USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 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 -12:sc= -0.826! USER MOD Set 1.2: B 21 MET CE :methyl 161:sc= -0.0147 (180deg=-0.0918) USER MOD Set 2.1: A 20 THR OG1 : rot -10:sc= -0.943! USER MOD Set 2.2: A 21 MET CE :methyl 158:sc= -0.012 (180deg=-0.0955) USER MOD Single : A 12 MET CE :methyl -151:sc= -0.146 (180deg=-0.891) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -156:sc= -0.115 (180deg=-0.852) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= -0.295 (180deg=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0216 (180deg=-0.329) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.09 (180deg=-0.606) USER MOD Single : B 5 LYS NZ :NH3+ 150:sc= -0.178 (180deg=-0.949) USER MOD Single : B 12 MET CE :methyl -148:sc= -0.146 (180deg=-0.907) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -155:sc= -0.125 (180deg=-0.89) USER MOD Single : B 30 LYS NZ :NH3+ 151:sc= -0.251 (180deg=-1.45!) USER MOD Single : B 31 LYS NZ :NH3+ -165:sc= -0.0247 (180deg=-0.354) USER MOD Single : B 32 LYS NZ :NH3+ 159:sc= -0.053 (180deg=-0.586) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 6.463 2.588 -1.476 1.00 0.00 N ATOM 30 CA ALA A 7 6.882 3.691 -0.619 1.00 0.00 C ATOM 31 C ALA A 7 6.578 3.386 0.846 1.00 0.00 C ATOM 32 O ALA A 7 7.195 3.955 1.746 1.00 0.00 O ATOM 33 CB ALA A 7 6.162 4.974 -1.032 1.00 0.00 C ATOM 0 HA ALA A 7 7.958 3.822 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.480 5.793 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.406 5.211 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.085 4.834 -0.936 1.00 0.00 H new ATOM 39 N ILE A 8 5.621 2.493 1.079 1.00 0.00 N ATOM 40 CA ILE A 8 5.244 2.135 2.443 1.00 0.00 C ATOM 41 C ILE A 8 6.424 1.493 3.165 1.00 0.00 C ATOM 42 O ILE A 8 6.686 1.796 4.330 1.00 0.00 O ATOM 43 CB ILE A 8 4.067 1.153 2.425 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.823 1.860 1.882 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.780 0.658 3.851 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.748 0.823 1.539 1.00 0.00 C ATOM 0 H ILE A 8 5.097 2.008 0.350 1.00 0.00 H new ATOM 0 HA ILE A 8 4.950 3.043 2.969 1.00 0.00 H new ATOM 0 HB ILE A 8 4.319 0.304 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.441 2.563 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.080 2.439 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.943 -0.040 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.663 0.155 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.531 1.507 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.864 1.330 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.132 0.137 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.483 0.264 2.436 1.00 0.00 H new ATOM 58 N ILE A 9 7.122 0.597 2.478 1.00 0.00 N ATOM 59 CA ILE A 9 8.254 -0.085 3.083 1.00 0.00 C ATOM 60 C ILE A 9 9.314 0.942 3.507 1.00 0.00 C ATOM 61 O ILE A 9 10.013 0.760 4.499 1.00 0.00 O ATOM 62 CB ILE A 9 8.839 -1.123 2.092 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.465 -2.306 2.862 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.921 -0.479 1.217 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.381 -3.114 3.603 1.00 0.00 C ATOM 0 H ILE A 9 6.926 0.329 1.513 1.00 0.00 H new ATOM 0 HA ILE A 9 7.924 -0.620 3.974 1.00 0.00 H new ATOM 0 HB ILE A 9 8.025 -1.482 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.998 -2.956 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.199 -1.933 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.321 -1.222 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.488 0.346 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.724 -0.102 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.846 -3.942 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.866 -2.467 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.663 -3.506 2.883 1.00 0.00 H new ATOM 77 N GLY A 10 9.413 2.016 2.732 1.00 0.00 N ATOM 78 CA GLY A 10 10.381 3.075 3.013 1.00 0.00 C ATOM 79 C GLY A 10 10.190 3.644 4.420 1.00 0.00 C ATOM 80 O GLY A 10 11.036 3.462 5.292 1.00 0.00 O ATOM 0 H GLY A 10 8.837 2.178 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.393 2.682 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.274 3.873 2.278 1.00 0.00 H new ATOM 84 N LEU A 11 9.078 4.343 4.621 1.00 0.00 N ATOM 85 CA LEU A 11 8.790 4.956 5.920 1.00 0.00 C ATOM 86 C LEU A 11 8.689 3.899 7.014 1.00 0.00 C ATOM 87 O LEU A 11 8.943 4.179 8.180 1.00 0.00 O ATOM 88 CB LEU A 11 7.480 5.759 5.852 1.00 0.00 C ATOM 89 CG LEU A 11 7.743 7.147 5.244 1.00 0.00 C ATOM 90 CD1 LEU A 11 8.585 8.014 6.211 1.00 0.00 C ATOM 91 CD2 LEU A 11 8.484 6.979 3.910 1.00 0.00 C ATOM 0 H LEU A 11 8.364 4.501 3.910 1.00 0.00 H new ATOM 0 HA LEU A 11 9.613 5.628 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.746 5.223 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.057 5.865 6.851 1.00 0.00 H new ATOM 0 HG LEU A 11 6.791 7.650 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.761 8.992 5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.048 8.137 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.540 7.525 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.674 7.959 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.432 6.469 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.873 6.389 3.226 1.00 0.00 H new ATOM 103 N MET A 12 8.310 2.696 6.634 1.00 0.00 N ATOM 104 CA MET A 12 8.181 1.616 7.576 1.00 0.00 C ATOM 105 C MET A 12 9.541 1.268 8.192 1.00 0.00 C ATOM 106 O MET A 12 9.742 1.408 9.398 1.00 0.00 O ATOM 107 CB MET A 12 7.613 0.442 6.800 1.00 0.00 C ATOM 108 CG MET A 12 7.529 -0.805 7.654 1.00 0.00 C ATOM 109 SD MET A 12 6.398 -0.541 9.050 1.00 0.00 S ATOM 110 CE MET A 12 7.558 -0.827 10.413 1.00 0.00 C ATOM 0 H MET A 12 8.086 2.446 5.671 1.00 0.00 H new ATOM 0 HA MET A 12 7.527 1.887 8.405 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.620 0.697 6.429 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.238 0.245 5.929 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.183 -1.644 7.051 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.520 -1.067 8.025 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.017 -1.214 11.276 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.312 -1.551 10.103 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.044 0.111 10.680 1.00 0.00 H new ATOM 120 N VAL A 13 10.464 0.806 7.357 1.00 0.00 N ATOM 121 CA VAL A 13 11.795 0.418 7.824 1.00 0.00 C ATOM 122 C VAL A 13 12.634 1.620 8.250 1.00 0.00 C ATOM 123 O VAL A 13 13.587 1.470 9.014 1.00 0.00 O ATOM 124 CB VAL A 13 12.522 -0.362 6.733 1.00 0.00 C ATOM 125 CG1 VAL A 13 11.605 -1.485 6.237 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.895 0.574 5.574 1.00 0.00 C ATOM 0 H VAL A 13 10.318 0.690 6.354 1.00 0.00 H new ATOM 0 HA VAL A 13 11.660 -0.212 8.703 1.00 0.00 H new ATOM 0 HB VAL A 13 13.441 -0.790 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.113 -2.051 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.361 -2.149 7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.688 -1.055 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.413 0.007 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.990 1.014 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.547 1.366 5.942 1.00 0.00 H new ATOM 136 N GLY A 14 12.289 2.811 7.772 1.00 0.00 N ATOM 137 CA GLY A 14 13.036 4.013 8.140 1.00 0.00 C ATOM 138 C GLY A 14 12.528 4.593 9.461 1.00 0.00 C ATOM 139 O GLY A 14 13.312 5.062 10.286 1.00 0.00 O ATOM 0 H GLY A 14 11.507 2.971 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.096 3.774 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.942 4.759 7.351 1.00 0.00 H new ATOM 143 N GLY A 15 11.208 4.564 9.652 1.00 0.00 N ATOM 144 CA GLY A 15 10.627 5.102 10.871 1.00 0.00 C ATOM 145 C GLY A 15 11.276 4.443 12.072 1.00 0.00 C ATOM 146 O GLY A 15 11.758 5.116 12.983 1.00 0.00 O ATOM 0 H GLY A 15 10.536 4.180 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.774 6.181 10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.551 4.926 10.883 1.00 0.00 H new ATOM 150 N VAL A 16 11.265 3.120 12.072 1.00 0.00 N ATOM 151 CA VAL A 16 11.836 2.370 13.172 1.00 0.00 C ATOM 152 C VAL A 16 13.193 2.935 13.568 1.00 0.00 C ATOM 153 O VAL A 16 13.453 3.160 14.748 1.00 0.00 O ATOM 154 CB VAL A 16 11.956 0.887 12.794 1.00 0.00 C ATOM 155 CG1 VAL A 16 10.571 0.227 12.845 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.515 0.758 11.378 1.00 0.00 C ATOM 0 H VAL A 16 10.869 2.548 11.326 1.00 0.00 H new ATOM 0 HA VAL A 16 11.172 2.459 14.032 1.00 0.00 H new ATOM 0 HB VAL A 16 12.626 0.395 13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.659 -0.826 12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.165 0.311 13.853 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.904 0.726 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.598 -0.296 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.846 1.256 10.676 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.500 1.222 11.332 1.00 0.00 H new ATOM 166 N VAL A 17 14.056 3.160 12.593 1.00 0.00 N ATOM 167 CA VAL A 17 15.382 3.692 12.880 1.00 0.00 C ATOM 168 C VAL A 17 15.282 5.041 13.592 1.00 0.00 C ATOM 169 O VAL A 17 15.993 5.296 14.562 1.00 0.00 O ATOM 170 CB VAL A 17 16.159 3.875 11.582 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.531 4.472 11.898 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.334 2.522 10.886 1.00 0.00 C ATOM 0 H VAL A 17 13.869 2.986 11.606 1.00 0.00 H new ATOM 0 HA VAL A 17 15.899 2.984 13.528 1.00 0.00 H new ATOM 0 HB VAL A 17 15.610 4.546 10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.092 4.605 10.973 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.404 5.438 12.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.077 3.799 12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.890 2.659 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.882 1.844 11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.355 2.098 10.663 1.00 0.00 H new ATOM 182 N ILE A 18 14.394 5.896 13.103 1.00 0.00 N ATOM 183 CA ILE A 18 14.225 7.212 13.716 1.00 0.00 C ATOM 184 C ILE A 18 13.771 7.047 15.167 1.00 0.00 C ATOM 185 O ILE A 18 14.312 7.679 16.075 1.00 0.00 O ATOM 186 CB ILE A 18 13.202 8.042 12.932 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.775 8.370 11.549 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.915 9.346 13.684 1.00 0.00 C ATOM 189 CD1 ILE A 18 12.680 8.972 10.668 1.00 0.00 C ATOM 0 H ILE A 18 13.790 5.711 12.302 1.00 0.00 H new ATOM 0 HA ILE A 18 15.180 7.737 13.696 1.00 0.00 H new ATOM 0 HB ILE A 18 12.277 7.475 12.824 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.604 9.071 11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.173 7.467 11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.188 9.935 13.126 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.515 9.116 14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.838 9.915 13.790 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.090 9.204 9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.865 8.256 10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 18 12.303 9.885 11.129 1.00 0.00 H new ATOM 201 N ALA A 19 12.766 6.205 15.366 1.00 0.00 N ATOM 202 CA ALA A 19 12.223 5.966 16.704 1.00 0.00 C ATOM 203 C ALA A 19 13.302 5.461 17.667 1.00 0.00 C ATOM 204 O ALA A 19 13.276 5.773 18.856 1.00 0.00 O ATOM 205 CB ALA A 19 11.087 4.945 16.624 1.00 0.00 C ATOM 0 H ALA A 19 12.309 5.676 14.623 1.00 0.00 H new ATOM 0 HA ALA A 19 11.845 6.914 17.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.685 4.769 17.622 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.298 5.329 15.977 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.467 4.009 16.216 1.00 0.00 H new ATOM 211 N THR A 20 14.250 4.689 17.147 1.00 0.00 N ATOM 212 CA THR A 20 15.337 4.147 17.966 1.00 0.00 C ATOM 213 C THR A 20 16.350 5.225 18.297 1.00 0.00 C ATOM 214 O THR A 20 17.126 5.088 19.243 1.00 0.00 O ATOM 215 CB THR A 20 16.063 3.022 17.211 1.00 0.00 C ATOM 216 OG1 THR A 20 16.782 3.588 16.128 1.00 0.00 O ATOM 217 CG2 THR A 20 15.076 1.983 16.650 1.00 0.00 C ATOM 0 H THR A 20 14.291 4.423 16.163 1.00 0.00 H new ATOM 0 HA THR A 20 14.897 3.761 18.885 1.00 0.00 H new ATOM 0 HB THR A 20 16.730 2.520 17.912 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.523 4.527 16.019 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.628 1.204 16.123 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.512 1.537 17.469 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.388 2.471 15.959 1.00 0.00 H new ATOM 225 N MET A 21 16.339 6.306 17.531 1.00 0.00 N ATOM 226 CA MET A 21 17.260 7.404 17.777 1.00 0.00 C ATOM 227 C MET A 21 16.702 8.329 18.854 1.00 0.00 C ATOM 228 O MET A 21 17.461 8.945 19.602 1.00 0.00 O ATOM 229 CB MET A 21 17.531 8.172 16.477 1.00 0.00 C ATOM 230 CG MET A 21 18.658 7.478 15.684 1.00 0.00 C ATOM 231 SD MET A 21 18.394 5.680 15.678 1.00 0.00 S ATOM 232 CE MET A 21 19.872 5.154 16.595 1.00 0.00 C ATOM 0 H MET A 21 15.709 6.445 16.741 1.00 0.00 H new ATOM 0 HA MET A 21 18.207 6.999 18.134 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.624 8.216 15.874 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.813 9.200 16.704 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.680 7.854 14.661 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.625 7.711 16.130 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.701 4.167 17.025 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.725 5.112 15.918 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.078 5.867 17.394 1.00 0.00 H new ATOM 242 N ILE A 22 15.376 8.435 18.936 1.00 0.00 N ATOM 243 CA ILE A 22 14.771 9.296 19.941 1.00 0.00 C ATOM 244 C ILE A 22 15.114 8.798 21.344 1.00 0.00 C ATOM 245 O ILE A 22 15.516 9.580 22.201 1.00 0.00 O ATOM 246 CB ILE A 22 13.248 9.315 19.765 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.891 9.993 18.434 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.607 10.094 20.919 1.00 0.00 C ATOM 249 CD1 ILE A 22 11.401 9.789 18.128 1.00 0.00 C ATOM 0 H ILE A 22 14.716 7.946 18.331 1.00 0.00 H new ATOM 0 HA ILE A 22 15.164 10.305 19.815 1.00 0.00 H new ATOM 0 HB ILE A 22 12.874 8.291 19.764 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.118 11.058 18.486 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.497 9.576 17.629 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.524 10.107 20.792 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.856 9.613 21.865 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.984 11.117 20.921 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.154 10.272 17.183 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.187 8.723 18.057 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.802 10.227 18.927 1.00 0.00 H new ATOM 261 N VAL A 23 14.939 7.497 21.581 1.00 0.00 N ATOM 262 CA VAL A 23 15.221 6.928 22.902 1.00 0.00 C ATOM 263 C VAL A 23 16.697 7.061 23.241 1.00 0.00 C ATOM 264 O VAL A 23 17.068 7.252 24.398 1.00 0.00 O ATOM 265 CB VAL A 23 14.817 5.446 22.954 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.289 5.310 22.830 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.505 4.676 21.820 1.00 0.00 C ATOM 0 H VAL A 23 14.609 6.825 20.888 1.00 0.00 H new ATOM 0 HA VAL A 23 14.635 7.483 23.634 1.00 0.00 H new ATOM 0 HB VAL A 23 15.132 5.027 23.910 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.013 4.256 22.868 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.809 5.841 23.652 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.961 5.737 21.882 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.214 3.627 21.864 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.205 5.096 20.860 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.587 4.757 21.929 1.00 0.00 H new ATOM 277 N ILE A 24 17.537 6.991 22.229 1.00 0.00 N ATOM 278 CA ILE A 24 18.971 7.138 22.446 1.00 0.00 C ATOM 279 C ILE A 24 19.212 8.386 23.310 1.00 0.00 C ATOM 280 O ILE A 24 20.249 8.519 23.960 1.00 0.00 O ATOM 281 CB ILE A 24 19.692 7.214 21.066 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.534 5.941 20.826 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.612 8.440 20.961 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.662 4.669 20.924 1.00 0.00 C ATOM 0 H ILE A 24 17.262 6.836 21.259 1.00 0.00 H new ATOM 0 HA ILE A 24 19.382 6.280 22.979 1.00 0.00 H new ATOM 0 HB ILE A 24 18.912 7.299 20.309 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.001 5.990 19.842 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.339 5.891 21.559 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.093 8.451 19.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 20.023 9.349 21.086 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.374 8.391 21.739 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.281 3.789 20.751 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.216 4.609 21.917 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.872 4.710 20.174 1.00 0.00 H new ATOM 296 N THR A 25 18.227 9.287 23.316 1.00 0.00 N ATOM 297 CA THR A 25 18.323 10.510 24.115 1.00 0.00 C ATOM 298 C THR A 25 18.083 10.207 25.593 1.00 0.00 C ATOM 299 O THR A 25 18.764 10.747 26.462 1.00 0.00 O ATOM 300 CB THR A 25 17.340 11.581 23.601 1.00 0.00 C ATOM 301 OG1 THR A 25 17.897 12.867 23.845 1.00 0.00 O ATOM 302 CG2 THR A 25 15.979 11.482 24.302 1.00 0.00 C ATOM 0 H THR A 25 17.363 9.195 22.783 1.00 0.00 H new ATOM 0 HA THR A 25 19.332 10.908 24.011 1.00 0.00 H new ATOM 0 HB THR A 25 17.183 11.420 22.534 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.281 13.557 23.521 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.313 12.252 23.914 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.545 10.500 24.116 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.111 11.623 25.375 1.00 0.00 H new ATOM 310 N LEU A 26 17.106 9.347 25.877 1.00 0.00 N ATOM 311 CA LEU A 26 16.766 8.972 27.243 1.00 0.00 C ATOM 312 C LEU A 26 17.990 8.402 27.959 1.00 0.00 C ATOM 313 O LEU A 26 18.164 8.570 29.163 1.00 0.00 O ATOM 314 CB LEU A 26 15.606 7.957 27.120 1.00 0.00 C ATOM 315 CG LEU A 26 15.320 7.171 28.407 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.428 6.132 28.690 1.00 0.00 C ATOM 317 CD2 LEU A 26 15.134 8.136 29.587 1.00 0.00 C ATOM 0 H LEU A 26 16.531 8.893 25.167 1.00 0.00 H new ATOM 0 HA LEU A 26 16.453 9.823 27.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.702 8.489 26.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.837 7.253 26.321 1.00 0.00 H new ATOM 0 HG LEU A 26 14.392 6.616 28.273 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.195 5.593 29.608 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.487 5.428 27.860 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.385 6.642 28.802 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.932 7.567 30.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.042 8.724 29.723 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.296 8.803 29.383 1.00 0.00 H new ATOM 329 N VAL A 27 18.862 7.780 27.195 1.00 0.00 N ATOM 330 CA VAL A 27 20.097 7.226 27.747 1.00 0.00 C ATOM 331 C VAL A 27 20.941 8.356 28.337 1.00 0.00 C ATOM 332 O VAL A 27 21.574 8.208 29.384 1.00 0.00 O ATOM 333 CB VAL A 27 20.879 6.509 26.646 1.00 0.00 C ATOM 334 CG1 VAL A 27 22.101 5.802 27.244 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.973 5.482 25.970 1.00 0.00 C ATOM 0 H VAL A 27 18.747 7.641 26.191 1.00 0.00 H new ATOM 0 HA VAL A 27 19.856 6.510 28.532 1.00 0.00 H new ATOM 0 HB VAL A 27 21.217 7.240 25.912 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.651 5.294 26.452 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.749 6.537 27.722 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.773 5.072 27.984 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.528 4.969 25.184 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.633 4.755 26.708 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.111 5.988 25.535 1.00 0.00 H new ATOM 345 N MET A 28 20.926 9.483 27.636 1.00 0.00 N ATOM 346 CA MET A 28 21.669 10.668 28.056 1.00 0.00 C ATOM 347 C MET A 28 21.000 11.329 29.262 1.00 0.00 C ATOM 348 O MET A 28 21.664 11.978 30.067 1.00 0.00 O ATOM 349 CB MET A 28 21.762 11.678 26.907 1.00 0.00 C ATOM 350 CG MET A 28 22.591 11.092 25.757 1.00 0.00 C ATOM 351 SD MET A 28 24.299 10.799 26.292 1.00 0.00 S ATOM 352 CE MET A 28 24.813 12.528 26.449 1.00 0.00 C ATOM 0 H MET A 28 20.404 9.603 26.768 1.00 0.00 H new ATOM 0 HA MET A 28 22.673 10.351 28.338 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.763 11.931 26.553 1.00 0.00 H new ATOM 0 HB3 MET A 28 22.219 12.602 27.261 1.00 0.00 H new ATOM 0 HG2 MET A 28 22.144 10.157 25.418 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.582 11.776 24.908 1.00 0.00 H new ATOM 0 HE1 MET A 28 25.896 12.596 26.350 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.339 13.121 25.667 1.00 0.00 H new ATOM 0 HE3 MET A 28 24.513 12.909 27.425 1.00 0.00 H new ATOM 362 N LEU A 29 19.679 11.168 29.374 1.00 0.00 N ATOM 363 CA LEU A 29 18.935 11.769 30.481 1.00 0.00 C ATOM 364 C LEU A 29 19.098 10.948 31.761 1.00 0.00 C ATOM 365 O LEU A 29 18.647 11.362 32.830 1.00 0.00 O ATOM 366 CB LEU A 29 17.443 11.875 30.130 1.00 0.00 C ATOM 367 CG LEU A 29 17.251 12.712 28.856 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.758 12.762 28.506 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.776 14.144 29.075 1.00 0.00 C ATOM 0 H LEU A 29 19.109 10.633 28.719 1.00 0.00 H new ATOM 0 HA LEU A 29 19.339 12.767 30.649 1.00 0.00 H new ATOM 0 HB2 LEU A 29 17.025 10.879 29.985 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.900 12.331 30.958 1.00 0.00 H new ATOM 0 HG LEU A 29 17.809 12.254 28.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.616 13.355 27.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.390 11.750 28.338 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.206 13.217 29.329 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.634 14.727 28.165 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.229 14.611 29.894 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.837 14.109 29.321 1.00 0.00 H new ATOM 381 N LYS A 30 19.743 9.790 31.654 1.00 0.00 N ATOM 382 CA LYS A 30 19.953 8.938 32.823 1.00 0.00 C ATOM 383 C LYS A 30 20.803 9.653 33.868 1.00 0.00 C ATOM 384 O LYS A 30 20.559 9.529 35.068 1.00 0.00 O ATOM 385 CB LYS A 30 20.640 7.630 32.423 1.00 0.00 C ATOM 386 CG LYS A 30 19.652 6.748 31.653 1.00 0.00 C ATOM 387 CD LYS A 30 20.356 5.473 31.162 1.00 0.00 C ATOM 388 CE LYS A 30 20.420 4.433 32.285 1.00 0.00 C ATOM 389 NZ LYS A 30 19.043 4.143 32.778 1.00 0.00 N ATOM 0 H LYS A 30 20.125 9.422 30.783 1.00 0.00 H new ATOM 0 HA LYS A 30 18.975 8.714 33.249 1.00 0.00 H new ATOM 0 HB2 LYS A 30 21.514 7.840 31.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.995 7.107 33.311 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.811 6.485 32.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.246 7.298 30.804 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.821 5.061 30.306 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.363 5.714 30.823 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.887 3.518 31.921 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.039 4.803 33.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.983 3.148 33.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.827 4.760 33.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.357 4.318 32.016 1.00 0.00 H new ATOM 403 N LYS A 31 21.809 10.395 33.409 1.00 0.00 N ATOM 404 CA LYS A 31 22.698 11.122 34.318 1.00 0.00 C ATOM 405 C LYS A 31 22.208 12.556 34.509 1.00 0.00 C ATOM 406 O LYS A 31 22.958 13.424 34.955 1.00 0.00 O ATOM 407 CB LYS A 31 24.126 11.131 33.744 1.00 0.00 C ATOM 408 CG LYS A 31 25.156 11.368 34.867 1.00 0.00 C ATOM 409 CD LYS A 31 25.545 10.031 35.518 1.00 0.00 C ATOM 410 CE LYS A 31 26.467 10.286 36.711 1.00 0.00 C ATOM 411 NZ LYS A 31 27.733 10.912 36.236 1.00 0.00 N ATOM 0 H LYS A 31 22.030 10.509 32.420 1.00 0.00 H new ATOM 0 HA LYS A 31 22.698 10.622 35.287 1.00 0.00 H new ATOM 0 HB2 LYS A 31 24.331 10.182 33.248 1.00 0.00 H new ATOM 0 HB3 LYS A 31 24.216 11.912 32.989 1.00 0.00 H new ATOM 0 HG2 LYS A 31 26.043 11.855 34.461 1.00 0.00 H new ATOM 0 HG3 LYS A 31 24.739 12.039 35.618 1.00 0.00 H new ATOM 0 HD2 LYS A 31 24.650 9.501 35.845 1.00 0.00 H new ATOM 0 HD3 LYS A 31 26.045 9.393 34.790 1.00 0.00 H new ATOM 0 HE2 LYS A 31 25.974 10.938 37.432 1.00 0.00 H new ATOM 0 HE3 LYS A 31 26.683 9.349 37.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 28.457 10.839 36.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 28.064 10.420 35.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 27.563 11.914 36.015 1.00 0.00 H new ATOM 425 N LYS A 32 20.944 12.794 34.171 1.00 0.00 N ATOM 426 CA LYS A 32 20.363 14.125 34.309 1.00 0.00 C ATOM 427 C LYS A 32 21.313 15.186 33.762 1.00 0.00 C ATOM 428 O LYS A 32 21.433 15.278 32.552 1.00 0.00 O ATOM 429 CB LYS A 32 20.062 14.412 35.783 1.00 0.00 C ATOM 430 CG LYS A 32 19.349 15.761 35.910 1.00 0.00 C ATOM 431 CD LYS A 32 18.999 16.015 37.377 1.00 0.00 C ATOM 432 CE LYS A 32 18.274 17.357 37.509 1.00 0.00 C ATOM 433 NZ LYS A 32 16.995 17.311 36.746 1.00 0.00 N ATOM 0 H LYS A 32 20.307 12.088 33.802 1.00 0.00 H new ATOM 0 HA LYS A 32 19.436 14.158 33.736 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.439 13.620 36.198 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.988 14.423 36.358 1.00 0.00 H new ATOM 0 HG2 LYS A 32 19.989 16.560 35.534 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.444 15.765 35.303 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.368 15.211 37.755 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.906 16.019 37.982 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.075 17.573 38.559 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.905 18.162 37.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.357 18.055 37.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.188 17.464 35.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.547 16.382 36.876 1.00 0.00 H new ATOM 448 N LYS B 5 -5.865 -1.454 3.972 1.00 0.00 N ATOM 449 CA LYS B 5 -4.665 -0.569 3.957 1.00 0.00 C ATOM 450 C LYS B 5 -4.468 0.020 5.349 1.00 0.00 C ATOM 451 O LYS B 5 -3.381 0.484 5.691 1.00 0.00 O ATOM 452 CB LYS B 5 -4.875 0.556 2.940 1.00 0.00 C ATOM 453 CG LYS B 5 -5.274 -0.035 1.583 1.00 0.00 C ATOM 454 CD LYS B 5 -4.126 -0.875 1.011 1.00 0.00 C ATOM 455 CE LYS B 5 -4.356 -1.107 -0.483 1.00 0.00 C ATOM 456 NZ LYS B 5 -4.283 0.193 -1.206 1.00 0.00 N ATOM 0 HA LYS B 5 -3.782 -1.142 3.676 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.650 1.236 3.292 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.961 1.140 2.837 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -6.165 -0.653 1.695 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.528 0.767 0.890 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.175 -0.365 1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -4.066 -1.830 1.533 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.607 -1.795 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -5.329 -1.570 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.934 0.033 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.230 0.622 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.634 0.833 -0.705 1.00 0.00 H new ATOM 469 N GLY B 6 -5.530 -0.007 6.147 1.00 0.00 N ATOM 470 CA GLY B 6 -5.469 0.522 7.504 1.00 0.00 C ATOM 471 C GLY B 6 -4.490 -0.278 8.351 1.00 0.00 C ATOM 472 O GLY B 6 -3.830 0.265 9.236 1.00 0.00 O ATOM 0 H GLY B 6 -6.438 -0.387 5.880 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -5.164 1.568 7.478 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -6.460 0.490 7.957 1.00 0.00 H new ATOM 476 N ALA B 7 -4.402 -1.572 8.074 1.00 0.00 N ATOM 477 CA ALA B 7 -3.502 -2.447 8.817 1.00 0.00 C ATOM 478 C ALA B 7 -2.063 -1.947 8.729 1.00 0.00 C ATOM 479 O ALA B 7 -1.233 -2.268 9.580 1.00 0.00 O ATOM 480 CB ALA B 7 -3.583 -3.868 8.261 1.00 0.00 C ATOM 0 H ALA B 7 -4.940 -2.039 7.344 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.809 -2.444 9.863 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.909 -4.516 8.820 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.604 -4.238 8.356 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -3.294 -3.864 7.210 1.00 0.00 H new ATOM 486 N ILE B 8 -1.768 -1.170 7.691 1.00 0.00 N ATOM 487 CA ILE B 8 -0.418 -0.644 7.505 1.00 0.00 C ATOM 488 C ILE B 8 -0.040 0.266 8.669 1.00 0.00 C ATOM 489 O ILE B 8 1.079 0.201 9.178 1.00 0.00 O ATOM 490 CB ILE B 8 -0.335 0.149 6.194 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.514 -0.805 5.011 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.039 0.830 6.087 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.778 0.001 3.735 1.00 0.00 C ATOM 0 H ILE B 8 -2.437 -0.892 6.973 1.00 0.00 H new ATOM 0 HA ILE B 8 0.276 -1.484 7.465 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.119 0.906 6.181 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.379 -1.418 4.887 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.344 -1.485 5.202 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.095 1.392 5.155 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.175 1.509 6.929 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.823 0.072 6.101 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.905 -0.681 2.894 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.683 0.595 3.861 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.066 0.663 3.541 1.00 0.00 H new ATOM 505 N ILE B 9 -0.970 1.123 9.075 1.00 0.00 N ATOM 506 CA ILE B 9 -0.703 2.046 10.166 1.00 0.00 C ATOM 507 C ILE B 9 -0.362 1.261 11.440 1.00 0.00 C ATOM 508 O ILE B 9 0.435 1.701 12.263 1.00 0.00 O ATOM 509 CB ILE B 9 -1.923 2.975 10.386 1.00 0.00 C ATOM 510 CG1 ILE B 9 -1.466 4.345 10.928 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.900 2.349 11.388 1.00 0.00 C ATOM 512 CD1 ILE B 9 -0.639 5.107 9.873 1.00 0.00 C ATOM 0 H ILE B 9 -1.903 1.196 8.670 1.00 0.00 H new ATOM 0 HA ILE B 9 0.153 2.671 9.913 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.420 3.108 9.425 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.336 4.937 11.211 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.870 4.203 11.830 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.751 3.015 11.531 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -3.250 1.390 11.005 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.395 2.196 12.342 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.329 6.070 10.280 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.243 4.523 9.611 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.246 5.268 8.982 1.00 0.00 H new ATOM 524 N GLY B 10 -0.986 0.096 11.580 1.00 0.00 N ATOM 525 CA GLY B 10 -0.762 -0.757 12.747 1.00 0.00 C ATOM 526 C GLY B 10 0.719 -1.104 12.904 1.00 0.00 C ATOM 527 O GLY B 10 1.370 -0.664 13.849 1.00 0.00 O ATOM 0 H GLY B 10 -1.650 -0.280 10.903 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -1.116 -0.250 13.644 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -1.344 -1.673 12.648 1.00 0.00 H new ATOM 531 N LEU B 11 1.233 -1.907 11.978 1.00 0.00 N ATOM 532 CA LEU B 11 2.634 -2.329 12.030 1.00 0.00 C ATOM 533 C LEU B 11 3.571 -1.128 11.948 1.00 0.00 C ATOM 534 O LEU B 11 4.690 -1.171 12.447 1.00 0.00 O ATOM 535 CB LEU B 11 2.941 -3.305 10.883 1.00 0.00 C ATOM 536 CG LEU B 11 2.490 -4.725 11.263 1.00 0.00 C ATOM 537 CD1 LEU B 11 3.378 -5.294 12.395 1.00 0.00 C ATOM 538 CD2 LEU B 11 1.024 -4.682 11.718 1.00 0.00 C ATOM 0 H LEU B 11 0.707 -2.278 11.187 1.00 0.00 H new ATOM 0 HA LEU B 11 2.797 -2.832 12.983 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.431 -2.984 9.975 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.009 -3.300 10.667 1.00 0.00 H new ATOM 0 HG LEU B 11 2.587 -5.375 10.393 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.043 -6.299 12.650 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.415 -5.331 12.060 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.303 -4.653 13.273 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.698 -5.686 11.989 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.930 -4.024 12.582 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.402 -4.305 10.906 1.00 0.00 H new ATOM 550 N MET B 12 3.113 -0.069 11.312 1.00 0.00 N ATOM 551 CA MET B 12 3.905 1.123 11.172 1.00 0.00 C ATOM 552 C MET B 12 4.182 1.754 12.541 1.00 0.00 C ATOM 553 O MET B 12 5.331 1.847 12.972 1.00 0.00 O ATOM 554 CB MET B 12 3.104 2.062 10.287 1.00 0.00 C ATOM 555 CG MET B 12 3.778 3.411 10.147 1.00 0.00 C ATOM 556 SD MET B 12 5.394 3.230 9.340 1.00 0.00 S ATOM 557 CE MET B 12 6.446 3.897 10.659 1.00 0.00 C ATOM 0 H MET B 12 2.189 -0.016 10.883 1.00 0.00 H new ATOM 0 HA MET B 12 4.877 0.905 10.730 1.00 0.00 H new ATOM 0 HB2 MET B 12 2.978 1.614 9.301 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.107 2.195 10.706 1.00 0.00 H new ATOM 0 HG2 MET B 12 3.146 4.082 9.564 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.904 3.866 11.130 1.00 0.00 H new ATOM 0 HE1 MET B 12 7.312 4.391 10.219 1.00 0.00 H new ATOM 0 HE2 MET B 12 5.878 4.617 11.248 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.781 3.084 11.304 1.00 0.00 H new ATOM 567 N VAL B 13 3.124 2.195 13.212 1.00 0.00 N ATOM 568 CA VAL B 13 3.257 2.835 14.520 1.00 0.00 C ATOM 569 C VAL B 13 3.668 1.850 15.611 1.00 0.00 C ATOM 570 O VAL B 13 4.196 2.256 16.645 1.00 0.00 O ATOM 571 CB VAL B 13 1.946 3.516 14.902 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.495 4.402 13.737 1.00 0.00 C ATOM 573 CG2 VAL B 13 0.876 2.459 15.214 1.00 0.00 C ATOM 0 H VAL B 13 2.164 2.122 12.874 1.00 0.00 H new ATOM 0 HA VAL B 13 4.051 3.577 14.438 1.00 0.00 H new ATOM 0 HB VAL B 13 2.091 4.128 15.792 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.558 4.895 13.996 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.258 5.154 13.536 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.348 3.788 12.849 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.056 2.954 15.486 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.713 1.836 14.335 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.211 1.836 16.043 1.00 0.00 H new ATOM 583 N GLY B 14 3.438 0.559 15.391 1.00 0.00 N ATOM 584 CA GLY B 14 3.811 -0.450 16.382 1.00 0.00 C ATOM 585 C GLY B 14 5.273 -0.866 16.218 1.00 0.00 C ATOM 586 O GLY B 14 5.982 -1.078 17.203 1.00 0.00 O ATOM 0 H GLY B 14 3.001 0.188 14.547 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.652 -0.055 17.385 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.167 -1.323 16.277 1.00 0.00 H new ATOM 590 N GLY B 15 5.718 -0.990 14.967 1.00 0.00 N ATOM 591 CA GLY B 15 7.092 -1.391 14.709 1.00 0.00 C ATOM 592 C GLY B 15 8.036 -0.459 15.439 1.00 0.00 C ATOM 593 O GLY B 15 8.917 -0.897 16.179 1.00 0.00 O ATOM 0 H GLY B 15 5.155 -0.821 14.133 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.250 -2.418 15.039 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.295 -1.365 13.638 1.00 0.00 H new ATOM 597 N VAL B 16 7.856 0.832 15.207 1.00 0.00 N ATOM 598 CA VAL B 16 8.706 1.827 15.829 1.00 0.00 C ATOM 599 C VAL B 16 8.896 1.529 17.310 1.00 0.00 C ATOM 600 O VAL B 16 10.021 1.543 17.806 1.00 0.00 O ATOM 601 CB VAL B 16 8.111 3.229 15.629 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.346 3.689 14.184 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.608 3.195 15.901 1.00 0.00 C ATOM 0 H VAL B 16 7.133 1.211 14.596 1.00 0.00 H new ATOM 0 HA VAL B 16 9.686 1.792 15.352 1.00 0.00 H new ATOM 0 HB VAL B 16 8.594 3.921 16.319 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.923 4.684 14.045 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.417 3.719 13.981 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.866 2.992 13.498 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.190 4.191 15.758 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.129 2.498 15.213 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.431 2.871 16.927 1.00 0.00 H new ATOM 613 N VAL B 17 7.809 1.265 18.013 1.00 0.00 N ATOM 614 CA VAL B 17 7.896 0.978 19.439 1.00 0.00 C ATOM 615 C VAL B 17 8.790 -0.235 19.694 1.00 0.00 C ATOM 616 O VAL B 17 9.625 -0.224 20.596 1.00 0.00 O ATOM 617 CB VAL B 17 6.505 0.690 19.993 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.619 0.350 21.481 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.610 1.920 19.813 1.00 0.00 C ATOM 0 H VAL B 17 6.865 1.243 17.628 1.00 0.00 H new ATOM 0 HA VAL B 17 8.325 1.848 19.936 1.00 0.00 H new ATOM 0 HB VAL B 17 6.065 -0.151 19.456 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.628 0.143 21.884 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.252 -0.528 21.606 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.058 1.193 22.014 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.617 1.709 20.210 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.042 2.766 20.347 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.533 2.162 18.753 1.00 0.00 H new ATOM 629 N ILE B 18 8.612 -1.273 18.888 1.00 0.00 N ATOM 630 CA ILE B 18 9.420 -2.479 19.053 1.00 0.00 C ATOM 631 C ILE B 18 10.896 -2.138 18.840 1.00 0.00 C ATOM 632 O ILE B 18 11.756 -2.529 19.631 1.00 0.00 O ATOM 633 CB ILE B 18 8.978 -3.561 18.062 1.00 0.00 C ATOM 634 CG1 ILE B 18 7.568 -4.033 18.428 1.00 0.00 C ATOM 635 CG2 ILE B 18 9.945 -4.747 18.134 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.015 -4.920 17.313 1.00 0.00 C ATOM 0 H ILE B 18 7.932 -1.309 18.129 1.00 0.00 H new ATOM 0 HA ILE B 18 9.281 -2.864 20.063 1.00 0.00 H new ATOM 0 HB ILE B 18 8.979 -3.153 17.051 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.592 -4.586 19.367 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.915 -3.174 18.580 1.00 0.00 H new ATOM 0 HG21 ILE B 18 9.630 -5.516 17.429 1.00 0.00 H new ATOM 0 HG22 ILE B 18 10.951 -4.412 17.881 1.00 0.00 H new ATOM 0 HG23 ILE B 18 9.943 -5.157 19.144 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.012 -5.254 17.577 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.976 -4.353 16.383 1.00 0.00 H new ATOM 0 HD13 ILE B 18 7.663 -5.787 17.182 1.00 0.00 H new ATOM 648 N ALA B 19 11.175 -1.422 17.759 1.00 0.00 N ATOM 649 CA ALA B 19 12.549 -1.042 17.428 1.00 0.00 C ATOM 650 C ALA B 19 13.198 -0.239 18.562 1.00 0.00 C ATOM 651 O ALA B 19 14.401 -0.349 18.798 1.00 0.00 O ATOM 652 CB ALA B 19 12.559 -0.216 16.143 1.00 0.00 C ATOM 0 H ALA B 19 10.474 -1.092 17.096 1.00 0.00 H new ATOM 0 HA ALA B 19 13.127 -1.955 17.287 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.583 0.065 15.899 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.141 -0.806 15.328 1.00 0.00 H new ATOM 0 HB3 ALA B 19 11.960 0.683 16.284 1.00 0.00 H new ATOM 658 N THR B 20 12.398 0.559 19.258 1.00 0.00 N ATOM 659 CA THR B 20 12.901 1.375 20.368 1.00 0.00 C ATOM 660 C THR B 20 13.168 0.517 21.590 1.00 0.00 C ATOM 661 O THR B 20 13.912 0.918 22.484 1.00 0.00 O ATOM 662 CB THR B 20 11.869 2.448 20.750 1.00 0.00 C ATOM 663 OG1 THR B 20 10.751 1.814 21.352 1.00 0.00 O ATOM 664 CG2 THR B 20 11.379 3.233 19.521 1.00 0.00 C ATOM 0 H THR B 20 11.399 0.662 19.078 1.00 0.00 H new ATOM 0 HA THR B 20 13.828 1.844 20.039 1.00 0.00 H new ATOM 0 HB THR B 20 12.348 3.147 21.436 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.809 0.846 21.212 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.651 3.981 19.834 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.225 3.727 19.044 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.913 2.547 18.813 1.00 0.00 H new ATOM 672 N MET B 21 12.574 -0.665 21.625 1.00 0.00 N ATOM 673 CA MET B 21 12.781 -1.571 22.745 1.00 0.00 C ATOM 674 C MET B 21 14.064 -2.370 22.548 1.00 0.00 C ATOM 675 O MET B 21 14.722 -2.742 23.519 1.00 0.00 O ATOM 676 CB MET B 21 11.570 -2.498 22.908 1.00 0.00 C ATOM 677 CG MET B 21 10.480 -1.797 23.746 1.00 0.00 C ATOM 678 SD MET B 21 10.282 -0.080 23.188 1.00 0.00 S ATOM 679 CE MET B 21 10.804 0.793 24.694 1.00 0.00 C ATOM 0 H MET B 21 11.950 -1.018 20.899 1.00 0.00 H new ATOM 0 HA MET B 21 12.885 -0.987 23.659 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.172 -2.766 21.929 1.00 0.00 H new ATOM 0 HB3 MET B 21 11.874 -3.425 23.394 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.535 -2.331 23.650 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.751 -1.817 24.802 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.069 1.821 24.445 1.00 0.00 H new ATOM 0 HE2 MET B 21 9.987 0.794 25.416 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.669 0.289 25.125 1.00 0.00 H new ATOM 689 N ILE B 22 14.422 -2.644 21.294 1.00 0.00 N ATOM 690 CA ILE B 22 15.637 -3.400 21.029 1.00 0.00 C ATOM 691 C ILE B 22 16.862 -2.633 21.525 1.00 0.00 C ATOM 692 O ILE B 22 17.719 -3.198 22.197 1.00 0.00 O ATOM 693 CB ILE B 22 15.774 -3.658 19.523 1.00 0.00 C ATOM 694 CG1 ILE B 22 14.647 -4.591 19.057 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.127 -4.316 19.236 1.00 0.00 C ATOM 696 CD1 ILE B 22 14.620 -4.650 17.524 1.00 0.00 C ATOM 0 H ILE B 22 13.899 -2.360 20.465 1.00 0.00 H new ATOM 0 HA ILE B 22 15.574 -4.351 21.558 1.00 0.00 H new ATOM 0 HB ILE B 22 15.708 -2.711 18.988 1.00 0.00 H new ATOM 0 HG12 ILE B 22 14.798 -5.590 19.466 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.688 -4.234 19.433 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.223 -4.499 18.166 1.00 0.00 H new ATOM 0 HG22 ILE B 22 17.930 -3.656 19.565 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.193 -5.262 19.773 1.00 0.00 H new ATOM 0 HD11 ILE B 22 13.818 -5.313 17.199 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.448 -3.651 17.124 1.00 0.00 H new ATOM 0 HD13 ILE B 22 15.574 -5.028 17.158 1.00 0.00 H new ATOM 708 N VAL B 23 16.948 -1.348 21.179 1.00 0.00 N ATOM 709 CA VAL B 23 18.095 -0.532 21.590 1.00 0.00 C ATOM 710 C VAL B 23 18.148 -0.401 23.103 1.00 0.00 C ATOM 711 O VAL B 23 19.221 -0.344 23.699 1.00 0.00 O ATOM 712 CB VAL B 23 18.024 0.867 20.958 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.190 0.769 19.432 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.680 1.525 21.296 1.00 0.00 C ATOM 0 H VAL B 23 16.250 -0.854 20.624 1.00 0.00 H new ATOM 0 HA VAL B 23 18.999 -1.033 21.244 1.00 0.00 H new ATOM 0 HB VAL B 23 18.832 1.477 21.362 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.138 1.766 18.996 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.156 0.321 19.199 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.394 0.150 19.018 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.637 2.516 20.845 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.867 0.913 20.906 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.580 1.614 22.378 1.00 0.00 H new ATOM 724 N ILE B 24 16.988 -0.386 23.729 1.00 0.00 N ATOM 725 CA ILE B 24 16.932 -0.294 25.182 1.00 0.00 C ATOM 726 C ILE B 24 17.893 -1.335 25.777 1.00 0.00 C ATOM 727 O ILE B 24 18.335 -1.214 26.920 1.00 0.00 O ATOM 728 CB ILE B 24 15.459 -0.499 25.651 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.882 0.820 26.212 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.343 -1.585 26.731 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.976 1.956 25.170 1.00 0.00 C ATOM 0 H ILE B 24 16.081 -0.435 23.266 1.00 0.00 H new ATOM 0 HA ILE B 24 17.248 0.689 25.531 1.00 0.00 H new ATOM 0 HB ILE B 24 14.892 -0.817 24.776 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.841 0.672 26.500 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.425 1.104 27.114 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.300 -1.693 27.027 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.708 -2.533 26.335 1.00 0.00 H new ATOM 0 HG23 ILE B 24 15.939 -1.301 27.598 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.563 2.872 25.592 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.020 2.119 24.902 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.412 1.680 24.279 1.00 0.00 H new ATOM 743 N THR B 25 18.221 -2.349 24.973 1.00 0.00 N ATOM 744 CA THR B 25 19.145 -3.397 25.413 1.00 0.00 C ATOM 745 C THR B 25 20.585 -2.888 25.390 1.00 0.00 C ATOM 746 O THR B 25 21.366 -3.177 26.294 1.00 0.00 O ATOM 747 CB THR B 25 18.989 -4.665 24.549 1.00 0.00 C ATOM 748 OG1 THR B 25 19.291 -5.803 25.348 1.00 0.00 O ATOM 749 CG2 THR B 25 19.927 -4.639 23.335 1.00 0.00 C ATOM 0 H THR B 25 17.865 -2.467 24.024 1.00 0.00 H new ATOM 0 HA THR B 25 18.898 -3.663 26.441 1.00 0.00 H new ATOM 0 HB THR B 25 17.963 -4.709 24.182 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.193 -6.616 24.810 1.00 0.00 H new ATOM 0 HG21 THR B 25 19.790 -5.548 22.749 1.00 0.00 H new ATOM 0 HG22 THR B 25 19.698 -3.771 22.717 1.00 0.00 H new ATOM 0 HG23 THR B 25 20.961 -4.579 23.675 1.00 0.00 H new ATOM 757 N LEU B 26 20.938 -2.137 24.347 1.00 0.00 N ATOM 758 CA LEU B 26 22.278 -1.591 24.195 1.00 0.00 C ATOM 759 C LEU B 26 22.651 -0.745 25.413 1.00 0.00 C ATOM 760 O LEU B 26 23.808 -0.685 25.821 1.00 0.00 O ATOM 761 CB LEU B 26 22.252 -0.780 22.878 1.00 0.00 C ATOM 762 CG LEU B 26 23.450 0.162 22.695 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.362 1.376 23.646 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.765 -0.610 22.883 1.00 0.00 C ATOM 0 H LEU B 26 20.302 -1.893 23.588 1.00 0.00 H new ATOM 0 HA LEU B 26 23.043 -2.365 24.140 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.218 -1.474 22.038 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.334 -0.193 22.844 1.00 0.00 H new ATOM 0 HG LEU B 26 23.428 0.554 21.678 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.225 2.023 23.491 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.449 1.934 23.440 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.350 1.029 24.679 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.608 0.069 22.751 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.796 -1.036 23.886 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.825 -1.411 22.146 1.00 0.00 H new ATOM 776 N VAL B 27 21.650 -0.146 26.021 1.00 0.00 N ATOM 777 CA VAL B 27 21.864 0.659 27.223 1.00 0.00 C ATOM 778 C VAL B 27 22.424 -0.230 28.333 1.00 0.00 C ATOM 779 O VAL B 27 23.300 0.173 29.100 1.00 0.00 O ATOM 780 CB VAL B 27 20.540 1.283 27.668 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.777 2.240 28.842 1.00 0.00 C ATOM 782 CG2 VAL B 27 19.922 2.047 26.499 1.00 0.00 C ATOM 0 H VAL B 27 20.680 -0.196 25.711 1.00 0.00 H new ATOM 0 HA VAL B 27 22.575 1.457 27.008 1.00 0.00 H new ATOM 0 HB VAL B 27 19.861 0.493 27.988 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.828 2.679 29.151 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.212 1.691 29.677 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.460 3.032 28.534 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.978 2.493 26.814 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.605 2.833 26.177 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.741 1.361 25.671 1.00 0.00 H new ATOM 792 N MET B 28 21.896 -1.445 28.389 1.00 0.00 N ATOM 793 CA MET B 28 22.318 -2.430 29.381 1.00 0.00 C ATOM 794 C MET B 28 23.713 -2.967 29.055 1.00 0.00 C ATOM 795 O MET B 28 24.452 -3.373 29.950 1.00 0.00 O ATOM 796 CB MET B 28 21.323 -3.596 29.437 1.00 0.00 C ATOM 797 CG MET B 28 19.962 -3.101 29.938 1.00 0.00 C ATOM 798 SD MET B 28 20.097 -2.489 31.640 1.00 0.00 S ATOM 799 CE MET B 28 20.387 -4.080 32.456 1.00 0.00 C ATOM 0 H MET B 28 21.169 -1.776 27.755 1.00 0.00 H new ATOM 0 HA MET B 28 22.347 -1.935 30.352 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.216 -4.041 28.448 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.701 -4.376 30.098 1.00 0.00 H new ATOM 0 HG2 MET B 28 19.595 -2.307 29.288 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.234 -3.911 29.893 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.066 -4.019 33.496 1.00 0.00 H new ATOM 0 HE2 MET B 28 19.820 -4.859 31.946 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.449 -4.320 32.417 1.00 0.00 H new ATOM 809 N LEU B 29 24.062 -2.974 27.766 1.00 0.00 N ATOM 810 CA LEU B 29 25.369 -3.481 27.340 1.00 0.00 C ATOM 811 C LEU B 29 26.465 -2.444 27.585 1.00 0.00 C ATOM 812 O LEU B 29 27.648 -2.731 27.406 1.00 0.00 O ATOM 813 CB LEU B 29 25.341 -3.848 25.849 1.00 0.00 C ATOM 814 CG LEU B 29 24.258 -4.905 25.578 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.225 -5.220 24.076 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.563 -6.194 26.365 1.00 0.00 C ATOM 0 H LEU B 29 23.467 -2.639 27.008 1.00 0.00 H new ATOM 0 HA LEU B 29 25.588 -4.371 27.929 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.146 -2.957 25.252 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.315 -4.230 25.543 1.00 0.00 H new ATOM 0 HG LEU B 29 23.291 -4.516 25.898 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.458 -5.969 23.878 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.997 -4.311 23.519 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.196 -5.603 23.763 1.00 0.00 H new ATOM 0 HD21 LEU B 29 23.789 -6.935 26.164 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.531 -6.588 26.056 1.00 0.00 H new ATOM 0 HD23 LEU B 29 24.585 -5.972 27.432 1.00 0.00 H new ATOM 828 N LYS B 30 26.073 -1.241 27.999 1.00 0.00 N ATOM 829 CA LYS B 30 27.050 -0.185 28.264 1.00 0.00 C ATOM 830 C LYS B 30 27.991 -0.592 29.392 1.00 0.00 C ATOM 831 O LYS B 30 29.187 -0.304 29.346 1.00 0.00 O ATOM 832 CB LYS B 30 26.345 1.119 28.640 1.00 0.00 C ATOM 833 CG LYS B 30 25.674 1.715 27.399 1.00 0.00 C ATOM 834 CD LYS B 30 24.881 2.975 27.782 1.00 0.00 C ATOM 835 CE LYS B 30 25.815 4.188 27.866 1.00 0.00 C ATOM 836 NZ LYS B 30 26.528 4.361 26.569 1.00 0.00 N ATOM 0 H LYS B 30 25.101 -0.974 28.157 1.00 0.00 H new ATOM 0 HA LYS B 30 27.629 -0.031 27.353 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.601 0.932 29.414 1.00 0.00 H new ATOM 0 HB3 LYS B 30 27.064 1.827 29.053 1.00 0.00 H new ATOM 0 HG2 LYS B 30 26.428 1.963 26.652 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.008 0.980 26.947 1.00 0.00 H new ATOM 0 HD2 LYS B 30 24.100 3.159 27.044 1.00 0.00 H new ATOM 0 HD3 LYS B 30 24.385 2.823 28.740 1.00 0.00 H new ATOM 0 HE2 LYS B 30 25.242 5.085 28.100 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.535 4.050 28.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 26.752 5.367 26.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 27.409 3.809 26.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.921 4.029 25.792 1.00 0.00 H new ATOM 850 N LYS B 31 27.447 -1.255 30.411 1.00 0.00 N ATOM 851 CA LYS B 31 28.251 -1.690 31.556 1.00 0.00 C ATOM 852 C LYS B 31 28.732 -3.125 31.354 1.00 0.00 C ATOM 853 O LYS B 31 29.133 -3.794 32.305 1.00 0.00 O ATOM 854 CB LYS B 31 27.410 -1.596 32.842 1.00 0.00 C ATOM 855 CG LYS B 31 28.326 -1.498 34.079 1.00 0.00 C ATOM 856 CD LYS B 31 28.695 -0.030 34.346 1.00 0.00 C ATOM 857 CE LYS B 31 29.704 0.047 35.494 1.00 0.00 C ATOM 858 NZ LYS B 31 29.076 -0.467 36.743 1.00 0.00 N ATOM 0 H LYS B 31 26.459 -1.502 30.469 1.00 0.00 H new ATOM 0 HA LYS B 31 29.122 -1.040 31.644 1.00 0.00 H new ATOM 0 HB2 LYS B 31 26.758 -0.724 32.795 1.00 0.00 H new ATOM 0 HB3 LYS B 31 26.766 -2.471 32.927 1.00 0.00 H new ATOM 0 HG2 LYS B 31 27.822 -1.919 34.949 1.00 0.00 H new ATOM 0 HG3 LYS B 31 29.230 -2.085 33.919 1.00 0.00 H new ATOM 0 HD2 LYS B 31 29.118 0.418 33.447 1.00 0.00 H new ATOM 0 HD3 LYS B 31 27.800 0.540 34.596 1.00 0.00 H new ATOM 0 HE2 LYS B 31 30.591 -0.539 35.253 1.00 0.00 H new ATOM 0 HE3 LYS B 31 30.031 1.077 35.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 29.652 -0.187 37.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 28.120 -0.069 36.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 29.017 -1.504 36.700 1.00 0.00 H new ATOM 872 N LYS B 32 28.688 -3.589 30.108 1.00 0.00 N ATOM 873 CA LYS B 32 29.122 -4.945 29.792 1.00 0.00 C ATOM 874 C LYS B 32 28.548 -5.939 30.797 1.00 0.00 C ATOM 875 O LYS B 32 27.363 -6.217 30.715 1.00 0.00 O ATOM 876 CB LYS B 32 30.651 -5.022 29.807 1.00 0.00 C ATOM 877 CG LYS B 32 31.102 -6.416 29.367 1.00 0.00 C ATOM 878 CD LYS B 32 32.631 -6.468 29.327 1.00 0.00 C ATOM 879 CE LYS B 32 33.087 -7.857 28.873 1.00 0.00 C ATOM 880 NZ LYS B 32 32.597 -8.115 27.489 1.00 0.00 N ATOM 0 H LYS B 32 28.359 -3.050 29.307 1.00 0.00 H new ATOM 0 HA LYS B 32 28.757 -5.201 28.797 1.00 0.00 H new ATOM 0 HB2 LYS B 32 31.069 -4.267 29.141 1.00 0.00 H new ATOM 0 HB3 LYS B 32 31.026 -4.807 30.808 1.00 0.00 H new ATOM 0 HG2 LYS B 32 30.720 -7.168 30.057 1.00 0.00 H new ATOM 0 HG3 LYS B 32 30.694 -6.649 28.384 1.00 0.00 H new ATOM 0 HD2 LYS B 32 33.013 -5.708 28.645 1.00 0.00 H new ATOM 0 HD3 LYS B 32 33.038 -6.245 30.313 1.00 0.00 H new ATOM 0 HE2 LYS B 32 34.175 -7.922 28.903 1.00 0.00 H new ATOM 0 HE3 LYS B 32 32.704 -8.617 29.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 33.174 -8.861 27.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 31.604 -8.421 27.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 32.671 -7.243 26.926 1.00 0.00 H new