00 O ATOM 1396 CB ARG A 471 6.204 -14.414 1.194 1.00 0.00 C ATOM 1397 CG ARG A 471 6.500 -15.692 0.397 1.00 0.00 C ATOM 1398 CD ARG A 471 5.789 -16.921 0.976 1.00 0.00 C ATOM 1399 NE ARG A 471 6.065 -18.112 0.152 1.00 0.00 N ATOM 1400 CZ ARG A 471 5.627 -19.346 0.356 1.00 0.00 C ATOM 1401 NH1 ARG A 471 4.916 -19.679 1.414 1.00 0.00 N ATOM 1402 NH2 ARG A 471 5.909 -20.268 -0.535 1.00 0.00 N ATOM 0 H ARG A 471 8.470 -12.743 0.933 1.00 0.00 H new ATOM 0 HA ARG A 471 5.994 -13.305 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 471 6.809 -14.400 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 471 5.160 -14.412 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.190 -15.551 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.575 -15.869 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 471 6.123 -17.094 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 471 4.715 -16.741 1.018 1.00 0.00 H new ATOM 0 HE ARG A 471 6.659 -17.971 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 471 4.683 -18.975 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 471 4.598 -20.641 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 471 6.454 -20.027 -1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 471 5.583 -21.225 -0.400 1.00 0.00 H new ATOM 1416 N LEU A 472 4.905 -11.307 0.390 1.00 0.00 N ATOM 1417 CA LEU A 472 4.349 -10.007 0.766 1.00 0.00 C ATOM 1418 C LEU A 472 3.574 -10.088 2.081 1.00 0.00 C ATOM 1419 O LEU A 472 2.609 -10.836 2.200 1.00 0.00 O ATOM 1420 CB LEU A 472 3.446 -9.470 -0.359 1.00 0.00 C ATOM 1421 CG LEU A 472 4.159 -9.216 -1.701 1.00 0.00 C ATOM 1422 CD1 LEU A 472 3.141 -8.683 -2.713 1.00 0.00 C ATOM 1423 CD2 LEU A 472 5.326 -8.228 -1.555 1.00 0.00 C ATOM 0 H LEU A 472 4.431 -11.731 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 472 5.180 -9.317 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 472 2.636 -10.180 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 472 2.990 -8.538 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 472 4.579 -10.160 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 472 3.637 -8.500 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.347 -9.417 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 472 2.713 -7.752 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 472 5.800 -8.078 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 472 4.951 -7.274 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 472 6.057 -8.629 -0.853 1.00 0.00 H new ATOM 1435 N LYS A 473 3.971 -9.279 3.057 1.00 0.00 N ATOM 1436 CA LYS A 473 3.209 -9.071 4.287 1.00 0.00 C ATOM 1437 C LYS A 473 2.162 -7.973 4.027 1.00 0.00 C ATOM 1438 O LYS A 473 2.517 -6.896 3.545 1.00 0.00 O ATOM 1439 CB LYS A 473 4.204 -8.738 5.409 1.00 0.00 C ATOM 1440 CG LYS A 473 3.507 -8.523 6.763 1.00 0.00 C ATOM 1441 CD LYS A 473 4.500 -8.439 7.931 1.00 0.00 C ATOM 1442 CE LYS A 473 5.445 -7.235 7.815 1.00 0.00 C ATOM 1443 NZ LYS A 473 6.384 -7.166 8.964 1.00 0.00 N ATOM 0 H LYS A 473 4.838 -8.743 3.018 1.00 0.00 H new ATOM 0 HA LYS A 473 2.659 -9.958 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 473 4.929 -9.547 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.761 -7.840 5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 473 2.920 -7.606 6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 473 2.809 -9.341 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 473 3.948 -8.374 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 473 5.088 -9.356 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 473 6.010 -7.303 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 473 4.861 -6.316 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 7.008 -6.341 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 5.844 -7.076 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 6.958 -8.032 8.996 1.00 0.00 H new ATOM 1457 N VAL A 474 0.884 -8.238 4.302 1.00 0.00 N ATOM 1458 CA VAL A 474 -0.240 -7.337 3.975 1.00 0.00 C ATOM 1459 C VAL A 474 -1.211 -7.266 5.153 1.00 0.00 C ATOM 1460 O VAL A 474 -1.540 -8.286 5.757 1.00 0.00 O ATOM 1461 CB VAL A 474 -0.986 -7.741 2.678 1.00 0.00 C ATOM 1462 CG1 VAL A 474 -1.990 -6.642 2.278 1.00 0.00 C ATOM 1463 CG2 VAL A 474 -0.029 -7.971 1.497 1.00 0.00 C ATOM 0 H VAL A 474 0.588 -9.097 4.766 1.00 0.00 H new ATOM 0 HA VAL A 474 0.186 -6.351 3.789 1.00 0.00 H new ATOM 0 HB VAL A 474 -1.500 -8.677 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -2.508 -6.937 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -2.716 -6.504 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -1.457 -5.707 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -0.602 -8.252 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 474 0.525 -7.055 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 474 0.670 -8.770 1.745 1.00 0.00 H new ATOM 1473 N GLN A 475 -1.644 -6.050 5.481 1.00 0.00 N ATOM 1474 CA GLN A 475 -2.416 -5.721 6.681 1.00 0.00 C ATOM 1475 C GLN A 475 -3.083 -4.342 6.535 1.00 0.00 C ATOM 1476 O GLN A 475 -2.840 -3.628 5.561 1.00 0.00 O ATOM 1477 CB GLN A 475 -1.478 -5.744 7.909 1.00 0.00 C ATOM 1478 CG GLN A 475 -0.286 -4.779 7.763 1.00 0.00 C ATOM 1479 CD GLN A 475 0.392 -4.492 9.100 1.00 0.00 C ATOM 1480 OE1 GLN A 475 1.313 -5.178 9.522 1.00 0.00 O ATOM 1481 NE2 GLN A 475 -0.036 -3.464 9.806 1.00 0.00 N ATOM 0 H GLN A 475 -1.460 -5.234 4.897 1.00 0.00 H new ATOM 0 HA GLN A 475 -3.205 -6.461 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -2.047 -5.481 8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -1.104 -6.757 8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.442 -5.206 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -0.631 -3.843 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.804 -2.890 9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 475 0.401 -3.243 10.701 1.00 0.00 H new ATOM 1490 N LEU A 476 -3.879 -3.938 7.531 1.00 0.00 N ATOM 1491 CA LEU A 476 -4.381 -2.567 7.640 1.00 0.00 C ATOM 1492 C LEU A 476 -3.240 -1.596 7.997 1.00 0.00 C ATOM 1493 O LEU A 476 -2.277 -1.951 8.687 1.00 0.00 O ATOM 1494 CB LEU A 476 -5.513 -2.498 8.687 1.00 0.00 C ATOM 1495 CG LEU A 476 -6.789 -3.300 8.347 1.00 0.00 C ATOM 1496 CD1 LEU A 476 -7.769 -3.215 9.525 1.00 0.00 C ATOM 1497 CD2 LEU A 476 -7.486 -2.784 7.078 1.00 0.00 C ATOM 0 H LEU A 476 -4.192 -4.553 8.282 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.786 -2.265 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -5.124 -2.856 9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.789 -1.453 8.828 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.487 -4.331 8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -8.671 -3.780 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -7.302 -3.632 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -8.031 -2.172 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -8.377 -3.382 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -7.772 -1.742 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.804 -2.862 6.231 1.00 0.00 H new ATOM 1509 N LYS A 477 -3.361 -0.351 7.539 1.00 0.00 N ATOM 1510 CA LYS A 477 -2.422 0.740 7.831 1.00 0.00 C ATOM 1511 C LYS A 477 -2.347 1.088 9.341 1.00 0.00 C ATOM 1512 O LYS A 477 -3.350 1.030 10.059 1.00 0.00 O ATOM 1513 CB LYS A 477 -2.834 1.945 6.961 1.00 0.00 C ATOM 1514 CG LYS A 477 -1.936 3.170 7.179 1.00 0.00 C ATOM 1515 CD LYS A 477 -2.311 4.335 6.260 1.00 0.00 C ATOM 1516 CE LYS A 477 -1.572 5.615 6.678 1.00 0.00 C ATOM 1517 NZ LYS A 477 -0.099 5.493 6.529 1.00 0.00 N ATOM 0 H LYS A 477 -4.133 -0.062 6.939 1.00 0.00 H new ATOM 0 HA LYS A 477 -1.407 0.429 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -2.800 1.657 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -3.867 2.213 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -2.009 3.491 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -0.897 2.892 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -2.062 4.086 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -3.388 4.502 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -1.928 6.450 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -1.811 5.847 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 0.287 6.384 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 0.328 5.291 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 0.120 4.718 5.871 1.00 0.00 H new