USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 248 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 449 ASN : amide:sc= 0.384 K(o=2.5,f=-7.9!) USER MOD Set 1.2: A 452 THR OG1 : rot 147:sc= 0.877 USER MOD Set 1.3: A 456 TYR OH : rot 42:sc= 1.25 USER MOD Set 2.1: A 439 LYS NZ :NH3+ -159:sc= -0.89 (180deg=-3.14!) USER MOD Set 2.2: A 445 THR OG1 : rot 140:sc= -0.32 USER MOD Set 3.1: A 436 THR OG1 : rot -170:sc= 0.903 USER MOD Set 3.2: A 450 ASN : amide:sc= 1.05 X(o=2,f=1.6) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 124:sc= 1.54 USER MOD Single : A 444 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0.481) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ -149:sc= 0.25 (180deg=-0.163) USER MOD Single : A 461 GLN : amide:sc= -0.224 K(o=-0.22,f=-1) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N TRP A 435 4.976 3.797 -0.389 1.00 15.00 N ATOM 87 CA TRP A 435 3.915 2.853 -0.691 1.00 15.00 C ATOM 88 C TRP A 435 4.049 2.303 -2.104 1.00 15.00 C ATOM 89 O TRP A 435 4.003 3.052 -3.082 1.00 15.00 O ATOM 90 CB TRP A 435 2.553 3.526 -0.528 1.00 15.00 C ATOM 91 CG TRP A 435 2.315 4.061 0.849 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.348 5.369 1.241 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.015 3.298 2.019 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.073 5.464 2.583 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.869 4.207 3.083 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.851 1.934 2.270 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.566 3.796 4.376 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.552 1.528 3.553 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.413 2.456 4.593 1.00 15.00 C ATOM 0 HA TRP A 435 3.998 2.021 0.009 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.471 4.342 -1.246 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.770 2.808 -0.771 1.00 15.00 H new ATOM 0 HD1 TRP A 435 2.559 6.205 0.591 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.028 6.330 3.119 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.956 1.211 1.474 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.456 4.510 5.179 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.423 0.476 3.760 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.180 2.105 5.587 1.00 15.00 H new ATOM 110 N THR A 436 4.215 0.997 -2.200 1.00 15.00 N ATOM 111 CA THR A 436 4.288 0.325 -3.483 1.00 15.00 C ATOM 112 C THR A 436 3.053 -0.551 -3.682 1.00 15.00 C ATOM 113 O THR A 436 2.842 -1.509 -2.937 1.00 15.00 O ATOM 114 CB THR A 436 5.553 -0.548 -3.564 1.00 15.00 C ATOM 115 OG1 THR A 436 6.709 0.243 -3.254 1.00 15.00 O ATOM 116 CG2 THR A 436 5.707 -1.160 -4.948 1.00 15.00 C ATOM 0 H THR A 436 4.303 0.376 -1.396 1.00 15.00 H new ATOM 0 HA THR A 436 4.329 1.081 -4.267 1.00 15.00 H new ATOM 0 HB THR A 436 5.457 -1.357 -2.840 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.520 -0.268 -3.458 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.609 -1.772 -4.977 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.839 -1.782 -5.170 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.783 -0.366 -5.691 1.00 15.00 H new ATOM 124 N GLU A 437 2.229 -0.219 -4.667 1.00 15.00 N ATOM 125 CA GLU A 437 1.015 -0.982 -4.901 1.00 15.00 C ATOM 126 C GLU A 437 1.272 -2.109 -5.893 1.00 15.00 C ATOM 127 O GLU A 437 1.892 -1.909 -6.940 1.00 15.00 O ATOM 128 CB GLU A 437 -0.127 -0.086 -5.405 1.00 15.00 C ATOM 129 CG GLU A 437 0.037 0.419 -6.830 1.00 15.00 C ATOM 130 CD GLU A 437 -1.296 0.607 -7.530 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.967 1.630 -7.282 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.688 -0.276 -8.323 1.00 15.00 O ATOM 0 H GLU A 437 2.377 0.562 -5.307 1.00 15.00 H new ATOM 0 HA GLU A 437 0.710 -1.412 -3.947 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.062 -0.642 -5.337 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.217 0.772 -4.739 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.576 1.367 -6.818 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.646 -0.286 -7.396 1.00 15.00 H new ATOM 139 N TYR A 438 0.809 -3.298 -5.555 1.00 15.00 N ATOM 140 CA TYR A 438 0.865 -4.412 -6.478 1.00 15.00 C ATOM 141 C TYR A 438 -0.536 -4.747 -6.967 1.00 15.00 C ATOM 142 O TYR A 438 -1.365 -5.264 -6.215 1.00 15.00 O ATOM 143 CB TYR A 438 1.514 -5.636 -5.831 1.00 15.00 C ATOM 144 CG TYR A 438 2.990 -5.464 -5.532 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.948 -5.716 -6.508 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.424 -5.059 -4.276 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.296 -5.571 -6.238 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.770 -4.909 -4.001 1.00 15.00 C ATOM 149 CZ TYR A 438 5.702 -5.166 -4.984 1.00 15.00 C ATOM 150 OH TYR A 438 7.044 -5.021 -4.707 1.00 15.00 O ATOM 0 H TYR A 438 0.391 -3.515 -4.650 1.00 15.00 H new ATOM 0 HA TYR A 438 1.481 -4.123 -7.329 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.990 -5.865 -4.903 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.385 -6.494 -6.490 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.634 -6.030 -7.492 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.698 -4.858 -3.502 1.00 15.00 H new ATOM 0 HE1 TYR A 438 6.028 -5.774 -7.006 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.091 -4.592 -3.020 1.00 15.00 H new ATOM 0 HH TYR A 438 7.157 -4.728 -3.779 1.00 15.00 H new ATOM 160 N LYS A 439 -0.801 -4.419 -8.220 1.00 15.00 N ATOM 161 CA LYS A 439 -2.094 -4.676 -8.828 1.00 15.00 C ATOM 162 C LYS A 439 -2.088 -6.056 -9.471 1.00 15.00 C ATOM 163 O LYS A 439 -1.334 -6.307 -10.412 1.00 15.00 O ATOM 164 CB LYS A 439 -2.401 -3.597 -9.876 1.00 15.00 C ATOM 165 CG LYS A 439 -3.722 -3.788 -10.607 1.00 15.00 C ATOM 166 CD LYS A 439 -4.929 -3.495 -9.723 1.00 15.00 C ATOM 167 CE LYS A 439 -5.188 -1.997 -9.567 1.00 15.00 C ATOM 168 NZ LYS A 439 -4.228 -1.332 -8.644 1.00 15.00 N ATOM 0 H LYS A 439 -0.129 -3.969 -8.842 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.869 -4.646 -8.062 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.408 -2.623 -9.386 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.594 -3.579 -10.608 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.748 -3.135 -11.479 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.785 -4.812 -10.974 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.812 -3.971 -10.149 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.772 -3.938 -8.740 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -5.131 -1.521 -10.546 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.202 -1.846 -9.197 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -4.639 -0.441 -8.299 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -4.031 -1.958 -7.837 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -3.342 -1.131 -9.150 1.00 15.00 H new ATOM 182 N THR A 440 -2.916 -6.949 -8.960 1.00 15.00 N ATOM 183 CA THR A 440 -2.923 -8.325 -9.416 1.00 15.00 C ATOM 184 C THR A 440 -3.890 -8.516 -10.578 1.00 15.00 C ATOM 185 O THR A 440 -4.890 -7.800 -10.692 1.00 15.00 O ATOM 186 CB THR A 440 -3.290 -9.289 -8.275 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.590 -8.977 -7.766 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.268 -9.215 -7.150 1.00 15.00 C ATOM 0 H THR A 440 -3.594 -6.744 -8.226 1.00 15.00 H new ATOM 0 HA THR A 440 -1.914 -8.554 -9.757 1.00 15.00 H new ATOM 0 HB THR A 440 -3.292 -10.303 -8.676 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.161 -9.772 -7.818 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.551 -9.906 -6.356 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.284 -9.486 -7.534 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.236 -8.200 -6.754 1.00 15.00 H new ATOM 196 N ALA A 441 -3.573 -9.464 -11.450 1.00 15.00 N ATOM 197 CA ALA A 441 -4.396 -9.758 -12.617 1.00 15.00 C ATOM 198 C ALA A 441 -5.803 -10.193 -12.216 1.00 15.00 C ATOM 199 O ALA A 441 -6.768 -9.948 -12.942 1.00 15.00 O ATOM 200 CB ALA A 441 -3.734 -10.826 -13.472 1.00 15.00 C ATOM 0 H ALA A 441 -2.741 -10.049 -11.369 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.487 -8.842 -13.200 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.359 -11.036 -14.340 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.758 -10.473 -13.804 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.610 -11.736 -12.885 1.00 15.00 H new ATOM 206 N ASP A 442 -5.922 -10.824 -11.050 1.00 15.00 N ATOM 207 CA ASP A 442 -7.218 -11.304 -10.570 1.00 15.00 C ATOM 208 C ASP A 442 -8.076 -10.148 -10.050 1.00 15.00 C ATOM 209 O ASP A 442 -9.211 -10.352 -9.618 1.00 15.00 O ATOM 210 CB ASP A 442 -7.043 -12.372 -9.481 1.00 15.00 C ATOM 211 CG ASP A 442 -6.609 -11.803 -8.144 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.412 -11.482 -7.988 1.00 15.00 O ATOM 213 OD2 ASP A 442 -7.460 -11.690 -7.240 1.00 15.00 O ATOM 0 H ASP A 442 -5.141 -11.015 -10.422 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.733 -11.759 -11.416 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.984 -12.906 -9.352 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.305 -13.102 -9.814 1.00 15.00 H new ATOM 218 N GLY A 443 -7.533 -8.935 -10.106 1.00 15.00 N ATOM 219 CA GLY A 443 -8.314 -7.753 -9.792 1.00 15.00 C ATOM 220 C GLY A 443 -8.268 -7.361 -8.329 1.00 15.00 C ATOM 221 O GLY A 443 -9.289 -6.994 -7.750 1.00 15.00 O ATOM 0 H GLY A 443 -6.564 -8.750 -10.364 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.952 -6.919 -10.394 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.351 -7.927 -10.080 1.00 15.00 H new ATOM 225 N LYS A 444 -7.090 -7.438 -7.728 1.00 15.00 N ATOM 226 CA LYS A 444 -6.901 -6.985 -6.356 1.00 15.00 C ATOM 227 C LYS A 444 -5.638 -6.140 -6.264 1.00 15.00 C ATOM 228 O LYS A 444 -4.904 -6.003 -7.243 1.00 15.00 O ATOM 229 CB LYS A 444 -6.819 -8.176 -5.394 1.00 15.00 C ATOM 230 CG LYS A 444 -8.113 -8.970 -5.300 1.00 15.00 C ATOM 231 CD LYS A 444 -7.969 -10.173 -4.383 1.00 15.00 C ATOM 232 CE LYS A 444 -9.230 -11.023 -4.378 1.00 15.00 C ATOM 233 NZ LYS A 444 -9.635 -11.424 -5.751 1.00 15.00 N ATOM 0 H LYS A 444 -6.249 -7.810 -8.169 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.759 -6.378 -6.067 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -6.017 -8.840 -5.718 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -6.551 -7.813 -4.401 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.910 -8.324 -4.931 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -8.408 -9.304 -6.295 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -7.122 -10.778 -4.705 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -7.752 -9.836 -3.369 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -9.064 -11.915 -3.774 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -10.041 -10.466 -3.909 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -10.195 -12.299 -5.706 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -10.207 -10.668 -6.179 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -8.786 -11.586 -6.330 1.00 15.00 H new ATOM 247 N THR A 445 -5.393 -5.550 -5.106 1.00 15.00 N ATOM 248 CA THR A 445 -4.198 -4.744 -4.909 1.00 15.00 C ATOM 249 C THR A 445 -3.731 -4.807 -3.462 1.00 15.00 C ATOM 250 O THR A 445 -4.426 -4.342 -2.563 1.00 15.00 O ATOM 251 CB THR A 445 -4.439 -3.266 -5.295 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.049 -3.196 -6.589 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.129 -2.498 -5.323 1.00 15.00 C ATOM 0 H THR A 445 -6.002 -5.613 -4.291 1.00 15.00 H new ATOM 0 HA THR A 445 -3.428 -5.158 -5.559 1.00 15.00 H new ATOM 0 HB THR A 445 -5.097 -2.821 -4.549 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.735 -2.496 -6.590 1.00 15.00 H new ATOM 0 HG21 THR A 445 -3.321 -1.461 -5.597 1.00 15.00 H new ATOM 0 HG22 THR A 445 -2.665 -2.533 -4.337 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.459 -2.948 -6.055 1.00 15.00 H new ATOM 261 N TYR A 446 -2.568 -5.402 -3.239 1.00 15.00 N ATOM 262 CA TYR A 446 -1.970 -5.394 -1.917 1.00 15.00 C ATOM 263 C TYR A 446 -0.863 -4.349 -1.870 1.00 15.00 C ATOM 264 O TYR A 446 0.043 -4.335 -2.708 1.00 15.00 O ATOM 265 CB TYR A 446 -1.463 -6.791 -1.503 1.00 15.00 C ATOM 266 CG TYR A 446 -0.426 -7.417 -2.414 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.802 -8.119 -3.554 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.930 -7.335 -2.114 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.143 -8.716 -4.368 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.878 -7.926 -2.926 1.00 15.00 C ATOM 271 CZ TYR A 446 1.481 -8.615 -4.050 1.00 15.00 C ATOM 272 OH TYR A 446 2.425 -9.209 -4.859 1.00 15.00 O ATOM 0 H TYR A 446 -2.026 -5.892 -3.951 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.736 -5.126 -1.189 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.042 -6.721 -0.500 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.319 -7.463 -1.443 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.849 -8.199 -3.808 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.247 -6.800 -1.231 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.166 -9.259 -5.249 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.927 -7.848 -2.680 1.00 15.00 H new ATOM 0 HH TYR A 446 3.319 -9.043 -4.495 1.00 15.00 H new ATOM 282 N TYR A 447 -0.969 -3.459 -0.902 1.00 15.00 N ATOM 283 CA TYR A 447 -0.075 -2.324 -0.786 1.00 15.00 C ATOM 284 C TYR A 447 1.087 -2.654 0.130 1.00 15.00 C ATOM 285 O TYR A 447 0.906 -2.940 1.313 1.00 15.00 O ATOM 286 CB TYR A 447 -0.848 -1.109 -0.271 1.00 15.00 C ATOM 287 CG TYR A 447 -1.997 -0.724 -1.176 1.00 15.00 C ATOM 288 CD1 TYR A 447 -3.259 -1.285 -1.007 1.00 15.00 C ATOM 289 CD2 TYR A 447 -1.816 0.180 -2.215 1.00 15.00 C ATOM 290 CE1 TYR A 447 -4.304 -0.954 -1.843 1.00 15.00 C ATOM 291 CE2 TYR A 447 -2.858 0.516 -3.057 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.100 -0.054 -2.866 1.00 15.00 C ATOM 293 OH TYR A 447 -5.138 0.280 -3.704 1.00 15.00 O ATOM 0 H TYR A 447 -1.680 -3.503 -0.172 1.00 15.00 H new ATOM 0 HA TYR A 447 0.331 -2.088 -1.770 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.232 -1.323 0.726 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.167 -0.264 -0.175 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.423 -1.992 -0.207 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -0.845 0.627 -2.367 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.278 -1.398 -1.697 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -2.702 1.221 -3.860 1.00 15.00 H new ATOM 0 HH TYR A 447 -4.825 0.927 -4.370 1.00 15.00 H new ATOM 303 N TYR A 448 2.278 -2.619 -0.431 1.00 15.00 N ATOM 304 CA TYR A 448 3.477 -3.007 0.281 1.00 15.00 C ATOM 305 C TYR A 448 4.125 -1.800 0.949 1.00 15.00 C ATOM 306 O TYR A 448 4.492 -0.829 0.282 1.00 15.00 O ATOM 307 CB TYR A 448 4.446 -3.669 -0.697 1.00 15.00 C ATOM 308 CG TYR A 448 5.729 -4.171 -0.079 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.730 -5.257 0.789 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.943 -3.573 -0.385 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.908 -5.729 1.333 1.00 15.00 C ATOM 312 CE2 TYR A 448 8.123 -4.037 0.160 1.00 15.00 C ATOM 313 CZ TYR A 448 8.101 -5.114 1.015 1.00 15.00 C ATOM 314 OH TYR A 448 9.279 -5.587 1.545 1.00 15.00 O ATOM 0 H TYR A 448 2.442 -2.321 -1.393 1.00 15.00 H new ATOM 0 HA TYR A 448 3.215 -3.716 1.066 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.939 -4.506 -1.177 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.693 -2.954 -1.481 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.797 -5.738 1.041 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.965 -2.731 -1.061 1.00 15.00 H new ATOM 0 HE1 TYR A 448 6.895 -6.575 2.004 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.059 -3.557 -0.084 1.00 15.00 H new ATOM 0 HH TYR A 448 10.026 -5.042 1.220 1.00 15.00 H new ATOM 324 N ASN A 449 4.249 -1.866 2.266 1.00 15.00 N ATOM 325 CA ASN A 449 4.933 -0.832 3.024 1.00 15.00 C ATOM 326 C ASN A 449 6.403 -1.190 3.127 1.00 15.00 C ATOM 327 O ASN A 449 6.769 -2.144 3.822 1.00 15.00 O ATOM 328 CB ASN A 449 4.343 -0.699 4.432 1.00 15.00 C ATOM 329 CG ASN A 449 4.860 0.519 5.185 1.00 15.00 C ATOM 330 OD1 ASN A 449 5.987 0.968 4.977 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.049 1.041 6.094 1.00 15.00 N ATOM 0 H ASN A 449 3.882 -2.630 2.834 1.00 15.00 H new ATOM 0 HA ASN A 449 4.807 0.121 2.509 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.257 -0.640 4.360 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.576 -1.598 5.003 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.352 1.841 6.649 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.121 0.642 6.239 1.00 15.00 H new ATOM 338 N ASN A 450 7.236 -0.430 2.428 1.00 15.00 N ATOM 339 CA ASN A 450 8.668 -0.708 2.359 1.00 15.00 C ATOM 340 C ASN A 450 9.371 -0.367 3.670 1.00 15.00 C ATOM 341 O ASN A 450 10.520 -0.749 3.882 1.00 15.00 O ATOM 342 CB ASN A 450 9.321 0.075 1.213 1.00 15.00 C ATOM 343 CG ASN A 450 8.844 -0.357 -0.164 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.421 -1.255 -0.776 1.00 15.00 O ATOM 345 ND2 ASN A 450 7.800 0.287 -0.665 1.00 15.00 N ATOM 0 H ASN A 450 6.943 0.390 1.897 1.00 15.00 H new ATOM 0 HA ASN A 450 8.777 -1.777 2.175 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.113 1.137 1.344 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.403 -0.048 1.269 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.447 0.044 -1.590 1.00 15.00 H new ATOM 0 HD22 ASN A 450 7.349 1.026 -0.125 1.00 15.00 H new ATOM 352 N ARG A 451 8.688 0.361 4.543 1.00 15.00 N ATOM 353 CA ARG A 451 9.296 0.811 5.788 1.00 15.00 C ATOM 354 C ARG A 451 9.091 -0.200 6.912 1.00 15.00 C ATOM 355 O ARG A 451 9.914 -0.296 7.823 1.00 15.00 O ATOM 356 CB ARG A 451 8.738 2.180 6.194 1.00 15.00 C ATOM 357 CG ARG A 451 8.929 3.264 5.139 1.00 15.00 C ATOM 358 CD ARG A 451 10.353 3.812 5.107 1.00 15.00 C ATOM 359 NE ARG A 451 11.362 2.782 4.855 1.00 15.00 N ATOM 360 CZ ARG A 451 12.115 2.718 3.755 1.00 15.00 C ATOM 361 NH1 ARG A 451 11.920 3.565 2.748 1.00 15.00 N ATOM 362 NH2 ARG A 451 13.052 1.786 3.656 1.00 15.00 N ATOM 0 H ARG A 451 7.719 0.651 4.414 1.00 15.00 H new ATOM 0 HA ARG A 451 10.368 0.903 5.616 1.00 15.00 H new ATOM 0 HB2 ARG A 451 7.674 2.079 6.408 1.00 15.00 H new ATOM 0 HB3 ARG A 451 9.220 2.498 7.119 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.678 2.859 4.159 1.00 15.00 H new ATOM 0 HG3 ARG A 451 8.234 4.081 5.334 1.00 15.00 H new ATOM 0 HD2 ARG A 451 10.424 4.577 4.334 1.00 15.00 H new ATOM 0 HD3 ARG A 451 10.570 4.299 6.058 1.00 15.00 H new ATOM 0 HE ARG A 451 11.499 2.065 5.568 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.189 4.273 2.812 1.00 15.00 H new ATOM 0 HH12 ARG A 451 12.502 3.506 1.912 1.00 15.00 H new ATOM 0 HH21 ARG A 451 13.194 1.123 4.418 1.00 15.00 H new ATOM 0 HH22 ARG A 451 13.631 1.732 2.818 1.00 15.00 H new ATOM 376 N THR A 452 7.989 -0.937 6.868 1.00 15.00 N ATOM 377 CA THR A 452 7.683 -1.896 7.923 1.00 15.00 C ATOM 378 C THR A 452 7.607 -3.324 7.390 1.00 15.00 C ATOM 379 O THR A 452 7.409 -4.267 8.161 1.00 15.00 O ATOM 380 CB THR A 452 6.358 -1.546 8.627 1.00 15.00 C ATOM 381 OG1 THR A 452 5.304 -1.432 7.661 1.00 15.00 O ATOM 382 CG2 THR A 452 6.478 -0.244 9.406 1.00 15.00 C ATOM 0 H THR A 452 7.297 -0.891 6.120 1.00 15.00 H new ATOM 0 HA THR A 452 8.500 -1.837 8.642 1.00 15.00 H new ATOM 0 HB THR A 452 6.127 -2.348 9.328 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.462 -1.738 8.058 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.528 -0.022 9.892 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.258 -0.342 10.161 1.00 15.00 H new ATOM 0 HG23 THR A 452 6.734 0.566 8.723 1.00 15.00 H new ATOM 390 N LEU A 453 7.760 -3.475 6.070 1.00 15.00 N ATOM 391 CA LEU A 453 7.714 -4.785 5.414 1.00 15.00 C ATOM 392 C LEU A 453 6.315 -5.394 5.533 1.00 15.00 C ATOM 393 O LEU A 453 6.150 -6.615 5.529 1.00 15.00 O ATOM 394 CB LEU A 453 8.759 -5.728 6.028 1.00 15.00 C ATOM 395 CG LEU A 453 10.202 -5.217 5.999 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.131 -6.205 6.688 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.654 -4.965 4.569 1.00 15.00 C ATOM 0 H LEU A 453 7.918 -2.697 5.430 1.00 15.00 H new ATOM 0 HA LEU A 453 7.945 -4.650 4.357 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.482 -5.925 7.064 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.718 -6.681 5.500 1.00 15.00 H new ATOM 0 HG LEU A 453 10.242 -4.272 6.541 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.152 -5.826 6.658 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.822 -6.333 7.725 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.086 -7.166 6.175 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.682 -4.602 4.571 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.598 -5.893 4.001 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.007 -4.218 4.109 1.00 15.00 H new ATOM 409 N GLU A 454 5.306 -4.534 5.588 1.00 15.00 N ATOM 410 CA GLU A 454 3.934 -4.988 5.814 1.00 15.00 C ATOM 411 C GLU A 454 3.077 -4.803 4.568 1.00 15.00 C ATOM 412 O GLU A 454 3.057 -3.727 3.976 1.00 15.00 O ATOM 413 CB GLU A 454 3.302 -4.225 6.979 1.00 15.00 C ATOM 414 CG GLU A 454 4.010 -4.425 8.310 1.00 15.00 C ATOM 415 CD GLU A 454 3.352 -3.650 9.434 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.250 -2.410 9.326 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.925 -4.276 10.424 1.00 15.00 O ATOM 0 H GLU A 454 5.407 -3.525 5.480 1.00 15.00 H new ATOM 0 HA GLU A 454 3.977 -6.050 6.054 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.294 -3.161 6.741 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.263 -4.537 7.082 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.017 -5.486 8.559 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.050 -4.112 8.216 1.00 15.00 H new ATOM 424 N SER A 455 2.358 -5.849 4.190 1.00 15.00 N ATOM 425 CA SER A 455 1.445 -5.779 3.059 1.00 15.00 C ATOM 426 C SER A 455 0.014 -5.551 3.551 1.00 15.00 C ATOM 427 O SER A 455 -0.547 -6.384 4.263 1.00 15.00 O ATOM 428 CB SER A 455 1.528 -7.070 2.241 1.00 15.00 C ATOM 429 OG SER A 455 2.873 -7.362 1.897 1.00 15.00 O ATOM 0 H SER A 455 2.389 -6.758 4.651 1.00 15.00 H new ATOM 0 HA SER A 455 1.731 -4.942 2.423 1.00 15.00 H new ATOM 0 HB2 SER A 455 1.107 -7.896 2.813 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.929 -6.971 1.335 1.00 15.00 H new ATOM 0 HG SER A 455 2.905 -8.191 1.376 1.00 15.00 H new ATOM 435 N TYR A 456 -0.560 -4.414 3.183 1.00 15.00 N ATOM 436 CA TYR A 456 -1.914 -4.065 3.599 1.00 15.00 C ATOM 437 C TYR A 456 -2.894 -4.312 2.461 1.00 15.00 C ATOM 438 O TYR A 456 -2.582 -4.052 1.299 1.00 15.00 O ATOM 439 CB TYR A 456 -1.991 -2.591 4.003 1.00 15.00 C ATOM 440 CG TYR A 456 -0.935 -2.150 4.989 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.116 -2.293 6.360 1.00 15.00 C ATOM 442 CD2 TYR A 456 0.241 -1.568 4.542 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.152 -1.865 7.255 1.00 15.00 C ATOM 444 CE2 TYR A 456 1.208 -1.145 5.428 1.00 15.00 C ATOM 445 CZ TYR A 456 1.011 -1.292 6.780 1.00 15.00 C ATOM 446 OH TYR A 456 1.976 -0.847 7.656 1.00 15.00 O ATOM 0 H TYR A 456 -0.108 -3.714 2.595 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.174 -4.689 4.454 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.909 -1.978 3.106 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -2.974 -2.397 4.433 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.023 -2.745 6.732 1.00 15.00 H new ATOM 0 HD2 TYR A 456 0.402 -1.444 3.481 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.308 -1.978 8.318 1.00 15.00 H new ATOM 0 HE2 TYR A 456 2.120 -0.698 5.060 1.00 15.00 H new ATOM 0 HH TYR A 456 2.085 -1.498 8.381 1.00 15.00 H new ATOM 456 N TRP A 457 -4.083 -4.787 2.790 1.00 15.00 N ATOM 457 CA TRP A 457 -5.120 -4.991 1.787 1.00 15.00 C ATOM 458 C TRP A 457 -5.973 -3.732 1.639 1.00 15.00 C ATOM 459 O TRP A 457 -6.779 -3.611 0.715 1.00 15.00 O ATOM 460 CB TRP A 457 -5.998 -6.193 2.146 1.00 15.00 C ATOM 461 CG TRP A 457 -5.251 -7.491 2.169 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.616 -8.056 3.238 1.00 15.00 C ATOM 463 CD2 TRP A 457 -5.053 -8.382 1.067 1.00 15.00 C ATOM 464 NE1 TRP A 457 -4.040 -9.246 2.869 1.00 15.00 N ATOM 465 CE2 TRP A 457 -4.294 -9.469 1.541 1.00 15.00 C ATOM 466 CE3 TRP A 457 -5.446 -8.371 -0.277 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.918 -10.529 0.721 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -5.074 -9.425 -1.089 1.00 15.00 C ATOM 469 CH2 TRP A 457 -4.317 -10.491 -0.587 1.00 15.00 C ATOM 0 H TRP A 457 -4.356 -5.039 3.740 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.635 -5.198 0.833 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.449 -6.025 3.124 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.814 -6.265 1.427 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.573 -7.629 4.229 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.509 -9.864 3.483 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -6.030 -7.553 -0.672 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.332 -11.352 1.104 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -5.372 -9.427 -2.127 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -4.042 -11.301 -1.247 1.00 15.00 H new ATOM 480 N GLU A 458 -5.805 -2.812 2.575 1.00 15.00 N ATOM 481 CA GLU A 458 -6.468 -1.521 2.524 1.00 15.00 C ATOM 482 C GLU A 458 -5.442 -0.426 2.262 1.00 15.00 C ATOM 483 O GLU A 458 -4.376 -0.401 2.880 1.00 15.00 O ATOM 484 CB GLU A 458 -7.225 -1.242 3.832 1.00 15.00 C ATOM 485 CG GLU A 458 -6.377 -1.368 5.095 1.00 15.00 C ATOM 486 CD GLU A 458 -6.246 -2.799 5.585 1.00 15.00 C ATOM 487 OE1 GLU A 458 -7.097 -3.229 6.393 1.00 15.00 O ATOM 488 OE2 GLU A 458 -5.296 -3.497 5.169 1.00 15.00 O ATOM 0 H GLU A 458 -5.206 -2.940 3.390 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.194 -1.534 1.711 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.641 -0.236 3.788 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -8.066 -1.932 3.904 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.383 -0.965 4.900 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.819 -0.759 5.884 1.00 15.00 H new ATOM 495 N LYS A 459 -5.757 0.481 1.351 1.00 15.00 N ATOM 496 CA LYS A 459 -4.825 1.539 0.998 1.00 15.00 C ATOM 497 C LYS A 459 -4.933 2.709 1.967 1.00 15.00 C ATOM 498 O LYS A 459 -6.028 3.195 2.259 1.00 15.00 O ATOM 499 CB LYS A 459 -5.057 2.025 -0.436 1.00 15.00 C ATOM 500 CG LYS A 459 -6.424 2.638 -0.678 1.00 15.00 C ATOM 501 CD LYS A 459 -6.525 3.247 -2.068 1.00 15.00 C ATOM 502 CE LYS A 459 -5.465 4.314 -2.293 1.00 15.00 C ATOM 503 NZ LYS A 459 -5.481 5.343 -1.220 1.00 15.00 N ATOM 0 H LYS A 459 -6.643 0.506 0.847 1.00 15.00 H new ATOM 0 HA LYS A 459 -3.820 1.123 1.064 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -4.293 2.762 -0.685 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -4.924 1.185 -1.117 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.192 1.874 -0.558 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.617 3.406 0.071 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -6.417 2.463 -2.818 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.515 3.683 -2.203 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -4.481 3.846 -2.333 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -5.630 4.793 -3.258 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -5.181 6.258 -1.612 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -6.444 5.429 -0.836 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -4.829 5.062 -0.460 1.00 15.00 H new ATOM 517 N PRO A 460 -3.787 3.179 2.463 1.00 15.00 N ATOM 518 CA PRO A 460 -3.720 4.353 3.340 1.00 15.00 C ATOM 519 C PRO A 460 -4.202 5.619 2.626 1.00 15.00 C ATOM 520 O PRO A 460 -4.092 5.739 1.398 1.00 15.00 O ATOM 521 CB PRO A 460 -2.234 4.449 3.691 1.00 15.00 C ATOM 522 CG PRO A 460 -1.537 3.718 2.598 1.00 15.00 C ATOM 523 CD PRO A 460 -2.456 2.604 2.212 1.00 15.00 C ATOM 0 HA PRO A 460 -4.361 4.259 4.216 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.906 5.487 3.744 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.027 3.999 4.662 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.339 4.375 1.751 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.574 3.334 2.935 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.329 2.318 1.168 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.282 1.710 2.811 1.00 15.00 H new ATOM 531 N GLN A 461 -4.723 6.563 3.398 1.00 15.00 N ATOM 532 CA GLN A 461 -5.366 7.745 2.837 1.00 15.00 C ATOM 533 C GLN A 461 -4.356 8.825 2.426 1.00 15.00 C ATOM 534 O GLN A 461 -4.683 9.720 1.646 1.00 15.00 O ATOM 535 CB GLN A 461 -6.381 8.311 3.835 1.00 15.00 C ATOM 536 CG GLN A 461 -7.277 9.403 3.266 1.00 15.00 C ATOM 537 CD GLN A 461 -8.023 8.963 2.020 1.00 15.00 C ATOM 538 OE1 GLN A 461 -8.314 7.781 1.833 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.356 9.915 1.166 1.00 15.00 N ATOM 0 H GLN A 461 -4.713 6.534 4.418 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.882 7.435 1.928 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.007 7.497 4.200 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.844 8.710 4.695 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.997 9.708 4.026 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -6.671 10.278 3.031 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.097 10.883 1.355 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.872 9.681 0.318 1.00 15.00 H new ATOM 548 N GLU A 462 -3.131 8.750 2.935 1.00 15.00 N ATOM 549 CA GLU A 462 -2.113 9.731 2.568 1.00 15.00 C ATOM 550 C GLU A 462 -1.403 9.313 1.283 1.00 15.00 C ATOM 551 O GLU A 462 -0.633 10.079 0.704 1.00 15.00 O ATOM 552 CB GLU A 462 -1.118 9.978 3.716 1.00 15.00 C ATOM 553 CG GLU A 462 -0.927 8.804 4.668 1.00 15.00 C ATOM 554 CD GLU A 462 -0.201 7.635 4.042 1.00 15.00 C ATOM 555 OE1 GLU A 462 -0.814 6.929 3.226 1.00 15.00 O ATOM 556 OE2 GLU A 462 0.981 7.410 4.386 1.00 15.00 O ATOM 0 H GLU A 462 -2.821 8.034 3.592 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.614 10.680 2.380 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.150 10.240 3.288 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -1.456 10.840 4.290 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -0.370 9.142 5.542 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.903 8.469 5.021 1.00 15.00 H new ATOM 563 N LEU A 463 -1.682 8.093 0.849 1.00 15.00 N ATOM 564 CA LEU A 463 -1.236 7.602 -0.447 1.00 15.00 C ATOM 565 C LEU A 463 -2.013 8.294 -1.569 1.00 15.00 C ATOM 566 O LEU A 463 -1.515 8.452 -2.683 1.00 15.00 O ATOM 567 CB LEU A 463 -1.412 6.079 -0.520 1.00 15.00 C ATOM 568 CG LEU A 463 -1.126 5.431 -1.879 1.00 15.00 C ATOM 569 CD1 LEU A 463 0.297 5.725 -2.334 1.00 15.00 C ATOM 570 CD2 LEU A 463 -1.359 3.930 -1.804 1.00 15.00 C ATOM 0 H LEU A 463 -2.224 7.415 1.385 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.178 7.833 -0.572 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.757 5.622 0.222 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.436 5.838 -0.234 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.810 5.858 -2.612 1.00 15.00 H new ATOM 0 HD11 LEU A 463 0.474 5.254 -3.301 1.00 15.00 H new ATOM 0 HD12 LEU A 463 0.435 6.802 -2.425 1.00 15.00 H new ATOM 0 HD13 LEU A 463 1.002 5.329 -1.603 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.153 3.481 -2.775 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.696 3.496 -1.055 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.395 3.736 -1.527 1.00 15.00 H new ATOM 582 N LYS A 464 -3.249 8.671 -1.266 1.00 15.00 N ATOM 583 CA LYS A 464 -4.122 9.319 -2.238 1.00 15.00 C ATOM 584 C LYS A 464 -3.603 10.723 -2.545 1.00 15.00 C ATOM 585 O LYS A 464 -3.476 11.528 -1.600 1.00 15.00 O ATOM 586 CB LYS A 464 -5.562 9.368 -1.694 1.00 15.00 C ATOM 587 CG LYS A 464 -6.632 9.748 -2.722 1.00 15.00 C ATOM 588 CD LYS A 464 -6.622 11.235 -3.052 1.00 15.00 C ATOM 589 CE LYS A 464 -6.869 12.083 -1.815 1.00 15.00 C ATOM 590 NZ LYS A 464 -6.688 13.532 -2.086 1.00 15.00 N ATOM 591 OXT LYS A 464 -3.350 11.022 -3.729 1.00 15.00 O ATOM 0 H LYS A 464 -3.672 8.538 -0.348 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.126 8.746 -3.165 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -5.810 8.391 -1.278 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -5.599 10.083 -0.872 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -6.473 9.175 -3.636 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.614 9.471 -2.339 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -5.662 11.504 -3.493 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -7.387 11.448 -3.799 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -7.881 11.906 -1.451 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -6.187 11.775 -1.023 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -6.866 14.073 -1.216 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -5.715 13.706 -2.409 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -7.356 13.833 -2.824 1.00 15.00 H new