USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0287 (180deg=-0.356) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= -1.27 (180deg=-2.66!) USER MOD Single : A 13 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0466 (180deg=-0.462) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0479 (180deg=-0.433) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0448 (180deg=-0.464) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 120:sc= 1.31 USER MOD Single : A 32 THR OG1 : rot 51:sc= 1 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -0.0401 (180deg=-0.362) USER MOD Single : A 40 THR OG1 : rot 2:sc= 0.387 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0347 (180deg=-0.405) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.0863 (180deg=-0.839) USER MOD Single : A 56 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.92) USER MOD Single : A 57 MET CE :methyl 150:sc= -0.0319 (180deg=-0.524) USER MOD Single : A 60 LYS NZ :NH3+ 139:sc= 0.0579 (180deg=-1.12) USER MOD Single : A 61 GLN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0294 (180deg=-0.368) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.111 0.859 9.691 1.00 0.00 N ATOM 2 CA ALA A 1 -0.592 1.697 8.710 1.00 0.00 C ATOM 3 C ALA A 1 -1.211 0.807 7.645 1.00 0.00 C ATOM 4 O ALA A 1 -0.522 0.078 6.932 1.00 0.00 O ATOM 5 CB ALA A 1 0.400 2.667 8.076 1.00 0.00 C ATOM 0 H1 ALA A 1 0.537 1.464 10.422 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.563 0.203 10.134 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.858 0.317 9.212 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.381 2.266 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.117 3.291 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.837 3.298 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.190 2.105 7.577 1.00 0.00 H new ATOM 13 N THR A 2 -2.527 0.859 7.532 1.00 0.00 N ATOM 14 CA THR A 2 -3.188 0.037 6.521 1.00 0.00 C ATOM 15 C THR A 2 -4.129 0.916 5.713 1.00 0.00 C ATOM 16 O THR A 2 -4.842 1.762 6.249 1.00 0.00 O ATOM 17 CB THR A 2 -3.980 -1.077 7.200 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.885 -0.506 8.134 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.049 -2.043 7.930 1.00 0.00 C ATOM 0 H THR A 2 -3.144 1.437 8.102 1.00 0.00 H new ATOM 0 HA THR A 2 -2.443 -0.410 5.863 1.00 0.00 H new ATOM 0 HB THR A 2 -4.524 -1.630 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.397 -1.218 8.571 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.638 -2.827 8.405 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.357 -2.491 7.216 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.486 -1.501 8.690 1.00 0.00 H new ATOM 27 N VAL A 3 -4.144 0.716 4.407 1.00 0.00 N ATOM 28 CA VAL A 3 -5.052 1.511 3.584 1.00 0.00 C ATOM 29 C VAL A 3 -6.381 0.777 3.492 1.00 0.00 C ATOM 30 O VAL A 3 -6.449 -0.390 3.110 1.00 0.00 O ATOM 31 CB VAL A 3 -4.447 1.705 2.193 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.436 2.429 1.282 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.169 2.533 2.298 1.00 0.00 C ATOM 0 H VAL A 3 -3.566 0.041 3.905 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.209 2.494 4.028 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.220 0.725 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.992 2.561 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.349 1.839 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.674 3.405 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.741 2.669 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.401 3.507 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.451 2.015 2.935 1.00 0.00 H new ATOM 43 N LYS A 4 -7.453 1.463 3.849 1.00 0.00 N ATOM 44 CA LYS A 4 -8.760 0.812 3.805 1.00 0.00 C ATOM 45 C LYS A 4 -9.622 1.499 2.758 1.00 0.00 C ATOM 46 O LYS A 4 -10.283 2.502 3.023 1.00 0.00 O ATOM 47 CB LYS A 4 -9.423 0.925 5.175 1.00 0.00 C ATOM 48 CG LYS A 4 -8.626 0.157 6.229 1.00 0.00 C ATOM 49 CD LYS A 4 -9.327 0.179 7.589 1.00 0.00 C ATOM 50 CE LYS A 4 -9.400 1.588 8.176 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.008 1.532 9.513 1.00 0.00 N ATOM 0 H LYS A 4 -7.454 2.434 4.162 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.644 -0.240 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.498 1.974 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.439 0.535 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.492 -0.875 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.632 0.593 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.335 -0.222 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.795 -0.474 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.401 2.020 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.988 2.235 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.058 2.491 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.967 1.137 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.430 0.929 10.132 1.00 0.00 H new ATOM 65 N PHE A 5 -9.629 0.956 1.554 1.00 0.00 N ATOM 66 CA PHE A 5 -10.464 1.554 0.516 1.00 0.00 C ATOM 67 C PHE A 5 -11.829 0.884 0.531 1.00 0.00 C ATOM 68 O PHE A 5 -11.949 -0.336 0.633 1.00 0.00 O ATOM 69 CB PHE A 5 -9.784 1.410 -0.847 1.00 0.00 C ATOM 70 CG PHE A 5 -9.443 -0.026 -1.177 1.00 0.00 C ATOM 71 CD1 PHE A 5 -10.344 -0.814 -1.780 1.00 0.00 C ATOM 72 CD2 PHE A 5 -8.216 -0.498 -0.910 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.026 -2.076 -2.099 1.00 0.00 C ATOM 74 CE2 PHE A 5 -7.899 -1.760 -1.230 1.00 0.00 C ATOM 75 CZ PHE A 5 -8.804 -2.550 -1.822 1.00 0.00 C ATOM 0 H PHE A 5 -9.092 0.136 1.273 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.598 2.619 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.439 1.811 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.873 2.008 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -11.328 -0.431 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.484 0.139 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.755 -2.711 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.912 -2.141 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.549 -3.568 -2.076 1.00 0.00 H new ATOM 85 N LYS A 6 -12.874 1.686 0.442 1.00 0.00 N ATOM 86 CA LYS A 6 -14.217 1.113 0.492 1.00 0.00 C ATOM 87 C LYS A 6 -14.841 1.168 -0.892 1.00 0.00 C ATOM 88 O LYS A 6 -14.204 1.541 -1.876 1.00 0.00 O ATOM 89 CB LYS A 6 -15.065 1.915 1.476 1.00 0.00 C ATOM 90 CG LYS A 6 -14.424 1.930 2.862 1.00 0.00 C ATOM 91 CD LYS A 6 -15.295 2.716 3.839 1.00 0.00 C ATOM 92 CE LYS A 6 -14.687 2.706 5.240 1.00 0.00 C ATOM 93 NZ LYS A 6 -13.371 3.360 5.224 1.00 0.00 N ATOM 0 H LYS A 6 -12.831 2.700 0.338 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.166 0.075 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.181 2.936 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.064 1.483 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.293 0.909 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.432 2.378 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.402 3.744 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.295 2.284 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.349 3.221 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.588 1.680 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.087 3.592 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.670 2.718 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.424 4.233 4.661 1.00 0.00 H new ATOM 107 N TYR A 7 -16.106 0.797 -0.976 1.00 0.00 N ATOM 108 CA TYR A 7 -16.773 0.846 -2.275 1.00 0.00 C ATOM 109 C TYR A 7 -18.229 1.240 -2.072 1.00 0.00 C ATOM 110 O TYR A 7 -18.608 2.399 -2.238 1.00 0.00 O ATOM 111 CB TYR A 7 -16.657 -0.518 -2.953 1.00 0.00 C ATOM 112 CG TYR A 7 -17.321 -0.494 -4.311 1.00 0.00 C ATOM 113 CD1 TYR A 7 -16.849 0.312 -5.275 1.00 0.00 C ATOM 114 CD2 TYR A 7 -18.383 -1.274 -4.555 1.00 0.00 C ATOM 115 CE1 TYR A 7 -17.437 0.334 -6.478 1.00 0.00 C ATOM 116 CE2 TYR A 7 -18.971 -1.253 -5.758 1.00 0.00 C ATOM 117 CZ TYR A 7 -18.498 -0.449 -6.720 1.00 0.00 C ATOM 118 OH TYR A 7 -19.099 -0.426 -7.951 1.00 0.00 O ATOM 0 H TYR A 7 -16.678 0.470 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 7 -16.301 1.588 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -15.607 -0.789 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -17.121 -1.281 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -15.995 0.943 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -18.766 -1.921 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -17.056 0.983 -7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -19.826 -1.884 -5.953 1.00 0.00 H new ATOM 0 HH TYR A 7 -19.852 -1.053 -7.959 1.00 0.00 H new ATOM 128 N LYS A 8 -19.060 0.279 -1.710 1.00 0.00 N ATOM 129 CA LYS A 8 -20.466 0.608 -1.478 1.00 0.00 C ATOM 130 C LYS A 8 -20.769 0.463 0.004 1.00 0.00 C ATOM 131 O LYS A 8 -20.847 1.441 0.746 1.00 0.00 O ATOM 132 CB LYS A 8 -21.346 -0.333 -2.300 1.00 0.00 C ATOM 133 CG LYS A 8 -22.838 -0.082 -2.072 1.00 0.00 C ATOM 134 CD LYS A 8 -23.301 1.338 -2.418 1.00 0.00 C ATOM 135 CE LYS A 8 -23.206 1.658 -3.911 1.00 0.00 C ATOM 136 NZ LYS A 8 -21.829 1.995 -4.302 1.00 0.00 N ATOM 0 H LYS A 8 -18.806 -0.699 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 8 -20.670 1.634 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.117 -0.209 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.110 -1.365 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -23.409 -0.793 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.072 -0.283 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.333 1.466 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.698 2.055 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -23.551 0.802 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.867 2.491 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.845 2.772 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.292 2.290 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.375 1.162 -4.728 1.00 0.00 H new ATOM 150 N GLY A 9 -20.941 -0.770 0.447 1.00 0.00 N ATOM 151 CA GLY A 9 -21.242 -0.980 1.861 1.00 0.00 C ATOM 152 C GLY A 9 -20.281 -1.998 2.454 1.00 0.00 C ATOM 153 O GLY A 9 -20.580 -2.669 3.440 1.00 0.00 O ATOM 0 H GLY A 9 -20.882 -1.614 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.164 -0.037 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -22.269 -1.328 1.974 1.00 0.00 H new ATOM 157 N GLU A 10 -19.112 -2.121 1.850 1.00 0.00 N ATOM 158 CA GLU A 10 -18.137 -3.076 2.375 1.00 0.00 C ATOM 159 C GLU A 10 -16.819 -2.349 2.590 1.00 0.00 C ATOM 160 O GLU A 10 -16.680 -1.164 2.291 1.00 0.00 O ATOM 161 CB GLU A 10 -17.946 -4.216 1.375 1.00 0.00 C ATOM 162 CG GLU A 10 -19.249 -4.977 1.133 1.00 0.00 C ATOM 163 CD GLU A 10 -19.761 -5.603 2.419 1.00 0.00 C ATOM 164 OE1 GLU A 10 -19.006 -6.366 3.060 1.00 0.00 O ATOM 165 OE2 GLU A 10 -20.922 -5.337 2.798 1.00 0.00 O ATOM 0 H GLU A 10 -18.816 -1.596 1.027 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.489 -3.493 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.578 -3.815 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.186 -4.903 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.001 -4.299 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.087 -5.754 0.386 1.00 0.00 H new ATOM 172 N GLU A 11 -15.832 -3.056 3.109 1.00 0.00 N ATOM 173 CA GLU A 11 -14.542 -2.407 3.323 1.00 0.00 C ATOM 174 C GLU A 11 -13.436 -3.450 3.297 1.00 0.00 C ATOM 175 O GLU A 11 -13.542 -4.523 3.889 1.00 0.00 O ATOM 176 CB GLU A 11 -14.535 -1.622 4.637 1.00 0.00 C ATOM 177 CG GLU A 11 -14.621 -2.506 5.885 1.00 0.00 C ATOM 178 CD GLU A 11 -15.966 -3.206 6.007 1.00 0.00 C ATOM 179 OE1 GLU A 11 -16.975 -2.526 6.294 1.00 0.00 O ATOM 180 OE2 GLU A 11 -16.021 -4.441 5.817 1.00 0.00 O ATOM 0 H GLU A 11 -15.886 -4.037 3.382 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.366 -1.692 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.624 -1.025 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.373 -0.925 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.827 -3.252 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.450 -1.896 6.772 1.00 0.00 H new ATOM 187 N LEU A 12 -12.362 -3.139 2.593 1.00 0.00 N ATOM 188 CA LEU A 12 -11.254 -4.089 2.526 1.00 0.00 C ATOM 189 C LEU A 12 -10.027 -3.418 3.123 1.00 0.00 C ATOM 190 O LEU A 12 -10.001 -2.210 3.354 1.00 0.00 O ATOM 191 CB LEU A 12 -10.957 -4.496 1.081 1.00 0.00 C ATOM 192 CG LEU A 12 -12.015 -5.426 0.480 1.00 0.00 C ATOM 193 CD1 LEU A 12 -13.227 -4.659 -0.044 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.389 -6.183 -0.689 1.00 0.00 C ATOM 0 H LEU A 12 -12.229 -2.270 2.075 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.519 -4.991 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.882 -3.599 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.986 -4.990 1.043 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.352 -6.100 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.950 -5.361 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.689 -4.105 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.909 -3.962 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.130 -6.851 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.048 -5.472 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.541 -6.767 -0.332 1.00 0.00 H new ATOM 206 N GLN A 13 -8.992 -4.199 3.373 1.00 0.00 N ATOM 207 CA GLN A 13 -7.771 -3.604 3.913 1.00 0.00 C ATOM 208 C GLN A 13 -6.567 -4.297 3.294 1.00 0.00 C ATOM 209 O GLN A 13 -6.506 -5.521 3.189 1.00 0.00 O ATOM 210 CB GLN A 13 -7.744 -3.696 5.442 1.00 0.00 C ATOM 211 CG GLN A 13 -7.641 -5.127 5.975 1.00 0.00 C ATOM 212 CD GLN A 13 -8.896 -5.941 5.701 1.00 0.00 C ATOM 213 OE1 GLN A 13 -8.873 -6.950 4.998 1.00 0.00 O ATOM 214 NE2 GLN A 13 -10.011 -5.507 6.258 1.00 0.00 N ATOM 0 H GLN A 13 -8.963 -5.207 3.221 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.741 -2.545 3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.899 -3.118 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.648 -3.235 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.784 -5.621 5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.457 -5.099 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.999 -4.667 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.885 -6.012 6.110 1.00 0.00 H new ATOM 223 N VAL A 14 -5.602 -3.506 2.856 1.00 0.00 N ATOM 224 CA VAL A 14 -4.438 -4.097 2.201 1.00 0.00 C ATOM 225 C VAL A 14 -3.171 -3.574 2.860 1.00 0.00 C ATOM 226 O VAL A 14 -3.097 -2.431 3.307 1.00 0.00 O ATOM 227 CB VAL A 14 -4.449 -3.737 0.716 1.00 0.00 C ATOM 228 CG1 VAL A 14 -5.641 -4.395 0.026 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.514 -2.223 0.525 1.00 0.00 C ATOM 0 H VAL A 14 -5.594 -2.489 2.935 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.470 -5.182 2.300 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.525 -4.104 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.640 -4.132 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.570 -5.478 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.566 -4.046 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.521 -1.991 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.423 -1.837 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.645 -1.760 0.992 1.00 0.00 H new ATOM 239 N ASP A 15 -2.157 -4.418 2.922 1.00 0.00 N ATOM 240 CA ASP A 15 -0.909 -3.982 3.543 1.00 0.00 C ATOM 241 C ASP A 15 -0.044 -3.298 2.493 1.00 0.00 C ATOM 242 O ASP A 15 -0.040 -3.667 1.321 1.00 0.00 O ATOM 243 CB ASP A 15 -0.195 -5.203 4.118 1.00 0.00 C ATOM 244 CG ASP A 15 1.092 -4.807 4.822 1.00 0.00 C ATOM 245 OD1 ASP A 15 1.126 -3.729 5.454 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.079 -5.571 4.748 1.00 0.00 O ATOM 0 H ASP A 15 -2.163 -5.374 2.567 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.107 -3.274 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.853 -5.715 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.028 -5.908 3.317 1.00 0.00 H new ATOM 251 N ILE A 16 0.697 -2.286 2.907 1.00 0.00 N ATOM 252 CA ILE A 16 1.527 -1.572 1.940 1.00 0.00 C ATOM 253 C ILE A 16 2.698 -2.463 1.552 1.00 0.00 C ATOM 254 O ILE A 16 3.167 -2.455 0.415 1.00 0.00 O ATOM 255 CB ILE A 16 2.046 -0.256 2.531 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.934 0.781 2.715 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.080 0.349 1.581 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.091 0.537 3.966 1.00 0.00 C ATOM 0 H ILE A 16 0.746 -1.946 3.867 1.00 0.00 H new ATOM 0 HA ILE A 16 0.928 -1.333 1.061 1.00 0.00 H new ATOM 0 HB ILE A 16 2.473 -0.492 3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.377 1.775 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.286 0.770 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.452 1.285 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.909 -0.347 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.617 0.541 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.680 1.304 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.379 -0.444 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.730 0.577 4.848 1.00 0.00 H new ATOM 270 N SER A 17 3.191 -3.240 2.501 1.00 0.00 N ATOM 271 CA SER A 17 4.368 -4.054 2.206 1.00 0.00 C ATOM 272 C SER A 17 3.963 -5.369 1.557 1.00 0.00 C ATOM 273 O SER A 17 4.805 -6.166 1.144 1.00 0.00 O ATOM 274 CB SER A 17 5.117 -4.328 3.506 1.00 0.00 C ATOM 275 OG SER A 17 5.504 -3.099 4.106 1.00 0.00 O ATOM 0 H SER A 17 2.817 -3.328 3.446 1.00 0.00 H new ATOM 0 HA SER A 17 5.011 -3.515 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.483 -4.893 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.997 -4.940 3.308 1.00 0.00 H new ATOM 0 HG SER A 17 5.983 -3.280 4.942 1.00 0.00 H new ATOM 281 N LYS A 18 2.669 -5.616 1.457 1.00 0.00 N ATOM 282 CA LYS A 18 2.233 -6.879 0.865 1.00 0.00 C ATOM 283 C LYS A 18 1.968 -6.697 -0.622 1.00 0.00 C ATOM 284 O LYS A 18 1.573 -7.628 -1.323 1.00 0.00 O ATOM 285 CB LYS A 18 0.961 -7.344 1.568 1.00 0.00 C ATOM 286 CG LYS A 18 0.480 -8.664 0.968 1.00 0.00 C ATOM 287 CD LYS A 18 -0.838 -9.123 1.594 1.00 0.00 C ATOM 288 CE LYS A 18 -0.687 -9.453 3.078 1.00 0.00 C ATOM 289 NZ LYS A 18 0.315 -10.514 3.262 1.00 0.00 N ATOM 0 H LYS A 18 1.924 -4.990 1.763 1.00 0.00 H new ATOM 0 HA LYS A 18 3.015 -7.628 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.151 -7.468 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.184 -6.586 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.351 -8.549 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.240 -9.430 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.588 -8.342 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.204 -10.002 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.388 -8.561 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.646 -9.773 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.210 -10.930 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.176 -11.252 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.269 -10.111 3.165 1.00 0.00 H new ATOM 303 N ILE A 19 2.179 -5.494 -1.124 1.00 0.00 N ATOM 304 CA ILE A 19 1.921 -5.272 -2.545 1.00 0.00 C ATOM 305 C ILE A 19 3.126 -5.745 -3.344 1.00 0.00 C ATOM 306 O ILE A 19 4.264 -5.355 -3.090 1.00 0.00 O ATOM 307 CB ILE A 19 1.660 -3.787 -2.797 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.475 -3.327 -1.943 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.367 -3.574 -4.282 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.134 -1.853 -2.159 1.00 0.00 C ATOM 0 H ILE A 19 2.513 -4.684 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 19 1.040 -5.833 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 19 2.537 -3.200 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.397 -3.937 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.704 -3.493 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.180 -2.516 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.223 -3.900 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.488 -4.153 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.713 -1.579 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.995 -1.238 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.123 -1.689 -3.205 1.00 0.00 H new ATOM 322 N LYS A 20 2.877 -6.594 -4.327 1.00 0.00 N ATOM 323 CA LYS A 20 3.984 -7.074 -5.151 1.00 0.00 C ATOM 324 C LYS A 20 3.662 -6.806 -6.613 1.00 0.00 C ATOM 325 O LYS A 20 2.500 -6.719 -7.007 1.00 0.00 O ATOM 326 CB LYS A 20 4.170 -8.576 -4.934 1.00 0.00 C ATOM 327 CG LYS A 20 4.477 -8.922 -3.476 1.00 0.00 C ATOM 328 CD LYS A 20 5.823 -8.352 -3.031 1.00 0.00 C ATOM 329 CE LYS A 20 6.138 -8.798 -1.605 1.00 0.00 C ATOM 330 NZ LYS A 20 7.439 -8.255 -1.191 1.00 0.00 N ATOM 0 H LYS A 20 1.956 -6.957 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 20 4.903 -6.556 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.267 -9.100 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.981 -8.934 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.687 -8.531 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.482 -10.005 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.610 -8.687 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.800 -7.263 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.357 -8.455 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.153 -9.886 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.650 -8.561 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.180 -8.603 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.409 -7.216 -1.228 1.00 0.00 H new ATOM 344 N LYS A 21 4.701 -6.678 -7.422 1.00 0.00 N ATOM 345 CA LYS A 21 4.490 -6.444 -8.851 1.00 0.00 C ATOM 346 C LYS A 21 3.655 -5.190 -9.065 1.00 0.00 C ATOM 347 O LYS A 21 2.425 -5.223 -9.070 1.00 0.00 O ATOM 348 CB LYS A 21 3.814 -7.654 -9.492 1.00 0.00 C ATOM 349 CG LYS A 21 4.688 -8.898 -9.345 1.00 0.00 C ATOM 350 CD LYS A 21 4.098 -10.093 -10.095 1.00 0.00 C ATOM 351 CE LYS A 21 2.756 -10.535 -9.511 1.00 0.00 C ATOM 352 NZ LYS A 21 2.918 -10.912 -8.100 1.00 0.00 N ATOM 0 H LYS A 21 5.677 -6.730 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 21 5.459 -6.297 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.845 -7.826 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.628 -7.456 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.688 -8.688 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.793 -9.147 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.967 -9.832 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.800 -10.926 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.029 -9.728 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.364 -11.379 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.097 -11.472 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.784 -11.478 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.989 -10.054 -7.517 1.00 0.00 H new ATOM 366 N VAL A 22 4.327 -4.069 -9.254 1.00 0.00 N ATOM 367 CA VAL A 22 3.590 -2.828 -9.489 1.00 0.00 C ATOM 368 C VAL A 22 4.041 -2.227 -10.810 1.00 0.00 C ATOM 369 O VAL A 22 5.192 -2.360 -11.221 1.00 0.00 O ATOM 370 CB VAL A 22 3.851 -1.844 -8.345 1.00 0.00 C ATOM 371 CG1 VAL A 22 3.356 -2.427 -7.024 1.00 0.00 C ATOM 372 CG2 VAL A 22 5.342 -1.529 -8.227 1.00 0.00 C ATOM 0 H VAL A 22 5.343 -3.984 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 22 2.521 -3.036 -9.531 1.00 0.00 H new ATOM 0 HB VAL A 22 3.310 -0.924 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.547 -1.718 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.285 -2.621 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.881 -3.360 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.502 -0.828 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.894 -2.448 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.695 -1.085 -9.158 1.00 0.00 H new ATOM 382 N TRP A 23 3.131 -1.551 -11.489 1.00 0.00 N ATOM 383 CA TRP A 23 3.517 -0.927 -12.751 1.00 0.00 C ATOM 384 C TRP A 23 2.639 0.293 -12.990 1.00 0.00 C ATOM 385 O TRP A 23 1.474 0.337 -12.596 1.00 0.00 O ATOM 386 CB TRP A 23 3.381 -1.937 -13.890 1.00 0.00 C ATOM 387 CG TRP A 23 1.951 -2.393 -14.068 1.00 0.00 C ATOM 388 CD1 TRP A 23 1.002 -1.838 -14.929 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.334 -3.459 -13.467 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.198 -2.553 -14.859 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.068 -3.550 -13.934 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.819 -4.321 -12.579 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.747 -4.514 -13.516 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.996 -5.294 -12.147 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.270 -5.389 -12.611 1.00 0.00 C ATOM 0 H TRP A 23 2.159 -1.420 -11.208 1.00 0.00 H new ATOM 0 HA TRP A 23 4.558 -0.606 -12.709 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.738 -1.489 -14.817 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.015 -2.800 -13.688 1.00 0.00 H new ATOM 0 HD1 TRP A 23 1.171 -0.978 -15.560 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.065 -2.381 -15.369 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.834 -4.243 -12.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.757 -4.592 -13.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.352 -6.009 -11.420 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.910 -6.180 -12.249 1.00 0.00 H new ATOM 406 N ARG A 24 3.208 1.307 -13.618 1.00 0.00 N ATOM 407 CA ARG A 24 2.456 2.549 -13.789 1.00 0.00 C ATOM 408 C ARG A 24 2.175 2.792 -15.263 1.00 0.00 C ATOM 409 O ARG A 24 3.083 2.911 -16.085 1.00 0.00 O ATOM 410 CB ARG A 24 3.272 3.711 -13.226 1.00 0.00 C ATOM 411 CG ARG A 24 3.519 3.529 -11.729 1.00 0.00 C ATOM 412 CD ARG A 24 4.286 4.716 -11.150 1.00 0.00 C ATOM 413 NE ARG A 24 5.588 4.834 -11.802 1.00 0.00 N ATOM 414 CZ ARG A 24 6.400 5.810 -11.436 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.034 6.660 -10.496 1.00 0.00 N ATOM 416 NH2 ARG A 24 7.580 5.935 -12.014 1.00 0.00 N ATOM 0 H ARG A 24 4.151 1.305 -14.007 1.00 0.00 H new ATOM 0 HA ARG A 24 1.508 2.471 -13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.225 3.779 -13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.745 4.649 -13.400 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.566 3.420 -11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.081 2.611 -11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.714 5.633 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.418 4.585 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 24 5.866 4.174 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.122 6.565 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.663 7.412 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.864 5.279 -12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.208 6.688 -11.733 1.00 0.00 H new ATOM 430 N VAL A 25 0.902 2.889 -15.601 1.00 0.00 N ATOM 431 CA VAL A 25 0.548 3.224 -16.979 1.00 0.00 C ATOM 432 C VAL A 25 -0.461 4.361 -16.942 1.00 0.00 C ATOM 433 O VAL A 25 -0.741 4.938 -15.892 1.00 0.00 O ATOM 434 CB VAL A 25 -0.037 2.002 -17.689 1.00 0.00 C ATOM 435 CG1 VAL A 25 1.036 0.929 -17.850 1.00 0.00 C ATOM 436 CG2 VAL A 25 -1.218 1.434 -16.903 1.00 0.00 C ATOM 0 H VAL A 25 0.115 2.747 -14.968 1.00 0.00 H new ATOM 0 HA VAL A 25 1.434 3.533 -17.533 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.389 2.313 -18.673 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.611 0.062 -18.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.862 1.326 -18.441 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.403 0.631 -16.868 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.619 0.566 -17.426 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.884 1.137 -15.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.994 2.194 -16.813 1.00 0.00 H new ATOM 446 N GLY A 26 -1.014 4.702 -18.090 1.00 0.00 N ATOM 447 CA GLY A 26 -1.975 5.802 -18.107 1.00 0.00 C ATOM 448 C GLY A 26 -3.334 5.324 -17.620 1.00 0.00 C ATOM 449 O GLY A 26 -4.191 4.905 -18.396 1.00 0.00 O ATOM 0 H GLY A 26 -0.830 4.259 -18.990 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.619 6.614 -17.473 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.063 6.201 -19.117 1.00 0.00 H new ATOM 453 N LYS A 27 -3.545 5.394 -16.319 1.00 0.00 N ATOM 454 CA LYS A 27 -4.842 4.985 -15.792 1.00 0.00 C ATOM 455 C LYS A 27 -4.685 4.533 -14.351 1.00 0.00 C ATOM 456 O LYS A 27 -4.747 3.344 -14.042 1.00 0.00 O ATOM 457 CB LYS A 27 -5.410 3.842 -16.626 1.00 0.00 C ATOM 458 CG LYS A 27 -6.732 3.387 -16.018 1.00 0.00 C ATOM 459 CD LYS A 27 -7.342 2.244 -16.824 1.00 0.00 C ATOM 460 CE LYS A 27 -8.665 1.802 -16.204 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.435 1.270 -14.852 1.00 0.00 N ATOM 0 H LYS A 27 -2.868 5.716 -15.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.527 5.832 -15.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.562 4.167 -17.655 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.704 3.012 -16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.571 3.065 -14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.428 4.225 -15.985 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.504 2.563 -17.854 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.649 1.403 -16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.355 2.645 -16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.132 1.041 -16.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.255 0.703 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.584 0.673 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.303 2.058 -14.187 1.00 0.00 H new ATOM 475 N MET A 28 -4.487 5.490 -13.460 1.00 0.00 N ATOM 476 CA MET A 28 -4.399 5.152 -12.038 1.00 0.00 C ATOM 477 C MET A 28 -3.243 4.193 -11.791 1.00 0.00 C ATOM 478 O MET A 28 -2.489 3.836 -12.696 1.00 0.00 O ATOM 479 CB MET A 28 -5.718 4.539 -11.563 1.00 0.00 C ATOM 480 CG MET A 28 -6.897 5.458 -11.877 1.00 0.00 C ATOM 481 SD MET A 28 -6.638 7.057 -11.092 1.00 0.00 S ATOM 482 CE MET A 28 -8.129 7.893 -11.659 1.00 0.00 C ATOM 0 H MET A 28 -4.386 6.481 -13.680 1.00 0.00 H new ATOM 0 HA MET A 28 -4.214 6.064 -11.470 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.868 3.573 -12.045 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.672 4.356 -10.489 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.998 5.582 -12.955 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.825 5.012 -11.520 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.146 8.911 -11.269 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.138 7.922 -12.749 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.007 7.353 -11.303 1.00 0.00 H new ATOM 492 N ILE A 29 -3.093 3.768 -10.549 1.00 0.00 N ATOM 493 CA ILE A 29 -2.011 2.835 -10.244 1.00 0.00 C ATOM 494 C ILE A 29 -2.611 1.460 -9.997 1.00 0.00 C ATOM 495 O ILE A 29 -3.441 1.268 -9.109 1.00 0.00 O ATOM 496 CB ILE A 29 -1.260 3.313 -8.999 1.00 0.00 C ATOM 497 CG1 ILE A 29 -0.744 4.746 -9.170 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.102 2.365 -8.692 1.00 0.00 C ATOM 499 CD1 ILE A 29 0.209 4.903 -10.356 1.00 0.00 C ATOM 0 H ILE A 29 -3.679 4.038 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.311 2.784 -11.078 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.958 3.311 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.592 5.418 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.233 5.053 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.427 2.712 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.490 1.362 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.584 2.343 -9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.539 5.940 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.074 4.255 -10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.306 4.626 -11.276 1.00 0.00 H new ATOM 511 N SER A 30 -2.193 0.488 -10.787 1.00 0.00 N ATOM 512 CA SER A 30 -2.734 -0.857 -10.603 1.00 0.00 C ATOM 513 C SER A 30 -1.718 -1.705 -9.857 1.00 0.00 C ATOM 514 O SER A 30 -0.527 -1.400 -9.813 1.00 0.00 O ATOM 515 CB SER A 30 -3.028 -1.468 -11.970 1.00 0.00 C ATOM 516 OG SER A 30 -1.830 -1.530 -12.731 1.00 0.00 O ATOM 0 H SER A 30 -1.508 0.590 -11.536 1.00 0.00 H new ATOM 0 HA SER A 30 -3.657 -0.815 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.447 -2.467 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.773 -0.870 -12.494 1.00 0.00 H new ATOM 0 HG SER A 30 -1.635 -2.463 -12.959 1.00 0.00 H new ATOM 522 N PHE A 31 -2.182 -2.786 -9.257 1.00 0.00 N ATOM 523 CA PHE A 31 -1.249 -3.636 -8.521 1.00 0.00 C ATOM 524 C PHE A 31 -1.904 -4.977 -8.233 1.00 0.00 C ATOM 525 O PHE A 31 -3.106 -5.164 -8.421 1.00 0.00 O ATOM 526 CB PHE A 31 -0.829 -2.948 -7.222 1.00 0.00 C ATOM 527 CG PHE A 31 -2.009 -2.665 -6.315 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.664 -1.498 -6.408 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.381 -3.563 -5.391 1.00 0.00 C ATOM 530 CE1 PHE A 31 -3.695 -1.239 -5.593 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.413 -3.304 -4.576 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.072 -2.141 -4.677 1.00 0.00 C ATOM 0 H PHE A 31 -3.155 -3.092 -9.258 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.356 -3.804 -9.123 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.111 -3.577 -6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.321 -2.013 -7.456 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.360 -0.766 -7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.847 -4.498 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.224 -0.301 -5.675 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.714 -4.033 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.905 -1.932 -4.022 1.00 0.00 H new ATOM 542 N THR A 32 -1.108 -5.927 -7.775 1.00 0.00 N ATOM 543 CA THR A 32 -1.665 -7.244 -7.476 1.00 0.00 C ATOM 544 C THR A 32 -1.303 -7.626 -6.050 1.00 0.00 C ATOM 545 O THR A 32 -0.277 -8.251 -5.789 1.00 0.00 O ATOM 546 CB THR A 32 -1.092 -8.275 -8.447 1.00 0.00 C ATOM 547 OG1 THR A 32 0.324 -8.272 -8.350 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.500 -7.948 -9.880 1.00 0.00 C ATOM 0 H THR A 32 -0.108 -5.824 -7.605 1.00 0.00 H new ATOM 0 HA THR A 32 -2.749 -7.217 -7.583 1.00 0.00 H new ATOM 0 HB THR A 32 -1.484 -9.258 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.588 -8.359 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.082 -8.694 -10.556 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.587 -7.955 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.123 -6.962 -10.150 1.00 0.00 H new ATOM 556 N TYR A 33 -2.153 -7.259 -5.109 1.00 0.00 N ATOM 557 CA TYR A 33 -1.871 -7.639 -3.728 1.00 0.00 C ATOM 558 C TYR A 33 -2.046 -9.142 -3.594 1.00 0.00 C ATOM 559 O TYR A 33 -2.917 -9.747 -4.218 1.00 0.00 O ATOM 560 CB TYR A 33 -2.813 -6.901 -2.774 1.00 0.00 C ATOM 561 CG TYR A 33 -4.254 -7.321 -2.966 1.00 0.00 C ATOM 562 CD1 TYR A 33 -5.006 -6.749 -3.918 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.789 -8.254 -2.166 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.284 -7.120 -4.077 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.067 -8.625 -2.325 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.815 -8.058 -3.280 1.00 0.00 C ATOM 567 OH TYR A 33 -8.120 -8.438 -3.444 1.00 0.00 O ATOM 0 H TYR A 33 -3.008 -6.723 -5.258 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.848 -7.366 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.512 -7.095 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.724 -5.827 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.581 -5.989 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.189 -8.708 -1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.887 -6.663 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.494 -9.381 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.345 -9.128 -2.786 1.00 0.00 H new ATOM 577 N ASP A 34 -1.213 -9.766 -2.782 1.00 0.00 N ATOM 578 CA ASP A 34 -1.320 -11.216 -2.652 1.00 0.00 C ATOM 579 C ASP A 34 -2.344 -11.557 -1.580 1.00 0.00 C ATOM 580 O ASP A 34 -2.406 -10.935 -0.521 1.00 0.00 O ATOM 581 CB ASP A 34 0.049 -11.785 -2.284 1.00 0.00 C ATOM 582 CG ASP A 34 -0.008 -13.299 -2.168 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.041 -13.982 -3.214 1.00 0.00 O ATOM 584 OD2 ASP A 34 -0.019 -13.817 -1.030 1.00 0.00 O ATOM 0 H ASP A 34 -0.484 -9.321 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.647 -11.653 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.781 -11.501 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.384 -11.356 -1.340 1.00 0.00 H new ATOM 589 N GLU A 35 -3.161 -12.555 -1.855 1.00 0.00 N ATOM 590 CA GLU A 35 -4.171 -12.936 -0.873 1.00 0.00 C ATOM 591 C GLU A 35 -4.724 -14.300 -1.255 1.00 0.00 C ATOM 592 O GLU A 35 -5.821 -14.428 -1.796 1.00 0.00 O ATOM 593 CB GLU A 35 -5.282 -11.886 -0.863 1.00 0.00 C ATOM 594 CG GLU A 35 -6.317 -12.201 0.212 1.00 0.00 C ATOM 595 CD GLU A 35 -7.397 -11.131 0.244 1.00 0.00 C ATOM 596 OE1 GLU A 35 -8.219 -10.970 -0.656 1.00 0.00 O ATOM 597 OE2 GLU A 35 -7.337 -10.379 1.388 1.00 0.00 O ATOM 0 H GLU A 35 -3.153 -13.103 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.738 -12.991 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.854 -10.900 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.765 -11.852 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.767 -13.174 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.831 -12.264 1.185 1.00 0.00 H new ATOM 605 N GLY A 36 -3.957 -15.339 -0.984 1.00 0.00 N ATOM 606 CA GLY A 36 -4.424 -16.673 -1.351 1.00 0.00 C ATOM 607 C GLY A 36 -3.235 -17.593 -1.579 1.00 0.00 C ATOM 608 O GLY A 36 -3.273 -18.785 -1.278 1.00 0.00 O ATOM 0 H GLY A 36 -3.044 -15.298 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.060 -17.075 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.032 -16.619 -2.254 1.00 0.00 H new ATOM 612 N GLY A 37 -2.166 -17.040 -2.122 1.00 0.00 N ATOM 613 CA GLY A 37 -0.990 -17.870 -2.374 1.00 0.00 C ATOM 614 C GLY A 37 -0.918 -18.237 -3.848 1.00 0.00 C ATOM 615 O GLY A 37 0.108 -18.693 -4.352 1.00 0.00 O ATOM 0 H GLY A 37 -2.081 -16.060 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.087 -17.335 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.036 -18.774 -1.767 1.00 0.00 H new ATOM 619 N GLY A 38 -2.012 -18.041 -4.560 1.00 0.00 N ATOM 620 CA GLY A 38 -1.996 -18.378 -5.980 1.00 0.00 C ATOM 621 C GLY A 38 -3.205 -17.770 -6.673 1.00 0.00 C ATOM 622 O GLY A 38 -3.805 -18.366 -7.566 1.00 0.00 O ATOM 0 H GLY A 38 -2.891 -17.666 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.079 -18.008 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.001 -19.461 -6.105 1.00 0.00 H new ATOM 626 N LYS A 39 -3.574 -16.570 -6.263 1.00 0.00 N ATOM 627 CA LYS A 39 -4.732 -15.935 -6.890 1.00 0.00 C ATOM 628 C LYS A 39 -4.521 -14.430 -6.927 1.00 0.00 C ATOM 629 O LYS A 39 -4.854 -13.759 -7.903 1.00 0.00 O ATOM 630 CB LYS A 39 -5.984 -16.273 -6.087 1.00 0.00 C ATOM 631 CG LYS A 39 -7.213 -15.621 -6.718 1.00 0.00 C ATOM 632 CD LYS A 39 -8.464 -15.958 -5.910 1.00 0.00 C ATOM 633 CE LYS A 39 -9.696 -15.285 -6.509 1.00 0.00 C ATOM 634 NZ LYS A 39 -9.928 -15.775 -7.875 1.00 0.00 N ATOM 0 H LYS A 39 -3.115 -16.029 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.853 -16.301 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.118 -17.354 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.869 -15.928 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.079 -14.540 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.330 -15.968 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.609 -17.038 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.333 -15.634 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.569 -15.489 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.559 -14.204 -6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.894 -15.531 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.245 -15.334 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.810 -16.808 -7.898 1.00 0.00 H new ATOM 648 N THR A 40 -3.968 -13.895 -5.850 1.00 0.00 N ATOM 649 CA THR A 40 -3.721 -12.454 -5.791 1.00 0.00 C ATOM 650 C THR A 40 -4.992 -11.676 -6.104 1.00 0.00 C ATOM 651 O THR A 40 -6.096 -12.219 -6.155 1.00 0.00 O ATOM 652 CB THR A 40 -2.590 -12.057 -6.740 1.00 0.00 C ATOM 653 OG1 THR A 40 -2.998 -12.241 -8.088 1.00 0.00 O ATOM 654 CG2 THR A 40 -1.338 -12.888 -6.476 1.00 0.00 C ATOM 0 H THR A 40 -3.686 -14.418 -5.021 1.00 0.00 H new ATOM 0 HA THR A 40 -3.412 -12.203 -4.776 1.00 0.00 H new ATOM 0 HB THR A 40 -2.358 -11.006 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.924 -12.561 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.549 -12.586 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.005 -12.729 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.564 -13.944 -6.624 1.00 0.00 H new ATOM 662 N GLY A 41 -4.847 -10.380 -6.311 1.00 0.00 N ATOM 663 CA GLY A 41 -6.030 -9.580 -6.618 1.00 0.00 C ATOM 664 C GLY A 41 -5.621 -8.303 -7.335 1.00 0.00 C ATOM 665 O GLY A 41 -4.671 -7.623 -6.954 1.00 0.00 O ATOM 0 H GLY A 41 -3.964 -9.871 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.716 -10.154 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.563 -9.336 -5.699 1.00 0.00 H new ATOM 669 N ARG A 42 -6.344 -7.971 -8.389 1.00 0.00 N ATOM 670 CA ARG A 42 -5.994 -6.765 -9.137 1.00 0.00 C ATOM 671 C ARG A 42 -6.883 -5.619 -8.682 1.00 0.00 C ATOM 672 O ARG A 42 -8.048 -5.800 -8.332 1.00 0.00 O ATOM 673 CB ARG A 42 -6.187 -7.036 -10.627 1.00 0.00 C ATOM 674 CG ARG A 42 -5.815 -5.816 -11.468 1.00 0.00 C ATOM 675 CD ARG A 42 -5.910 -6.139 -12.957 1.00 0.00 C ATOM 676 NE ARG A 42 -7.282 -6.500 -13.304 1.00 0.00 N ATOM 677 CZ ARG A 42 -7.557 -6.835 -14.552 1.00 0.00 C ATOM 678 NH1 ARG A 42 -6.602 -6.841 -15.464 1.00 0.00 N ATOM 679 NH2 ARG A 42 -8.790 -7.166 -14.889 1.00 0.00 N ATOM 0 H ARG A 42 -7.147 -8.492 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.954 -6.493 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.574 -7.887 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.225 -7.308 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.479 -4.986 -11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.802 -5.495 -11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.592 -5.278 -13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.236 -6.960 -13.203 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.015 -6.494 -12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.649 -6.587 -15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.818 -7.100 -16.427 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.529 -7.163 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.003 -7.425 -15.852 1.00 0.00 H new ATOM 693 N GLY A 43 -6.337 -4.416 -8.688 1.00 0.00 N ATOM 694 CA GLY A 43 -7.145 -3.275 -8.268 1.00 0.00 C ATOM 695 C GLY A 43 -6.513 -1.986 -8.768 1.00 0.00 C ATOM 696 O GLY A 43 -5.538 -1.993 -9.518 1.00 0.00 O ATOM 0 H GLY A 43 -5.379 -4.203 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.158 -3.371 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.225 -3.254 -7.181 1.00 0.00 H new ATOM 700 N ALA A 44 -7.063 -0.859 -8.357 1.00 0.00 N ATOM 701 CA ALA A 44 -6.486 0.406 -8.807 1.00 0.00 C ATOM 702 C ALA A 44 -6.966 1.531 -7.905 1.00 0.00 C ATOM 703 O ALA A 44 -8.031 1.464 -7.294 1.00 0.00 O ATOM 704 CB ALA A 44 -6.909 0.669 -10.250 1.00 0.00 C ATOM 0 H ALA A 44 -7.872 -0.785 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.398 0.354 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.480 1.612 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.553 -0.141 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.996 0.724 -10.306 1.00 0.00 H new ATOM 710 N VAL A 45 -6.174 2.583 -7.814 1.00 0.00 N ATOM 711 CA VAL A 45 -6.580 3.698 -6.964 1.00 0.00 C ATOM 712 C VAL A 45 -5.774 4.926 -7.364 1.00 0.00 C ATOM 713 O VAL A 45 -4.571 4.858 -7.611 1.00 0.00 O ATOM 714 CB VAL A 45 -6.359 3.320 -5.498 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.885 3.035 -5.220 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.842 4.442 -4.582 1.00 0.00 C ATOM 0 H VAL A 45 -5.281 2.694 -8.294 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.639 3.925 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.933 2.415 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.757 2.769 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.550 2.209 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.294 3.923 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.678 4.159 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.288 5.355 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.905 4.615 -4.748 1.00 0.00 H new ATOM 726 N SER A 46 -6.439 6.063 -7.452 1.00 0.00 N ATOM 727 CA SER A 46 -5.722 7.267 -7.863 1.00 0.00 C ATOM 728 C SER A 46 -4.692 7.630 -6.805 1.00 0.00 C ATOM 729 O SER A 46 -4.857 7.358 -5.618 1.00 0.00 O ATOM 730 CB SER A 46 -6.720 8.408 -8.039 1.00 0.00 C ATOM 731 OG SER A 46 -7.381 8.661 -6.808 1.00 0.00 O ATOM 0 H SER A 46 -7.432 6.184 -7.255 1.00 0.00 H new ATOM 0 HA SER A 46 -5.209 7.089 -8.808 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.204 9.307 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.449 8.151 -8.808 1.00 0.00 H new ATOM 0 HG SER A 46 -8.020 9.395 -6.924 1.00 0.00 H new ATOM 737 N GLU A 47 -3.610 8.254 -7.237 1.00 0.00 N ATOM 738 CA GLU A 47 -2.559 8.596 -6.281 1.00 0.00 C ATOM 739 C GLU A 47 -2.814 9.976 -5.694 1.00 0.00 C ATOM 740 O GLU A 47 -2.074 10.459 -4.837 1.00 0.00 O ATOM 741 CB GLU A 47 -1.203 8.560 -6.985 1.00 0.00 C ATOM 742 CG GLU A 47 -1.139 9.567 -8.132 1.00 0.00 C ATOM 743 CD GLU A 47 0.215 9.501 -8.820 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.379 8.681 -9.750 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.123 10.268 -8.435 1.00 0.00 O ATOM 0 H GLU A 47 -3.434 8.528 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.559 7.871 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.413 8.776 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.018 7.557 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.930 9.359 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.312 10.573 -7.751 1.00 0.00 H new ATOM 752 N LYS A 48 -3.868 10.633 -6.144 1.00 0.00 N ATOM 753 CA LYS A 48 -4.150 11.961 -5.606 1.00 0.00 C ATOM 754 C LYS A 48 -4.758 11.823 -4.218 1.00 0.00 C ATOM 755 O LYS A 48 -4.611 12.695 -3.362 1.00 0.00 O ATOM 756 CB LYS A 48 -5.105 12.691 -6.548 1.00 0.00 C ATOM 757 CG LYS A 48 -5.417 14.097 -6.037 1.00 0.00 C ATOM 758 CD LYS A 48 -6.236 14.892 -7.053 1.00 0.00 C ATOM 759 CE LYS A 48 -7.616 14.279 -7.291 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.370 14.227 -6.030 1.00 0.00 N ATOM 0 H LYS A 48 -4.521 10.292 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.229 12.539 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.663 12.752 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.030 12.123 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.966 14.031 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.486 14.624 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.352 15.917 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.694 14.939 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.163 14.869 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.511 13.275 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.380 14.087 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.022 13.437 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.242 15.120 -5.512 1.00 0.00 H new ATOM 774 N ASP A 49 -5.445 10.719 -3.978 1.00 0.00 N ATOM 775 CA ASP A 49 -6.025 10.519 -2.652 1.00 0.00 C ATOM 776 C ASP A 49 -5.213 9.459 -1.918 1.00 0.00 C ATOM 777 O ASP A 49 -5.746 8.520 -1.330 1.00 0.00 O ATOM 778 CB ASP A 49 -7.480 10.082 -2.807 1.00 0.00 C ATOM 779 CG ASP A 49 -8.166 9.975 -1.454 1.00 0.00 C ATOM 780 OD1 ASP A 49 -8.271 11.001 -0.750 1.00 0.00 O ATOM 781 OD2 ASP A 49 -8.604 8.863 -1.088 1.00 0.00 O ATOM 0 H ASP A 49 -5.613 9.971 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.000 11.443 -2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.013 10.797 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.522 9.119 -3.317 1.00 0.00 H new ATOM 786 N ALA A 50 -3.901 9.608 -1.956 1.00 0.00 N ATOM 787 CA ALA A 50 -3.052 8.627 -1.284 1.00 0.00 C ATOM 788 C ALA A 50 -2.395 9.303 -0.085 1.00 0.00 C ATOM 789 O ALA A 50 -2.231 10.522 -0.071 1.00 0.00 O ATOM 790 CB ALA A 50 -1.996 8.152 -2.281 1.00 0.00 C ATOM 0 H ALA A 50 -3.409 10.368 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.629 7.770 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.348 7.417 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.487 7.697 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.399 9.002 -2.611 1.00 0.00 H new ATOM 796 N PRO A 51 -2.006 8.562 0.944 1.00 0.00 N ATOM 797 CA PRO A 51 -1.399 9.166 2.124 1.00 0.00 C ATOM 798 C PRO A 51 0.014 9.622 1.798 1.00 0.00 C ATOM 799 O PRO A 51 0.588 9.277 0.767 1.00 0.00 O ATOM 800 CB PRO A 51 -1.412 7.998 3.109 1.00 0.00 C ATOM 801 CG PRO A 51 -1.352 6.751 2.227 1.00 0.00 C ATOM 802 CD PRO A 51 -2.186 7.114 0.999 1.00 0.00 C ATOM 0 HA PRO A 51 -1.907 10.051 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.562 8.044 3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.313 8.007 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.326 6.507 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.760 5.881 2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.824 6.621 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.233 6.835 1.117 1.00 0.00 H new ATOM 810 N LYS A 52 0.584 10.425 2.678 1.00 0.00 N ATOM 811 CA LYS A 52 1.894 10.994 2.371 1.00 0.00 C ATOM 812 C LYS A 52 2.975 9.932 2.496 1.00 0.00 C ATOM 813 O LYS A 52 4.024 10.006 1.859 1.00 0.00 O ATOM 814 CB LYS A 52 2.190 12.135 3.347 1.00 0.00 C ATOM 815 CG LYS A 52 1.188 13.287 3.247 1.00 0.00 C ATOM 816 CD LYS A 52 1.690 14.438 2.371 1.00 0.00 C ATOM 817 CE LYS A 52 1.813 14.063 0.895 1.00 0.00 C ATOM 818 NZ LYS A 52 0.508 13.630 0.375 1.00 0.00 N ATOM 0 H LYS A 52 0.185 10.693 3.578 1.00 0.00 H new ATOM 0 HA LYS A 52 1.886 11.371 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.185 11.745 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.193 12.517 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.249 12.911 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.975 13.664 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.009 15.284 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.662 14.767 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.176 14.917 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.545 13.264 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.523 13.654 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.311 12.661 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.234 14.269 0.725 1.00 0.00 H new ATOM 832 N GLU A 53 2.745 8.935 3.330 1.00 0.00 N ATOM 833 CA GLU A 53 3.796 7.943 3.546 1.00 0.00 C ATOM 834 C GLU A 53 4.009 7.113 2.289 1.00 0.00 C ATOM 835 O GLU A 53 5.116 6.666 1.996 1.00 0.00 O ATOM 836 CB GLU A 53 3.393 7.046 4.716 1.00 0.00 C ATOM 837 CG GLU A 53 4.462 5.996 5.010 1.00 0.00 C ATOM 838 CD GLU A 53 5.781 6.651 5.389 1.00 0.00 C ATOM 839 OE1 GLU A 53 5.840 7.320 6.444 1.00 0.00 O ATOM 840 OE2 GLU A 53 6.766 6.500 4.635 1.00 0.00 O ATOM 0 H GLU A 53 1.881 8.787 3.852 1.00 0.00 H new ATOM 0 HA GLU A 53 4.734 8.448 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.227 7.657 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.449 6.552 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.127 5.349 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.605 5.363 4.135 1.00 0.00 H new ATOM 847 N LEU A 54 2.951 6.883 1.535 1.00 0.00 N ATOM 848 CA LEU A 54 3.107 6.041 0.351 1.00 0.00 C ATOM 849 C LEU A 54 3.735 6.876 -0.760 1.00 0.00 C ATOM 850 O LEU A 54 4.504 6.381 -1.583 1.00 0.00 O ATOM 851 CB LEU A 54 1.727 5.492 -0.023 1.00 0.00 C ATOM 852 CG LEU A 54 1.769 4.192 -0.832 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.356 3.619 -0.898 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.268 4.405 -2.260 1.00 0.00 C ATOM 0 H LEU A 54 2.012 7.245 1.703 1.00 0.00 H new ATOM 0 HA LEU A 54 3.768 5.193 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.156 5.321 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.191 6.247 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 54 2.462 3.514 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.366 2.692 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.003 3.418 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.306 4.337 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.278 3.452 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.606 5.099 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.277 4.816 -2.235 1.00 0.00 H new ATOM 866 N LEU A 55 3.419 8.158 -0.800 1.00 0.00 N ATOM 867 CA LEU A 55 3.938 8.973 -1.897 1.00 0.00 C ATOM 868 C LEU A 55 5.369 9.399 -1.606 1.00 0.00 C ATOM 869 O LEU A 55 6.146 9.692 -2.512 1.00 0.00 O ATOM 870 CB LEU A 55 3.062 10.213 -2.074 1.00 0.00 C ATOM 871 CG LEU A 55 1.608 9.863 -2.391 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.785 11.148 -2.430 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.495 9.160 -3.743 1.00 0.00 C ATOM 0 H LEU A 55 2.833 8.645 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 55 3.924 8.381 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.098 10.812 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.467 10.829 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 55 1.236 9.191 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.254 10.908 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.841 11.645 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.180 11.810 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.450 8.922 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.875 9.815 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.079 8.240 -3.725 1.00 0.00 H new ATOM 885 N GLN A 56 5.734 9.439 -0.338 1.00 0.00 N ATOM 886 CA GLN A 56 7.093 9.868 -0.010 1.00 0.00 C ATOM 887 C GLN A 56 7.975 8.644 0.193 1.00 0.00 C ATOM 888 O GLN A 56 9.011 8.702 0.853 1.00 0.00 O ATOM 889 CB GLN A 56 7.067 10.712 1.262 1.00 0.00 C ATOM 890 CG GLN A 56 6.260 11.994 1.061 1.00 0.00 C ATOM 891 CD GLN A 56 6.890 12.873 -0.007 1.00 0.00 C ATOM 892 OE1 GLN A 56 8.103 12.878 -0.210 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.065 13.631 -0.706 1.00 0.00 N ATOM 0 H GLN A 56 5.143 9.193 0.456 1.00 0.00 H new ATOM 0 HA GLN A 56 7.497 10.467 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.635 10.132 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.086 10.963 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.238 11.744 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.202 12.543 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.063 13.606 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.429 14.242 -1.437 1.00 0.00 H new ATOM 902 N MET A 57 7.574 7.528 -0.388 1.00 0.00 N ATOM 903 CA MET A 57 8.394 6.326 -0.259 1.00 0.00 C ATOM 904 C MET A 57 8.888 5.908 -1.635 1.00 0.00 C ATOM 905 O MET A 57 9.904 5.228 -1.772 1.00 0.00 O ATOM 906 CB MET A 57 7.553 5.218 0.371 1.00 0.00 C ATOM 907 CG MET A 57 8.370 3.939 0.548 1.00 0.00 C ATOM 908 SD MET A 57 9.810 4.267 1.580 1.00 0.00 S ATOM 909 CE MET A 57 8.998 4.478 3.173 1.00 0.00 C ATOM 0 H MET A 57 6.720 7.423 -0.935 1.00 0.00 H new ATOM 0 HA MET A 57 9.257 6.521 0.378 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.176 5.549 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.685 5.015 -0.256 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.754 3.164 1.004 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.687 3.563 -0.425 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.673 4.164 3.970 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.736 5.527 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.093 3.871 3.203 1.00 0.00 H new ATOM 919 N LEU A 58 8.170 6.306 -2.672 1.00 0.00 N ATOM 920 CA LEU A 58 8.561 5.859 -4.010 1.00 0.00 C ATOM 921 C LEU A 58 8.713 7.037 -4.964 1.00 0.00 C ATOM 922 O LEU A 58 9.448 6.962 -5.949 1.00 0.00 O ATOM 923 CB LEU A 58 7.500 4.903 -4.558 1.00 0.00 C ATOM 924 CG LEU A 58 7.306 3.668 -3.678 1.00 0.00 C ATOM 925 CD1 LEU A 58 6.141 2.846 -4.223 1.00 0.00 C ATOM 926 CD2 LEU A 58 8.563 2.800 -3.666 1.00 0.00 C ATOM 0 H LEU A 58 7.349 6.910 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 58 9.523 5.352 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.552 5.433 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.785 4.588 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 58 7.101 3.997 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.996 1.963 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.234 3.450 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.360 2.537 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.397 1.929 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.789 2.473 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.401 3.378 -3.276 1.00 0.00 H new ATOM 938 N GLU A 59 8.011 8.129 -4.717 1.00 0.00 N ATOM 939 CA GLU A 59 8.034 9.209 -5.701 1.00 0.00 C ATOM 940 C GLU A 59 9.155 10.193 -5.400 1.00 0.00 C ATOM 941 O GLU A 59 8.922 11.332 -4.999 1.00 0.00 O ATOM 942 CB GLU A 59 6.694 9.942 -5.694 1.00 0.00 C ATOM 943 CG GLU A 59 5.540 8.995 -6.017 1.00 0.00 C ATOM 944 CD GLU A 59 4.225 9.757 -6.058 1.00 0.00 C ATOM 945 OE1 GLU A 59 4.130 10.826 -5.418 1.00 0.00 O ATOM 946 OE2 GLU A 59 3.281 9.292 -6.732 1.00 0.00 O ATOM 0 H GLU A 59 7.442 8.294 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 59 8.210 8.774 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.531 10.397 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.717 10.752 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.717 8.510 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.487 8.206 -5.267 1.00 0.00 H new ATOM 953 N LYS A 60 10.388 9.779 -5.629 1.00 0.00 N ATOM 954 CA LYS A 60 11.480 10.745 -5.531 1.00 0.00 C ATOM 955 C LYS A 60 11.426 11.642 -6.757 1.00 0.00 C ATOM 956 O LYS A 60 11.774 11.240 -7.866 1.00 0.00 O ATOM 957 CB LYS A 60 12.824 10.021 -5.488 1.00 0.00 C ATOM 958 CG LYS A 60 13.329 9.714 -4.074 1.00 0.00 C ATOM 959 CD LYS A 60 12.451 8.745 -3.282 1.00 0.00 C ATOM 960 CE LYS A 60 11.453 9.485 -2.392 1.00 0.00 C ATOM 961 NZ LYS A 60 10.746 8.523 -1.535 1.00 0.00 N ATOM 0 H LYS A 60 10.657 8.826 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 60 11.375 11.333 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.738 9.086 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.568 10.629 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.335 9.299 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.408 10.649 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.912 8.096 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.081 8.103 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.974 10.220 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.739 10.032 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.646 8.918 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.803 8.333 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.287 7.636 -1.489 1.00 0.00 H new ATOM 975 N GLN A 61 10.982 12.871 -6.561 1.00 0.00 N ATOM 976 CA GLN A 61 10.904 13.788 -7.697 1.00 0.00 C ATOM 977 C GLN A 61 11.705 15.039 -7.375 1.00 0.00 C ATOM 978 O GLN A 61 11.933 15.377 -6.214 1.00 0.00 O ATOM 979 CB GLN A 61 9.445 14.155 -7.960 1.00 0.00 C ATOM 980 CG GLN A 61 8.632 12.921 -8.348 1.00 0.00 C ATOM 981 CD GLN A 61 7.193 13.303 -8.653 1.00 0.00 C ATOM 982 OE1 GLN A 61 6.852 13.714 -9.761 1.00 0.00 O ATOM 983 NE2 GLN A 61 6.328 13.169 -7.664 1.00 0.00 N ATOM 0 H GLN A 61 10.679 13.252 -5.665 1.00 0.00 H new ATOM 0 HA GLN A 61 11.313 13.312 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.015 14.613 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.391 14.896 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.080 12.443 -9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.657 12.193 -7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.641 12.826 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.347 13.409 -7.808 1.00 0.00 H new ATOM 992 N LYS A 62 12.146 15.738 -8.406 1.00 0.00 N ATOM 993 CA LYS A 62 12.925 16.950 -8.162 1.00 0.00 C ATOM 994 C LYS A 62 12.280 18.108 -8.907 1.00 0.00 C ATOM 995 O LYS A 62 12.139 18.021 -10.146 1.00 0.00 O ATOM 996 CB LYS A 62 14.355 16.738 -8.653 1.00 0.00 C ATOM 997 CG LYS A 62 15.020 15.598 -7.886 1.00 0.00 C ATOM 998 CD LYS A 62 16.438 15.361 -8.400 1.00 0.00 C ATOM 999 CE LYS A 62 17.090 14.191 -7.666 1.00 0.00 C ATOM 1000 NZ LYS A 62 17.202 14.497 -6.232 1.00 0.00 N ATOM 1001 OXT LYS A 62 11.909 19.109 -8.257 1.00 0.00 O ATOM 0 H LYS A 62 11.989 15.504 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 62 12.948 17.175 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.350 16.512 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.930 17.655 -8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.048 15.835 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.431 14.687 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.413 15.157 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.036 16.262 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.498 13.287 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.078 13.995 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.887 13.850 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.525 15.478 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.274 14.380 -5.778 1.00 0.00 H new TER 1015 LYS A 62