USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=20 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 443 LYS NZ :NH3+ -115:sc= 0.611 (180deg=-0.00543) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 434 CYS SG : rot -90:sc= -0.405 USER MOD Set 2.2: A 436 THR OG1 : rot -113:sc= -2.19! USER MOD Set 2.3: A 439 CYS SG : rot 70:sc= -1.34 USER MOD Set 2.4: A 463 HIS :FLIP no HE2:sc= -1.44 F(o=-11,f=-9.7) USER MOD Set 2.5: A 465 HIS :FLIP no HD1:sc= -4.36! F(o=-11,f=-9.7!) USER MOD Set 3.1: A 417 TYR OH : rot -77:sc= -0.275 USER MOD Set 3.2: A 433 LYS NZ :NH3+ -116:sc= 1.17 (180deg=-0.249) 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 419 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.7) 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= -1.29 K(o=-1.3,f=-8.9!) USER MOD Single : A 427 TYR OH : rot 30:sc= -0.322 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 435 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 444 HIS : +bothHN:sc= -0.113 K(o=-0.11,f=-4.5!) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 453 LYS NZ :NH3+ -130:sc= -1.33 (180deg=-3.19!) 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 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -1.45 K(o=-1.4,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 7.750 9.033 -7.992 1.00 0.00 N ATOM 71 CA TYR A 412 6.609 8.413 -8.656 1.00 0.00 C ATOM 72 C TYR A 412 5.362 8.498 -7.782 1.00 0.00 C ATOM 73 O TYR A 412 5.455 8.567 -6.557 1.00 0.00 O ATOM 74 CB TYR A 412 6.913 6.950 -8.983 1.00 0.00 C ATOM 75 CG TYR A 412 8.098 6.764 -9.905 1.00 0.00 C ATOM 76 CD1 TYR A 412 8.319 7.632 -10.968 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.993 5.718 -9.716 1.00 0.00 C ATOM 78 CE1 TYR A 412 9.399 7.462 -11.814 1.00 0.00 C ATOM 79 CE2 TYR A 412 10.075 5.543 -10.558 1.00 0.00 C ATOM 80 CZ TYR A 412 10.273 6.418 -11.605 1.00 0.00 C ATOM 81 OH TYR A 412 11.348 6.246 -12.446 1.00 0.00 O ATOM 0 HA TYR A 412 6.423 8.955 -9.583 1.00 0.00 H new ATOM 0 HB2 TYR A 412 7.099 6.411 -8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 412 6.033 6.500 -9.442 1.00 0.00 H new ATOM 0 HD1 TYR A 412 7.636 8.452 -11.136 1.00 0.00 H new ATOM 0 HD2 TYR A 412 8.841 5.030 -8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 412 9.557 8.145 -12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.762 4.725 -10.397 1.00 0.00 H new ATOM 0 HH TYR A 412 11.866 5.465 -12.160 1.00 0.00 H new ATOM 91 N ARG A 413 4.197 8.488 -8.420 1.00 0.00 N ATOM 92 CA ARG A 413 2.933 8.559 -7.695 1.00 0.00 C ATOM 93 C ARG A 413 2.550 7.186 -7.155 1.00 0.00 C ATOM 94 O ARG A 413 2.484 6.208 -7.901 1.00 0.00 O ATOM 95 CB ARG A 413 1.824 9.094 -8.606 1.00 0.00 C ATOM 96 CG ARG A 413 1.593 8.249 -9.850 1.00 0.00 C ATOM 97 CD ARG A 413 0.537 8.863 -10.756 1.00 0.00 C ATOM 98 NE ARG A 413 0.764 10.290 -10.978 1.00 0.00 N ATOM 99 CZ ARG A 413 -0.024 11.259 -10.510 1.00 0.00 C ATOM 100 NH1 ARG A 413 -1.096 10.969 -9.782 1.00 0.00 N ATOM 101 NH2 ARG A 413 0.263 12.528 -10.771 1.00 0.00 N ATOM 0 H ARG A 413 4.101 8.432 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 413 3.057 9.243 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 413 0.895 9.150 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 413 2.074 10.111 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 413 2.529 8.146 -10.399 1.00 0.00 H new ATOM 0 HG3 ARG A 413 1.283 7.246 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 413 0.536 8.343 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -0.448 8.718 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 413 1.579 10.563 -11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -1.324 9.997 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -1.691 11.719 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 413 1.085 12.761 -11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -0.338 13.271 -10.414 1.00 0.00 H new ATOM 115 N TRP A 414 2.300 7.116 -5.850 1.00 0.00 N ATOM 116 CA TRP A 414 1.926 5.861 -5.210 1.00 0.00 C ATOM 117 C TRP A 414 0.593 5.995 -4.485 1.00 0.00 C ATOM 118 O TRP A 414 0.307 7.026 -3.875 1.00 0.00 O ATOM 119 CB TRP A 414 3.012 5.419 -4.227 1.00 0.00 C ATOM 120 CG TRP A 414 4.370 5.315 -4.850 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.267 6.328 -5.031 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.986 4.134 -5.377 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.403 5.851 -5.638 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.255 4.506 -5.860 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.588 2.799 -5.485 1.00 0.00 C ATOM 126 CZ2 TRP A 414 7.126 3.590 -6.445 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.455 1.890 -6.063 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.710 2.289 -6.536 1.00 0.00 C ATOM 0 H TRP A 414 2.350 7.914 -5.217 1.00 0.00 H new ATOM 0 HA TRP A 414 1.821 5.105 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 414 3.053 6.127 -3.400 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.739 4.452 -3.805 1.00 0.00 H new ATOM 0 HD1 TRP A 414 5.107 7.355 -4.739 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.223 6.406 -5.883 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.621 2.483 -5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 8.094 3.895 -6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 5.159 0.855 -6.151 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.364 1.555 -6.982 1.00 0.00 H new ATOM 139 N ARG A 415 -0.220 4.948 -4.556 1.00 0.00 N ATOM 140 CA ARG A 415 -1.524 4.948 -3.905 1.00 0.00 C ATOM 141 C ARG A 415 -1.546 3.982 -2.725 1.00 0.00 C ATOM 142 O ARG A 415 -1.348 2.778 -2.890 1.00 0.00 O ATOM 143 CB ARG A 415 -2.619 4.579 -4.911 1.00 0.00 C ATOM 144 CG ARG A 415 -4.011 4.513 -4.301 1.00 0.00 C ATOM 145 CD ARG A 415 -4.683 3.176 -4.574 1.00 0.00 C ATOM 146 NE ARG A 415 -5.884 2.989 -3.765 1.00 0.00 N ATOM 147 CZ ARG A 415 -7.066 3.529 -4.057 1.00 0.00 C ATOM 148 NH1 ARG A 415 -7.210 4.285 -5.137 1.00 0.00 N ATOM 149 NH2 ARG A 415 -8.107 3.309 -3.267 1.00 0.00 N ATOM 0 H ARG A 415 0.001 4.088 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.714 5.952 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.620 5.311 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.381 3.613 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -3.945 4.674 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.624 5.318 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -4.944 3.111 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -3.980 2.369 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 415 -5.814 2.411 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -6.413 4.456 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -8.118 4.695 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -8.003 2.727 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -9.013 3.722 -3.490 1.00 0.00 H new ATOM 163 N LYS A 416 -1.790 4.522 -1.535 1.00 0.00 N ATOM 164 CA LYS A 416 -1.844 3.719 -0.319 1.00 0.00 C ATOM 165 C LYS A 416 -3.014 2.742 -0.372 1.00 0.00 C ATOM 166 O LYS A 416 -4.126 3.119 -0.740 1.00 0.00 O ATOM 167 CB LYS A 416 -1.985 4.629 0.906 1.00 0.00 C ATOM 168 CG LYS A 416 -1.963 3.890 2.234 1.00 0.00 C ATOM 169 CD LYS A 416 -2.725 4.649 3.309 1.00 0.00 C ATOM 170 CE LYS A 416 -1.976 4.651 4.632 1.00 0.00 C ATOM 171 NZ LYS A 416 -2.781 5.262 5.727 1.00 0.00 N ATOM 0 H LYS A 416 -1.954 5.518 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.917 3.151 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.177 5.361 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.920 5.184 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.401 2.900 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -0.931 3.744 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -2.890 5.676 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -3.707 4.197 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -1.714 3.628 4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -1.041 5.200 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -2.234 5.244 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -3.010 6.246 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -3.661 4.723 5.853 1.00 0.00 H new ATOM 185 N TYR A 417 -2.766 1.490 0.002 1.00 0.00 N ATOM 186 CA TYR A 417 -3.828 0.492 -0.011 1.00 0.00 C ATOM 187 C TYR A 417 -3.563 -0.668 0.947 1.00 0.00 C ATOM 188 O TYR A 417 -2.488 -1.277 0.944 1.00 0.00 O ATOM 189 CB TYR A 417 -4.069 -0.021 -1.440 1.00 0.00 C ATOM 190 CG TYR A 417 -3.307 -1.277 -1.803 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.730 -2.524 -1.359 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.167 -1.214 -2.592 1.00 0.00 C ATOM 193 CE1 TYR A 417 -3.036 -3.672 -1.690 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.469 -2.356 -2.927 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.906 -3.582 -2.475 1.00 0.00 C ATOM 196 OH TYR A 417 -1.210 -4.722 -2.809 1.00 0.00 O ATOM 0 H TYR A 417 -1.857 1.148 0.312 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.732 0.987 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.135 -0.211 -1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -3.799 0.767 -2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.616 -2.597 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -1.821 -0.256 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.377 -4.634 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.583 -2.289 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.670 -5.011 -2.044 1.00 0.00 H new ATOM 206 N GLY A 418 -4.577 -0.962 1.757 1.00 0.00 N ATOM 207 CA GLY A 418 -4.499 -2.049 2.712 1.00 0.00 C ATOM 208 C GLY A 418 -3.694 -1.719 3.953 1.00 0.00 C ATOM 209 O GLY A 418 -3.132 -0.630 4.079 1.00 0.00 O ATOM 0 H GLY A 418 -5.463 -0.457 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.509 -2.331 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.057 -2.917 2.224 1.00 0.00 H new ATOM 213 N GLN A 419 -3.644 -2.681 4.868 1.00 0.00 N ATOM 214 CA GLN A 419 -2.914 -2.543 6.120 1.00 0.00 C ATOM 215 C GLN A 419 -2.789 -3.909 6.782 1.00 0.00 C ATOM 216 O GLN A 419 -3.651 -4.769 6.599 1.00 0.00 O ATOM 217 CB GLN A 419 -3.632 -1.563 7.054 1.00 0.00 C ATOM 218 CG GLN A 419 -2.720 -0.483 7.618 1.00 0.00 C ATOM 219 CD GLN A 419 -2.459 -0.655 9.101 1.00 0.00 C ATOM 220 OE1 GLN A 419 -1.815 -1.616 9.522 1.00 0.00 O ATOM 221 NE2 GLN A 419 -2.960 0.277 9.903 1.00 0.00 N ATOM 0 H GLN A 419 -4.111 -3.581 4.760 1.00 0.00 H new ATOM 0 HA GLN A 419 -1.919 -2.148 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.450 -1.090 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.077 -2.119 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -1.771 -0.498 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -3.170 0.494 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.488 1.057 9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -2.817 0.213 10.911 1.00 0.00 H new ATOM 230 N LYS A 420 -1.718 -4.126 7.539 1.00 0.00 N ATOM 231 CA LYS A 420 -1.518 -5.413 8.192 1.00 0.00 C ATOM 232 C LYS A 420 -0.368 -5.361 9.194 1.00 0.00 C ATOM 233 O LYS A 420 0.660 -4.737 8.940 1.00 0.00 O ATOM 234 CB LYS A 420 -1.238 -6.487 7.137 1.00 0.00 C ATOM 235 CG LYS A 420 -2.061 -7.750 7.319 1.00 0.00 C ATOM 236 CD LYS A 420 -2.570 -8.282 5.989 1.00 0.00 C ATOM 237 CE LYS A 420 -1.435 -8.820 5.130 1.00 0.00 C ATOM 238 NZ LYS A 420 -1.673 -10.228 4.706 1.00 0.00 N ATOM 0 H LYS A 420 -0.986 -3.438 7.713 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.428 -5.659 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -1.437 -6.073 6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -0.180 -6.746 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -1.455 -8.512 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -2.906 -7.543 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -3.298 -9.073 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.088 -7.487 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -1.319 -8.191 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -0.500 -8.763 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -0.876 -10.554 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -1.758 -10.834 5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -2.551 -10.280 4.152 1.00 0.00 H new ATOM 252 N VAL A 421 -0.543 -6.037 10.324 1.00 0.00 N ATOM 253 CA VAL A 421 0.487 -6.085 11.354 1.00 0.00 C ATOM 254 C VAL A 421 1.173 -7.445 11.344 1.00 0.00 C ATOM 255 O VAL A 421 0.538 -8.465 11.079 1.00 0.00 O ATOM 256 CB VAL A 421 -0.098 -5.813 12.754 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.155 -6.849 13.108 1.00 0.00 C ATOM 258 CG2 VAL A 421 1.008 -5.788 13.801 1.00 0.00 C ATOM 0 H VAL A 421 -1.389 -6.560 10.550 1.00 0.00 H new ATOM 0 HA VAL A 421 1.214 -5.304 11.131 1.00 0.00 H new ATOM 0 HB VAL A 421 -0.577 -4.834 12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.554 -6.637 14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -1.962 -6.810 12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -0.707 -7.843 13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.575 -5.595 14.783 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.519 -6.750 13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.722 -5.001 13.558 1.00 0.00 H new ATOM 268 N VAL A 422 2.474 -7.460 11.620 1.00 0.00 N ATOM 269 CA VAL A 422 3.228 -8.707 11.620 1.00 0.00 C ATOM 270 C VAL A 422 4.036 -8.890 12.899 1.00 0.00 C ATOM 271 O VAL A 422 4.520 -7.915 13.494 1.00 0.00 O ATOM 272 CB VAL A 422 4.183 -8.786 10.414 1.00 0.00 C ATOM 273 CG1 VAL A 422 3.413 -9.123 9.146 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.950 -7.483 10.252 1.00 0.00 C ATOM 0 H VAL A 422 3.023 -6.630 11.844 1.00 0.00 H new ATOM 0 HA VAL A 422 2.489 -9.506 11.554 1.00 0.00 H new ATOM 0 HB VAL A 422 4.904 -9.583 10.596 1.00 0.00 H new ATOM 0 HG11 VAL A 422 4.103 -9.175 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.916 -10.085 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.667 -8.351 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.619 -7.559 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.248 -6.665 10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.534 -7.290 11.152 1.00 0.00 H new ATOM 284 N LYS A 423 4.179 -10.157 13.302 1.00 0.00 N ATOM 285 CA LYS A 423 4.931 -10.521 14.498 1.00 0.00 C ATOM 286 C LYS A 423 6.425 -10.529 14.202 1.00 0.00 C ATOM 287 O LYS A 423 6.841 -10.240 13.079 1.00 0.00 O ATOM 288 CB LYS A 423 4.488 -11.894 15.009 1.00 0.00 C ATOM 289 CG LYS A 423 3.436 -11.827 16.104 1.00 0.00 C ATOM 290 CD LYS A 423 4.022 -12.164 17.466 1.00 0.00 C ATOM 291 CE LYS A 423 2.998 -11.982 18.577 1.00 0.00 C ATOM 292 NZ LYS A 423 2.876 -13.200 19.424 1.00 0.00 N ATOM 0 H LYS A 423 3.777 -10.953 12.807 1.00 0.00 H new ATOM 0 HA LYS A 423 4.731 -9.779 15.271 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.094 -12.473 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 423 5.359 -12.430 15.386 1.00 0.00 H new ATOM 0 HG2 LYS A 423 3.002 -10.828 16.131 1.00 0.00 H new ATOM 0 HG3 LYS A 423 2.626 -12.520 15.874 1.00 0.00 H new ATOM 0 HD2 LYS A 423 4.379 -13.194 17.464 1.00 0.00 H new ATOM 0 HD3 LYS A 423 4.886 -11.528 17.659 1.00 0.00 H new ATOM 0 HE2 LYS A 423 3.284 -11.134 19.199 1.00 0.00 H new ATOM 0 HE3 LYS A 423 2.028 -11.744 18.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 2.169 -13.036 20.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 2.578 -14.004 18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 3.796 -13.413 19.861 1.00 0.00 H new ATOM 306 N GLY A 424 7.236 -10.835 15.212 1.00 0.00 N ATOM 307 CA GLY A 424 8.680 -10.839 15.022 1.00 0.00 C ATOM 308 C GLY A 424 9.219 -9.439 14.762 1.00 0.00 C ATOM 309 O GLY A 424 10.421 -9.194 14.870 1.00 0.00 O ATOM 0 H GLY A 424 6.924 -11.079 16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 424 9.162 -11.256 15.906 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.935 -11.488 14.184 1.00 0.00 H new ATOM 313 N ASN A 425 8.312 -8.529 14.423 1.00 0.00 N ATOM 314 CA ASN A 425 8.637 -7.144 14.143 1.00 0.00 C ATOM 315 C ASN A 425 7.376 -6.306 14.349 1.00 0.00 C ATOM 316 O ASN A 425 6.948 -5.584 13.451 1.00 0.00 O ATOM 317 CB ASN A 425 9.145 -7.004 12.705 1.00 0.00 C ATOM 318 CG ASN A 425 9.708 -5.629 12.412 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.901 -5.384 12.587 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.851 -4.723 11.956 1.00 0.00 N ATOM 0 H ASN A 425 7.318 -8.740 14.335 1.00 0.00 H new ATOM 0 HA ASN A 425 9.424 -6.798 14.813 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.915 -7.753 12.522 1.00 0.00 H new ATOM 0 HB3 ASN A 425 8.328 -7.212 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 425 9.174 -3.781 11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 425 7.870 -4.969 11.826 1.00 0.00 H new ATOM 327 N PRO A 426 6.760 -6.426 15.549 1.00 0.00 N ATOM 328 CA PRO A 426 5.531 -5.729 15.930 1.00 0.00 C ATOM 329 C PRO A 426 5.326 -4.396 15.228 1.00 0.00 C ATOM 330 O PRO A 426 5.460 -3.336 15.840 1.00 0.00 O ATOM 331 CB PRO A 426 5.753 -5.513 17.421 1.00 0.00 C ATOM 332 CG PRO A 426 6.535 -6.707 17.873 1.00 0.00 C ATOM 333 CD PRO A 426 7.219 -7.286 16.652 1.00 0.00 C ATOM 0 HA PRO A 426 4.640 -6.297 15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.300 -4.589 17.609 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.805 -5.437 17.954 1.00 0.00 H new ATOM 0 HG2 PRO A 426 7.270 -6.422 18.626 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.878 -7.446 18.332 1.00 0.00 H new ATOM 0 HD2 PRO A 426 8.304 -7.262 16.753 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.937 -8.327 16.492 1.00 0.00 H new ATOM 341 N TYR A 427 4.998 -4.448 13.944 1.00 0.00 N ATOM 342 CA TYR A 427 4.789 -3.222 13.180 1.00 0.00 C ATOM 343 C TYR A 427 3.827 -3.442 12.015 1.00 0.00 C ATOM 344 O TYR A 427 3.831 -4.499 11.384 1.00 0.00 O ATOM 345 CB TYR A 427 6.127 -2.691 12.655 1.00 0.00 C ATOM 346 CG TYR A 427 6.962 -1.980 13.702 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.658 -2.694 14.673 1.00 0.00 C ATOM 348 CD2 TYR A 427 7.055 -0.593 13.718 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.418 -2.047 15.627 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.815 0.061 14.668 1.00 0.00 C ATOM 351 CZ TYR A 427 8.495 -0.670 15.621 1.00 0.00 C ATOM 352 OH TYR A 427 9.252 -0.022 16.569 1.00 0.00 O ATOM 0 H TYR A 427 4.872 -5.311 13.415 1.00 0.00 H new ATOM 0 HA TYR A 427 4.344 -2.487 13.851 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.703 -3.523 12.250 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.935 -2.005 11.830 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.603 -3.773 14.680 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.524 -0.017 12.975 1.00 0.00 H new ATOM 0 HE1 TYR A 427 8.950 -2.617 16.375 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.877 1.139 14.665 1.00 0.00 H new ATOM 0 HH TYR A 427 10.001 -0.595 16.837 1.00 0.00 H new ATOM 362 N PRO A 428 2.992 -2.433 11.710 1.00 0.00 N ATOM 363 CA PRO A 428 2.028 -2.507 10.616 1.00 0.00 C ATOM 364 C PRO A 428 2.660 -2.162 9.270 1.00 0.00 C ATOM 365 O PRO A 428 3.366 -1.163 9.144 1.00 0.00 O ATOM 366 CB PRO A 428 0.996 -1.455 11.008 1.00 0.00 C ATOM 367 CG PRO A 428 1.782 -0.414 11.732 1.00 0.00 C ATOM 368 CD PRO A 428 2.925 -1.133 12.408 1.00 0.00 C ATOM 0 HA PRO A 428 1.616 -3.508 10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.500 -1.039 10.131 1.00 0.00 H new ATOM 0 HB3 PRO A 428 0.218 -1.879 11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.154 0.342 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.161 0.102 12.464 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.859 -0.579 12.310 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.741 -1.262 13.475 1.00 0.00 H new ATOM 376 N ARG A 429 2.399 -2.994 8.270 1.00 0.00 N ATOM 377 CA ARG A 429 2.942 -2.774 6.933 1.00 0.00 C ATOM 378 C ARG A 429 1.902 -2.123 6.026 1.00 0.00 C ATOM 379 O ARG A 429 0.713 -2.103 6.344 1.00 0.00 O ATOM 380 CB ARG A 429 3.428 -4.093 6.313 1.00 0.00 C ATOM 381 CG ARG A 429 2.696 -5.326 6.821 1.00 0.00 C ATOM 382 CD ARG A 429 2.913 -6.522 5.905 1.00 0.00 C ATOM 383 NE ARG A 429 4.330 -6.752 5.630 1.00 0.00 N ATOM 384 CZ ARG A 429 4.824 -7.913 5.207 1.00 0.00 C ATOM 385 NH1 ARG A 429 4.023 -8.953 5.011 1.00 0.00 N ATOM 386 NH2 ARG A 429 6.124 -8.038 4.979 1.00 0.00 N ATOM 0 H ARG A 429 1.816 -3.826 8.358 1.00 0.00 H new ATOM 0 HA ARG A 429 3.794 -2.101 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.314 -4.037 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 429 4.493 -4.207 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 429 3.043 -5.568 7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 429 1.630 -5.112 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.484 -7.413 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.383 -6.360 4.966 1.00 0.00 H new ATOM 0 HE ARG A 429 4.978 -5.977 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 429 3.022 -8.865 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 429 4.409 -9.840 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 429 6.747 -7.244 5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 429 6.502 -8.928 4.655 1.00 0.00 H new ATOM 400 N SER A 430 2.360 -1.592 4.899 1.00 0.00 N ATOM 401 CA SER A 430 1.473 -0.941 3.942 1.00 0.00 C ATOM 402 C SER A 430 1.799 -1.378 2.519 1.00 0.00 C ATOM 403 O SER A 430 2.952 -1.676 2.204 1.00 0.00 O ATOM 404 CB SER A 430 1.593 0.581 4.060 1.00 0.00 C ATOM 405 OG SER A 430 1.606 0.988 5.418 1.00 0.00 O ATOM 0 H SER A 430 3.342 -1.599 4.625 1.00 0.00 H new ATOM 0 HA SER A 430 0.449 -1.237 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.506 0.916 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.759 1.056 3.543 1.00 0.00 H new ATOM 0 HG SER A 430 1.685 1.964 5.466 1.00 0.00 H new ATOM 411 N TYR A 431 0.785 -1.422 1.659 1.00 0.00 N ATOM 412 CA TYR A 431 0.989 -1.830 0.275 1.00 0.00 C ATOM 413 C TYR A 431 0.831 -0.646 -0.677 1.00 0.00 C ATOM 414 O TYR A 431 -0.286 -0.247 -1.006 1.00 0.00 O ATOM 415 CB TYR A 431 0.002 -2.941 -0.102 1.00 0.00 C ATOM 416 CG TYR A 431 0.121 -4.187 0.751 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.282 -4.189 2.082 1.00 0.00 C ATOM 418 CD2 TYR A 431 0.636 -5.363 0.222 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.176 -5.330 2.861 1.00 0.00 C ATOM 420 CE2 TYR A 431 0.746 -6.506 0.992 1.00 0.00 C ATOM 421 CZ TYR A 431 0.339 -6.484 2.309 1.00 0.00 C ATOM 422 OH TYR A 431 0.447 -7.621 3.082 1.00 0.00 O ATOM 0 H TYR A 431 -0.178 -1.182 1.895 1.00 0.00 H new ATOM 0 HA TYR A 431 2.007 -2.209 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.014 -2.553 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.157 -3.212 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -0.685 -3.286 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 431 0.956 -5.385 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -0.494 -5.316 3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 431 1.149 -7.412 0.564 1.00 0.00 H new ATOM 0 HH TYR A 431 0.827 -8.347 2.545 1.00 0.00 H new ATOM 432 N TYR A 432 1.956 -0.076 -1.107 1.00 0.00 N ATOM 433 CA TYR A 432 1.939 1.067 -2.018 1.00 0.00 C ATOM 434 C TYR A 432 2.176 0.617 -3.455 1.00 0.00 C ATOM 435 O TYR A 432 3.172 -0.043 -3.750 1.00 0.00 O ATOM 436 CB TYR A 432 3.011 2.082 -1.619 1.00 0.00 C ATOM 437 CG TYR A 432 2.609 2.991 -0.479 1.00 0.00 C ATOM 438 CD1 TYR A 432 1.713 4.033 -0.679 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.130 2.809 0.796 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.347 4.868 0.359 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.769 3.640 1.839 1.00 0.00 C ATOM 442 CZ TYR A 432 1.877 4.668 1.616 1.00 0.00 C ATOM 443 OH TYR A 432 1.514 5.497 2.652 1.00 0.00 O ATOM 0 H TYR A 432 2.890 -0.387 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 432 0.957 1.535 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.917 1.545 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.258 2.693 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.295 4.193 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.829 2.005 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 432 0.649 5.674 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.183 3.485 2.824 1.00 0.00 H new ATOM 0 HH TYR A 432 1.976 5.219 3.470 1.00 0.00 H new ATOM 453 N LYS A 433 1.251 0.965 -4.341 1.00 0.00 N ATOM 454 CA LYS A 433 1.364 0.579 -5.743 1.00 0.00 C ATOM 455 C LYS A 433 1.485 1.791 -6.661 1.00 0.00 C ATOM 456 O LYS A 433 0.562 2.600 -6.763 1.00 0.00 O ATOM 457 CB LYS A 433 0.154 -0.257 -6.155 1.00 0.00 C ATOM 458 CG LYS A 433 0.398 -1.750 -6.078 1.00 0.00 C ATOM 459 CD LYS A 433 -0.835 -2.541 -6.485 1.00 0.00 C ATOM 460 CE LYS A 433 -0.916 -3.870 -5.754 1.00 0.00 C ATOM 461 NZ LYS A 433 -2.326 -4.273 -5.492 1.00 0.00 N ATOM 0 H LYS A 433 0.419 1.510 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 433 2.275 -0.011 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -0.690 -0.001 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.129 0.005 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 433 1.232 -2.017 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 433 0.685 -2.020 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -1.729 -1.955 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -0.816 -2.718 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -0.422 -4.641 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -0.377 -3.799 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -2.494 -4.302 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.971 -3.584 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -2.499 -5.215 -5.898 1.00 0.00 H new ATOM 475 N CYS A 434 2.620 1.896 -7.347 1.00 0.00 N ATOM 476 CA CYS A 434 2.851 2.990 -8.278 1.00 0.00 C ATOM 477 C CYS A 434 1.960 2.822 -9.502 1.00 0.00 C ATOM 478 O CYS A 434 1.942 1.762 -10.128 1.00 0.00 O ATOM 479 CB CYS A 434 4.327 3.032 -8.697 1.00 0.00 C ATOM 480 SG CYS A 434 4.670 4.021 -10.177 1.00 0.00 S ATOM 0 H CYS A 434 3.393 1.235 -7.274 1.00 0.00 H new ATOM 0 HA CYS A 434 2.605 3.931 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.914 3.428 -7.868 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.670 2.012 -8.871 1.00 0.00 H new ATOM 0 HG CYS A 434 4.583 3.267 -11.233 1.00 0.00 H new ATOM 485 N THR A 435 1.220 3.869 -9.835 1.00 0.00 N ATOM 486 CA THR A 435 0.328 3.831 -10.984 1.00 0.00 C ATOM 487 C THR A 435 0.854 4.714 -12.109 1.00 0.00 C ATOM 488 O THR A 435 1.698 5.582 -11.891 1.00 0.00 O ATOM 489 CB THR A 435 -1.106 4.272 -10.612 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.779 4.800 -11.764 1.00 0.00 O ATOM 491 CG2 THR A 435 -1.097 5.321 -9.506 1.00 0.00 C ATOM 0 H THR A 435 1.219 4.754 -9.327 1.00 0.00 H new ATOM 0 HA THR A 435 0.293 2.796 -11.323 1.00 0.00 H new ATOM 0 HB THR A 435 -1.637 3.392 -10.249 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.687 5.074 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 435 -2.121 5.609 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 435 -0.621 4.908 -8.617 1.00 0.00 H new ATOM 0 HG23 THR A 435 -0.542 6.198 -9.840 1.00 0.00 H new ATOM 499 N THR A 436 0.332 4.495 -13.307 1.00 0.00 N ATOM 500 CA THR A 436 0.710 5.265 -14.483 1.00 0.00 C ATOM 501 C THR A 436 -0.217 4.874 -15.631 1.00 0.00 C ATOM 502 O THR A 436 -0.951 3.893 -15.516 1.00 0.00 O ATOM 503 CB THR A 436 2.178 5.015 -14.883 1.00 0.00 C ATOM 504 OG1 THR A 436 2.817 4.183 -13.907 1.00 0.00 O ATOM 505 CG2 THR A 436 2.939 6.327 -15.005 1.00 0.00 C ATOM 0 H THR A 436 -0.368 3.776 -13.491 1.00 0.00 H new ATOM 0 HA THR A 436 0.615 6.327 -14.255 1.00 0.00 H new ATOM 0 HB THR A 436 2.185 4.515 -15.852 1.00 0.00 H new ATOM 0 HG1 THR A 436 3.507 4.698 -13.439 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.972 6.124 -15.288 1.00 0.00 H new ATOM 0 HG22 THR A 436 2.470 6.950 -15.766 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.921 6.848 -14.048 1.00 0.00 H new ATOM 513 N PRO A 437 -0.221 5.612 -16.752 1.00 0.00 N ATOM 514 CA PRO A 437 -1.097 5.275 -17.871 1.00 0.00 C ATOM 515 C PRO A 437 -0.936 3.812 -18.279 1.00 0.00 C ATOM 516 O PRO A 437 -1.918 3.077 -18.385 1.00 0.00 O ATOM 517 CB PRO A 437 -0.678 6.246 -18.987 1.00 0.00 C ATOM 518 CG PRO A 437 0.021 7.367 -18.288 1.00 0.00 C ATOM 519 CD PRO A 437 0.603 6.803 -17.016 1.00 0.00 C ATOM 0 HA PRO A 437 -2.154 5.378 -17.626 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -0.020 5.759 -19.706 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -1.545 6.607 -19.541 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.806 7.784 -18.919 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -0.675 8.177 -18.067 1.00 0.00 H new ATOM 0 HD2 PRO A 437 1.655 6.543 -17.138 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.545 7.520 -16.197 1.00 0.00 H new ATOM 527 N GLY A 438 0.304 3.395 -18.505 1.00 0.00 N ATOM 528 CA GLY A 438 0.564 2.023 -18.897 1.00 0.00 C ATOM 529 C GLY A 438 1.542 1.324 -17.974 1.00 0.00 C ATOM 530 O GLY A 438 2.320 0.478 -18.416 1.00 0.00 O ATOM 0 H GLY A 438 1.134 3.982 -18.424 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.375 1.470 -18.910 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.957 2.009 -19.914 1.00 0.00 H new ATOM 534 N CYS A 439 1.516 1.676 -16.689 1.00 0.00 N ATOM 535 CA CYS A 439 2.427 1.064 -15.729 1.00 0.00 C ATOM 536 C CYS A 439 1.776 0.845 -14.363 1.00 0.00 C ATOM 537 O CYS A 439 0.920 1.619 -13.919 1.00 0.00 O ATOM 538 CB CYS A 439 3.692 1.917 -15.582 1.00 0.00 C ATOM 539 SG CYS A 439 4.664 1.589 -14.086 1.00 0.00 S ATOM 0 H CYS A 439 0.883 2.372 -16.295 1.00 0.00 H new ATOM 0 HA CYS A 439 2.693 0.082 -16.119 1.00 0.00 H new ATOM 0 HB2 CYS A 439 4.326 1.753 -16.453 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.406 2.969 -15.589 1.00 0.00 H new ATOM 0 HG CYS A 439 5.223 0.419 -14.179 1.00 0.00 H new ATOM 544 N GLY A 440 2.222 -0.226 -13.711 1.00 0.00 N ATOM 545 CA GLY A 440 1.731 -0.587 -12.395 1.00 0.00 C ATOM 546 C GLY A 440 2.758 -1.381 -11.607 1.00 0.00 C ATOM 547 O GLY A 440 3.024 -2.541 -11.917 1.00 0.00 O ATOM 0 H GLY A 440 2.929 -0.861 -14.082 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.470 0.317 -11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.818 -1.174 -12.496 1.00 0.00 H new ATOM 551 N VAL A 441 3.338 -0.754 -10.588 1.00 0.00 N ATOM 552 CA VAL A 441 4.344 -1.406 -9.757 1.00 0.00 C ATOM 553 C VAL A 441 3.939 -1.364 -8.289 1.00 0.00 C ATOM 554 O VAL A 441 3.179 -0.491 -7.874 1.00 0.00 O ATOM 555 CB VAL A 441 5.727 -0.737 -9.936 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.667 -1.078 -8.787 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.337 -1.150 -11.262 1.00 0.00 C ATOM 0 H VAL A 441 3.128 0.207 -10.318 1.00 0.00 H new ATOM 0 HA VAL A 441 4.414 -2.446 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 441 5.581 0.343 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.629 -0.591 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 441 6.235 -0.730 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.810 -2.158 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.310 -0.674 -11.379 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.458 -2.233 -11.285 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.682 -0.840 -12.076 1.00 0.00 H new ATOM 567 N ARG A 442 4.439 -2.312 -7.503 1.00 0.00 N ATOM 568 CA ARG A 442 4.111 -2.370 -6.082 1.00 0.00 C ATOM 569 C ARG A 442 5.276 -1.881 -5.228 1.00 0.00 C ATOM 570 O ARG A 442 6.355 -1.580 -5.740 1.00 0.00 O ATOM 571 CB ARG A 442 3.751 -3.801 -5.680 1.00 0.00 C ATOM 572 CG ARG A 442 2.309 -4.178 -5.975 1.00 0.00 C ATOM 573 CD ARG A 442 2.101 -5.681 -5.895 1.00 0.00 C ATOM 574 NE ARG A 442 1.524 -6.085 -4.613 1.00 0.00 N ATOM 575 CZ ARG A 442 1.959 -7.113 -3.886 1.00 0.00 C ATOM 576 NH1 ARG A 442 2.974 -7.862 -4.307 1.00 0.00 N ATOM 577 NH2 ARG A 442 1.375 -7.399 -2.731 1.00 0.00 N ATOM 0 H ARG A 442 5.070 -3.047 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 442 3.255 -1.717 -5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 442 4.412 -4.492 -6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 442 3.938 -3.927 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.649 -3.680 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 442 2.035 -3.824 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 442 1.445 -6.000 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 442 3.055 -6.188 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 442 0.738 -5.545 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 442 3.429 -7.652 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 442 3.298 -8.646 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 442 0.594 -6.832 -2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 442 1.707 -8.186 -2.173 1.00 0.00 H new ATOM 591 N LYS A 443 5.049 -1.811 -3.920 1.00 0.00 N ATOM 592 CA LYS A 443 6.073 -1.368 -2.982 1.00 0.00 C ATOM 593 C LYS A 443 5.627 -1.629 -1.545 1.00 0.00 C ATOM 594 O LYS A 443 4.475 -1.377 -1.189 1.00 0.00 O ATOM 595 CB LYS A 443 6.374 0.121 -3.189 1.00 0.00 C ATOM 596 CG LYS A 443 7.094 0.777 -2.018 1.00 0.00 C ATOM 597 CD LYS A 443 7.821 2.040 -2.447 1.00 0.00 C ATOM 598 CE LYS A 443 6.850 3.169 -2.750 1.00 0.00 C ATOM 599 NZ LYS A 443 7.541 4.486 -2.843 1.00 0.00 N ATOM 0 H LYS A 443 4.160 -2.057 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 443 6.985 -1.935 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.982 0.237 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.437 0.649 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.374 1.018 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.807 0.074 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.507 2.351 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.424 1.831 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.334 2.963 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 443 6.089 3.212 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 7.215 5.104 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.568 4.345 -2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 7.322 4.929 -3.758 1.00 0.00 H new ATOM 613 N HIS A 444 6.540 -2.137 -0.724 1.00 0.00 N ATOM 614 CA HIS A 444 6.231 -2.432 0.670 1.00 0.00 C ATOM 615 C HIS A 444 6.985 -1.489 1.603 1.00 0.00 C ATOM 616 O HIS A 444 8.163 -1.199 1.389 1.00 0.00 O ATOM 617 CB HIS A 444 6.592 -3.884 0.998 1.00 0.00 C ATOM 618 CG HIS A 444 5.414 -4.807 1.014 1.00 0.00 C ATOM 619 ND1 HIS A 444 5.032 -5.559 -0.077 1.00 0.00 N ATOM 620 CD2 HIS A 444 4.533 -5.104 1.999 1.00 0.00 C ATOM 621 CE1 HIS A 444 3.968 -6.278 0.236 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.646 -6.021 1.491 1.00 0.00 N ATOM 0 H HIS A 444 7.498 -2.353 -0.999 1.00 0.00 H new ATOM 0 HA HIS A 444 5.161 -2.287 0.818 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.315 -4.244 0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 444 7.081 -3.917 1.971 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.498 -5.560 -0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 444 4.529 -4.695 2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.450 -6.960 -0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 444 2.866 -6.436 2.000 1.00 0.00 H new ATOM 631 N VAL A 445 6.298 -1.013 2.635 1.00 0.00 N ATOM 632 CA VAL A 445 6.903 -0.100 3.597 1.00 0.00 C ATOM 633 C VAL A 445 6.694 -0.587 5.027 1.00 0.00 C ATOM 634 O VAL A 445 5.558 -0.765 5.473 1.00 0.00 O ATOM 635 CB VAL A 445 6.319 1.319 3.456 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.064 2.300 4.346 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.358 1.771 2.004 1.00 0.00 C ATOM 0 H VAL A 445 5.323 -1.244 2.827 1.00 0.00 H new ATOM 0 HA VAL A 445 7.971 -0.072 3.383 1.00 0.00 H new ATOM 0 HB VAL A 445 5.278 1.294 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.635 3.295 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.977 1.986 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.116 2.323 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.942 2.775 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.390 1.777 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.771 1.085 1.394 1.00 0.00 H new ATOM 647 N GLU A 446 7.797 -0.800 5.741 1.00 0.00 N ATOM 648 CA GLU A 446 7.741 -1.268 7.123 1.00 0.00 C ATOM 649 C GLU A 446 8.900 -0.696 7.934 1.00 0.00 C ATOM 650 O GLU A 446 9.885 -0.216 7.371 1.00 0.00 O ATOM 651 CB GLU A 446 7.781 -2.800 7.180 1.00 0.00 C ATOM 652 CG GLU A 446 7.264 -3.481 5.922 1.00 0.00 C ATOM 653 CD GLU A 446 7.208 -4.990 6.055 1.00 0.00 C ATOM 654 OE1 GLU A 446 6.858 -5.476 7.150 1.00 0.00 O ATOM 655 OE2 GLU A 446 7.515 -5.686 5.063 1.00 0.00 O ATOM 0 H GLU A 446 8.742 -0.656 5.384 1.00 0.00 H new ATOM 0 HA GLU A 446 6.801 -0.922 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.808 -3.120 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 446 7.190 -3.137 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 446 6.268 -3.103 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 446 7.906 -3.218 5.081 1.00 0.00 H new ATOM 662 N ARG A 447 8.777 -0.749 9.256 1.00 0.00 N ATOM 663 CA ARG A 447 9.817 -0.234 10.143 1.00 0.00 C ATOM 664 C ARG A 447 10.575 -1.374 10.816 1.00 0.00 C ATOM 665 O ARG A 447 10.150 -2.529 10.771 1.00 0.00 O ATOM 666 CB ARG A 447 9.205 0.683 11.202 1.00 0.00 C ATOM 667 CG ARG A 447 8.465 1.876 10.619 1.00 0.00 C ATOM 668 CD ARG A 447 7.155 1.458 9.974 1.00 0.00 C ATOM 669 NE ARG A 447 6.163 2.530 9.999 1.00 0.00 N ATOM 670 CZ ARG A 447 6.161 3.559 9.152 1.00 0.00 C ATOM 671 NH1 ARG A 447 7.097 3.657 8.215 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.219 4.488 9.241 1.00 0.00 N ATOM 0 H ARG A 447 7.969 -1.143 9.738 1.00 0.00 H new ATOM 0 HA ARG A 447 10.522 0.339 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 447 8.516 0.104 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.996 1.043 11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 447 8.268 2.603 11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 447 9.095 2.370 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 447 7.339 1.159 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 447 6.758 0.585 10.493 1.00 0.00 H new ATOM 0 HE ARG A 447 5.429 2.489 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 447 7.822 2.943 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 447 7.091 4.446 7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 447 4.497 4.415 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.217 5.276 8.593 1.00 0.00 H new ATOM 686 N ALA A 448 11.704 -1.043 11.437 1.00 0.00 N ATOM 687 CA ALA A 448 12.524 -2.038 12.117 1.00 0.00 C ATOM 688 C ALA A 448 12.091 -2.216 13.570 1.00 0.00 C ATOM 689 O ALA A 448 11.950 -1.244 14.313 1.00 0.00 O ATOM 690 CB ALA A 448 13.994 -1.652 12.038 1.00 0.00 C ATOM 0 H ALA A 448 12.071 -0.092 11.483 1.00 0.00 H new ATOM 0 HA ALA A 448 12.384 -2.994 11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.595 -2.403 12.550 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.299 -1.593 10.993 1.00 0.00 H new ATOM 0 HB3 ALA A 448 14.142 -0.683 12.514 1.00 0.00 H new ATOM 696 N ALA A 449 11.869 -3.469 13.960 1.00 0.00 N ATOM 697 CA ALA A 449 11.434 -3.800 15.316 1.00 0.00 C ATOM 698 C ALA A 449 12.219 -3.032 16.377 1.00 0.00 C ATOM 699 O ALA A 449 11.634 -2.392 17.250 1.00 0.00 O ATOM 700 CB ALA A 449 11.554 -5.299 15.555 1.00 0.00 C ATOM 0 H ALA A 449 11.984 -4.279 13.350 1.00 0.00 H new ATOM 0 HA ALA A 449 10.390 -3.501 15.405 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.227 -5.533 16.568 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.929 -5.833 14.839 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.592 -5.606 15.429 1.00 0.00 H new ATOM 706 N THR A 450 13.542 -3.098 16.297 1.00 0.00 N ATOM 707 CA THR A 450 14.397 -2.407 17.255 1.00 0.00 C ATOM 708 C THR A 450 14.632 -0.960 16.839 1.00 0.00 C ATOM 709 O THR A 450 14.867 -0.090 17.677 1.00 0.00 O ATOM 710 CB THR A 450 15.753 -3.117 17.411 1.00 0.00 C ATOM 711 OG1 THR A 450 16.167 -3.667 16.155 1.00 0.00 O ATOM 712 CG2 THR A 450 15.668 -4.226 18.451 1.00 0.00 C ATOM 0 H THR A 450 14.046 -3.621 15.581 1.00 0.00 H new ATOM 0 HA THR A 450 13.878 -2.423 18.213 1.00 0.00 H new ATOM 0 HB THR A 450 16.485 -2.382 17.745 1.00 0.00 H new ATOM 0 HG1 THR A 450 17.032 -4.115 16.263 1.00 0.00 H new ATOM 0 HG21 THR A 450 16.639 -4.713 18.544 1.00 0.00 H new ATOM 0 HG22 THR A 450 15.382 -3.801 19.413 1.00 0.00 H new ATOM 0 HG23 THR A 450 14.922 -4.958 18.142 1.00 0.00 H new ATOM 720 N ASP A 451 14.570 -0.710 15.534 1.00 0.00 N ATOM 721 CA ASP A 451 14.781 0.632 15.004 1.00 0.00 C ATOM 722 C ASP A 451 13.498 1.193 14.395 1.00 0.00 C ATOM 723 O ASP A 451 13.250 1.038 13.200 1.00 0.00 O ATOM 724 CB ASP A 451 15.893 0.621 13.955 1.00 0.00 C ATOM 725 CG ASP A 451 16.693 1.911 13.953 1.00 0.00 C ATOM 726 OD1 ASP A 451 16.167 2.936 14.437 1.00 0.00 O ATOM 727 OD2 ASP A 451 17.843 1.896 13.468 1.00 0.00 O ATOM 0 H ASP A 451 14.376 -1.418 14.826 1.00 0.00 H new ATOM 0 HA ASP A 451 15.077 1.275 15.833 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.561 -0.219 14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.458 0.464 12.968 1.00 0.00 H new ATOM 732 N PRO A 452 12.668 1.866 15.211 1.00 0.00 N ATOM 733 CA PRO A 452 11.413 2.458 14.741 1.00 0.00 C ATOM 734 C PRO A 452 11.654 3.621 13.783 1.00 0.00 C ATOM 735 O PRO A 452 10.770 3.999 13.015 1.00 0.00 O ATOM 736 CB PRO A 452 10.744 2.952 16.026 1.00 0.00 C ATOM 737 CG PRO A 452 11.867 3.157 16.984 1.00 0.00 C ATOM 738 CD PRO A 452 12.890 2.108 16.649 1.00 0.00 C ATOM 0 HA PRO A 452 10.807 1.744 14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.195 3.878 15.856 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.028 2.223 16.405 1.00 0.00 H new ATOM 0 HG2 PRO A 452 12.287 4.158 16.885 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.525 3.055 18.014 1.00 0.00 H new ATOM 0 HD2 PRO A 452 13.904 2.457 16.847 1.00 0.00 H new ATOM 0 HD3 PRO A 452 12.744 1.202 17.237 1.00 0.00 H new ATOM 746 N LYS A 453 12.861 4.180 13.832 1.00 0.00 N ATOM 747 CA LYS A 453 13.222 5.297 12.966 1.00 0.00 C ATOM 748 C LYS A 453 13.669 4.800 11.595 1.00 0.00 C ATOM 749 O LYS A 453 13.596 5.532 10.608 1.00 0.00 O ATOM 750 CB LYS A 453 14.337 6.127 13.606 1.00 0.00 C ATOM 751 CG LYS A 453 13.827 7.290 14.440 1.00 0.00 C ATOM 752 CD LYS A 453 12.950 8.224 13.621 1.00 0.00 C ATOM 753 CE LYS A 453 11.476 8.060 13.968 1.00 0.00 C ATOM 754 NZ LYS A 453 10.683 7.563 12.810 1.00 0.00 N ATOM 0 H LYS A 453 13.604 3.877 14.462 1.00 0.00 H new ATOM 0 HA LYS A 453 12.339 5.923 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 453 14.946 5.478 14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 453 14.988 6.512 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 453 13.260 6.908 15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 453 14.672 7.846 14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 453 13.253 9.256 13.798 1.00 0.00 H new ATOM 0 HD3 LYS A 453 13.098 8.025 12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 453 11.375 7.365 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 453 11.073 9.017 14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 9.847 8.167 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 11.269 7.589 11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 10.379 6.585 12.992 1.00 0.00 H new ATOM 768 N ALA A 454 14.131 3.554 11.538 1.00 0.00 N ATOM 769 CA ALA A 454 14.587 2.964 10.286 1.00 0.00 C ATOM 770 C ALA A 454 13.426 2.336 9.524 1.00 0.00 C ATOM 771 O ALA A 454 12.661 1.547 10.079 1.00 0.00 O ATOM 772 CB ALA A 454 15.667 1.927 10.556 1.00 0.00 C ATOM 0 H ALA A 454 14.199 2.934 12.345 1.00 0.00 H new ATOM 0 HA ALA A 454 15.007 3.757 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.999 1.494 9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 454 16.512 2.403 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 454 15.265 1.141 11.195 1.00 0.00 H new ATOM 778 N VAL A 455 13.295 2.696 8.253 1.00 0.00 N ATOM 779 CA VAL A 455 12.223 2.170 7.419 1.00 0.00 C ATOM 780 C VAL A 455 12.779 1.364 6.248 1.00 0.00 C ATOM 781 O VAL A 455 13.812 1.711 5.677 1.00 0.00 O ATOM 782 CB VAL A 455 11.338 3.305 6.872 1.00 0.00 C ATOM 783 CG1 VAL A 455 10.121 2.740 6.155 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.918 4.240 7.996 1.00 0.00 C ATOM 0 H VAL A 455 13.918 3.350 7.778 1.00 0.00 H new ATOM 0 HA VAL A 455 11.620 1.516 8.049 1.00 0.00 H new ATOM 0 HB VAL A 455 11.919 3.878 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.509 3.559 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.446 2.115 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.534 2.141 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.293 5.037 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 455 10.355 3.681 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.804 4.674 8.459 1.00 0.00 H new ATOM 794 N VAL A 456 12.085 0.287 5.896 1.00 0.00 N ATOM 795 CA VAL A 456 12.506 -0.565 4.793 1.00 0.00 C ATOM 796 C VAL A 456 11.602 -0.367 3.578 1.00 0.00 C ATOM 797 O VAL A 456 10.390 -0.205 3.716 1.00 0.00 O ATOM 798 CB VAL A 456 12.510 -2.058 5.199 1.00 0.00 C ATOM 799 CG1 VAL A 456 13.173 -2.241 6.557 1.00 0.00 C ATOM 800 CG2 VAL A 456 11.098 -2.625 5.212 1.00 0.00 C ATOM 0 H VAL A 456 11.228 -0.016 6.360 1.00 0.00 H new ATOM 0 HA VAL A 456 13.524 -0.275 4.533 1.00 0.00 H new ATOM 0 HB VAL A 456 13.087 -2.608 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 456 13.166 -3.297 6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 456 14.202 -1.885 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 456 12.626 -1.672 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 456 11.130 -3.676 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.490 -2.071 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.661 -2.535 4.218 1.00 0.00 H new ATOM 810 N THR A 457 12.197 -0.375 2.390 1.00 0.00 N ATOM 811 CA THR A 457 11.439 -0.188 1.159 1.00 0.00 C ATOM 812 C THR A 457 11.808 -1.233 0.108 1.00 0.00 C ATOM 813 O THR A 457 12.971 -1.361 -0.273 1.00 0.00 O ATOM 814 CB THR A 457 11.663 1.215 0.569 1.00 0.00 C ATOM 815 OG1 THR A 457 11.971 2.143 1.616 1.00 0.00 O ATOM 816 CG2 THR A 457 10.428 1.685 -0.184 1.00 0.00 C ATOM 0 H THR A 457 13.199 -0.509 2.254 1.00 0.00 H new ATOM 0 HA THR A 457 10.388 -0.303 1.422 1.00 0.00 H new ATOM 0 HB THR A 457 12.499 1.165 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.114 3.033 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.608 2.679 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 457 10.212 0.992 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.578 1.721 0.498 1.00 0.00 H new ATOM 824 N THR A 458 10.806 -1.972 -0.356 1.00 0.00 N ATOM 825 CA THR A 458 11.017 -3.003 -1.367 1.00 0.00 C ATOM 826 C THR A 458 10.231 -2.691 -2.636 1.00 0.00 C ATOM 827 O THR A 458 9.026 -2.445 -2.585 1.00 0.00 O ATOM 828 CB THR A 458 10.601 -4.391 -0.846 1.00 0.00 C ATOM 829 OG1 THR A 458 10.853 -4.485 0.561 1.00 0.00 O ATOM 830 CG2 THR A 458 11.358 -5.492 -1.575 1.00 0.00 C ATOM 0 H THR A 458 9.838 -1.876 -0.048 1.00 0.00 H new ATOM 0 HA THR A 458 12.083 -3.014 -1.595 1.00 0.00 H new ATOM 0 HB THR A 458 9.535 -4.518 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.584 -5.370 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 458 11.048 -6.463 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 458 11.141 -5.438 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.429 -5.364 -1.416 1.00 0.00 H new ATOM 838 N TYR A 459 10.919 -2.701 -3.775 1.00 0.00 N ATOM 839 CA TYR A 459 10.278 -2.415 -5.056 1.00 0.00 C ATOM 840 C TYR A 459 9.989 -3.701 -5.823 1.00 0.00 C ATOM 841 O TYR A 459 10.901 -4.463 -6.145 1.00 0.00 O ATOM 842 CB TYR A 459 11.166 -1.498 -5.900 1.00 0.00 C ATOM 843 CG TYR A 459 11.190 -0.064 -5.421 1.00 0.00 C ATOM 844 CD1 TYR A 459 10.065 0.744 -5.523 1.00 0.00 C ATOM 845 CD2 TYR A 459 12.344 0.483 -4.871 1.00 0.00 C ATOM 846 CE1 TYR A 459 10.089 2.056 -5.092 1.00 0.00 C ATOM 847 CE2 TYR A 459 12.373 1.794 -4.435 1.00 0.00 C ATOM 848 CZ TYR A 459 11.244 2.576 -4.548 1.00 0.00 C ATOM 849 OH TYR A 459 11.271 3.882 -4.116 1.00 0.00 O ATOM 0 H TYR A 459 11.917 -2.903 -3.837 1.00 0.00 H new ATOM 0 HA TYR A 459 9.332 -1.913 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 459 12.183 -1.889 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.818 -1.521 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 459 9.157 0.340 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 459 13.231 -0.126 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 459 9.206 2.672 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 459 13.276 2.204 -4.008 1.00 0.00 H new ATOM 0 HH TYR A 459 12.159 4.090 -3.759 1.00 0.00 H new ATOM 859 N GLU A 460 8.714 -3.939 -6.113 1.00 0.00 N ATOM 860 CA GLU A 460 8.302 -5.137 -6.840 1.00 0.00 C ATOM 861 C GLU A 460 7.685 -4.777 -8.188 1.00 0.00 C ATOM 862 O GLU A 460 6.553 -4.297 -8.255 1.00 0.00 O ATOM 863 CB GLU A 460 7.301 -5.940 -6.009 1.00 0.00 C ATOM 864 CG GLU A 460 7.839 -6.367 -4.653 1.00 0.00 C ATOM 865 CD GLU A 460 6.751 -6.485 -3.605 1.00 0.00 C ATOM 866 OE1 GLU A 460 5.683 -7.054 -3.917 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.965 -6.008 -2.470 1.00 0.00 O ATOM 0 H GLU A 460 7.947 -3.318 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 460 9.190 -5.743 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 460 6.402 -5.342 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 460 7.006 -6.827 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 460 8.347 -7.326 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 460 8.584 -5.645 -4.318 1.00 0.00 H new ATOM 874 N GLY A 461 8.432 -5.017 -9.263 1.00 0.00 N ATOM 875 CA GLY A 461 7.934 -4.717 -10.594 1.00 0.00 C ATOM 876 C GLY A 461 8.905 -3.886 -11.411 1.00 0.00 C ATOM 877 O GLY A 461 10.104 -3.862 -11.129 1.00 0.00 O ATOM 0 H GLY A 461 9.372 -5.413 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 461 7.730 -5.650 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 461 6.987 -4.184 -10.511 1.00 0.00 H new ATOM 881 N LYS A 462 8.383 -3.201 -12.424 1.00 0.00 N ATOM 882 CA LYS A 462 9.204 -2.360 -13.290 1.00 0.00 C ATOM 883 C LYS A 462 8.374 -1.223 -13.881 1.00 0.00 C ATOM 884 O LYS A 462 7.210 -1.411 -14.236 1.00 0.00 O ATOM 885 CB LYS A 462 9.822 -3.199 -14.411 1.00 0.00 C ATOM 886 CG LYS A 462 11.332 -3.051 -14.521 1.00 0.00 C ATOM 887 CD LYS A 462 12.055 -4.280 -13.995 1.00 0.00 C ATOM 888 CE LYS A 462 13.529 -4.000 -13.754 1.00 0.00 C ATOM 889 NZ LYS A 462 14.315 -4.030 -15.019 1.00 0.00 N ATOM 0 H LYS A 462 7.392 -3.212 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 462 10.005 -1.927 -12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 462 9.579 -4.248 -14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 462 9.367 -2.914 -15.360 1.00 0.00 H new ATOM 0 HG2 LYS A 462 11.607 -2.885 -15.563 1.00 0.00 H new ATOM 0 HG3 LYS A 462 11.654 -2.172 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 462 11.589 -4.607 -13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 462 11.951 -5.097 -14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 462 13.640 -3.024 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 462 13.930 -4.739 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 15.315 -3.834 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 14.230 -4.969 -15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 13.949 -3.308 -15.672 1.00 0.00 H new ATOM 903 N HIS A 463 8.979 -0.043 -13.985 1.00 0.00 N ATOM 904 CA HIS A 463 8.292 1.122 -14.534 1.00 0.00 C ATOM 905 C HIS A 463 8.670 1.339 -15.995 1.00 0.00 C ATOM 906 O HIS A 463 9.848 1.480 -16.326 1.00 0.00 O ATOM 907 CB HIS A 463 8.626 2.370 -13.716 1.00 0.00 C ATOM 908 CG HIS A 463 8.418 2.194 -12.243 1.00 0.00 C ATOM 909 ND1 HIS A 463 9.288 1.862 -11.260 1.00 0.00 N flip ATOM 910 CD2 HIS A 463 7.195 2.359 -11.629 1.00 0.00 C flip ATOM 911 CE1 HIS A 463 8.581 1.834 -10.083 1.00 0.00 C flip ATOM 912 NE2 HIS A 463 7.321 2.137 -10.332 1.00 0.00 N flip ATOM 0 H HIS A 463 9.942 0.132 -13.697 1.00 0.00 H new ATOM 0 HA HIS A 463 7.219 0.938 -14.480 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.665 2.646 -13.898 1.00 0.00 H new ATOM 0 HB3 HIS A 463 8.010 3.199 -14.065 1.00 0.00 H new ATOM 0 HD1 HIS A 463 10.283 1.669 -11.373 1.00 0.00 H new ATOM 0 HD2 HIS A 463 6.277 2.628 -12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 463 8.990 1.602 -9.111 1.00 0.00 H new ATOM 920 N ASN A 464 7.666 1.360 -16.866 1.00 0.00 N ATOM 921 CA ASN A 464 7.900 1.554 -18.293 1.00 0.00 C ATOM 922 C ASN A 464 7.516 2.965 -18.736 1.00 0.00 C ATOM 923 O ASN A 464 6.998 3.159 -19.836 1.00 0.00 O ATOM 924 CB ASN A 464 7.117 0.519 -19.106 1.00 0.00 C ATOM 925 CG ASN A 464 5.616 0.661 -18.943 1.00 0.00 C ATOM 926 OD1 ASN A 464 5.121 1.702 -18.514 1.00 0.00 O ATOM 927 ND2 ASN A 464 4.882 -0.392 -19.289 1.00 0.00 N ATOM 0 H ASN A 464 6.685 1.245 -16.610 1.00 0.00 H new ATOM 0 HA ASN A 464 8.967 1.422 -18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 464 7.375 0.620 -20.160 1.00 0.00 H new ATOM 0 HB3 ASN A 464 7.419 -0.482 -18.799 1.00 0.00 H new ATOM 0 HD21 ASN A 464 3.866 -0.356 -19.203 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.335 -1.236 -19.640 1.00 0.00 H new ATOM 934 N HIS A 465 7.777 3.948 -17.879 1.00 0.00 N ATOM 935 CA HIS A 465 7.463 5.337 -18.198 1.00 0.00 C ATOM 936 C HIS A 465 8.698 6.234 -18.004 1.00 0.00 C ATOM 937 O HIS A 465 9.735 5.998 -18.623 1.00 0.00 O ATOM 938 CB HIS A 465 6.247 5.814 -17.376 1.00 0.00 C ATOM 939 CG HIS A 465 6.327 5.516 -15.901 1.00 0.00 C ATOM 940 ND1 HIS A 465 5.846 4.470 -15.190 1.00 0.00 N flip ATOM 941 CD2 HIS A 465 6.933 6.350 -14.977 1.00 0.00 C flip ATOM 942 CE1 HIS A 465 6.167 4.685 -13.872 1.00 0.00 C flip ATOM 943 NE2 HIS A 465 6.822 5.824 -13.770 1.00 0.00 N flip ATOM 0 H HIS A 465 8.203 3.810 -16.963 1.00 0.00 H new ATOM 0 HA HIS A 465 7.187 5.409 -19.250 1.00 0.00 H new ATOM 0 HB2 HIS A 465 6.135 6.890 -17.510 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.348 5.347 -17.779 1.00 0.00 H new ATOM 0 HD2 HIS A 465 7.421 7.286 -15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 465 5.922 4.027 -13.052 1.00 0.00 H new ATOM 0 HE2 HIS A 465 7.182 6.230 -12.906 1.00 0.00 H new