USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 294 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 Single : A 8 GLN : amide:sc= -0.136! C(o=-0.14!,f=-7.6!) USER MOD Single : A 22 THR OG1 : rot 12:sc= -0.314 USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0627 (180deg=-0.587) USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= 0.527 (180deg=-0.902) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 56:sc= 1.01 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= -0.0255 (180deg=-0.252) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N ILE A 6 3.207 5.959 9.116 1.00 0.00 N ATOM 65 CA ILE A 6 2.407 6.127 7.897 1.00 0.00 C ATOM 66 C ILE A 6 1.234 7.086 8.151 1.00 0.00 C ATOM 67 O ILE A 6 0.841 7.843 7.264 1.00 0.00 O ATOM 68 CB ILE A 6 1.906 4.738 7.437 1.00 0.00 C ATOM 69 CG1 ILE A 6 2.938 4.098 6.491 1.00 0.00 C ATOM 70 CG2 ILE A 6 0.556 4.844 6.713 1.00 0.00 C ATOM 71 CD1 ILE A 6 4.314 4.067 7.162 1.00 0.00 C ATOM 0 HA ILE A 6 3.019 6.565 7.109 1.00 0.00 H new ATOM 0 HB ILE A 6 1.776 4.118 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.628 3.086 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.991 4.663 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.231 3.851 6.402 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.185 5.274 7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.663 5.482 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.038 3.613 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.627 5.084 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.258 3.482 8.080 1.00 0.00 H new ATOM 83 N TRP A 7 0.675 7.035 9.354 1.00 0.00 N ATOM 84 CA TRP A 7 -0.456 7.892 9.700 1.00 0.00 C ATOM 85 C TRP A 7 -0.056 9.354 9.637 1.00 0.00 C ATOM 86 O TRP A 7 -0.729 10.159 9.013 1.00 0.00 O ATOM 87 CB TRP A 7 -0.929 7.568 11.127 1.00 0.00 C ATOM 88 CG TRP A 7 -1.842 6.393 11.111 1.00 0.00 C ATOM 89 CD1 TRP A 7 -1.528 5.155 11.544 1.00 0.00 C ATOM 90 CD2 TRP A 7 -3.215 6.340 10.650 1.00 0.00 C ATOM 91 NE1 TRP A 7 -2.635 4.335 11.377 1.00 0.00 N ATOM 92 CE2 TRP A 7 -3.701 5.026 10.824 1.00 0.00 C ATOM 93 CE3 TRP A 7 -4.076 7.304 10.100 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -5.003 4.680 10.463 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -5.384 6.961 9.736 1.00 0.00 C ATOM 96 CH2 TRP A 7 -5.847 5.654 9.915 1.00 0.00 C ATOM 0 H TRP A 7 0.983 6.414 10.103 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.259 7.709 8.986 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.070 7.361 11.765 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.442 8.431 11.553 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.575 4.853 11.952 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.661 3.347 11.630 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.727 8.316 9.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.357 3.670 10.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.038 7.710 9.315 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.856 5.395 9.630 1.00 0.00 H new ATOM 107 N GLN A 8 1.048 9.686 10.270 1.00 0.00 N ATOM 108 CA GLN A 8 1.510 11.061 10.269 1.00 0.00 C ATOM 109 C GLN A 8 1.859 11.465 8.853 1.00 0.00 C ATOM 110 O GLN A 8 1.586 12.584 8.432 1.00 0.00 O ATOM 111 CB GLN A 8 2.731 11.200 11.182 1.00 0.00 C ATOM 112 CG GLN A 8 2.300 11.154 12.648 1.00 0.00 C ATOM 113 CD GLN A 8 1.934 9.728 13.023 1.00 0.00 C ATOM 114 OE1 GLN A 8 2.219 8.794 12.274 1.00 0.00 O ATOM 115 NE2 GLN A 8 1.327 9.502 14.144 1.00 0.00 N ATOM 0 H GLN A 8 1.638 9.034 10.787 1.00 0.00 H new ATOM 0 HA GLN A 8 0.723 11.715 10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.440 10.398 10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.244 12.139 10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.106 11.514 13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.447 11.814 12.809 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.092 10.278 14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.084 8.548 14.409 1.00 0.00 H new ATOM 124 N LEU A 9 2.445 10.540 8.123 1.00 0.00 N ATOM 125 CA LEU A 9 2.819 10.789 6.745 1.00 0.00 C ATOM 126 C LEU A 9 1.587 11.049 5.894 1.00 0.00 C ATOM 127 O LEU A 9 1.606 11.878 4.988 1.00 0.00 O ATOM 128 CB LEU A 9 3.578 9.584 6.196 1.00 0.00 C ATOM 129 CG LEU A 9 5.043 9.602 6.663 1.00 0.00 C ATOM 130 CD1 LEU A 9 5.839 10.664 5.890 1.00 0.00 C ATOM 131 CD2 LEU A 9 5.115 9.899 8.169 1.00 0.00 C ATOM 0 H LEU A 9 2.674 9.605 8.461 1.00 0.00 H new ATOM 0 HA LEU A 9 3.457 11.672 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.097 8.664 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.539 9.589 5.107 1.00 0.00 H new ATOM 0 HG LEU A 9 5.478 8.622 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.874 10.664 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.809 10.437 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.399 11.646 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.157 9.909 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.664 10.871 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.575 9.128 8.718 1.00 0.00 H new ATOM 143 N LEU A 10 0.538 10.301 6.167 1.00 0.00 N ATOM 144 CA LEU A 10 -0.689 10.425 5.395 1.00 0.00 C ATOM 145 C LEU A 10 -1.304 11.809 5.571 1.00 0.00 C ATOM 146 O LEU A 10 -1.592 12.492 4.592 1.00 0.00 O ATOM 147 CB LEU A 10 -1.687 9.348 5.872 1.00 0.00 C ATOM 148 CG LEU A 10 -1.444 8.011 5.145 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.970 6.849 5.995 1.00 0.00 C ATOM 150 CD2 LEU A 10 -2.192 8.013 3.813 1.00 0.00 C ATOM 0 H LEU A 10 0.506 9.604 6.911 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.461 10.287 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.587 9.205 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.707 9.686 5.689 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.374 7.891 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.794 5.908 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.451 6.835 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.039 6.976 6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.021 7.068 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.259 8.139 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.830 8.834 3.194 1.00 0.00 H new ATOM 162 N ILE A 11 -1.471 12.234 6.806 1.00 0.00 N ATOM 163 CA ILE A 11 -2.018 13.555 7.058 1.00 0.00 C ATOM 164 C ILE A 11 -1.037 14.600 6.562 1.00 0.00 C ATOM 165 O ILE A 11 -1.418 15.571 5.920 1.00 0.00 O ATOM 166 CB ILE A 11 -2.306 13.767 8.555 1.00 0.00 C ATOM 167 CG1 ILE A 11 -3.523 12.923 8.990 1.00 0.00 C ATOM 168 CG2 ILE A 11 -2.590 15.251 8.825 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.090 11.483 9.265 1.00 0.00 C ATOM 0 H ILE A 11 -1.241 11.695 7.641 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.964 13.649 6.524 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.433 13.453 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.973 13.353 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.285 12.940 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.793 15.395 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.723 15.846 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.456 15.567 8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.955 10.895 9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.661 11.053 8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.345 11.473 10.060 1.00 0.00 H new ATOM 181 N ILE A 12 0.230 14.396 6.866 1.00 0.00 N ATOM 182 CA ILE A 12 1.239 15.333 6.454 1.00 0.00 C ATOM 183 C ILE A 12 1.340 15.404 4.943 1.00 0.00 C ATOM 184 O ILE A 12 1.421 16.491 4.381 1.00 0.00 O ATOM 185 CB ILE A 12 2.580 14.920 7.062 1.00 0.00 C ATOM 186 CG1 ILE A 12 2.561 15.202 8.569 1.00 0.00 C ATOM 187 CG2 ILE A 12 3.720 15.676 6.395 1.00 0.00 C ATOM 188 CD1 ILE A 12 3.737 14.491 9.239 1.00 0.00 C ATOM 0 H ILE A 12 0.577 13.594 7.393 1.00 0.00 H new ATOM 0 HA ILE A 12 0.965 16.327 6.809 1.00 0.00 H new ATOM 0 HB ILE A 12 2.737 13.854 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.622 16.275 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.621 14.859 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.668 15.371 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.730 15.452 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.580 16.747 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.722 14.693 10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.657 13.417 9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.672 14.856 8.814 1.00 0.00 H new ATOM 200 N ALA A 13 1.342 14.254 4.302 1.00 0.00 N ATOM 201 CA ALA A 13 1.448 14.206 2.855 1.00 0.00 C ATOM 202 C ALA A 13 0.231 14.838 2.191 1.00 0.00 C ATOM 203 O ALA A 13 0.354 15.509 1.171 1.00 0.00 O ATOM 204 CB ALA A 13 1.605 12.754 2.401 1.00 0.00 C ATOM 0 H ALA A 13 1.272 13.343 4.755 1.00 0.00 H new ATOM 0 HA ALA A 13 2.325 14.778 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.684 12.719 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.506 12.329 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.737 12.177 2.720 1.00 0.00 H new ATOM 210 N VAL A 14 -0.942 14.626 2.767 1.00 0.00 N ATOM 211 CA VAL A 14 -2.160 15.189 2.200 1.00 0.00 C ATOM 212 C VAL A 14 -2.163 16.700 2.324 1.00 0.00 C ATOM 213 O VAL A 14 -2.494 17.395 1.376 1.00 0.00 O ATOM 214 CB VAL A 14 -3.386 14.582 2.897 1.00 0.00 C ATOM 215 CG1 VAL A 14 -4.659 15.314 2.450 1.00 0.00 C ATOM 216 CG2 VAL A 14 -3.494 13.087 2.536 1.00 0.00 C ATOM 0 H VAL A 14 -1.078 14.076 3.615 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.201 14.943 1.139 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.275 14.689 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.524 14.877 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.583 16.369 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.775 15.216 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.364 12.655 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.600 12.980 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.594 12.567 2.866 1.00 0.00 H new ATOM 226 N ILE A 15 -1.772 17.196 3.485 1.00 0.00 N ATOM 227 CA ILE A 15 -1.718 18.626 3.728 1.00 0.00 C ATOM 228 C ILE A 15 -0.662 19.236 2.861 1.00 0.00 C ATOM 229 O ILE A 15 -0.851 20.290 2.264 1.00 0.00 O ATOM 230 CB ILE A 15 -1.404 18.887 5.192 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.563 18.356 6.015 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.234 20.406 5.472 1.00 0.00 C ATOM 233 CD1 ILE A 15 -2.178 18.377 7.491 1.00 0.00 C ATOM 0 H ILE A 15 -1.485 16.624 4.279 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.683 19.073 3.489 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.469 18.392 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.452 18.965 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.810 17.341 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.010 20.559 6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.416 20.798 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.156 20.928 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.006 17.997 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.300 17.750 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.952 19.399 7.794 1.00 0.00 H new ATOM 245 N VAL A 16 0.458 18.562 2.804 1.00 0.00 N ATOM 246 CA VAL A 16 1.558 19.046 2.032 1.00 0.00 C ATOM 247 C VAL A 16 1.185 19.090 0.602 1.00 0.00 C ATOM 248 O VAL A 16 1.527 20.030 -0.086 1.00 0.00 O ATOM 249 CB VAL A 16 2.783 18.113 2.232 1.00 0.00 C ATOM 250 CG1 VAL A 16 3.643 18.010 0.965 1.00 0.00 C ATOM 251 CG2 VAL A 16 3.678 18.621 3.357 1.00 0.00 C ATOM 0 H VAL A 16 0.626 17.678 3.285 1.00 0.00 H new ATOM 0 HA VAL A 16 1.816 20.052 2.361 1.00 0.00 H new ATOM 0 HB VAL A 16 2.377 17.131 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.488 17.347 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.042 17.610 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.011 18.999 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.528 17.950 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.036 19.621 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.110 18.656 4.287 1.00 0.00 H new ATOM 261 N VAL A 17 0.522 18.092 0.123 1.00 0.00 N ATOM 262 CA VAL A 17 0.218 18.109 -1.262 1.00 0.00 C ATOM 263 C VAL A 17 -0.744 19.214 -1.637 1.00 0.00 C ATOM 264 O VAL A 17 -0.477 19.968 -2.565 1.00 0.00 O ATOM 265 CB VAL A 17 -0.271 16.726 -1.690 1.00 0.00 C ATOM 266 CG1 VAL A 17 -0.560 16.758 -3.163 1.00 0.00 C ATOM 267 CG2 VAL A 17 0.814 15.669 -1.446 1.00 0.00 C ATOM 0 H VAL A 17 0.192 17.283 0.649 1.00 0.00 H new ATOM 0 HA VAL A 17 1.130 18.338 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.160 16.473 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.911 15.778 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.328 17.504 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.349 17.016 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.446 14.691 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.704 15.922 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.064 15.642 -0.385 1.00 0.00 H new ATOM 277 N LEU A 18 -1.830 19.354 -0.929 1.00 0.00 N ATOM 278 CA LEU A 18 -2.764 20.421 -1.275 1.00 0.00 C ATOM 279 C LEU A 18 -2.172 21.804 -1.023 1.00 0.00 C ATOM 280 O LEU A 18 -2.301 22.705 -1.848 1.00 0.00 O ATOM 281 CB LEU A 18 -4.082 20.246 -0.526 1.00 0.00 C ATOM 282 CG LEU A 18 -3.817 19.933 0.973 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.979 21.188 1.827 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.776 18.821 1.434 1.00 0.00 C ATOM 0 H LEU A 18 -2.096 18.773 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.961 20.348 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.681 21.153 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.659 19.438 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.790 19.589 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.789 20.944 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.270 21.947 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.994 21.570 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.595 18.597 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.806 19.153 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.607 17.924 0.838 1.00 0.00 H new ATOM 296 N LEU A 19 -1.528 21.964 0.119 1.00 0.00 N ATOM 297 CA LEU A 19 -0.916 23.235 0.483 1.00 0.00 C ATOM 298 C LEU A 19 0.252 23.595 -0.450 1.00 0.00 C ATOM 299 O LEU A 19 0.424 24.764 -0.789 1.00 0.00 O ATOM 300 CB LEU A 19 -0.518 23.224 1.965 1.00 0.00 C ATOM 301 CG LEU A 19 0.935 22.769 2.142 1.00 0.00 C ATOM 302 CD1 LEU A 19 1.927 23.913 1.844 1.00 0.00 C ATOM 303 CD2 LEU A 19 1.146 22.262 3.573 1.00 0.00 C ATOM 0 H LEU A 19 -1.413 21.227 0.815 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.652 24.028 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.644 24.221 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.181 22.558 2.518 1.00 0.00 H new ATOM 0 HG LEU A 19 1.125 21.965 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.947 23.554 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.795 24.251 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.741 24.743 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.180 21.939 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.930 23.064 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.478 21.422 3.763 1.00 0.00 H new ATOM 315 N PHE A 20 1.061 22.609 -0.861 1.00 0.00 N ATOM 316 CA PHE A 20 2.194 22.923 -1.747 1.00 0.00 C ATOM 317 C PHE A 20 1.649 23.354 -3.095 1.00 0.00 C ATOM 318 O PHE A 20 2.129 24.316 -3.697 1.00 0.00 O ATOM 319 CB PHE A 20 3.159 21.719 -1.928 1.00 0.00 C ATOM 320 CG PHE A 20 4.315 21.810 -0.935 1.00 0.00 C ATOM 321 CD1 PHE A 20 4.101 21.635 0.436 1.00 0.00 C ATOM 322 CD2 PHE A 20 5.599 22.097 -1.395 1.00 0.00 C ATOM 323 CE1 PHE A 20 5.164 21.748 1.335 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.667 22.207 -0.500 1.00 0.00 C ATOM 325 CZ PHE A 20 6.450 22.034 0.869 1.00 0.00 C ATOM 0 H PHE A 20 0.962 21.626 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 20 2.772 23.725 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.617 20.785 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.546 21.705 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.109 21.412 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.770 22.236 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.992 21.614 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.659 22.426 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.272 22.121 1.564 1.00 0.00 H new ATOM 335 N GLY A 21 0.628 22.664 -3.544 1.00 0.00 N ATOM 336 CA GLY A 21 -0.016 22.992 -4.809 1.00 0.00 C ATOM 337 C GLY A 21 0.299 21.949 -5.845 1.00 0.00 C ATOM 338 O GLY A 21 0.064 22.143 -7.038 1.00 0.00 O ATOM 0 H GLY A 21 0.219 21.868 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.095 23.059 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.322 23.969 -5.154 1.00 0.00 H new ATOM 342 N THR A 22 0.807 20.834 -5.367 1.00 0.00 N ATOM 343 CA THR A 22 1.128 19.721 -6.239 1.00 0.00 C ATOM 344 C THR A 22 1.989 20.128 -7.392 1.00 0.00 C ATOM 345 O THR A 22 1.812 19.663 -8.519 1.00 0.00 O ATOM 346 CB THR A 22 -0.162 19.116 -6.736 1.00 0.00 C ATOM 347 OG1 THR A 22 -0.873 20.070 -7.516 1.00 0.00 O ATOM 348 CG2 THR A 22 -0.995 18.698 -5.516 1.00 0.00 C ATOM 0 H THR A 22 1.007 20.672 -4.380 1.00 0.00 H new ATOM 0 HA THR A 22 1.701 18.990 -5.668 1.00 0.00 H new ATOM 0 HB THR A 22 0.042 18.247 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.290 20.833 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.934 18.257 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.439 17.966 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.204 19.573 -4.901 1.00 0.00 H new ATOM 356 N LYS A 23 2.925 21.001 -7.101 1.00 0.00 N ATOM 357 CA LYS A 23 3.833 21.496 -8.106 1.00 0.00 C ATOM 358 C LYS A 23 5.256 21.009 -7.843 1.00 0.00 C ATOM 359 O LYS A 23 5.978 20.644 -8.770 1.00 0.00 O ATOM 360 CB LYS A 23 3.764 23.016 -8.072 1.00 0.00 C ATOM 361 CG LYS A 23 4.741 23.613 -9.061 1.00 0.00 C ATOM 362 CD LYS A 23 4.741 25.120 -8.873 1.00 0.00 C ATOM 363 CE LYS A 23 5.718 25.739 -9.869 1.00 0.00 C ATOM 364 NZ LYS A 23 7.102 25.285 -9.543 1.00 0.00 N ATOM 0 H LYS A 23 3.077 21.385 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 23 3.549 21.124 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.752 23.345 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.990 23.374 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.741 23.209 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.455 23.357 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.739 25.520 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.030 25.373 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.456 25.445 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.659 26.827 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.790 25.955 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.219 25.242 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.262 24.341 -9.949 1.00 0.00 H new ATOM 378 N LYS A 24 5.656 21.021 -6.582 1.00 0.00 N ATOM 379 CA LYS A 24 6.998 20.589 -6.211 1.00 0.00 C ATOM 380 C LYS A 24 7.176 19.107 -6.430 1.00 0.00 C ATOM 381 O LYS A 24 8.083 18.687 -7.128 1.00 0.00 O ATOM 382 CB LYS A 24 7.234 20.910 -4.726 1.00 0.00 C ATOM 383 CG LYS A 24 7.822 22.322 -4.533 1.00 0.00 C ATOM 384 CD LYS A 24 7.094 23.399 -5.357 1.00 0.00 C ATOM 385 CE LYS A 24 5.714 23.669 -4.757 1.00 0.00 C ATOM 386 NZ LYS A 24 5.861 24.323 -3.425 1.00 0.00 N ATOM 0 H LYS A 24 5.075 21.323 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 24 7.716 21.117 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.292 20.831 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.912 20.172 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.774 22.587 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.876 22.311 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.681 24.318 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.993 23.071 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.136 24.308 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.163 22.734 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.348 23.771 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.868 24.370 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.469 25.286 -3.466 1.00 0.00 H new ATOM 400 N LEU A 25 6.322 18.323 -5.817 1.00 0.00 N ATOM 401 CA LEU A 25 6.442 16.888 -5.933 1.00 0.00 C ATOM 402 C LEU A 25 6.482 16.491 -7.383 1.00 0.00 C ATOM 403 O LEU A 25 7.168 15.561 -7.779 1.00 0.00 O ATOM 404 CB LEU A 25 5.302 16.164 -5.230 1.00 0.00 C ATOM 405 CG LEU A 25 4.783 17.064 -4.085 1.00 0.00 C ATOM 406 CD1 LEU A 25 3.679 17.976 -4.602 1.00 0.00 C ATOM 407 CD2 LEU A 25 4.211 16.236 -2.944 1.00 0.00 C ATOM 0 H LEU A 25 5.546 18.648 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 25 7.372 16.595 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.499 15.947 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.647 15.208 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 25 5.629 17.647 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.318 18.607 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.071 18.603 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.857 17.371 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.855 16.899 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.381 15.633 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.986 15.582 -2.545 1.00 0.00 H new ATOM 463 N SER A 30 9.857 14.136 -9.844 1.00 0.00 N ATOM 464 CA SER A 30 10.125 13.587 -11.166 1.00 0.00 C ATOM 465 C SER A 30 11.545 13.064 -11.279 1.00 0.00 C ATOM 466 O SER A 30 11.780 12.021 -11.888 1.00 0.00 O ATOM 467 CB SER A 30 9.872 14.641 -12.249 1.00 0.00 C ATOM 468 OG SER A 30 10.102 14.063 -13.528 1.00 0.00 O ATOM 0 HA SER A 30 9.443 12.750 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.848 15.010 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.530 15.497 -12.100 1.00 0.00 H new ATOM 0 HG SER A 30 9.940 14.734 -14.224 1.00 0.00 H new ATOM 474 N ASP A 31 12.491 13.774 -10.690 1.00 0.00 N ATOM 475 CA ASP A 31 13.881 13.346 -10.730 1.00 0.00 C ATOM 476 C ASP A 31 14.181 12.546 -9.482 1.00 0.00 C ATOM 477 O ASP A 31 14.962 11.594 -9.496 1.00 0.00 O ATOM 478 CB ASP A 31 14.800 14.566 -10.797 1.00 0.00 C ATOM 479 CG ASP A 31 14.718 15.205 -12.180 1.00 0.00 C ATOM 480 OD1 ASP A 31 14.203 14.563 -13.081 1.00 0.00 O ATOM 481 OD2 ASP A 31 15.173 16.329 -12.319 1.00 0.00 O ATOM 0 H ASP A 31 12.326 14.643 -10.182 1.00 0.00 H new ATOM 0 HA ASP A 31 14.051 12.731 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.513 15.290 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.827 14.270 -10.584 1.00 0.00 H new ATOM 486 N LEU A 32 13.557 12.971 -8.398 1.00 0.00 N ATOM 487 CA LEU A 32 13.749 12.334 -7.114 1.00 0.00 C ATOM 488 C LEU A 32 13.027 10.989 -7.045 1.00 0.00 C ATOM 489 O LEU A 32 13.609 9.979 -6.671 1.00 0.00 O ATOM 490 CB LEU A 32 13.242 13.283 -6.032 1.00 0.00 C ATOM 491 CG LEU A 32 14.003 13.093 -4.726 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.936 11.626 -4.297 1.00 0.00 C ATOM 493 CD2 LEU A 32 15.476 13.545 -4.879 1.00 0.00 C ATOM 0 H LEU A 32 12.910 13.759 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 32 14.809 12.128 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.349 14.314 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.179 13.111 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 32 13.539 13.710 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.482 11.495 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.895 11.336 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.383 11.000 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.001 13.401 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.959 12.954 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.506 14.599 -5.153 1.00 0.00 H new ATOM 505 N GLY A 33 11.761 10.981 -7.427 1.00 0.00 N ATOM 506 CA GLY A 33 10.981 9.748 -7.409 1.00 0.00 C ATOM 507 C GLY A 33 11.614 8.740 -8.351 1.00 0.00 C ATOM 508 O GLY A 33 11.745 7.558 -8.033 1.00 0.00 O ATOM 0 H GLY A 33 11.252 11.804 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.942 9.343 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.953 9.950 -7.711 1.00 0.00 H new ATOM 512 N ALA A 34 12.009 9.237 -9.510 1.00 0.00 N ATOM 513 CA ALA A 34 12.644 8.418 -10.524 1.00 0.00 C ATOM 514 C ALA A 34 13.987 7.888 -10.034 1.00 0.00 C ATOM 515 O ALA A 34 14.354 6.753 -10.325 1.00 0.00 O ATOM 516 CB ALA A 34 12.842 9.225 -11.803 1.00 0.00 C ATOM 0 H ALA A 34 11.899 10.216 -9.773 1.00 0.00 H new ATOM 0 HA ALA A 34 11.993 7.569 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.320 8.600 -12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.874 9.564 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.474 10.088 -11.594 1.00 0.00 H new ATOM 522 N SER A 35 14.738 8.717 -9.319 1.00 0.00 N ATOM 523 CA SER A 35 16.051 8.291 -8.843 1.00 0.00 C ATOM 524 C SER A 35 15.921 7.118 -7.886 1.00 0.00 C ATOM 525 O SER A 35 16.696 6.165 -7.947 1.00 0.00 O ATOM 526 CB SER A 35 16.763 9.455 -8.149 1.00 0.00 C ATOM 527 OG SER A 35 17.041 10.473 -9.102 1.00 0.00 O ATOM 0 H SER A 35 14.470 9.667 -9.060 1.00 0.00 H new ATOM 0 HA SER A 35 16.641 7.973 -9.703 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.139 9.852 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.689 9.108 -7.690 1.00 0.00 H new ATOM 0 HG SER A 35 16.208 10.749 -9.539 1.00 0.00 H new ATOM 533 N ILE A 36 14.934 7.185 -7.021 1.00 0.00 N ATOM 534 CA ILE A 36 14.692 6.117 -6.067 1.00 0.00 C ATOM 535 C ILE A 36 14.205 4.869 -6.768 1.00 0.00 C ATOM 536 O ILE A 36 14.584 3.766 -6.402 1.00 0.00 O ATOM 537 CB ILE A 36 13.688 6.589 -5.010 1.00 0.00 C ATOM 538 CG1 ILE A 36 14.430 7.315 -3.880 1.00 0.00 C ATOM 539 CG2 ILE A 36 12.926 5.398 -4.411 1.00 0.00 C ATOM 540 CD1 ILE A 36 15.415 8.347 -4.438 1.00 0.00 C ATOM 0 H ILE A 36 14.283 7.967 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 36 15.629 5.865 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 36 12.979 7.262 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.710 7.810 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.967 6.589 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.219 5.757 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.385 4.878 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.632 4.712 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.926 8.845 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.148 7.846 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.873 9.086 -5.028 1.00 0.00 H new ATOM 552 N LYS A 37 13.352 5.029 -7.753 1.00 0.00 N ATOM 553 CA LYS A 37 12.844 3.861 -8.433 1.00 0.00 C ATOM 554 C LYS A 37 14.032 3.113 -9.033 1.00 0.00 C ATOM 555 O LYS A 37 14.120 1.894 -8.942 1.00 0.00 O ATOM 556 CB LYS A 37 11.795 4.277 -9.505 1.00 0.00 C ATOM 557 CG LYS A 37 12.384 4.217 -10.923 1.00 0.00 C ATOM 558 CD LYS A 37 11.365 4.730 -11.947 1.00 0.00 C ATOM 559 CE LYS A 37 10.280 3.675 -12.191 1.00 0.00 C ATOM 560 NZ LYS A 37 9.539 4.016 -13.437 1.00 0.00 N ATOM 0 H LYS A 37 13.004 5.926 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 37 12.327 3.196 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.928 3.619 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.444 5.288 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.292 4.818 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.666 3.192 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.910 5.653 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.869 4.967 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.730 2.686 -12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.595 3.638 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.801 3.303 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.099 4.953 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.199 4.030 -14.241 1.00 0.00 H new ATOM 574 N GLY A 38 14.959 3.867 -9.602 1.00 0.00 N ATOM 575 CA GLY A 38 16.160 3.282 -10.171 1.00 0.00 C ATOM 576 C GLY A 38 17.025 2.692 -9.063 1.00 0.00 C ATOM 577 O GLY A 38 17.667 1.657 -9.245 1.00 0.00 O ATOM 0 H GLY A 38 14.902 4.882 -9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.892 2.506 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.721 4.040 -10.717 1.00 0.00 H new ATOM 581 N PHE A 39 17.045 3.367 -7.911 1.00 0.00 N ATOM 582 CA PHE A 39 17.843 2.898 -6.789 1.00 0.00 C ATOM 583 C PHE A 39 17.219 1.658 -6.185 1.00 0.00 C ATOM 584 O PHE A 39 17.880 0.632 -6.038 1.00 0.00 O ATOM 585 CB PHE A 39 17.970 3.987 -5.723 1.00 0.00 C ATOM 586 CG PHE A 39 19.059 3.606 -4.747 1.00 0.00 C ATOM 587 CD1 PHE A 39 18.801 2.662 -3.747 1.00 0.00 C ATOM 588 CD2 PHE A 39 20.326 4.194 -4.845 1.00 0.00 C ATOM 589 CE1 PHE A 39 19.810 2.305 -2.844 1.00 0.00 C ATOM 590 CE2 PHE A 39 21.335 3.837 -3.942 1.00 0.00 C ATOM 591 CZ PHE A 39 21.077 2.892 -2.941 1.00 0.00 C ATOM 0 H PHE A 39 16.524 4.227 -7.737 1.00 0.00 H new ATOM 0 HA PHE A 39 18.839 2.653 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.203 4.944 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.023 4.111 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 39 17.824 2.209 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 39 20.525 4.923 -5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.610 1.576 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 39 22.312 4.290 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 39 21.855 2.616 -2.244 1.00 0.00 H new ATOM 601 N LYS A 40 15.941 1.749 -5.857 1.00 0.00 N ATOM 602 CA LYS A 40 15.240 0.612 -5.289 1.00 0.00 C ATOM 603 C LYS A 40 15.203 -0.534 -6.278 1.00 0.00 C ATOM 604 O LYS A 40 15.371 -1.693 -5.906 1.00 0.00 O ATOM 605 CB LYS A 40 13.815 1.006 -4.887 1.00 0.00 C ATOM 606 CG LYS A 40 13.861 1.734 -3.550 1.00 0.00 C ATOM 607 CD LYS A 40 12.469 2.261 -3.204 1.00 0.00 C ATOM 608 CE LYS A 40 12.542 3.097 -1.922 1.00 0.00 C ATOM 609 NZ LYS A 40 12.896 2.215 -0.774 1.00 0.00 N ATOM 0 H LYS A 40 15.374 2.589 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 40 15.777 0.289 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.372 1.647 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.186 0.119 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.210 1.059 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.571 2.559 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.084 2.867 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.777 1.430 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.286 3.886 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.585 3.585 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.716 2.718 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.317 1.352 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.902 1.959 -0.830 1.00 0.00 H new ATOM 623 N LYS A 41 14.989 -0.214 -7.537 1.00 0.00 N ATOM 624 CA LYS A 41 14.939 -1.248 -8.546 1.00 0.00 C ATOM 625 C LYS A 41 16.279 -1.965 -8.668 1.00 0.00 C ATOM 626 O LYS A 41 16.328 -3.176 -8.879 1.00 0.00 O ATOM 627 CB LYS A 41 14.543 -0.659 -9.903 1.00 0.00 C ATOM 628 CG LYS A 41 14.462 -1.778 -10.946 1.00 0.00 C ATOM 629 CD LYS A 41 13.926 -1.222 -12.270 1.00 0.00 C ATOM 630 CE LYS A 41 15.006 -0.398 -12.979 1.00 0.00 C ATOM 631 NZ LYS A 41 14.559 -0.090 -14.367 1.00 0.00 N ATOM 0 H LYS A 41 14.849 0.736 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 41 14.185 -1.973 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.581 -0.152 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.273 0.089 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.448 -2.216 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.811 -2.575 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.605 -2.042 -12.913 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.050 -0.601 -12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.193 0.526 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.945 -0.951 -13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.290 0.469 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.402 -0.977 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.673 0.453 -14.334 1.00 0.00 H new ATOM 645 N ALA A 42 17.359 -1.206 -8.556 1.00 0.00 N ATOM 646 CA ALA A 42 18.698 -1.773 -8.677 1.00 0.00 C ATOM 647 C ALA A 42 19.022 -2.715 -7.520 1.00 0.00 C ATOM 648 O ALA A 42 19.680 -3.738 -7.702 1.00 0.00 O ATOM 649 CB ALA A 42 19.728 -0.643 -8.722 1.00 0.00 C ATOM 0 H ALA A 42 17.337 -0.201 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 42 18.734 -2.353 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.728 -1.066 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.527 -0.001 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.664 -0.056 -7.806 1.00 0.00 H new