USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 438 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 434 CYS SG : rot -69:sc= 1.23 USER MOD Set 1.2: A 436 THR OG1 : rot 172:sc= 0.0953 USER MOD Set 1.3: A 439 CYS SG : rot 30:sc= -4.22! USER MOD Set 1.4: A 463 HIS : no HD1:sc= 0 X(o=-3,f=-3.1) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -0.152 X(o=-3,f=-3.1) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 120:sc= -0.684 USER MOD Single : A 419 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.5!) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.717 K(o=-0.72,f=-4!) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 139:sc= -0.321 (180deg=-1.3!) USER MOD Single : A 435 THR OG1 : rot -68:sc= 0.695 USER MOD Single : A 443 LYS NZ :NH3+ 168:sc= 0.0744 (180deg=0.0432) USER MOD Single : A 444 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.19) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ -163:sc= -0.0124 (180deg=-0.183) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.833 10.114 9.269 1.00 0.00 N ATOM 186 CA TYR A 412 -0.275 10.416 8.370 1.00 0.00 C ATOM 187 C TYR A 412 -1.603 9.970 8.976 1.00 0.00 C ATOM 188 O TYR A 412 -1.632 9.182 9.921 1.00 0.00 O ATOM 189 CB TYR A 412 -0.065 9.730 7.018 1.00 0.00 C ATOM 190 CG TYR A 412 1.157 10.221 6.275 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.344 11.574 6.024 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.123 9.330 5.823 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.458 12.026 5.343 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.240 9.775 5.142 1.00 0.00 C ATOM 195 CZ TYR A 412 3.403 11.123 4.905 1.00 0.00 C ATOM 196 OH TYR A 412 4.514 11.570 4.227 1.00 0.00 O ATOM 0 HA TYR A 412 -0.306 11.495 8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.023 8.655 7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.947 9.891 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.606 12.285 6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.999 8.273 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.588 13.082 5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.982 9.070 4.797 1.00 0.00 H new ATOM 0 HH TYR A 412 5.081 10.807 3.989 1.00 0.00 H new ATOM 206 N ARG A 413 -2.699 10.482 8.427 1.00 0.00 N ATOM 207 CA ARG A 413 -4.030 10.139 8.912 1.00 0.00 C ATOM 208 C ARG A 413 -4.780 9.292 7.890 1.00 0.00 C ATOM 209 O ARG A 413 -5.528 9.815 7.064 1.00 0.00 O ATOM 210 CB ARG A 413 -4.826 11.407 9.223 1.00 0.00 C ATOM 211 CG ARG A 413 -4.272 12.202 10.394 1.00 0.00 C ATOM 212 CD ARG A 413 -5.036 11.911 11.677 1.00 0.00 C ATOM 213 NE ARG A 413 -4.529 12.689 12.805 1.00 0.00 N ATOM 214 CZ ARG A 413 -4.727 13.997 12.951 1.00 0.00 C ATOM 215 NH1 ARG A 413 -5.419 14.676 12.045 1.00 0.00 N ATOM 216 NH2 ARG A 413 -4.233 14.629 14.008 1.00 0.00 N ATOM 0 H ARG A 413 -2.691 11.137 7.645 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.916 9.557 9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.841 12.043 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.859 11.134 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -3.219 11.960 10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.327 13.267 10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.092 12.134 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -4.964 10.848 11.908 1.00 0.00 H new ATOM 0 HE ARG A 413 -3.992 12.201 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.803 14.196 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -5.567 15.678 12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -3.701 14.112 14.709 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -4.385 15.631 14.120 1.00 0.00 H new ATOM 230 N TRP A 414 -4.576 7.980 7.952 1.00 0.00 N ATOM 231 CA TRP A 414 -5.234 7.060 7.030 1.00 0.00 C ATOM 232 C TRP A 414 -6.602 6.646 7.560 1.00 0.00 C ATOM 233 O TRP A 414 -6.948 6.926 8.708 1.00 0.00 O ATOM 234 CB TRP A 414 -4.366 5.821 6.806 1.00 0.00 C ATOM 235 CG TRP A 414 -2.976 6.143 6.346 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.868 6.289 7.129 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.547 6.360 4.997 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.776 6.585 6.348 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.167 6.633 5.036 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.197 6.351 3.759 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.426 6.893 3.886 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.460 6.609 2.619 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.088 6.877 2.689 1.00 0.00 C ATOM 0 H TRP A 414 -3.961 7.530 8.630 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.372 7.575 6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.311 5.252 7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.846 5.179 6.067 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.851 6.187 8.204 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.172 6.743 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.255 6.146 3.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.633 7.100 3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.951 6.604 1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.541 7.075 1.779 1.00 0.00 H new ATOM 254 N ARG A 415 -7.380 5.974 6.717 1.00 0.00 N ATOM 255 CA ARG A 415 -8.711 5.519 7.099 1.00 0.00 C ATOM 256 C ARG A 415 -9.167 4.365 6.212 1.00 0.00 C ATOM 257 O ARG A 415 -9.116 4.455 4.985 1.00 0.00 O ATOM 258 CB ARG A 415 -9.712 6.673 7.014 1.00 0.00 C ATOM 259 CG ARG A 415 -10.693 6.714 8.174 1.00 0.00 C ATOM 260 CD ARG A 415 -12.058 7.216 7.732 1.00 0.00 C ATOM 261 NE ARG A 415 -12.917 7.536 8.870 1.00 0.00 N ATOM 262 CZ ARG A 415 -14.241 7.652 8.790 1.00 0.00 C ATOM 263 NH1 ARG A 415 -14.862 7.475 7.629 1.00 0.00 N ATOM 264 NH2 ARG A 415 -14.947 7.944 9.873 1.00 0.00 N ATOM 0 H ARG A 415 -7.110 5.733 5.763 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.665 5.164 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.165 7.615 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.269 6.592 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -10.792 5.717 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.303 7.362 8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -11.935 8.103 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -12.541 6.458 7.115 1.00 0.00 H new ATOM 0 HE ARG A 415 -12.477 7.679 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -14.324 7.249 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -15.877 7.565 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.476 8.080 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.961 8.033 9.812 1.00 0.00 H new ATOM 278 N LYS A 416 -9.612 3.282 6.840 1.00 0.00 N ATOM 279 CA LYS A 416 -10.076 2.109 6.108 1.00 0.00 C ATOM 280 C LYS A 416 -11.430 2.374 5.456 1.00 0.00 C ATOM 281 O LYS A 416 -12.376 2.799 6.119 1.00 0.00 O ATOM 282 CB LYS A 416 -10.175 0.904 7.043 1.00 0.00 C ATOM 283 CG LYS A 416 -10.164 -0.432 6.316 1.00 0.00 C ATOM 284 CD LYS A 416 -9.811 -1.577 7.256 1.00 0.00 C ATOM 285 CE LYS A 416 -11.014 -2.462 7.536 1.00 0.00 C ATOM 286 NZ LYS A 416 -11.658 -2.129 8.836 1.00 0.00 N ATOM 0 H LYS A 416 -9.661 3.192 7.855 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.351 1.892 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.344 0.932 7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.091 0.983 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.143 -0.613 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.444 -0.396 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.013 -2.176 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -9.429 -1.174 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.741 -2.351 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.703 -3.507 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -12.474 -2.755 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -10.972 -2.259 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -11.978 -1.140 8.821 1.00 0.00 H new ATOM 300 N TYR A 417 -11.513 2.121 4.155 1.00 0.00 N ATOM 301 CA TYR A 417 -12.750 2.331 3.413 1.00 0.00 C ATOM 302 C TYR A 417 -13.357 0.999 2.979 1.00 0.00 C ATOM 303 O TYR A 417 -14.578 0.856 2.904 1.00 0.00 O ATOM 304 CB TYR A 417 -12.493 3.210 2.188 1.00 0.00 C ATOM 305 CG TYR A 417 -11.570 2.577 1.170 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.192 2.709 1.277 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.078 1.849 0.102 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.345 2.133 0.349 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.238 1.270 -0.831 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.874 1.414 -0.703 1.00 0.00 C ATOM 311 OH TYR A 417 -9.035 0.839 -1.629 1.00 0.00 O ATOM 0 H TYR A 417 -10.738 1.770 3.592 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.457 2.836 4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.445 3.439 1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.064 4.157 2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.775 3.271 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.147 1.733 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.275 2.245 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.649 0.708 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.171 -0.132 -1.635 1.00 0.00 H new ATOM 321 N GLY A 418 -12.495 0.029 2.695 1.00 0.00 N ATOM 322 CA GLY A 418 -12.963 -1.278 2.273 1.00 0.00 C ATOM 323 C GLY A 418 -11.938 -2.368 2.524 1.00 0.00 C ATOM 324 O GLY A 418 -10.754 -2.086 2.708 1.00 0.00 O ATOM 0 H GLY A 418 -11.481 0.124 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.884 -1.520 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.205 -1.249 1.211 1.00 0.00 H new ATOM 328 N GLN A 419 -12.394 -3.617 2.530 1.00 0.00 N ATOM 329 CA GLN A 419 -11.507 -4.752 2.761 1.00 0.00 C ATOM 330 C GLN A 419 -11.999 -5.987 2.013 1.00 0.00 C ATOM 331 O GLN A 419 -13.203 -6.204 1.877 1.00 0.00 O ATOM 332 CB GLN A 419 -11.408 -5.052 4.257 1.00 0.00 C ATOM 333 CG GLN A 419 -12.760 -5.199 4.939 1.00 0.00 C ATOM 334 CD GLN A 419 -13.035 -6.620 5.390 1.00 0.00 C ATOM 335 OE1 GLN A 419 -12.436 -7.571 4.888 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.945 -6.771 6.345 1.00 0.00 N ATOM 0 H GLN A 419 -13.371 -3.868 2.378 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.518 -4.492 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.837 -5.970 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.850 -4.252 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -12.802 -4.534 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.545 -4.881 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -14.417 -5.954 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -14.172 -7.703 6.691 1.00 0.00 H new ATOM 345 N LYS A 420 -11.059 -6.794 1.531 1.00 0.00 N ATOM 346 CA LYS A 420 -11.396 -8.009 0.798 1.00 0.00 C ATOM 347 C LYS A 420 -10.769 -9.233 1.457 1.00 0.00 C ATOM 348 O LYS A 420 -9.995 -9.111 2.407 1.00 0.00 O ATOM 349 CB LYS A 420 -10.926 -7.900 -0.654 1.00 0.00 C ATOM 350 CG LYS A 420 -11.964 -7.293 -1.585 1.00 0.00 C ATOM 351 CD LYS A 420 -12.773 -8.368 -2.293 1.00 0.00 C ATOM 352 CE LYS A 420 -11.913 -9.163 -3.264 1.00 0.00 C ATOM 353 NZ LYS A 420 -12.738 -9.961 -4.211 1.00 0.00 N ATOM 0 H LYS A 420 -10.058 -6.628 1.635 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.480 -8.125 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -10.020 -7.295 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -10.661 -8.893 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.633 -6.649 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -11.468 -6.663 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -13.209 -9.042 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -13.601 -7.907 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -11.274 -8.481 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.256 -9.829 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -12.115 -10.488 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -13.330 -10.630 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -13.347 -9.324 -4.763 1.00 0.00 H new ATOM 367 N VAL A 421 -11.106 -10.412 0.946 1.00 0.00 N ATOM 368 CA VAL A 421 -10.576 -11.659 1.484 1.00 0.00 C ATOM 369 C VAL A 421 -9.881 -12.474 0.398 1.00 0.00 C ATOM 370 O VAL A 421 -10.254 -12.409 -0.773 1.00 0.00 O ATOM 371 CB VAL A 421 -11.688 -12.510 2.128 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.747 -12.879 1.098 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.102 -13.759 2.772 1.00 0.00 C ATOM 0 H VAL A 421 -11.744 -10.530 0.159 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.849 -11.392 2.251 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.165 -11.917 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.523 -13.480 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.190 -11.970 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.287 -13.451 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.903 -14.347 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.595 -14.356 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.388 -13.470 3.543 1.00 0.00 H new ATOM 383 N VAL A 422 -8.873 -13.244 0.795 1.00 0.00 N ATOM 384 CA VAL A 422 -8.129 -14.072 -0.144 1.00 0.00 C ATOM 385 C VAL A 422 -8.488 -15.545 0.019 1.00 0.00 C ATOM 386 O VAL A 422 -8.927 -15.971 1.087 1.00 0.00 O ATOM 387 CB VAL A 422 -6.608 -13.903 0.037 1.00 0.00 C ATOM 388 CG1 VAL A 422 -5.851 -14.652 -1.049 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.229 -12.429 0.039 1.00 0.00 C ATOM 0 H VAL A 422 -8.553 -13.311 1.761 1.00 0.00 H new ATOM 0 HA VAL A 422 -8.406 -13.741 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.329 -14.328 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -4.779 -14.520 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.096 -15.713 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.135 -14.261 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.151 -12.331 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -6.524 -11.976 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -6.740 -11.923 0.858 1.00 0.00 H new ATOM 399 N LYS A 423 -8.301 -16.317 -1.046 1.00 0.00 N ATOM 400 CA LYS A 423 -8.607 -17.743 -1.020 1.00 0.00 C ATOM 401 C LYS A 423 -7.384 -18.554 -0.606 1.00 0.00 C ATOM 402 O LYS A 423 -6.399 -18.632 -1.342 1.00 0.00 O ATOM 403 CB LYS A 423 -9.099 -18.204 -2.392 1.00 0.00 C ATOM 404 CG LYS A 423 -10.309 -17.434 -2.895 1.00 0.00 C ATOM 405 CD LYS A 423 -10.287 -17.290 -4.409 1.00 0.00 C ATOM 406 CE LYS A 423 -11.679 -17.442 -5.003 1.00 0.00 C ATOM 407 NZ LYS A 423 -11.779 -16.813 -6.350 1.00 0.00 N ATOM 0 H LYS A 423 -7.939 -15.980 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.395 -17.908 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -8.288 -18.101 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.348 -19.264 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -11.221 -17.947 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -10.330 -16.446 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -9.880 -16.315 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -9.623 -18.041 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -11.929 -18.500 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -12.411 -16.988 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -12.743 -16.938 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -11.566 -15.798 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -11.099 -17.264 -6.995 1.00 0.00 H new ATOM 421 N GLY A 424 -7.454 -19.161 0.575 1.00 0.00 N ATOM 422 CA GLY A 424 -6.346 -19.960 1.064 1.00 0.00 C ATOM 423 C GLY A 424 -5.474 -19.206 2.048 1.00 0.00 C ATOM 424 O GLY A 424 -5.150 -19.716 3.120 1.00 0.00 O ATOM 0 H GLY A 424 -8.258 -19.114 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.734 -20.859 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -5.738 -20.286 0.220 1.00 0.00 H new ATOM 428 N ASN A 425 -5.091 -17.987 1.682 1.00 0.00 N ATOM 429 CA ASN A 425 -4.249 -17.160 2.540 1.00 0.00 C ATOM 430 C ASN A 425 -4.997 -16.753 3.809 1.00 0.00 C ATOM 431 O ASN A 425 -6.127 -16.266 3.739 1.00 0.00 O ATOM 432 CB ASN A 425 -3.784 -15.914 1.785 1.00 0.00 C ATOM 433 CG ASN A 425 -3.067 -16.253 0.494 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.091 -17.398 0.039 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.422 -15.259 -0.105 1.00 0.00 N ATOM 0 H ASN A 425 -5.350 -17.550 0.798 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.377 -17.748 2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.646 -15.284 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.120 -15.332 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.920 -15.429 -0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.428 -14.326 0.307 1.00 0.00 H new ATOM 442 N PRO A 426 -4.381 -16.947 4.989 1.00 0.00 N ATOM 443 CA PRO A 426 -5.000 -16.596 6.268 1.00 0.00 C ATOM 444 C PRO A 426 -4.928 -15.100 6.570 1.00 0.00 C ATOM 445 O PRO A 426 -5.414 -14.644 7.606 1.00 0.00 O ATOM 446 CB PRO A 426 -4.167 -17.383 7.278 1.00 0.00 C ATOM 447 CG PRO A 426 -2.814 -17.464 6.660 1.00 0.00 C ATOM 448 CD PRO A 426 -3.033 -17.524 5.169 1.00 0.00 C ATOM 0 HA PRO A 426 -6.064 -16.831 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.133 -16.879 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.585 -18.375 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.211 -16.597 6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.279 -18.347 7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.278 -16.952 4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.983 -18.548 4.798 1.00 0.00 H new ATOM 456 N TYR A 427 -4.319 -14.339 5.664 1.00 0.00 N ATOM 457 CA TYR A 427 -4.189 -12.897 5.843 1.00 0.00 C ATOM 458 C TYR A 427 -5.046 -12.140 4.830 1.00 0.00 C ATOM 459 O TYR A 427 -4.614 -11.886 3.707 1.00 0.00 O ATOM 460 CB TYR A 427 -2.724 -12.478 5.699 1.00 0.00 C ATOM 461 CG TYR A 427 -1.814 -13.084 6.744 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.126 -13.002 8.096 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.647 -13.740 6.378 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.296 -13.556 9.052 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.188 -14.297 7.329 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.143 -14.201 8.664 1.00 0.00 C ATOM 467 OH TYR A 427 0.686 -14.754 9.615 1.00 0.00 O ATOM 0 H TYR A 427 -3.909 -14.696 4.801 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.539 -12.648 6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.369 -12.765 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.658 -11.392 5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.030 -12.498 8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.387 -13.817 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.551 -13.483 10.099 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.093 -14.804 7.028 1.00 0.00 H new ATOM 0 HH TYR A 427 1.455 -15.172 9.175 1.00 0.00 H new ATOM 477 N PRO A 428 -6.281 -11.769 5.216 1.00 0.00 N ATOM 478 CA PRO A 428 -7.197 -11.037 4.334 1.00 0.00 C ATOM 479 C PRO A 428 -6.551 -9.794 3.732 1.00 0.00 C ATOM 480 O PRO A 428 -5.368 -9.530 3.949 1.00 0.00 O ATOM 481 CB PRO A 428 -8.350 -10.645 5.261 1.00 0.00 C ATOM 482 CG PRO A 428 -8.326 -11.664 6.346 1.00 0.00 C ATOM 483 CD PRO A 428 -6.880 -12.030 6.538 1.00 0.00 C ATOM 0 HA PRO A 428 -7.507 -11.639 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.214 -9.639 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.303 -10.652 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.753 -11.265 7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.917 -12.538 6.073 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.413 -11.427 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.766 -13.073 6.832 1.00 0.00 H new ATOM 491 N ARG A 429 -7.334 -9.034 2.975 1.00 0.00 N ATOM 492 CA ARG A 429 -6.838 -7.817 2.341 1.00 0.00 C ATOM 493 C ARG A 429 -7.371 -6.577 3.049 1.00 0.00 C ATOM 494 O ARG A 429 -8.500 -6.566 3.540 1.00 0.00 O ATOM 495 CB ARG A 429 -7.236 -7.787 0.865 1.00 0.00 C ATOM 496 CG ARG A 429 -6.215 -8.435 -0.055 1.00 0.00 C ATOM 497 CD ARG A 429 -6.875 -9.032 -1.288 1.00 0.00 C ATOM 498 NE ARG A 429 -5.923 -9.222 -2.381 1.00 0.00 N ATOM 499 CZ ARG A 429 -6.277 -9.389 -3.653 1.00 0.00 C ATOM 500 NH1 ARG A 429 -7.560 -9.389 -3.997 1.00 0.00 N ATOM 501 NH2 ARG A 429 -5.348 -9.556 -4.584 1.00 0.00 N ATOM 0 H ARG A 429 -8.315 -9.239 2.785 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.751 -7.816 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -8.193 -8.294 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -7.383 -6.751 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -5.476 -7.694 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.680 -9.215 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -7.326 -9.990 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -7.682 -8.379 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.928 -9.227 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -8.279 -9.261 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -7.826 -9.517 -4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -4.361 -9.557 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -5.620 -9.684 -5.559 1.00 0.00 H new ATOM 515 N SER A 430 -6.552 -5.531 3.096 1.00 0.00 N ATOM 516 CA SER A 430 -6.941 -4.282 3.742 1.00 0.00 C ATOM 517 C SER A 430 -6.653 -3.090 2.835 1.00 0.00 C ATOM 518 O SER A 430 -5.645 -3.066 2.127 1.00 0.00 O ATOM 519 CB SER A 430 -6.200 -4.117 5.070 1.00 0.00 C ATOM 520 OG SER A 430 -6.076 -5.359 5.742 1.00 0.00 O ATOM 0 H SER A 430 -5.614 -5.523 2.694 1.00 0.00 H new ATOM 0 HA SER A 430 -8.013 -4.320 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.210 -3.698 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.735 -3.409 5.703 1.00 0.00 H new ATOM 0 HG SER A 430 -5.597 -5.227 6.587 1.00 0.00 H new ATOM 526 N TYR A 431 -7.542 -2.103 2.859 1.00 0.00 N ATOM 527 CA TYR A 431 -7.382 -0.912 2.036 1.00 0.00 C ATOM 528 C TYR A 431 -7.587 0.355 2.861 1.00 0.00 C ATOM 529 O TYR A 431 -8.623 0.530 3.503 1.00 0.00 O ATOM 530 CB TYR A 431 -8.367 -0.938 0.867 1.00 0.00 C ATOM 531 CG TYR A 431 -8.357 -2.238 0.094 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.194 -2.702 -0.505 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.511 -3.001 -0.034 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.180 -3.891 -1.211 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.506 -4.190 -0.739 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.338 -4.630 -1.326 1.00 0.00 C ATOM 537 OH TYR A 431 -8.329 -5.812 -2.028 1.00 0.00 O ATOM 0 H TYR A 431 -8.381 -2.105 3.440 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.364 -0.907 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.373 -0.759 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.132 -0.119 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.285 -2.125 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.427 -2.660 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.266 -4.239 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.412 -4.771 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.441 -6.222 -1.967 1.00 0.00 H new ATOM 547 N TYR A 432 -6.594 1.238 2.836 1.00 0.00 N ATOM 548 CA TYR A 432 -6.663 2.491 3.578 1.00 0.00 C ATOM 549 C TYR A 432 -6.446 3.682 2.649 1.00 0.00 C ATOM 550 O TYR A 432 -5.951 3.526 1.533 1.00 0.00 O ATOM 551 CB TYR A 432 -5.621 2.504 4.697 1.00 0.00 C ATOM 552 CG TYR A 432 -5.802 1.390 5.705 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.424 0.088 5.404 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.353 1.642 6.955 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.589 -0.932 6.322 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.521 0.628 7.879 1.00 0.00 C ATOM 557 CZ TYR A 432 -6.137 -0.657 7.557 1.00 0.00 C ATOM 558 OH TYR A 432 -6.303 -1.670 8.473 1.00 0.00 O ATOM 0 H TYR A 432 -5.731 1.108 2.309 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.657 2.571 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.627 2.427 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.667 3.462 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.994 -0.131 4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.655 2.647 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -5.290 -1.940 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.950 0.840 8.847 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.701 -1.308 9.292 1.00 0.00 H new ATOM 568 N LYS A 433 -6.820 4.869 3.115 1.00 0.00 N ATOM 569 CA LYS A 433 -6.665 6.080 2.318 1.00 0.00 C ATOM 570 C LYS A 433 -6.412 7.295 3.206 1.00 0.00 C ATOM 571 O LYS A 433 -7.116 7.516 4.190 1.00 0.00 O ATOM 572 CB LYS A 433 -7.911 6.313 1.462 1.00 0.00 C ATOM 573 CG LYS A 433 -9.207 6.290 2.254 1.00 0.00 C ATOM 574 CD LYS A 433 -10.329 6.992 1.505 1.00 0.00 C ATOM 575 CE LYS A 433 -10.368 8.477 1.825 1.00 0.00 C ATOM 576 NZ LYS A 433 -9.407 9.251 0.989 1.00 0.00 N ATOM 0 H LYS A 433 -7.231 5.018 4.037 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.801 5.945 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.820 7.275 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.956 5.549 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.493 5.258 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -9.054 6.773 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.194 6.853 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.284 6.537 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.377 8.857 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -10.135 8.627 2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -9.851 10.140 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -8.555 9.463 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -9.144 8.690 0.154 1.00 0.00 H new ATOM 590 N CYS A 434 -5.402 8.081 2.846 1.00 0.00 N ATOM 591 CA CYS A 434 -5.055 9.277 3.603 1.00 0.00 C ATOM 592 C CYS A 434 -6.123 10.352 3.426 1.00 0.00 C ATOM 593 O CYS A 434 -6.144 11.060 2.418 1.00 0.00 O ATOM 594 CB CYS A 434 -3.693 9.810 3.154 1.00 0.00 C ATOM 595 SG CYS A 434 -3.012 11.099 4.222 1.00 0.00 S ATOM 0 H CYS A 434 -4.809 7.910 2.034 1.00 0.00 H new ATOM 0 HA CYS A 434 -5.001 9.013 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.987 8.980 3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.785 10.204 2.142 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.723 12.181 4.104 1.00 0.00 H new ATOM 600 N THR A 435 -7.010 10.466 4.410 1.00 0.00 N ATOM 601 CA THR A 435 -8.086 11.450 4.360 1.00 0.00 C ATOM 602 C THR A 435 -7.706 12.731 5.098 1.00 0.00 C ATOM 603 O THR A 435 -8.259 13.041 6.154 1.00 0.00 O ATOM 604 CB THR A 435 -9.387 10.888 4.965 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.362 11.931 5.090 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.125 10.267 6.329 1.00 0.00 C ATOM 0 H THR A 435 -7.005 9.889 5.251 1.00 0.00 H new ATOM 0 HA THR A 435 -8.250 11.681 3.308 1.00 0.00 H new ATOM 0 HB THR A 435 -9.767 10.115 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.068 12.574 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.058 9.877 6.736 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.406 9.454 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.723 11.024 7.002 1.00 0.00 H new ATOM 614 N THR A 436 -6.763 13.472 4.531 1.00 0.00 N ATOM 615 CA THR A 436 -6.310 14.725 5.128 1.00 0.00 C ATOM 616 C THR A 436 -6.965 15.920 4.438 1.00 0.00 C ATOM 617 O THR A 436 -7.314 15.851 3.260 1.00 0.00 O ATOM 618 CB THR A 436 -4.774 14.865 5.042 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.219 13.738 4.354 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.153 14.968 6.427 1.00 0.00 C ATOM 0 H THR A 436 -6.296 13.228 3.658 1.00 0.00 H new ATOM 0 HA THR A 436 -6.602 14.708 6.178 1.00 0.00 H new ATOM 0 HB THR A 436 -4.550 15.780 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.265 13.892 4.189 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.071 15.066 6.334 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.553 15.842 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.389 14.071 6.999 1.00 0.00 H new ATOM 628 N PRO A 437 -7.144 17.039 5.164 1.00 0.00 N ATOM 629 CA PRO A 437 -7.758 18.248 4.609 1.00 0.00 C ATOM 630 C PRO A 437 -7.073 18.702 3.324 1.00 0.00 C ATOM 631 O PRO A 437 -6.110 19.467 3.358 1.00 0.00 O ATOM 632 CB PRO A 437 -7.580 19.299 5.715 1.00 0.00 C ATOM 633 CG PRO A 437 -6.599 18.709 6.675 1.00 0.00 C ATOM 634 CD PRO A 437 -6.759 17.222 6.569 1.00 0.00 C ATOM 0 HA PRO A 437 -8.800 18.082 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.211 20.240 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.528 19.515 6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -5.581 19.010 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -6.794 19.051 7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.834 16.697 6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.523 16.847 7.250 1.00 0.00 H new ATOM 642 N GLY A 438 -7.579 18.223 2.192 1.00 0.00 N ATOM 643 CA GLY A 438 -7.002 18.584 0.910 1.00 0.00 C ATOM 644 C GLY A 438 -6.297 17.418 0.246 1.00 0.00 C ATOM 645 O GLY A 438 -6.170 17.375 -0.979 1.00 0.00 O ATOM 0 H GLY A 438 -8.378 17.591 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.788 18.953 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.294 19.401 1.050 1.00 0.00 H new ATOM 649 N CYS A 439 -5.833 16.471 1.055 1.00 0.00 N ATOM 650 CA CYS A 439 -5.134 15.299 0.543 1.00 0.00 C ATOM 651 C CYS A 439 -6.077 14.101 0.451 1.00 0.00 C ATOM 652 O CYS A 439 -6.780 13.776 1.408 1.00 0.00 O ATOM 653 CB CYS A 439 -3.943 14.960 1.443 1.00 0.00 C ATOM 654 SG CYS A 439 -3.023 13.487 0.937 1.00 0.00 S ATOM 0 H CYS A 439 -5.929 16.493 2.070 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.771 15.529 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.262 15.811 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.302 14.818 2.462 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.103 13.348 -0.353 1.00 0.00 H new ATOM 659 N GLY A 440 -6.086 13.450 -0.708 1.00 0.00 N ATOM 660 CA GLY A 440 -6.945 12.297 -0.907 1.00 0.00 C ATOM 661 C GLY A 440 -6.196 11.114 -1.493 1.00 0.00 C ATOM 662 O GLY A 440 -6.474 10.692 -2.614 1.00 0.00 O ATOM 0 H GLY A 440 -5.513 13.701 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.388 12.008 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.766 12.569 -1.570 1.00 0.00 H new ATOM 666 N VAL A 441 -5.242 10.583 -0.735 1.00 0.00 N ATOM 667 CA VAL A 441 -4.450 9.446 -1.191 1.00 0.00 C ATOM 668 C VAL A 441 -5.114 8.125 -0.817 1.00 0.00 C ATOM 669 O VAL A 441 -5.910 8.061 0.120 1.00 0.00 O ATOM 670 CB VAL A 441 -3.026 9.479 -0.600 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.172 8.371 -1.198 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.384 10.839 -0.827 1.00 0.00 C ATOM 0 H VAL A 441 -4.999 10.921 0.196 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.387 9.521 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.096 9.311 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.171 8.411 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.623 7.404 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.109 8.503 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.380 10.843 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.327 11.040 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.984 11.610 -0.344 1.00 0.00 H new ATOM 682 N ARG A 442 -4.781 7.071 -1.557 1.00 0.00 N ATOM 683 CA ARG A 442 -5.342 5.749 -1.306 1.00 0.00 C ATOM 684 C ARG A 442 -4.280 4.668 -1.475 1.00 0.00 C ATOM 685 O ARG A 442 -3.648 4.562 -2.526 1.00 0.00 O ATOM 686 CB ARG A 442 -6.514 5.482 -2.252 1.00 0.00 C ATOM 687 CG ARG A 442 -7.656 6.476 -2.102 1.00 0.00 C ATOM 688 CD ARG A 442 -9.012 5.787 -2.158 1.00 0.00 C ATOM 689 NE ARG A 442 -9.770 6.164 -3.349 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.559 5.645 -4.556 1.00 0.00 C ATOM 691 NH1 ARG A 442 -8.615 4.730 -4.737 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.293 6.043 -5.585 1.00 0.00 N ATOM 0 H ARG A 442 -4.124 7.108 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.702 5.722 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.153 5.508 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.893 4.476 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.556 7.006 -1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.594 7.223 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.870 4.706 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.586 6.043 -1.267 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.503 6.866 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -8.047 4.421 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -8.458 4.336 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.019 6.747 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.132 5.646 -6.510 1.00 0.00 H new ATOM 706 N LYS A 443 -4.086 3.866 -0.432 1.00 0.00 N ATOM 707 CA LYS A 443 -3.098 2.793 -0.465 1.00 0.00 C ATOM 708 C LYS A 443 -3.762 1.434 -0.263 1.00 0.00 C ATOM 709 O LYS A 443 -4.831 1.337 0.341 1.00 0.00 O ATOM 710 CB LYS A 443 -2.032 3.020 0.609 1.00 0.00 C ATOM 711 CG LYS A 443 -2.564 2.917 2.029 1.00 0.00 C ATOM 712 CD LYS A 443 -1.504 3.301 3.050 1.00 0.00 C ATOM 713 CE LYS A 443 -1.702 2.561 4.363 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.770 3.044 5.420 1.00 0.00 N ATOM 0 H LYS A 443 -4.600 3.939 0.446 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.622 2.801 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.233 2.290 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.590 4.006 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.432 3.567 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.902 1.898 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.515 3.078 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.541 4.376 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.731 2.689 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -1.549 1.493 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.066 2.667 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.195 2.719 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.787 4.083 5.449 1.00 0.00 H new ATOM 728 N HIS A 444 -3.121 0.387 -0.773 1.00 0.00 N ATOM 729 CA HIS A 444 -3.647 -0.968 -0.648 1.00 0.00 C ATOM 730 C HIS A 444 -2.679 -1.857 0.125 1.00 0.00 C ATOM 731 O HIS A 444 -1.575 -2.142 -0.340 1.00 0.00 O ATOM 732 CB HIS A 444 -3.911 -1.564 -2.032 1.00 0.00 C ATOM 733 CG HIS A 444 -4.723 -0.675 -2.921 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.227 -0.108 -4.076 1.00 0.00 N ATOM 735 CD2 HIS A 444 -6.008 -0.254 -2.820 1.00 0.00 C ATOM 736 CE1 HIS A 444 -5.169 0.623 -4.646 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.258 0.551 -3.904 1.00 0.00 N ATOM 0 H HIS A 444 -2.236 0.451 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.586 -0.918 -0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.957 -1.775 -2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.427 -2.517 -1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.705 -0.505 -2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -5.065 1.184 -5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -7.143 1.018 -4.104 1.00 0.00 H new ATOM 746 N VAL A 445 -3.101 -2.295 1.308 1.00 0.00 N ATOM 747 CA VAL A 445 -2.270 -3.150 2.145 1.00 0.00 C ATOM 748 C VAL A 445 -2.492 -4.624 1.815 1.00 0.00 C ATOM 749 O VAL A 445 -3.627 -5.098 1.784 1.00 0.00 O ATOM 750 CB VAL A 445 -2.559 -2.923 3.643 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.579 -3.709 4.503 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.503 -1.440 3.980 1.00 0.00 C ATOM 0 H VAL A 445 -4.013 -2.071 1.707 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.233 -2.884 1.938 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.565 -3.284 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.799 -3.536 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.673 -4.772 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.562 -3.382 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.709 -1.300 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.511 -1.052 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -3.248 -0.905 3.392 1.00 0.00 H new ATOM 762 N GLU A 446 -1.400 -5.340 1.568 1.00 0.00 N ATOM 763 CA GLU A 446 -1.476 -6.759 1.241 1.00 0.00 C ATOM 764 C GLU A 446 -0.308 -7.523 1.854 1.00 0.00 C ATOM 765 O GLU A 446 0.799 -6.995 1.969 1.00 0.00 O ATOM 766 CB GLU A 446 -1.486 -6.954 -0.277 1.00 0.00 C ATOM 767 CG GLU A 446 -2.791 -6.535 -0.935 1.00 0.00 C ATOM 768 CD GLU A 446 -2.733 -6.622 -2.449 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.760 -7.751 -2.981 1.00 0.00 O ATOM 770 OE2 GLU A 446 -2.662 -5.559 -3.102 1.00 0.00 O ATOM 0 H GLU A 446 -0.453 -4.961 1.588 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.403 -7.152 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.668 -6.381 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.296 -8.004 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.599 -7.169 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.030 -5.513 -0.642 1.00 0.00 H new ATOM 777 N ARG A 447 -0.561 -8.767 2.248 1.00 0.00 N ATOM 778 CA ARG A 447 0.469 -9.604 2.851 1.00 0.00 C ATOM 779 C ARG A 447 0.677 -10.879 2.039 1.00 0.00 C ATOM 780 O ARG A 447 -0.270 -11.623 1.779 1.00 0.00 O ATOM 781 CB ARG A 447 0.089 -9.955 4.292 1.00 0.00 C ATOM 782 CG ARG A 447 1.008 -9.334 5.331 1.00 0.00 C ATOM 783 CD ARG A 447 0.617 -9.750 6.740 1.00 0.00 C ATOM 784 NE ARG A 447 -0.642 -9.139 7.162 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.783 -7.842 7.429 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.252 -7.018 7.319 1.00 0.00 N ATOM 787 NH2 ARG A 447 -1.962 -7.368 7.809 1.00 0.00 N ATOM 0 H ARG A 447 -1.472 -9.218 2.160 1.00 0.00 H new ATOM 0 HA ARG A 447 1.404 -9.044 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.933 -9.626 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.102 -11.039 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 447 2.037 -9.634 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 447 0.972 -8.248 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.526 -10.835 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 447 1.408 -9.467 7.434 1.00 0.00 H new ATOM 0 HE ARG A 447 -1.460 -9.741 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 447 1.161 -7.377 7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.138 -6.026 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -2.760 -7.997 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -2.070 -6.375 8.014 1.00 0.00 H new ATOM 801 N ALA A 448 1.920 -11.126 1.642 1.00 0.00 N ATOM 802 CA ALA A 448 2.252 -12.311 0.861 1.00 0.00 C ATOM 803 C ALA A 448 2.352 -13.545 1.753 1.00 0.00 C ATOM 804 O ALA A 448 3.218 -13.625 2.624 1.00 0.00 O ATOM 805 CB ALA A 448 3.554 -12.097 0.105 1.00 0.00 C ATOM 0 H ALA A 448 2.715 -10.521 1.848 1.00 0.00 H new ATOM 0 HA ALA A 448 1.451 -12.478 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.790 -12.990 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.448 -11.246 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.359 -11.902 0.814 1.00 0.00 H new ATOM 811 N ALA A 449 1.459 -14.504 1.528 1.00 0.00 N ATOM 812 CA ALA A 449 1.444 -15.735 2.310 1.00 0.00 C ATOM 813 C ALA A 449 2.417 -16.761 1.741 1.00 0.00 C ATOM 814 O ALA A 449 3.198 -17.365 2.476 1.00 0.00 O ATOM 815 CB ALA A 449 0.036 -16.310 2.362 1.00 0.00 C ATOM 0 H ALA A 449 0.736 -14.452 0.810 1.00 0.00 H new ATOM 0 HA ALA A 449 1.764 -15.495 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.040 -17.229 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.636 -15.587 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.306 -16.527 1.350 1.00 0.00 H new ATOM 821 N THR A 450 2.365 -16.954 0.426 1.00 0.00 N ATOM 822 CA THR A 450 3.245 -17.908 -0.243 1.00 0.00 C ATOM 823 C THR A 450 4.709 -17.607 0.058 1.00 0.00 C ATOM 824 O THR A 450 5.526 -18.518 0.191 1.00 0.00 O ATOM 825 CB THR A 450 3.032 -17.894 -1.768 1.00 0.00 C ATOM 826 OG1 THR A 450 2.978 -16.544 -2.244 1.00 0.00 O ATOM 827 CG2 THR A 450 1.748 -18.620 -2.141 1.00 0.00 C ATOM 0 H THR A 450 1.724 -16.463 -0.197 1.00 0.00 H new ATOM 0 HA THR A 450 2.993 -18.896 0.142 1.00 0.00 H new ATOM 0 HB THR A 450 3.872 -18.409 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.844 -16.545 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.618 -18.597 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 450 1.804 -19.655 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 450 0.900 -18.128 -1.664 1.00 0.00 H new ATOM 835 N ASP A 451 5.032 -16.323 0.166 1.00 0.00 N ATOM 836 CA ASP A 451 6.396 -15.896 0.456 1.00 0.00 C ATOM 837 C ASP A 451 6.692 -16.022 1.949 1.00 0.00 C ATOM 838 O ASP A 451 5.776 -16.048 2.770 1.00 0.00 O ATOM 839 CB ASP A 451 6.603 -14.451 -0.004 1.00 0.00 C ATOM 840 CG ASP A 451 7.645 -14.337 -1.101 1.00 0.00 C ATOM 841 OD1 ASP A 451 7.577 -15.122 -2.069 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.528 -13.461 -0.992 1.00 0.00 O ATOM 0 H ASP A 451 4.366 -15.558 0.057 1.00 0.00 H new ATOM 0 HA ASP A 451 7.085 -16.543 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 451 5.656 -14.048 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 451 6.907 -13.842 0.847 1.00 0.00 H new ATOM 847 N PRO A 452 7.982 -16.101 2.323 1.00 0.00 N ATOM 848 CA PRO A 452 8.390 -16.223 3.728 1.00 0.00 C ATOM 849 C PRO A 452 8.078 -14.963 4.530 1.00 0.00 C ATOM 850 O PRO A 452 8.982 -14.265 4.991 1.00 0.00 O ATOM 851 CB PRO A 452 9.902 -16.443 3.644 1.00 0.00 C ATOM 852 CG PRO A 452 10.299 -15.840 2.342 1.00 0.00 C ATOM 853 CD PRO A 452 9.143 -16.076 1.413 1.00 0.00 C ATOM 0 HA PRO A 452 7.859 -17.026 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.419 -15.965 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.151 -17.504 3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.503 -14.775 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.209 -16.301 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.055 -15.284 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 452 9.249 -17.014 0.868 1.00 0.00 H new ATOM 861 N LYS A 453 6.790 -14.676 4.689 1.00 0.00 N ATOM 862 CA LYS A 453 6.350 -13.501 5.432 1.00 0.00 C ATOM 863 C LYS A 453 6.768 -12.219 4.716 1.00 0.00 C ATOM 864 O LYS A 453 7.798 -11.625 5.034 1.00 0.00 O ATOM 865 CB LYS A 453 6.921 -13.522 6.853 1.00 0.00 C ATOM 866 CG LYS A 453 5.867 -13.339 7.932 1.00 0.00 C ATOM 867 CD LYS A 453 6.400 -13.728 9.303 1.00 0.00 C ATOM 868 CE LYS A 453 5.488 -13.234 10.414 1.00 0.00 C ATOM 869 NZ LYS A 453 5.541 -11.754 10.561 1.00 0.00 N ATOM 0 H LYS A 453 6.031 -15.243 4.312 1.00 0.00 H new ATOM 0 HA LYS A 453 5.262 -13.524 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.435 -14.469 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.668 -12.733 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.539 -12.300 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.993 -13.945 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.495 -14.812 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.398 -13.312 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 453 4.463 -13.541 10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.776 -13.703 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 5.148 -11.483 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.528 -11.434 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 4.983 -11.310 9.804 1.00 0.00 H new ATOM 883 N ALA A 454 5.963 -11.803 3.743 1.00 0.00 N ATOM 884 CA ALA A 454 6.250 -10.594 2.981 1.00 0.00 C ATOM 885 C ALA A 454 5.094 -9.602 3.067 1.00 0.00 C ATOM 886 O ALA A 454 3.946 -9.989 3.286 1.00 0.00 O ATOM 887 CB ALA A 454 6.542 -10.944 1.528 1.00 0.00 C ATOM 0 H ALA A 454 5.108 -12.285 3.464 1.00 0.00 H new ATOM 0 HA ALA A 454 7.131 -10.121 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 454 6.755 -10.032 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 454 7.405 -11.608 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 454 5.676 -11.442 1.093 1.00 0.00 H new ATOM 893 N VAL A 455 5.405 -8.322 2.893 1.00 0.00 N ATOM 894 CA VAL A 455 4.393 -7.274 2.951 1.00 0.00 C ATOM 895 C VAL A 455 4.405 -6.430 1.681 1.00 0.00 C ATOM 896 O VAL A 455 5.364 -5.704 1.416 1.00 0.00 O ATOM 897 CB VAL A 455 4.604 -6.354 4.167 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.452 -5.370 4.302 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.762 -7.175 5.439 1.00 0.00 C ATOM 0 H VAL A 455 6.350 -7.985 2.711 1.00 0.00 H new ATOM 0 HA VAL A 455 3.428 -7.771 3.046 1.00 0.00 H new ATOM 0 HB VAL A 455 5.521 -5.786 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.620 -4.729 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.390 -4.757 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.519 -5.918 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.910 -6.507 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.865 -7.773 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.624 -7.834 5.342 1.00 0.00 H new ATOM 909 N VAL A 456 3.335 -6.529 0.900 1.00 0.00 N ATOM 910 CA VAL A 456 3.223 -5.774 -0.342 1.00 0.00 C ATOM 911 C VAL A 456 2.152 -4.692 -0.232 1.00 0.00 C ATOM 912 O VAL A 456 0.968 -4.990 -0.073 1.00 0.00 O ATOM 913 CB VAL A 456 2.891 -6.696 -1.533 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.548 -7.382 -1.328 1.00 0.00 C ATOM 915 CG2 VAL A 456 2.904 -5.912 -2.837 1.00 0.00 C ATOM 0 H VAL A 456 2.533 -7.125 1.105 1.00 0.00 H new ATOM 0 HA VAL A 456 4.191 -5.305 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 456 3.659 -7.468 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.335 -8.027 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.581 -7.982 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 456 0.765 -6.629 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 456 2.668 -6.580 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.162 -5.115 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 456 3.892 -5.479 -2.991 1.00 0.00 H new ATOM 925 N THR A 457 2.578 -3.436 -0.317 1.00 0.00 N ATOM 926 CA THR A 457 1.658 -2.308 -0.226 1.00 0.00 C ATOM 927 C THR A 457 1.733 -1.437 -1.474 1.00 0.00 C ATOM 928 O THR A 457 2.745 -1.423 -2.174 1.00 0.00 O ATOM 929 CB THR A 457 1.951 -1.440 1.012 1.00 0.00 C ATOM 930 OG1 THR A 457 2.037 -2.264 2.179 1.00 0.00 O ATOM 931 CG2 THR A 457 0.867 -0.390 1.205 1.00 0.00 C ATOM 0 H THR A 457 3.555 -3.174 -0.449 1.00 0.00 H new ATOM 0 HA THR A 457 0.655 -2.725 -0.137 1.00 0.00 H new ATOM 0 HB THR A 457 2.903 -0.933 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.225 -1.705 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.095 0.211 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.824 0.254 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 457 -0.096 -0.882 1.341 1.00 0.00 H new ATOM 939 N THR A 458 0.656 -0.708 -1.747 1.00 0.00 N ATOM 940 CA THR A 458 0.600 0.168 -2.911 1.00 0.00 C ATOM 941 C THR A 458 0.230 1.591 -2.510 1.00 0.00 C ATOM 942 O THR A 458 -0.567 1.803 -1.597 1.00 0.00 O ATOM 943 CB THR A 458 -0.419 -0.340 -3.947 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.451 -1.772 -3.943 1.00 0.00 O ATOM 945 CG2 THR A 458 -0.067 0.158 -5.341 1.00 0.00 C ATOM 0 H THR A 458 -0.190 -0.707 -1.177 1.00 0.00 H new ATOM 0 HA THR A 458 1.595 0.165 -3.357 1.00 0.00 H new ATOM 0 HB THR A 458 -1.402 0.046 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 458 -1.103 -2.086 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.801 -0.214 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.071 1.248 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 458 0.924 -0.203 -5.617 1.00 0.00 H new ATOM 953 N TYR A 459 0.815 2.567 -3.200 1.00 0.00 N ATOM 954 CA TYR A 459 0.547 3.972 -2.915 1.00 0.00 C ATOM 955 C TYR A 459 0.047 4.694 -4.162 1.00 0.00 C ATOM 956 O TYR A 459 0.805 4.921 -5.106 1.00 0.00 O ATOM 957 CB TYR A 459 1.808 4.656 -2.385 1.00 0.00 C ATOM 958 CG TYR A 459 1.974 4.547 -0.887 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.451 3.379 -0.305 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.652 5.611 -0.053 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.603 3.275 1.064 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.802 5.514 1.317 1.00 0.00 C ATOM 963 CZ TYR A 459 2.277 4.346 1.870 1.00 0.00 C ATOM 964 OH TYR A 459 2.428 4.246 3.234 1.00 0.00 O ATOM 0 H TYR A 459 1.477 2.410 -3.960 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.231 4.021 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.680 4.218 -2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.783 5.710 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.707 2.539 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.278 6.529 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 459 2.975 2.360 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.548 6.350 1.951 1.00 0.00 H new ATOM 0 HH TYR A 459 2.155 5.088 3.656 1.00 0.00 H new ATOM 974 N GLU A 460 -1.233 5.053 -4.159 1.00 0.00 N ATOM 975 CA GLU A 460 -1.833 5.750 -5.290 1.00 0.00 C ATOM 976 C GLU A 460 -2.141 7.200 -4.935 1.00 0.00 C ATOM 977 O GLU A 460 -3.173 7.498 -4.335 1.00 0.00 O ATOM 978 CB GLU A 460 -3.115 5.038 -5.732 1.00 0.00 C ATOM 979 CG GLU A 460 -2.886 3.613 -6.206 1.00 0.00 C ATOM 980 CD GLU A 460 -3.818 3.216 -7.334 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.268 4.114 -8.076 1.00 0.00 O ATOM 982 OE2 GLU A 460 -4.100 2.007 -7.474 1.00 0.00 O ATOM 0 H GLU A 460 -1.874 4.873 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.117 5.741 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.820 5.027 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.579 5.609 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.853 3.506 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.024 2.929 -5.368 1.00 0.00 H new ATOM 989 N GLY A 461 -1.238 8.100 -5.309 1.00 0.00 N ATOM 990 CA GLY A 461 -1.428 9.510 -5.021 1.00 0.00 C ATOM 991 C GLY A 461 -0.264 10.111 -4.262 1.00 0.00 C ATOM 992 O GLY A 461 0.443 9.410 -3.539 1.00 0.00 O ATOM 0 H GLY A 461 -0.376 7.878 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.566 10.053 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.341 9.639 -4.440 1.00 0.00 H new ATOM 996 N LYS A 462 -0.064 11.416 -4.424 1.00 0.00 N ATOM 997 CA LYS A 462 1.024 12.113 -3.748 1.00 0.00 C ATOM 998 C LYS A 462 0.485 13.029 -2.654 1.00 0.00 C ATOM 999 O LYS A 462 -0.447 13.801 -2.881 1.00 0.00 O ATOM 1000 CB LYS A 462 1.840 12.926 -4.754 1.00 0.00 C ATOM 1001 CG LYS A 462 2.855 12.098 -5.527 1.00 0.00 C ATOM 1002 CD LYS A 462 4.241 12.189 -4.906 1.00 0.00 C ATOM 1003 CE LYS A 462 4.683 10.855 -4.324 1.00 0.00 C ATOM 1004 NZ LYS A 462 6.130 10.600 -4.559 1.00 0.00 N ATOM 0 H LYS A 462 -0.642 12.011 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 462 1.670 11.366 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 462 1.160 13.403 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.362 13.724 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.534 11.057 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.895 12.443 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 462 4.958 12.513 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 462 4.240 12.946 -4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.481 10.841 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 462 4.096 10.052 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 6.392 9.681 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 6.319 10.588 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 6.692 11.352 -4.112 1.00 0.00 H new ATOM 1018 N HIS A 463 1.076 12.938 -1.467 1.00 0.00 N ATOM 1019 CA HIS A 463 0.655 13.760 -0.339 1.00 0.00 C ATOM 1020 C HIS A 463 0.859 15.241 -0.639 1.00 0.00 C ATOM 1021 O HIS A 463 1.967 15.675 -0.951 1.00 0.00 O ATOM 1022 CB HIS A 463 1.432 13.370 0.920 1.00 0.00 C ATOM 1023 CG HIS A 463 1.159 11.973 1.382 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.034 11.621 2.097 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.874 10.833 1.228 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.067 10.328 2.364 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.172 9.826 1.847 1.00 0.00 N ATOM 0 H HIS A 463 1.848 12.303 -1.262 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.408 13.586 -0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.499 13.478 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.181 14.065 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.819 10.734 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.682 9.776 2.912 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.459 8.849 1.898 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.218 16.013 -0.539 1.00 0.00 N ATOM 1036 CA ASN A 464 -0.157 17.446 -0.799 1.00 0.00 C ATOM 1037 C ASN A 464 -0.112 18.236 0.505 1.00 0.00 C ATOM 1038 O ASN A 464 -0.621 19.354 0.583 1.00 0.00 O ATOM 1039 CB ASN A 464 -1.361 17.886 -1.635 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.309 17.352 -3.053 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -0.344 16.696 -3.446 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.348 17.632 -3.829 1.00 0.00 N ATOM 0 H ASN A 464 -1.143 15.670 -0.280 1.00 0.00 H new ATOM 0 HA ASN A 464 0.757 17.649 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.278 17.544 -1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -1.403 18.975 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -2.368 17.300 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.126 18.179 -3.461 1.00 0.00 H new ATOM 1049 N HIS A 465 0.502 17.647 1.525 1.00 0.00 N ATOM 1050 CA HIS A 465 0.615 18.297 2.827 1.00 0.00 C ATOM 1051 C HIS A 465 1.904 17.885 3.531 1.00 0.00 C ATOM 1052 O HIS A 465 2.393 16.770 3.353 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.592 17.949 3.701 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.706 16.488 4.013 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.378 15.954 5.242 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.116 15.448 3.250 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.583 14.649 5.221 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.030 14.317 4.025 1.00 0.00 N ATOM 0 H HIS A 465 0.929 16.722 1.476 1.00 0.00 H new ATOM 0 HA HIS A 465 0.639 19.375 2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.527 18.507 4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.501 18.276 3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.449 15.498 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.413 13.970 6.043 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.273 13.373 3.724 1.00 0.00 H new