USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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: B 20 THR OG1 : rot -34:sc= 0.835 USER MOD Set 1.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -48:sc= 0.877 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -156:sc= -0.247 (180deg=-1.43) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -172:sc= 0 (180deg=-0.0224) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= -0.812 (180deg=-2.62!) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -1.06 (180deg=-2.46!) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -154:sc= -0.266 (180deg=-1.45) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -111:sc= 0 (180deg=-0.0295) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -122:sc= -0.858 (180deg=-2.56!) USER MOD Single : B 32 LYS NZ :NH3+ -145:sc= -1.08 (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 4.637 2.136 -4.318 1.00 0.00 N ATOM 2 CA LYS A 5 4.564 1.548 -2.951 1.00 0.00 C ATOM 3 C LYS A 5 5.952 1.599 -2.313 1.00 0.00 C ATOM 4 O LYS A 5 6.117 1.279 -1.136 1.00 0.00 O ATOM 5 CB LYS A 5 4.066 0.092 -3.055 1.00 0.00 C ATOM 6 CG LYS A 5 2.535 0.045 -2.949 1.00 0.00 C ATOM 7 CD LYS A 5 1.914 0.878 -4.072 1.00 0.00 C ATOM 8 CE LYS A 5 0.392 0.735 -4.032 1.00 0.00 C ATOM 9 NZ LYS A 5 -0.214 1.562 -5.114 1.00 0.00 N ATOM 0 HA LYS A 5 3.869 2.113 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.385 -0.342 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.511 -0.510 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.188 -0.986 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.216 0.428 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.194 1.925 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.296 0.547 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.111 -0.311 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.012 1.052 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.249 1.465 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.044 2.560 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.140 1.239 -6.037 1.00 0.00 H new ATOM 22 N GLY A 6 6.943 2.006 -3.098 1.00 0.00 N ATOM 23 CA GLY A 6 8.310 2.099 -2.601 1.00 0.00 C ATOM 24 C GLY A 6 8.429 3.173 -1.528 1.00 0.00 C ATOM 25 O GLY A 6 9.348 3.148 -0.713 1.00 0.00 O ATOM 0 H GLY A 6 6.827 2.275 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.619 1.137 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.986 2.327 -3.425 1.00 0.00 H new ATOM 29 N ALA A 7 7.497 4.118 -1.533 1.00 0.00 N ATOM 30 CA ALA A 7 7.512 5.191 -0.547 1.00 0.00 C ATOM 31 C ALA A 7 6.872 4.719 0.755 1.00 0.00 C ATOM 32 O ALA A 7 7.115 5.287 1.821 1.00 0.00 O ATOM 33 CB ALA A 7 6.748 6.402 -1.082 1.00 0.00 C ATOM 0 H ALA A 7 6.728 4.164 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 7 8.547 5.473 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.764 7.199 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.219 6.752 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.716 6.119 -1.288 1.00 0.00 H new ATOM 39 N ILE A 8 6.046 3.680 0.659 1.00 0.00 N ATOM 40 CA ILE A 8 5.368 3.140 1.834 1.00 0.00 C ATOM 41 C ILE A 8 6.370 2.562 2.829 1.00 0.00 C ATOM 42 O ILE A 8 6.301 2.848 4.025 1.00 0.00 O ATOM 43 CB ILE A 8 4.383 2.042 1.413 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.395 2.581 0.352 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.621 1.540 2.645 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.228 3.337 1.002 1.00 0.00 C ATOM 0 H ILE A 8 5.831 3.198 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 8 4.829 3.956 2.315 1.00 0.00 H new ATOM 0 HB ILE A 8 4.938 1.214 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.922 3.244 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.008 1.752 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.921 0.760 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.327 1.136 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.072 2.367 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.554 3.702 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.686 2.666 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.614 4.181 1.573 1.00 0.00 H new ATOM 58 N ILE A 9 7.300 1.745 2.336 1.00 0.00 N ATOM 59 CA ILE A 9 8.298 1.141 3.211 1.00 0.00 C ATOM 60 C ILE A 9 9.243 2.216 3.745 1.00 0.00 C ATOM 61 O ILE A 9 9.590 2.228 4.926 1.00 0.00 O ATOM 62 CB ILE A 9 9.086 0.067 2.443 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.913 -0.789 3.422 1.00 0.00 C ATOM 64 CG2 ILE A 9 10.026 0.741 1.443 1.00 0.00 C ATOM 65 CD1 ILE A 9 9.031 -1.860 4.081 1.00 0.00 C ATOM 0 H ILE A 9 7.382 1.490 1.352 1.00 0.00 H new ATOM 0 HA ILE A 9 7.795 0.669 4.055 1.00 0.00 H new ATOM 0 HB ILE A 9 8.383 -0.576 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.737 -1.265 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.354 -0.151 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.585 -0.020 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.443 1.336 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.721 1.389 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.633 -2.454 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.222 -1.378 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.611 -2.509 3.312 1.00 0.00 H new ATOM 77 N GLY A 10 9.651 3.113 2.851 1.00 0.00 N ATOM 78 CA GLY A 10 10.560 4.202 3.208 1.00 0.00 C ATOM 79 C GLY A 10 10.278 4.733 4.614 1.00 0.00 C ATOM 80 O GLY A 10 11.202 4.963 5.394 1.00 0.00 O ATOM 0 H GLY A 10 9.366 3.108 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.590 3.850 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.460 5.012 2.486 1.00 0.00 H new ATOM 84 N LEU A 11 8.999 4.906 4.937 1.00 0.00 N ATOM 85 CA LEU A 11 8.613 5.388 6.260 1.00 0.00 C ATOM 86 C LEU A 11 8.690 4.263 7.284 1.00 0.00 C ATOM 87 O LEU A 11 9.022 4.486 8.444 1.00 0.00 O ATOM 88 CB LEU A 11 7.192 5.955 6.232 1.00 0.00 C ATOM 89 CG LEU A 11 7.163 7.270 5.442 1.00 0.00 C ATOM 90 CD1 LEU A 11 5.706 7.709 5.260 1.00 0.00 C ATOM 91 CD2 LEU A 11 7.950 8.367 6.195 1.00 0.00 C ATOM 0 H LEU A 11 8.218 4.721 4.307 1.00 0.00 H new ATOM 0 HA LEU A 11 9.308 6.178 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.513 5.234 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.840 6.125 7.250 1.00 0.00 H new ATOM 0 HG LEU A 11 7.629 7.117 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.675 8.643 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.160 6.940 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.246 7.857 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.921 9.294 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.500 8.531 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.986 8.051 6.320 1.00 0.00 H new ATOM 103 N MET A 12 8.361 3.057 6.846 1.00 0.00 N ATOM 104 CA MET A 12 8.373 1.899 7.711 1.00 0.00 C ATOM 105 C MET A 12 9.758 1.668 8.303 1.00 0.00 C ATOM 106 O MET A 12 9.948 1.743 9.517 1.00 0.00 O ATOM 107 CB MET A 12 7.957 0.701 6.863 1.00 0.00 C ATOM 108 CG MET A 12 7.455 -0.437 7.729 1.00 0.00 C ATOM 109 SD MET A 12 8.844 -1.226 8.588 1.00 0.00 S ATOM 110 CE MET A 12 8.437 -0.699 10.274 1.00 0.00 C ATOM 0 H MET A 12 8.080 2.860 5.885 1.00 0.00 H new ATOM 0 HA MET A 12 7.688 2.047 8.546 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.176 1.001 6.164 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.805 0.362 6.268 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.734 -0.061 8.455 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.934 -1.170 7.113 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.341 -0.699 10.883 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.016 0.306 10.249 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.709 -1.387 10.704 1.00 0.00 H new ATOM 120 N VAL A 13 10.718 1.383 7.439 1.00 0.00 N ATOM 121 CA VAL A 13 12.078 1.135 7.883 1.00 0.00 C ATOM 122 C VAL A 13 12.747 2.422 8.349 1.00 0.00 C ATOM 123 O VAL A 13 13.695 2.383 9.128 1.00 0.00 O ATOM 124 CB VAL A 13 12.880 0.496 6.755 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.235 -0.845 6.393 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.872 1.417 5.533 1.00 0.00 C ATOM 0 H VAL A 13 10.581 1.318 6.430 1.00 0.00 H new ATOM 0 HA VAL A 13 12.045 0.451 8.731 1.00 0.00 H new ATOM 0 HB VAL A 13 13.910 0.339 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.799 -1.314 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.239 -1.498 7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.208 -0.679 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.446 0.958 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.845 1.574 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.319 2.375 5.797 1.00 0.00 H new ATOM 136 N GLY A 14 12.250 3.561 7.885 1.00 0.00 N ATOM 137 CA GLY A 14 12.818 4.840 8.294 1.00 0.00 C ATOM 138 C GLY A 14 12.432 5.174 9.734 1.00 0.00 C ATOM 139 O GLY A 14 13.273 5.577 10.536 1.00 0.00 O ATOM 0 H GLY A 14 11.467 3.627 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.904 4.806 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.467 5.628 7.627 1.00 0.00 H new ATOM 143 N GLY A 15 11.142 5.030 10.044 1.00 0.00 N ATOM 144 CA GLY A 15 10.652 5.349 11.378 1.00 0.00 C ATOM 145 C GLY A 15 11.451 4.616 12.443 1.00 0.00 C ATOM 146 O GLY A 15 11.925 5.224 13.397 1.00 0.00 O ATOM 0 H GLY A 15 10.428 4.698 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.717 6.424 11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.599 5.077 11.457 1.00 0.00 H new ATOM 150 N VAL A 16 11.578 3.308 12.288 1.00 0.00 N ATOM 151 CA VAL A 16 12.307 2.527 13.273 1.00 0.00 C ATOM 152 C VAL A 16 13.672 3.157 13.536 1.00 0.00 C ATOM 153 O VAL A 16 14.054 3.340 14.688 1.00 0.00 O ATOM 154 CB VAL A 16 12.464 1.073 12.813 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.124 0.346 12.945 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.914 1.031 11.356 1.00 0.00 C ATOM 0 H VAL A 16 11.195 2.774 11.508 1.00 0.00 H new ATOM 0 HA VAL A 16 11.736 2.525 14.202 1.00 0.00 H new ATOM 0 HB VAL A 16 13.213 0.584 13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.237 -0.688 12.618 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.801 0.364 13.986 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.378 0.843 12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.023 -0.006 11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.170 1.526 10.731 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.871 1.543 11.256 1.00 0.00 H new ATOM 166 N VAL A 17 14.404 3.490 12.476 1.00 0.00 N ATOM 167 CA VAL A 17 15.726 4.093 12.640 1.00 0.00 C ATOM 168 C VAL A 17 15.640 5.398 13.438 1.00 0.00 C ATOM 169 O VAL A 17 16.437 5.624 14.348 1.00 0.00 O ATOM 170 CB VAL A 17 16.360 4.368 11.274 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.679 5.121 11.471 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.641 3.041 10.564 1.00 0.00 C ATOM 0 H VAL A 17 14.111 3.356 11.508 1.00 0.00 H new ATOM 0 HA VAL A 17 16.348 3.388 13.191 1.00 0.00 H new ATOM 0 HB VAL A 17 15.678 4.968 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.134 5.319 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.486 6.065 11.981 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.357 4.516 12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.092 3.237 9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.324 2.443 11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.707 2.497 10.427 1.00 0.00 H new ATOM 182 N ILE A 18 14.676 6.249 13.105 1.00 0.00 N ATOM 183 CA ILE A 18 14.530 7.510 13.831 1.00 0.00 C ATOM 184 C ILE A 18 14.196 7.203 15.291 1.00 0.00 C ATOM 185 O ILE A 18 14.760 7.786 16.217 1.00 0.00 O ATOM 186 CB ILE A 18 13.410 8.354 13.202 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.828 8.828 11.792 1.00 0.00 C ATOM 188 CG2 ILE A 18 13.102 9.563 14.093 1.00 0.00 C ATOM 189 CD1 ILE A 18 14.741 10.067 11.853 1.00 0.00 C ATOM 0 H ILE A 18 13.999 6.098 12.357 1.00 0.00 H new ATOM 0 HA ILE A 18 15.461 8.075 13.777 1.00 0.00 H new ATOM 0 HB ILE A 18 12.513 7.740 13.115 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.346 8.020 11.275 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.938 9.061 11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.307 10.156 13.640 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.782 9.218 15.076 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.997 10.176 14.197 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.013 10.369 10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.214 10.884 12.346 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.644 9.826 12.415 1.00 0.00 H new ATOM 201 N ALA A 19 13.261 6.281 15.462 1.00 0.00 N ATOM 202 CA ALA A 19 12.813 5.872 16.789 1.00 0.00 C ATOM 203 C ALA A 19 13.993 5.386 17.630 1.00 0.00 C ATOM 204 O ALA A 19 14.060 5.650 18.830 1.00 0.00 O ATOM 205 CB ALA A 19 11.772 4.757 16.663 1.00 0.00 C ATOM 0 H ALA A 19 12.794 5.798 14.695 1.00 0.00 H new ATOM 0 HA ALA A 19 12.365 6.733 17.285 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.440 4.455 17.656 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.918 5.119 16.090 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.215 3.902 16.153 1.00 0.00 H new ATOM 211 N THR A 20 14.922 4.683 16.992 1.00 0.00 N ATOM 212 CA THR A 20 16.098 4.173 17.693 1.00 0.00 C ATOM 213 C THR A 20 17.000 5.318 18.115 1.00 0.00 C ATOM 214 O THR A 20 17.772 5.186 19.058 1.00 0.00 O ATOM 215 CB THR A 20 16.907 3.231 16.778 1.00 0.00 C ATOM 216 OG1 THR A 20 17.454 3.993 15.712 1.00 0.00 O ATOM 217 CG2 THR A 20 16.022 2.114 16.182 1.00 0.00 C ATOM 0 H THR A 20 14.886 4.454 15.999 1.00 0.00 H new ATOM 0 HA THR A 20 15.751 3.628 18.571 1.00 0.00 H new ATOM 0 HB THR A 20 17.690 2.764 17.376 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.757 4.564 15.327 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.628 1.471 15.543 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.591 1.521 16.989 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.221 2.560 15.592 1.00 0.00 H new ATOM 225 N MET A 21 16.921 6.427 17.385 1.00 0.00 N ATOM 226 CA MET A 21 17.758 7.593 17.665 1.00 0.00 C ATOM 227 C MET A 21 17.154 8.514 18.719 1.00 0.00 C ATOM 228 O MET A 21 17.885 9.057 19.547 1.00 0.00 O ATOM 229 CB MET A 21 17.993 8.379 16.372 1.00 0.00 C ATOM 230 CG MET A 21 18.845 7.547 15.407 1.00 0.00 C ATOM 231 SD MET A 21 20.521 7.356 16.078 1.00 0.00 S ATOM 232 CE MET A 21 20.653 5.556 15.924 1.00 0.00 C ATOM 0 H MET A 21 16.287 6.544 16.595 1.00 0.00 H new ATOM 0 HA MET A 21 18.702 7.222 18.064 1.00 0.00 H new ATOM 0 HB2 MET A 21 17.039 8.627 15.908 1.00 0.00 H new ATOM 0 HB3 MET A 21 18.494 9.321 16.594 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.390 6.568 15.256 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.886 8.033 14.432 1.00 0.00 H new ATOM 0 HE1 MET A 21 21.627 5.230 16.289 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.868 5.082 16.513 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.544 5.271 14.877 1.00 0.00 H new ATOM 242 N ILE A 22 15.836 8.708 18.706 1.00 0.00 N ATOM 243 CA ILE A 22 15.216 9.583 19.692 1.00 0.00 C ATOM 244 C ILE A 22 15.278 8.964 21.085 1.00 0.00 C ATOM 245 O ILE A 22 15.587 9.644 22.062 1.00 0.00 O ATOM 246 CB ILE A 22 13.759 9.838 19.296 1.00 0.00 C ATOM 247 CG1 ILE A 22 13.723 10.652 18.000 1.00 0.00 C ATOM 248 CG2 ILE A 22 13.048 10.620 20.403 1.00 0.00 C ATOM 249 CD1 ILE A 22 12.301 10.652 17.434 1.00 0.00 C ATOM 0 H ILE A 22 15.192 8.281 18.040 1.00 0.00 H new ATOM 0 HA ILE A 22 15.761 10.527 19.717 1.00 0.00 H new ATOM 0 HB ILE A 22 13.254 8.883 19.149 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.049 11.674 18.191 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.415 10.228 17.273 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.012 10.798 20.115 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.074 10.045 21.329 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.551 11.575 20.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.277 11.232 16.511 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.992 9.627 17.227 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.620 11.097 18.160 1.00 0.00 H new ATOM 261 N VAL A 23 14.937 7.682 21.174 1.00 0.00 N ATOM 262 CA VAL A 23 14.905 6.975 22.451 1.00 0.00 C ATOM 263 C VAL A 23 16.241 7.026 23.176 1.00 0.00 C ATOM 264 O VAL A 23 16.274 7.088 24.402 1.00 0.00 O ATOM 265 CB VAL A 23 14.526 5.518 22.201 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.146 5.450 21.521 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.588 4.862 21.301 1.00 0.00 C ATOM 0 H VAL A 23 14.677 7.108 20.372 1.00 0.00 H new ATOM 0 HA VAL A 23 14.169 7.468 23.085 1.00 0.00 H new ATOM 0 HB VAL A 23 14.479 4.985 23.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.879 4.408 21.344 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.399 5.912 22.167 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.182 5.982 20.570 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.320 3.821 21.121 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.638 5.393 20.351 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.560 4.906 21.793 1.00 0.00 H new ATOM 277 N ILE A 24 17.346 7.003 22.436 1.00 0.00 N ATOM 278 CA ILE A 24 18.663 7.057 23.084 1.00 0.00 C ATOM 279 C ILE A 24 18.637 8.111 24.189 1.00 0.00 C ATOM 280 O ILE A 24 19.201 7.920 25.267 1.00 0.00 O ATOM 281 CB ILE A 24 19.750 7.430 22.074 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.621 6.548 20.833 1.00 0.00 C ATOM 283 CG2 ILE A 24 21.129 7.237 22.704 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.604 5.063 21.227 1.00 0.00 C ATOM 0 H ILE A 24 17.364 6.949 21.418 1.00 0.00 H new ATOM 0 HA ILE A 24 18.886 6.074 23.498 1.00 0.00 H new ATOM 0 HB ILE A 24 19.632 8.475 21.787 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.706 6.798 20.295 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.452 6.741 20.155 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.900 7.504 21.981 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.220 7.875 23.583 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.252 6.195 22.998 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.512 4.450 20.331 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.531 4.813 21.744 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.758 4.871 21.887 1.00 0.00 H new ATOM 296 N THR A 25 17.958 9.217 23.905 1.00 0.00 N ATOM 297 CA THR A 25 17.840 10.293 24.887 1.00 0.00 C ATOM 298 C THR A 25 17.097 9.781 26.131 1.00 0.00 C ATOM 299 O THR A 25 17.574 9.926 27.255 1.00 0.00 O ATOM 300 CB THR A 25 17.147 11.526 24.253 1.00 0.00 C ATOM 301 OG1 THR A 25 17.721 12.709 24.788 1.00 0.00 O ATOM 302 CG2 THR A 25 15.630 11.543 24.507 1.00 0.00 C ATOM 0 H THR A 25 17.487 9.393 23.018 1.00 0.00 H new ATOM 0 HA THR A 25 18.833 10.613 25.204 1.00 0.00 H new ATOM 0 HB THR A 25 17.300 11.471 23.175 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.288 13.492 24.389 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.193 12.427 24.042 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.179 10.648 24.079 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.441 11.567 25.580 1.00 0.00 H new ATOM 310 N LEU A 26 15.929 9.187 25.909 1.00 0.00 N ATOM 311 CA LEU A 26 15.113 8.659 27.004 1.00 0.00 C ATOM 312 C LEU A 26 15.972 7.812 27.937 1.00 0.00 C ATOM 313 O LEU A 26 15.856 7.902 29.158 1.00 0.00 O ATOM 314 CB LEU A 26 13.961 7.830 26.408 1.00 0.00 C ATOM 315 CG LEU A 26 13.166 7.053 27.487 1.00 0.00 C ATOM 316 CD1 LEU A 26 13.959 5.833 28.019 1.00 0.00 C ATOM 317 CD2 LEU A 26 12.775 7.991 28.646 1.00 0.00 C ATOM 0 H LEU A 26 15.524 9.058 24.982 1.00 0.00 H new ATOM 0 HA LEU A 26 14.697 9.479 27.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.283 8.492 25.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.364 7.125 25.681 1.00 0.00 H new ATOM 0 HG LEU A 26 12.258 6.673 27.018 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.367 5.315 28.774 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.174 5.152 27.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.895 6.173 28.462 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.217 7.430 29.396 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.676 8.405 29.099 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.155 8.802 28.264 1.00 0.00 H new ATOM 329 N VAL A 27 16.864 7.024 27.366 1.00 0.00 N ATOM 330 CA VAL A 27 17.749 6.215 28.193 1.00 0.00 C ATOM 331 C VAL A 27 18.682 7.133 28.977 1.00 0.00 C ATOM 332 O VAL A 27 18.617 7.209 30.200 1.00 0.00 O ATOM 333 CB VAL A 27 18.563 5.259 27.325 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.241 4.214 28.216 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.635 4.555 26.334 1.00 0.00 C ATOM 0 H VAL A 27 16.996 6.925 26.359 1.00 0.00 H new ATOM 0 HA VAL A 27 17.151 5.624 28.886 1.00 0.00 H new ATOM 0 HB VAL A 27 19.321 5.820 26.779 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.823 3.531 27.597 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.902 4.714 28.925 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.482 3.653 28.761 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.216 3.872 25.714 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.877 3.993 26.881 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.149 5.297 25.700 1.00 0.00 H new ATOM 345 N MET A 28 19.550 7.822 28.251 1.00 0.00 N ATOM 346 CA MET A 28 20.506 8.738 28.867 1.00 0.00 C ATOM 347 C MET A 28 19.808 9.686 29.838 1.00 0.00 C ATOM 348 O MET A 28 20.429 10.186 30.776 1.00 0.00 O ATOM 349 CB MET A 28 21.226 9.548 27.786 1.00 0.00 C ATOM 350 CG MET A 28 22.052 8.608 26.898 1.00 0.00 C ATOM 351 SD MET A 28 23.381 7.839 27.863 1.00 0.00 S ATOM 352 CE MET A 28 24.579 9.196 27.777 1.00 0.00 C ATOM 0 H MET A 28 19.614 7.766 27.235 1.00 0.00 H new ATOM 0 HA MET A 28 21.232 8.146 29.424 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.500 10.091 27.181 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.876 10.292 28.248 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.408 7.837 26.474 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.475 9.165 26.062 1.00 0.00 H new ATOM 0 HE1 MET A 28 25.531 8.868 28.194 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.720 9.491 26.737 1.00 0.00 H new ATOM 0 HE3 MET A 28 24.207 10.047 28.348 1.00 0.00 H new ATOM 362 N LEU A 29 18.515 9.918 29.628 1.00 0.00 N ATOM 363 CA LEU A 29 17.764 10.793 30.522 1.00 0.00 C ATOM 364 C LEU A 29 17.499 10.088 31.846 1.00 0.00 C ATOM 365 O LEU A 29 17.327 10.738 32.870 1.00 0.00 O ATOM 366 CB LEU A 29 16.439 11.244 29.881 1.00 0.00 C ATOM 367 CG LEU A 29 16.689 12.388 28.875 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.385 12.702 28.129 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.181 13.661 29.605 1.00 0.00 C ATOM 0 H LEU A 29 17.974 9.520 28.861 1.00 0.00 H new ATOM 0 HA LEU A 29 18.365 11.683 30.707 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.968 10.402 29.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.748 11.577 30.655 1.00 0.00 H new ATOM 0 HG LEU A 29 17.457 12.071 28.169 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.558 13.510 27.418 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.049 11.814 27.595 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.621 13.006 28.844 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.351 14.455 28.878 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.427 13.983 30.324 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.112 13.443 30.129 1.00 0.00 H new ATOM 381 N LYS A 30 17.472 8.757 31.832 1.00 0.00 N ATOM 382 CA LYS A 30 17.231 8.008 33.061 1.00 0.00 C ATOM 383 C LYS A 30 18.072 8.567 34.209 1.00 0.00 C ATOM 384 O LYS A 30 17.825 8.258 35.375 1.00 0.00 O ATOM 385 CB LYS A 30 17.573 6.528 32.866 1.00 0.00 C ATOM 386 CG LYS A 30 16.531 5.863 31.965 1.00 0.00 C ATOM 387 CD LYS A 30 16.907 4.393 31.761 1.00 0.00 C ATOM 388 CE LYS A 30 15.822 3.691 30.940 1.00 0.00 C ATOM 389 NZ LYS A 30 16.201 2.265 30.738 1.00 0.00 N ATOM 0 H LYS A 30 17.611 8.184 30.999 1.00 0.00 H new ATOM 0 HA LYS A 30 16.174 8.107 33.307 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.564 6.431 32.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.605 6.024 33.832 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.542 5.939 32.416 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.483 6.375 31.004 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.867 4.321 31.250 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.022 3.900 32.726 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.863 3.755 31.454 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.701 4.187 29.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.465 1.786 30.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.107 2.215 30.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.295 1.797 31.662 1.00 0.00 H new ATOM 403 N LYS A 31 19.058 9.405 33.875 1.00 0.00 N ATOM 404 CA LYS A 31 19.919 10.017 34.890 1.00 0.00 C ATOM 405 C LYS A 31 19.427 11.426 35.223 1.00 0.00 C ATOM 406 O LYS A 31 20.180 12.247 35.745 1.00 0.00 O ATOM 407 CB LYS A 31 21.361 10.091 34.385 1.00 0.00 C ATOM 408 CG LYS A 31 21.929 8.679 34.241 1.00 0.00 C ATOM 409 CD LYS A 31 23.399 8.761 33.815 1.00 0.00 C ATOM 410 CE LYS A 31 23.516 9.388 32.414 1.00 0.00 C ATOM 411 NZ LYS A 31 23.671 10.864 32.548 1.00 0.00 N ATOM 0 H LYS A 31 19.279 9.673 32.916 1.00 0.00 H new ATOM 0 HA LYS A 31 19.882 9.401 35.788 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.394 10.607 33.425 1.00 0.00 H new ATOM 0 HB3 LYS A 31 21.970 10.670 35.079 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.842 8.142 35.186 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.356 8.118 33.502 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.961 9.356 34.535 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.840 7.764 33.813 1.00 0.00 H new ATOM 0 HE2 LYS A 31 24.371 8.967 31.885 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.630 9.156 31.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.876 11.341 32.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.681 11.122 33.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 24.564 11.161 32.106 1.00 0.00 H new ATOM 425 N LYS A 32 18.155 11.693 34.916 1.00 0.00 N ATOM 426 CA LYS A 32 17.551 13.004 35.185 1.00 0.00 C ATOM 427 C LYS A 32 18.079 13.576 36.505 1.00 0.00 C ATOM 428 O LYS A 32 19.033 14.335 36.459 1.00 0.00 O ATOM 429 CB LYS A 32 16.010 12.874 35.250 1.00 0.00 C ATOM 430 CG LYS A 32 15.385 13.135 33.866 1.00 0.00 C ATOM 431 CD LYS A 32 13.869 12.856 33.902 1.00 0.00 C ATOM 432 CE LYS A 32 13.592 11.366 33.655 1.00 0.00 C ATOM 433 NZ LYS A 32 14.027 11.001 32.277 1.00 0.00 N ATOM 0 H LYS A 32 17.523 11.021 34.481 1.00 0.00 H new ATOM 0 HA LYS A 32 17.820 13.682 34.376 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.738 11.877 35.596 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.610 13.583 35.975 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.565 14.168 33.567 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.861 12.500 33.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.461 13.153 34.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.364 13.456 33.145 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.124 10.760 34.388 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.529 11.157 33.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.421 10.238 31.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.949 11.832 31.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.015 10.677 32.299 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -5.935 -2.539 4.741 1.00 0.00 N ATOM 449 CA LYS B 5 -4.693 -1.722 4.846 1.00 0.00 C ATOM 450 C LYS B 5 -4.411 -1.435 6.321 1.00 0.00 C ATOM 451 O LYS B 5 -3.370 -0.877 6.667 1.00 0.00 O ATOM 452 CB LYS B 5 -4.887 -0.407 4.063 1.00 0.00 C ATOM 453 CG LYS B 5 -4.421 -0.580 2.610 1.00 0.00 C ATOM 454 CD LYS B 5 -5.222 -1.698 1.940 1.00 0.00 C ATOM 455 CE LYS B 5 -4.836 -1.788 0.463 1.00 0.00 C ATOM 456 NZ LYS B 5 -5.602 -2.890 -0.186 1.00 0.00 N ATOM 0 HA LYS B 5 -3.845 -2.260 4.423 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.937 -0.115 4.083 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.324 0.395 4.540 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.553 0.353 2.062 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.357 -0.817 2.585 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.026 -2.648 2.437 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -6.290 -1.503 2.036 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.045 -0.842 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.766 -1.969 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.339 -2.951 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.381 -3.791 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.621 -2.698 -0.106 1.00 0.00 H new ATOM 469 N GLY B 6 -5.346 -1.823 7.182 1.00 0.00 N ATOM 470 CA GLY B 6 -5.188 -1.607 8.616 1.00 0.00 C ATOM 471 C GLY B 6 -4.029 -2.426 9.167 1.00 0.00 C ATOM 472 O GLY B 6 -3.475 -2.104 10.215 1.00 0.00 O ATOM 0 H GLY B 6 -6.215 -2.285 6.915 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -5.015 -0.549 8.811 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -6.108 -1.880 9.132 1.00 0.00 H new ATOM 476 N ALA B 7 -3.667 -3.488 8.459 1.00 0.00 N ATOM 477 CA ALA B 7 -2.566 -4.339 8.894 1.00 0.00 C ATOM 478 C ALA B 7 -1.232 -3.735 8.466 1.00 0.00 C ATOM 479 O ALA B 7 -0.187 -4.042 9.038 1.00 0.00 O ATOM 480 CB ALA B 7 -2.713 -5.734 8.284 1.00 0.00 C ATOM 0 H ALA B 7 -4.114 -3.779 7.590 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.592 -4.414 9.981 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.887 -6.364 8.613 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.656 -6.175 8.607 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.701 -5.659 7.197 1.00 0.00 H new ATOM 486 N ILE B 8 -1.278 -2.875 7.450 1.00 0.00 N ATOM 487 CA ILE B 8 -0.068 -2.234 6.945 1.00 0.00 C ATOM 488 C ILE B 8 0.557 -1.330 8.004 1.00 0.00 C ATOM 489 O ILE B 8 1.763 -1.392 8.249 1.00 0.00 O ATOM 490 CB ILE B 8 -0.393 -1.403 5.699 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.091 -2.280 4.633 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.899 -0.803 5.134 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.073 -3.074 3.800 1.00 0.00 C ATOM 0 H ILE B 8 -2.134 -2.608 6.964 1.00 0.00 H new ATOM 0 HA ILE B 8 0.644 -3.018 6.689 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.072 -0.596 5.974 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.779 -2.970 5.122 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.687 -1.648 3.975 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.668 -0.212 4.248 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.363 -0.164 5.886 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.586 -1.606 4.866 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.600 -3.679 3.062 1.00 0.00 H new ATOM 0 HD12 ILE B 8 0.599 -2.383 3.291 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.505 -3.725 4.456 1.00 0.00 H new ATOM 505 N ILE B 9 -0.261 -0.486 8.630 1.00 0.00 N ATOM 506 CA ILE B 9 0.245 0.420 9.653 1.00 0.00 C ATOM 507 C ILE B 9 0.686 -0.375 10.882 1.00 0.00 C ATOM 508 O ILE B 9 1.735 -0.109 11.469 1.00 0.00 O ATOM 509 CB ILE B 9 -0.842 1.440 10.034 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.231 2.584 10.868 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.929 0.744 10.853 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.456 3.609 9.954 1.00 0.00 C ATOM 0 H ILE B 9 -1.262 -0.412 8.449 1.00 0.00 H new ATOM 0 HA ILE B 9 1.107 0.959 9.259 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.273 1.854 9.122 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.011 3.073 11.451 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.491 2.179 11.577 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.699 1.466 11.123 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.373 -0.057 10.262 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.490 0.325 11.759 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.881 4.409 10.560 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.250 3.119 9.390 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.275 4.027 9.262 1.00 0.00 H new ATOM 524 N GLY B 10 -0.139 -1.349 11.258 1.00 0.00 N ATOM 525 CA GLY B 10 0.143 -2.195 12.416 1.00 0.00 C ATOM 526 C GLY B 10 1.637 -2.489 12.551 1.00 0.00 C ATOM 527 O GLY B 10 2.194 -2.424 13.646 1.00 0.00 O ATOM 0 H GLY B 10 -1.010 -1.573 10.777 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.214 -1.704 13.321 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.406 -3.132 12.324 1.00 0.00 H new ATOM 531 N LEU B 11 2.285 -2.792 11.428 1.00 0.00 N ATOM 532 CA LEU B 11 3.719 -3.069 11.434 1.00 0.00 C ATOM 533 C LEU B 11 4.515 -1.773 11.506 1.00 0.00 C ATOM 534 O LEU B 11 5.579 -1.718 12.115 1.00 0.00 O ATOM 535 CB LEU B 11 4.121 -3.845 10.178 1.00 0.00 C ATOM 536 CG LEU B 11 3.567 -5.275 10.239 1.00 0.00 C ATOM 537 CD1 LEU B 11 3.813 -5.961 8.892 1.00 0.00 C ATOM 538 CD2 LEU B 11 4.260 -6.073 11.368 1.00 0.00 C ATOM 0 H LEU B 11 1.844 -2.852 10.510 1.00 0.00 H new ATOM 0 HA LEU B 11 3.941 -3.673 12.314 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.741 -3.338 9.291 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.207 -3.871 10.090 1.00 0.00 H new ATOM 0 HG LEU B 11 2.498 -5.240 10.448 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.423 -6.978 8.925 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.308 -5.404 8.103 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.883 -5.990 8.688 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.856 -7.085 11.399 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.332 -6.116 11.178 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.080 -5.582 12.324 1.00 0.00 H new ATOM 550 N MET B 12 3.998 -0.738 10.862 1.00 0.00 N ATOM 551 CA MET B 12 4.654 0.550 10.832 1.00 0.00 C ATOM 552 C MET B 12 4.851 1.102 12.239 1.00 0.00 C ATOM 553 O MET B 12 5.978 1.287 12.694 1.00 0.00 O ATOM 554 CB MET B 12 3.765 1.486 10.019 1.00 0.00 C ATOM 555 CG MET B 12 4.550 2.674 9.498 1.00 0.00 C ATOM 556 SD MET B 12 4.919 3.819 10.857 1.00 0.00 S ATOM 557 CE MET B 12 6.711 3.563 10.933 1.00 0.00 C ATOM 0 H MET B 12 3.117 -0.771 10.350 1.00 0.00 H new ATOM 0 HA MET B 12 5.643 0.458 10.384 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.328 0.941 9.183 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.939 1.836 10.638 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.477 2.334 9.037 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.978 3.187 8.724 1.00 0.00 H new ATOM 0 HE1 MET B 12 7.068 3.786 11.938 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.941 2.526 10.688 1.00 0.00 H new ATOM 0 HE3 MET B 12 7.203 4.223 10.219 1.00 0.00 H new ATOM 567 N VAL B 13 3.746 1.364 12.917 1.00 0.00 N ATOM 568 CA VAL B 13 3.803 1.899 14.267 1.00 0.00 C ATOM 569 C VAL B 13 4.279 0.844 15.256 1.00 0.00 C ATOM 570 O VAL B 13 4.787 1.175 16.324 1.00 0.00 O ATOM 571 CB VAL B 13 2.432 2.431 14.669 1.00 0.00 C ATOM 572 CG1 VAL B 13 2.044 3.560 13.714 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.399 1.305 14.582 1.00 0.00 C ATOM 0 H VAL B 13 2.803 1.216 12.557 1.00 0.00 H new ATOM 0 HA VAL B 13 4.522 2.718 14.285 1.00 0.00 H new ATOM 0 HB VAL B 13 2.464 2.806 15.692 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.064 3.950 13.990 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.783 4.359 13.776 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.007 3.177 12.694 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.419 1.687 14.870 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.356 0.929 13.560 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.685 0.496 15.254 1.00 0.00 H new ATOM 583 N GLY B 14 4.126 -0.426 14.901 1.00 0.00 N ATOM 584 CA GLY B 14 4.569 -1.500 15.781 1.00 0.00 C ATOM 585 C GLY B 14 6.094 -1.610 15.784 1.00 0.00 C ATOM 586 O GLY B 14 6.716 -1.718 16.841 1.00 0.00 O ATOM 0 H GLY B 14 3.705 -0.734 14.024 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.212 -1.316 16.794 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.133 -2.445 15.456 1.00 0.00 H new ATOM 590 N GLY B 15 6.685 -1.610 14.589 1.00 0.00 N ATOM 591 CA GLY B 15 8.131 -1.741 14.467 1.00 0.00 C ATOM 592 C GLY B 15 8.848 -0.705 15.319 1.00 0.00 C ATOM 593 O GLY B 15 9.735 -1.040 16.095 1.00 0.00 O ATOM 0 H GLY B 15 6.188 -1.522 13.702 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.436 -2.742 14.773 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.423 -1.624 13.423 1.00 0.00 H new ATOM 597 N VAL B 16 8.473 0.553 15.154 1.00 0.00 N ATOM 598 CA VAL B 16 9.121 1.611 15.912 1.00 0.00 C ATOM 599 C VAL B 16 9.132 1.260 17.396 1.00 0.00 C ATOM 600 O VAL B 16 10.170 1.360 18.045 1.00 0.00 O ATOM 601 CB VAL B 16 8.425 2.957 15.683 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.777 3.486 14.292 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.912 2.788 15.787 1.00 0.00 C ATOM 0 H VAL B 16 7.739 0.863 14.516 1.00 0.00 H new ATOM 0 HA VAL B 16 10.150 1.703 15.564 1.00 0.00 H new ATOM 0 HB VAL B 16 8.762 3.663 16.442 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.281 4.443 14.131 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.856 3.619 14.216 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.445 2.774 13.537 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.426 3.750 15.623 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.573 2.077 15.034 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.655 2.416 16.779 1.00 0.00 H new ATOM 613 N VAL B 17 7.989 0.849 17.934 1.00 0.00 N ATOM 614 CA VAL B 17 7.913 0.501 19.352 1.00 0.00 C ATOM 615 C VAL B 17 8.891 -0.628 19.693 1.00 0.00 C ATOM 616 O VAL B 17 9.602 -0.554 20.695 1.00 0.00 O ATOM 617 CB VAL B 17 6.489 0.074 19.721 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.466 -0.414 21.172 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.543 1.270 19.580 1.00 0.00 C ATOM 0 H VAL B 17 7.113 0.749 17.421 1.00 0.00 H new ATOM 0 HA VAL B 17 8.185 1.385 19.928 1.00 0.00 H new ATOM 0 HB VAL B 17 6.168 -0.728 19.056 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.454 -0.719 21.437 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.141 -1.263 21.281 1.00 0.00 H new ATOM 0 HG13 VAL B 17 6.787 0.392 21.832 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.530 0.966 19.843 1.00 0.00 H new ATOM 0 HG22 VAL B 17 5.866 2.070 20.246 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.559 1.627 18.550 1.00 0.00 H new ATOM 629 N ILE B 18 8.933 -1.665 18.863 1.00 0.00 N ATOM 630 CA ILE B 18 9.852 -2.774 19.125 1.00 0.00 C ATOM 631 C ILE B 18 11.288 -2.252 19.058 1.00 0.00 C ATOM 632 O ILE B 18 12.123 -2.554 19.910 1.00 0.00 O ATOM 633 CB ILE B 18 9.647 -3.885 18.083 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.264 -4.547 18.275 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.755 -4.937 18.215 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.282 -5.594 19.405 1.00 0.00 C ATOM 0 H ILE B 18 8.360 -1.764 18.025 1.00 0.00 H new ATOM 0 HA ILE B 18 9.657 -3.187 20.115 1.00 0.00 H new ATOM 0 HB ILE B 18 9.691 -3.446 17.086 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.523 -3.781 18.501 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.956 -5.023 17.344 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.603 -5.721 17.473 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.725 -4.467 18.052 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.726 -5.372 19.214 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.291 -6.036 19.508 1.00 0.00 H new ATOM 0 HD12 ILE B 18 9.004 -6.375 19.166 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.564 -5.113 20.342 1.00 0.00 H new ATOM 648 N ALA B 19 11.545 -1.471 18.020 1.00 0.00 N ATOM 649 CA ALA B 19 12.867 -0.892 17.796 1.00 0.00 C ATOM 650 C ALA B 19 13.312 -0.079 19.009 1.00 0.00 C ATOM 651 O ALA B 19 14.486 -0.096 19.381 1.00 0.00 O ATOM 652 CB ALA B 19 12.838 0.005 16.556 1.00 0.00 C ATOM 0 H ALA B 19 10.853 -1.221 17.314 1.00 0.00 H new ATOM 0 HA ALA B 19 13.578 -1.704 17.641 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.827 0.434 16.394 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.552 -0.586 15.686 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.114 0.807 16.704 1.00 0.00 H new ATOM 658 N THR B 20 12.369 0.625 19.626 1.00 0.00 N ATOM 659 CA THR B 20 12.677 1.435 20.801 1.00 0.00 C ATOM 660 C THR B 20 13.030 0.545 21.979 1.00 0.00 C ATOM 661 O THR B 20 13.727 0.973 22.893 1.00 0.00 O ATOM 662 CB THR B 20 11.462 2.300 21.194 1.00 0.00 C ATOM 663 OG1 THR B 20 10.419 1.444 21.636 1.00 0.00 O ATOM 664 CG2 THR B 20 10.946 3.131 19.999 1.00 0.00 C ATOM 0 H THR B 20 11.392 0.652 19.335 1.00 0.00 H new ATOM 0 HA THR B 20 13.523 2.076 20.551 1.00 0.00 H new ATOM 0 HB THR B 20 11.771 2.987 21.982 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.442 0.609 21.123 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.090 3.728 20.313 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.738 3.791 19.646 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.645 2.462 19.193 1.00 0.00 H new ATOM 672 N MET B 21 12.516 -0.680 21.962 1.00 0.00 N ATOM 673 CA MET B 21 12.753 -1.627 23.050 1.00 0.00 C ATOM 674 C MET B 21 14.047 -2.415 22.875 1.00 0.00 C ATOM 675 O MET B 21 14.743 -2.672 23.858 1.00 0.00 O ATOM 676 CB MET B 21 11.572 -2.598 23.151 1.00 0.00 C ATOM 677 CG MET B 21 10.317 -1.840 23.599 1.00 0.00 C ATOM 678 SD MET B 21 10.524 -1.266 25.309 1.00 0.00 S ATOM 679 CE MET B 21 10.078 0.471 25.051 1.00 0.00 C ATOM 0 H MET B 21 11.932 -1.042 21.208 1.00 0.00 H new ATOM 0 HA MET B 21 12.851 -1.046 23.967 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.396 -3.074 22.186 1.00 0.00 H new ATOM 0 HB3 MET B 21 11.802 -3.393 23.861 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.139 -0.991 22.939 1.00 0.00 H new ATOM 0 HG3 MET B 21 9.444 -2.488 23.526 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.143 1.008 25.997 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.763 0.920 24.332 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.059 0.532 24.668 1.00 0.00 H new ATOM 689 N ILE B 22 14.386 -2.809 21.649 1.00 0.00 N ATOM 690 CA ILE B 22 15.611 -3.567 21.436 1.00 0.00 C ATOM 691 C ILE B 22 16.840 -2.694 21.671 1.00 0.00 C ATOM 692 O ILE B 22 17.801 -3.118 22.309 1.00 0.00 O ATOM 693 CB ILE B 22 15.624 -4.114 20.006 1.00 0.00 C ATOM 694 CG1 ILE B 22 14.511 -5.154 19.855 1.00 0.00 C ATOM 695 CG2 ILE B 22 16.974 -4.774 19.713 1.00 0.00 C ATOM 696 CD1 ILE B 22 14.313 -5.483 18.374 1.00 0.00 C ATOM 0 H ILE B 22 13.842 -2.620 20.807 1.00 0.00 H new ATOM 0 HA ILE B 22 15.642 -4.392 22.147 1.00 0.00 H new ATOM 0 HB ILE B 22 15.465 -3.294 19.305 1.00 0.00 H new ATOM 0 HG12 ILE B 22 14.767 -6.058 20.408 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.583 -4.772 20.280 1.00 0.00 H new ATOM 0 HG21 ILE B 22 16.976 -5.161 18.694 1.00 0.00 H new ATOM 0 HG22 ILE B 22 17.770 -4.038 19.823 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.138 -5.594 20.413 1.00 0.00 H new ATOM 0 HD11 ILE B 22 13.520 -6.224 18.269 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.038 -4.577 17.834 1.00 0.00 H new ATOM 0 HD13 ILE B 22 15.240 -5.883 17.963 1.00 0.00 H new ATOM 708 N VAL B 23 16.817 -1.486 21.113 1.00 0.00 N ATOM 709 CA VAL B 23 17.945 -0.563 21.216 1.00 0.00 C ATOM 710 C VAL B 23 18.322 -0.267 22.658 1.00 0.00 C ATOM 711 O VAL B 23 19.499 -0.092 22.963 1.00 0.00 O ATOM 712 CB VAL B 23 17.581 0.744 20.515 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.258 0.467 19.036 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.360 1.373 21.210 1.00 0.00 C ATOM 0 H VAL B 23 16.026 -1.122 20.582 1.00 0.00 H new ATOM 0 HA VAL B 23 18.805 -1.036 20.743 1.00 0.00 H new ATOM 0 HB VAL B 23 18.423 1.434 20.571 1.00 0.00 H new ATOM 0 HG11 VAL B 23 16.999 1.402 18.539 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.129 0.027 18.550 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.418 -0.224 18.970 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.098 2.306 20.711 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.517 0.684 21.157 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.599 1.574 22.254 1.00 0.00 H new ATOM 724 N ILE B 24 17.340 -0.213 23.554 1.00 0.00 N ATOM 725 CA ILE B 24 17.648 0.062 24.963 1.00 0.00 C ATOM 726 C ILE B 24 18.869 -0.756 25.381 1.00 0.00 C ATOM 727 O ILE B 24 19.736 -0.280 26.114 1.00 0.00 O ATOM 728 CB ILE B 24 16.470 -0.323 25.860 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.182 0.276 25.301 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.710 0.198 27.279 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.343 1.789 25.081 1.00 0.00 C ATOM 0 H ILE B 24 16.351 -0.351 23.344 1.00 0.00 H new ATOM 0 HA ILE B 24 17.846 1.128 25.072 1.00 0.00 H new ATOM 0 HB ILE B 24 16.378 -1.409 25.888 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.927 -0.209 24.359 1.00 0.00 H new ATOM 0 HG13 ILE B 24 14.358 0.088 25.989 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.869 -0.078 27.915 1.00 0.00 H new ATOM 0 HG22 ILE B 24 17.625 -0.240 27.677 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.807 1.283 27.257 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.415 2.199 24.682 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.575 2.272 26.030 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.153 1.970 24.374 1.00 0.00 H new ATOM 743 N THR B 25 18.927 -1.986 24.883 1.00 0.00 N ATOM 744 CA THR B 25 20.057 -2.863 25.190 1.00 0.00 C ATOM 745 C THR B 25 21.354 -2.248 24.643 1.00 0.00 C ATOM 746 O THR B 25 22.337 -2.104 25.366 1.00 0.00 O ATOM 747 CB THR B 25 19.798 -4.286 24.633 1.00 0.00 C ATOM 748 OG1 THR B 25 20.347 -5.242 25.527 1.00 0.00 O ATOM 749 CG2 THR B 25 20.414 -4.490 23.238 1.00 0.00 C ATOM 0 H THR B 25 18.219 -2.396 24.274 1.00 0.00 H new ATOM 0 HA THR B 25 20.168 -2.958 26.270 1.00 0.00 H new ATOM 0 HB THR B 25 18.719 -4.413 24.540 1.00 0.00 H new ATOM 0 HG1 THR B 25 20.185 -6.144 25.181 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.205 -5.502 22.892 1.00 0.00 H new ATOM 0 HG22 THR B 25 19.982 -3.772 22.541 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.492 -4.340 23.291 1.00 0.00 H new ATOM 757 N LEU B 26 21.337 -1.893 23.361 1.00 0.00 N ATOM 758 CA LEU B 26 22.506 -1.303 22.710 1.00 0.00 C ATOM 759 C LEU B 26 23.066 -0.170 23.565 1.00 0.00 C ATOM 760 O LEU B 26 24.278 -0.045 23.732 1.00 0.00 O ATOM 761 CB LEU B 26 22.093 -0.791 21.319 1.00 0.00 C ATOM 762 CG LEU B 26 23.205 0.041 20.635 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.343 1.448 21.269 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.550 -0.710 20.691 1.00 0.00 C ATOM 0 H LEU B 26 20.527 -2.003 22.751 1.00 0.00 H new ATOM 0 HA LEU B 26 23.289 -2.053 22.597 1.00 0.00 H new ATOM 0 HB2 LEU B 26 21.838 -1.640 20.685 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.194 -0.181 21.413 1.00 0.00 H new ATOM 0 HG LEU B 26 22.919 0.178 19.592 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.134 2.000 20.761 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.401 1.987 21.167 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.592 1.348 22.326 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.321 -0.112 20.206 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.826 -0.884 21.731 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.455 -1.666 20.176 1.00 0.00 H new ATOM 776 N VAL B 27 22.186 0.625 24.144 1.00 0.00 N ATOM 777 CA VAL B 27 22.642 1.702 25.009 1.00 0.00 C ATOM 778 C VAL B 27 23.302 1.106 26.249 1.00 0.00 C ATOM 779 O VAL B 27 24.503 1.254 26.463 1.00 0.00 O ATOM 780 CB VAL B 27 21.471 2.593 25.417 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.007 3.879 26.052 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.643 2.944 24.179 1.00 0.00 C ATOM 0 H VAL B 27 21.174 0.551 24.037 1.00 0.00 H new ATOM 0 HA VAL B 27 23.365 2.313 24.468 1.00 0.00 H new ATOM 0 HB VAL B 27 20.845 2.065 26.136 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.172 4.516 26.344 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.599 3.631 26.933 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.632 4.407 25.332 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.807 3.580 24.469 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.269 3.473 23.460 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.263 2.029 23.724 1.00 0.00 H new ATOM 792 N MET B 28 22.498 0.435 27.061 1.00 0.00 N ATOM 793 CA MET B 28 22.992 -0.187 28.285 1.00 0.00 C ATOM 794 C MET B 28 24.233 -1.031 28.009 1.00 0.00 C ATOM 795 O MET B 28 25.056 -1.240 28.901 1.00 0.00 O ATOM 796 CB MET B 28 21.900 -1.065 28.902 1.00 0.00 C ATOM 797 CG MET B 28 20.709 -0.192 29.321 1.00 0.00 C ATOM 798 SD MET B 28 21.197 0.942 30.649 1.00 0.00 S ATOM 799 CE MET B 28 21.023 -0.203 32.043 1.00 0.00 C ATOM 0 H MET B 28 21.500 0.306 26.896 1.00 0.00 H new ATOM 0 HA MET B 28 23.262 0.606 28.983 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.576 -1.818 28.183 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.294 -1.598 29.767 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.346 0.375 28.464 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.887 -0.824 29.657 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.179 0.102 32.661 1.00 0.00 H new ATOM 0 HE2 MET B 28 20.852 -1.211 31.666 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.934 -0.189 32.641 1.00 0.00 H new ATOM 809 N LEU B 29 24.382 -1.497 26.772 1.00 0.00 N ATOM 810 CA LEU B 29 25.553 -2.293 26.415 1.00 0.00 C ATOM 811 C LEU B 29 26.780 -1.399 26.305 1.00 0.00 C ATOM 812 O LEU B 29 27.902 -1.862 26.482 1.00 0.00 O ATOM 813 CB LEU B 29 25.327 -3.059 25.099 1.00 0.00 C ATOM 814 CG LEU B 29 24.470 -4.319 25.348 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.118 -4.968 24.003 1.00 0.00 C ATOM 816 CD2 LEU B 29 25.239 -5.338 26.223 1.00 0.00 C ATOM 0 H LEU B 29 23.720 -1.341 26.012 1.00 0.00 H new ATOM 0 HA LEU B 29 25.718 -3.027 27.204 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.832 -2.412 24.375 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.287 -3.344 24.668 1.00 0.00 H new ATOM 0 HG LEU B 29 23.560 -4.025 25.871 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.513 -5.858 24.176 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.556 -4.260 23.393 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.034 -5.248 23.483 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.618 -6.219 26.387 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.158 -5.632 25.717 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.483 -4.882 27.183 1.00 0.00 H new ATOM 828 N LYS B 30 26.575 -0.117 26.018 1.00 0.00 N ATOM 829 CA LYS B 30 27.700 0.807 25.901 1.00 0.00 C ATOM 830 C LYS B 30 28.679 0.612 27.060 1.00 0.00 C ATOM 831 O LYS B 30 29.811 1.095 27.012 1.00 0.00 O ATOM 832 CB LYS B 30 27.210 2.257 25.899 1.00 0.00 C ATOM 833 CG LYS B 30 26.504 2.569 24.578 1.00 0.00 C ATOM 834 CD LYS B 30 25.998 4.013 24.607 1.00 0.00 C ATOM 835 CE LYS B 30 25.372 4.368 23.257 1.00 0.00 C ATOM 836 NZ LYS B 30 24.873 5.772 23.297 1.00 0.00 N ATOM 0 H LYS B 30 25.657 0.301 25.864 1.00 0.00 H new ATOM 0 HA LYS B 30 28.207 0.596 24.959 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.527 2.420 26.733 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.052 2.934 26.040 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.190 2.428 23.743 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.671 1.882 24.426 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.263 4.135 25.403 1.00 0.00 H new ATOM 0 HD3 LYS B 30 26.821 4.693 24.827 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.108 4.254 22.461 1.00 0.00 H new ATOM 0 HE3 LYS B 30 24.552 3.685 23.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 24.447 6.015 22.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.158 5.865 24.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.665 6.417 23.492 1.00 0.00 H new ATOM 850 N LYS B 31 28.244 -0.111 28.097 1.00 0.00 N ATOM 851 CA LYS B 31 29.098 -0.379 29.256 1.00 0.00 C ATOM 852 C LYS B 31 29.744 -1.759 29.131 1.00 0.00 C ATOM 853 O LYS B 31 30.183 -2.339 30.125 1.00 0.00 O ATOM 854 CB LYS B 31 28.274 -0.322 30.544 1.00 0.00 C ATOM 855 CG LYS B 31 27.789 1.110 30.780 1.00 0.00 C ATOM 856 CD LYS B 31 27.034 1.178 32.113 1.00 0.00 C ATOM 857 CE LYS B 31 25.755 0.324 32.050 1.00 0.00 C ATOM 858 NZ LYS B 31 26.064 -1.058 32.516 1.00 0.00 N ATOM 0 H LYS B 31 27.311 -0.519 28.157 1.00 0.00 H new ATOM 0 HA LYS B 31 29.878 0.382 29.291 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.422 -0.998 30.473 1.00 0.00 H new ATOM 0 HB3 LYS B 31 28.877 -0.656 31.388 1.00 0.00 H new ATOM 0 HG2 LYS B 31 28.637 1.795 30.794 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.138 1.425 29.964 1.00 0.00 H new ATOM 0 HD2 LYS B 31 27.676 0.824 32.920 1.00 0.00 H new ATOM 0 HD3 LYS B 31 26.777 2.213 32.340 1.00 0.00 H new ATOM 0 HE2 LYS B 31 24.978 0.765 32.674 1.00 0.00 H new ATOM 0 HE3 LYS B 31 25.370 0.299 31.031 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 25.827 -1.738 31.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 27.077 -1.130 32.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 25.504 -1.271 33.366 1.00 0.00 H new ATOM 872 N LYS B 32 29.800 -2.273 27.899 1.00 0.00 N ATOM 873 CA LYS B 32 30.398 -3.588 27.635 1.00 0.00 C ATOM 874 C LYS B 32 31.620 -3.812 28.533 1.00 0.00 C ATOM 875 O LYS B 32 31.456 -4.406 29.585 1.00 0.00 O ATOM 876 CB LYS B 32 30.817 -3.690 26.148 1.00 0.00 C ATOM 877 CG LYS B 32 29.681 -4.302 25.307 1.00 0.00 C ATOM 878 CD LYS B 32 30.043 -4.261 23.809 1.00 0.00 C ATOM 879 CE LYS B 32 29.652 -2.907 23.199 1.00 0.00 C ATOM 880 NZ LYS B 32 28.171 -2.746 23.251 1.00 0.00 N ATOM 0 H LYS B 32 29.440 -1.801 27.070 1.00 0.00 H new ATOM 0 HA LYS B 32 29.656 -4.356 27.854 1.00 0.00 H new ATOM 0 HB2 LYS B 32 31.067 -2.700 25.766 1.00 0.00 H new ATOM 0 HB3 LYS B 32 31.714 -4.302 26.058 1.00 0.00 H new ATOM 0 HG2 LYS B 32 29.504 -5.332 25.617 1.00 0.00 H new ATOM 0 HG3 LYS B 32 28.755 -3.753 25.480 1.00 0.00 H new ATOM 0 HD2 LYS B 32 31.113 -4.428 23.682 1.00 0.00 H new ATOM 0 HD3 LYS B 32 29.530 -5.066 23.282 1.00 0.00 H new ATOM 0 HE2 LYS B 32 30.136 -2.097 23.745 1.00 0.00 H new ATOM 0 HE3 LYS B 32 29.999 -2.847 22.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 27.848 -2.229 22.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 27.721 -3.683 23.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 27.909 -2.214 24.105 1.00 0.00 H new TER 894 LYS B 32