USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 168:sc= 0.488 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.596 (180deg=-0.902) USER MOD Single : A 2 ASN : amide:sc= -0.526! C(o=-0.53!,f=-11!) USER MOD Single : A 11 LYS NZ :NH3+ -103:sc= -1.44 (180deg=-4.02!) USER MOD Single : A 14 GLN : amide:sc= -2.25 K(o=-2.3,f=-0.47) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 101:sc= -2.09! USER MOD Single : A 34 SER OG : rot 55:sc= 0.272 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 9:sc= 1.2 USER MOD Single : A 40 GLN : amide:sc= -4.16! C(o=-4.2!,f=-7.5!) USER MOD Single : A 42 MET CE :methyl -145:sc= -0.927 (180deg=-2.2!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -140:sc= 1.16 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00844 USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.594) USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.148 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= 0.97 (180deg=0.399) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.205 -0.044 11.263 1.00 0.00 N ATOM 2 CA MET A 1 1.958 -0.138 9.987 1.00 0.00 C ATOM 3 C MET A 1 1.149 -0.858 8.911 1.00 0.00 C ATOM 4 O MET A 1 0.654 -0.215 7.995 1.00 0.00 O ATOM 5 CB MET A 1 3.319 -0.823 10.196 1.00 0.00 C ATOM 6 CG MET A 1 4.392 0.116 10.737 1.00 0.00 C ATOM 7 SD MET A 1 5.841 -0.757 11.365 1.00 0.00 S ATOM 8 CE MET A 1 6.393 -1.620 9.896 1.00 0.00 C ATOM 0 H1 MET A 1 1.846 0.262 12.023 1.00 0.00 H new ATOM 0 H2 MET A 1 0.434 0.647 11.161 1.00 0.00 H new ATOM 0 H3 MET A 1 0.807 -0.975 11.500 1.00 0.00 H new ATOM 0 HA MET A 1 2.139 0.879 9.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.195 -1.658 10.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.657 -1.241 9.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.701 0.800 9.946 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.966 0.724 11.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.457 -1.842 9.983 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.836 -2.551 9.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.223 -0.993 9.020 1.00 0.00 H new ATOM 17 N ASN A 2 0.990 -2.179 9.021 1.00 0.00 N ATOM 18 CA ASN A 2 0.316 -2.957 7.971 1.00 0.00 C ATOM 19 C ASN A 2 -1.114 -2.463 7.744 1.00 0.00 C ATOM 20 O ASN A 2 -1.566 -2.339 6.601 1.00 0.00 O ATOM 21 CB ASN A 2 0.331 -4.468 8.281 1.00 0.00 C ATOM 22 CG ASN A 2 -0.227 -4.838 9.650 1.00 0.00 C ATOM 23 OD1 ASN A 2 -1.085 -4.152 10.204 1.00 0.00 O ATOM 24 ND2 ASN A 2 0.259 -5.937 10.201 1.00 0.00 N ATOM 0 H ASN A 2 1.314 -2.730 9.816 1.00 0.00 H new ATOM 0 HA ASN A 2 0.877 -2.804 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.244 -4.989 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.357 -4.830 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.077 -6.241 11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.970 -6.481 9.712 1.00 0.00 H new ATOM 31 N ALA A 3 -1.812 -2.162 8.832 1.00 0.00 N ATOM 32 CA ALA A 3 -3.157 -1.608 8.753 1.00 0.00 C ATOM 33 C ALA A 3 -3.101 -0.169 8.251 1.00 0.00 C ATOM 34 O ALA A 3 -3.911 0.246 7.428 1.00 0.00 O ATOM 35 CB ALA A 3 -3.845 -1.684 10.109 1.00 0.00 C ATOM 0 H ALA A 3 -1.467 -2.293 9.783 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.741 -2.198 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.849 -1.266 10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.909 -2.725 10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.271 -1.116 10.841 1.00 0.00 H new ATOM 41 N THR A 4 -2.117 0.568 8.752 1.00 0.00 N ATOM 42 CA THR A 4 -1.868 1.948 8.347 1.00 0.00 C ATOM 43 C THR A 4 -1.707 2.058 6.826 1.00 0.00 C ATOM 44 O THR A 4 -2.276 2.941 6.179 1.00 0.00 O ATOM 45 CB THR A 4 -0.580 2.454 9.035 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.646 2.183 10.443 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.362 3.941 8.805 1.00 0.00 C ATOM 0 H THR A 4 -1.464 0.223 9.456 1.00 0.00 H new ATOM 0 HA THR A 4 -2.722 2.556 8.646 1.00 0.00 H new ATOM 0 HB THR A 4 0.264 1.924 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.173 2.503 10.876 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.554 4.256 9.305 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.277 4.135 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.207 4.499 9.209 1.00 0.00 H new ATOM 55 N ILE A 5 -0.938 1.127 6.273 1.00 0.00 N ATOM 56 CA ILE A 5 -0.610 1.112 4.854 1.00 0.00 C ATOM 57 C ILE A 5 -1.850 0.837 4.009 1.00 0.00 C ATOM 58 O ILE A 5 -2.122 1.556 3.056 1.00 0.00 O ATOM 59 CB ILE A 5 0.495 0.061 4.562 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.784 0.437 5.325 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.765 -0.048 3.058 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.790 -0.689 5.448 1.00 0.00 C ATOM 0 H ILE A 5 -0.523 0.358 6.800 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.230 2.097 4.584 1.00 0.00 H new ATOM 0 HB ILE A 5 0.151 -0.914 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.259 1.278 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.514 0.777 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.543 -0.791 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.148 -0.350 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.093 0.919 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.664 -0.338 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.337 -1.525 5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.094 -1.016 4.453 1.00 0.00 H new ATOM 74 N ARG A 6 -2.618 -0.188 4.372 1.00 0.00 N ATOM 75 CA ARG A 6 -3.838 -0.517 3.630 1.00 0.00 C ATOM 76 C ARG A 6 -4.895 0.568 3.843 1.00 0.00 C ATOM 77 O ARG A 6 -5.736 0.815 2.976 1.00 0.00 O ATOM 78 CB ARG A 6 -4.385 -1.892 4.051 1.00 0.00 C ATOM 79 CG ARG A 6 -4.884 -1.952 5.491 1.00 0.00 C ATOM 80 CD ARG A 6 -5.352 -3.352 5.874 1.00 0.00 C ATOM 81 NE ARG A 6 -5.844 -3.411 7.253 1.00 0.00 N ATOM 82 CZ ARG A 6 -5.687 -4.461 8.063 1.00 0.00 C ATOM 83 NH1 ARG A 6 -4.990 -5.522 7.669 1.00 0.00 N ATOM 84 NH2 ARG A 6 -6.207 -4.439 9.282 1.00 0.00 N ATOM 0 H ARG A 6 -2.423 -0.800 5.165 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.591 -0.563 2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.202 -2.165 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.602 -2.638 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.086 -1.639 6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.705 -1.247 5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.143 -3.668 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.528 -4.055 5.753 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.339 -2.597 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.569 -5.539 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.876 -6.319 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.726 -3.621 9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.088 -5.240 9.902 1.00 0.00 H new ATOM 98 N GLU A 7 -4.825 1.226 5.000 1.00 0.00 N ATOM 99 CA GLU A 7 -5.773 2.274 5.365 1.00 0.00 C ATOM 100 C GLU A 7 -5.637 3.481 4.442 1.00 0.00 C ATOM 101 O GLU A 7 -6.636 4.043 3.990 1.00 0.00 O ATOM 102 CB GLU A 7 -5.545 2.701 6.825 1.00 0.00 C ATOM 103 CG GLU A 7 -6.370 3.907 7.263 1.00 0.00 C ATOM 104 CD GLU A 7 -6.260 4.182 8.756 1.00 0.00 C ATOM 105 OE1 GLU A 7 -7.077 3.635 9.526 1.00 0.00 O ATOM 106 OE2 GLU A 7 -5.359 4.945 9.167 1.00 0.00 O ATOM 0 H GLU A 7 -4.112 1.047 5.707 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.782 1.875 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.778 1.860 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.488 2.929 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.041 4.787 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.416 3.740 7.004 1.00 0.00 H new ATOM 113 N ILE A 8 -4.396 3.866 4.150 1.00 0.00 N ATOM 114 CA ILE A 8 -4.142 5.064 3.361 1.00 0.00 C ATOM 115 C ILE A 8 -4.747 4.941 1.954 1.00 0.00 C ATOM 116 O ILE A 8 -5.176 5.936 1.366 1.00 0.00 O ATOM 117 CB ILE A 8 -2.631 5.412 3.276 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.463 6.882 2.872 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.905 4.497 2.294 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.031 7.349 2.813 1.00 0.00 C ATOM 0 H ILE A 8 -3.557 3.368 4.447 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.633 5.887 3.881 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.184 5.257 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.923 7.033 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.008 7.506 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.850 4.767 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.004 3.462 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.342 4.608 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.002 8.398 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.570 7.233 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.484 6.753 2.082 1.00 0.00 H new ATOM 132 N LEU A 9 -4.790 3.714 1.425 1.00 0.00 N ATOM 133 CA LEU A 9 -5.369 3.457 0.100 1.00 0.00 C ATOM 134 C LEU A 9 -6.833 3.889 0.035 1.00 0.00 C ATOM 135 O LEU A 9 -7.318 4.295 -1.019 1.00 0.00 O ATOM 136 CB LEU A 9 -5.256 1.966 -0.280 1.00 0.00 C ATOM 137 CG LEU A 9 -3.896 1.516 -0.842 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.543 2.301 -2.103 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.797 1.658 0.205 1.00 0.00 C ATOM 0 H LEU A 9 -4.431 2.882 1.893 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.797 4.049 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.478 1.368 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.025 1.740 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.976 0.462 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.578 1.966 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.308 2.135 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.491 3.364 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.847 1.333 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.720 2.701 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.038 1.042 1.071 1.00 0.00 H new ATOM 151 N ALA A 10 -7.528 3.802 1.164 1.00 0.00 N ATOM 152 CA ALA A 10 -8.948 4.141 1.219 1.00 0.00 C ATOM 153 C ALA A 10 -9.165 5.649 1.098 1.00 0.00 C ATOM 154 O ALA A 10 -10.187 6.100 0.574 1.00 0.00 O ATOM 155 CB ALA A 10 -9.566 3.615 2.508 1.00 0.00 C ATOM 0 H ALA A 10 -7.132 3.500 2.054 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.441 3.665 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.624 3.874 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.457 2.531 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.060 4.062 3.363 1.00 0.00 H new ATOM 161 N LYS A 11 -8.196 6.422 1.579 1.00 0.00 N ATOM 162 CA LYS A 11 -8.333 7.878 1.663 1.00 0.00 C ATOM 163 C LYS A 11 -7.463 8.599 0.618 1.00 0.00 C ATOM 164 O LYS A 11 -7.979 9.374 -0.187 1.00 0.00 O ATOM 165 CB LYS A 11 -8.007 8.341 3.095 1.00 0.00 C ATOM 166 CG LYS A 11 -6.698 7.781 3.648 1.00 0.00 C ATOM 167 CD LYS A 11 -6.520 8.036 5.150 1.00 0.00 C ATOM 168 CE LYS A 11 -6.466 9.521 5.512 1.00 0.00 C ATOM 169 NZ LYS A 11 -7.795 10.184 5.408 1.00 0.00 N ATOM 0 H LYS A 11 -7.303 6.065 1.919 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.365 8.144 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.960 9.430 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.823 8.047 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.661 6.708 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.862 8.227 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.343 7.568 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.602 7.554 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.088 9.630 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.759 10.026 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.835 10.746 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.543 9.462 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.936 10.809 6.227 1.00 0.00 H new ATOM 183 N PHE A 12 -6.154 8.339 0.626 1.00 0.00 N ATOM 184 CA PHE A 12 -5.231 8.958 -0.337 1.00 0.00 C ATOM 185 C PHE A 12 -5.199 8.170 -1.645 1.00 0.00 C ATOM 186 O PHE A 12 -5.101 8.750 -2.732 1.00 0.00 O ATOM 187 CB PHE A 12 -3.809 9.040 0.243 1.00 0.00 C ATOM 188 CG PHE A 12 -3.567 10.218 1.157 1.00 0.00 C ATOM 189 CD1 PHE A 12 -4.077 10.239 2.446 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.818 11.305 0.723 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.847 11.315 3.282 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.587 12.384 1.555 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.103 12.389 2.834 1.00 0.00 C ATOM 0 H PHE A 12 -5.706 7.705 1.287 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.594 9.966 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.602 8.122 0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.097 9.085 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.662 9.403 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.411 11.307 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.249 11.316 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.003 13.222 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.925 13.232 3.485 1.00 0.00 H new ATOM 203 N GLY A 13 -5.289 6.847 -1.530 1.00 0.00 N ATOM 204 CA GLY A 13 -5.200 5.982 -2.693 1.00 0.00 C ATOM 205 C GLY A 13 -6.245 6.312 -3.743 1.00 0.00 C ATOM 206 O GLY A 13 -7.442 6.344 -3.452 1.00 0.00 O ATOM 0 H GLY A 13 -5.423 6.357 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.207 6.071 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.319 4.945 -2.380 1.00 0.00 H new ATOM 210 N GLN A 14 -5.797 6.544 -4.974 1.00 0.00 N ATOM 211 CA GLN A 14 -6.703 6.930 -6.056 1.00 0.00 C ATOM 212 C GLN A 14 -7.309 5.683 -6.710 1.00 0.00 C ATOM 213 O GLN A 14 -7.426 5.595 -7.936 1.00 0.00 O ATOM 214 CB GLN A 14 -5.965 7.780 -7.102 1.00 0.00 C ATOM 215 CG GLN A 14 -6.903 8.588 -7.997 1.00 0.00 C ATOM 216 CD GLN A 14 -6.192 9.319 -9.123 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.590 10.418 -9.509 1.00 0.00 O ATOM 218 NE2 GLN A 14 -5.165 8.704 -9.686 1.00 0.00 N ATOM 0 H GLN A 14 -4.817 6.472 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.509 7.530 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.285 8.462 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.354 7.127 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.649 7.919 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.439 9.314 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.863 7.794 -9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.675 9.140 -10.467 1.00 0.00 H new ATOM 227 N LEU A 15 -7.696 4.724 -5.879 1.00 0.00 N ATOM 228 CA LEU A 15 -8.293 3.482 -6.349 1.00 0.00 C ATOM 229 C LEU A 15 -9.722 3.758 -6.833 1.00 0.00 C ATOM 230 O LEU A 15 -10.503 4.393 -6.122 1.00 0.00 O ATOM 231 CB LEU A 15 -8.292 2.449 -5.209 1.00 0.00 C ATOM 232 CG LEU A 15 -8.490 0.981 -5.624 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.325 0.496 -6.487 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.651 0.095 -4.391 1.00 0.00 C ATOM 0 H LEU A 15 -7.605 4.785 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.714 3.080 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.346 2.529 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.080 2.715 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.401 0.915 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.488 -0.545 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.259 1.108 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.396 0.578 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.790 -0.940 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.758 0.170 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.520 0.422 -3.819 1.00 0.00 H new ATOM 246 N PRO A 16 -10.090 3.291 -8.042 1.00 0.00 N ATOM 247 CA PRO A 16 -11.415 3.563 -8.615 1.00 0.00 C ATOM 248 C PRO A 16 -12.495 2.743 -7.923 1.00 0.00 C ATOM 249 O PRO A 16 -13.687 3.043 -8.009 1.00 0.00 O ATOM 250 CB PRO A 16 -11.261 3.139 -10.080 1.00 0.00 C ATOM 251 CG PRO A 16 -10.195 2.093 -10.068 1.00 0.00 C ATOM 252 CD PRO A 16 -9.271 2.433 -8.923 1.00 0.00 C ATOM 0 HA PRO A 16 -11.720 4.603 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.196 2.745 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.978 3.984 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.627 1.101 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.653 2.081 -11.013 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.933 1.536 -8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.380 2.955 -9.271 1.00 0.00 H new ATOM 260 N THR A 17 -12.046 1.712 -7.232 1.00 0.00 N ATOM 261 CA THR A 17 -12.899 0.795 -6.522 1.00 0.00 C ATOM 262 C THR A 17 -12.705 0.982 -5.015 1.00 0.00 C ATOM 263 O THR A 17 -11.586 1.235 -4.565 1.00 0.00 O ATOM 264 CB THR A 17 -12.536 -0.640 -6.953 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.926 -0.851 -8.317 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.175 -1.684 -6.062 1.00 0.00 C ATOM 0 H THR A 17 -11.054 1.489 -7.151 1.00 0.00 H new ATOM 0 HA THR A 17 -13.947 0.984 -6.754 1.00 0.00 H new ATOM 0 HB THR A 17 -11.456 -0.749 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.692 -1.764 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.890 -2.679 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.836 -1.543 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.260 -1.583 -6.103 1.00 0.00 H new ATOM 274 N PRO A 18 -13.786 0.907 -4.218 1.00 0.00 N ATOM 275 CA PRO A 18 -13.696 1.054 -2.760 1.00 0.00 C ATOM 276 C PRO A 18 -12.827 -0.037 -2.135 1.00 0.00 C ATOM 277 O PRO A 18 -13.085 -1.227 -2.322 1.00 0.00 O ATOM 278 CB PRO A 18 -15.156 0.938 -2.283 1.00 0.00 C ATOM 279 CG PRO A 18 -15.880 0.265 -3.402 1.00 0.00 C ATOM 280 CD PRO A 18 -15.172 0.678 -4.666 1.00 0.00 C ATOM 0 HA PRO A 18 -13.230 1.995 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.225 0.357 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.581 1.919 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.863 -0.818 -3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.927 0.566 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.225 -0.098 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.610 1.579 -5.097 1.00 0.00 H new ATOM 288 N VAL A 19 -11.804 0.375 -1.389 1.00 0.00 N ATOM 289 CA VAL A 19 -10.887 -0.561 -0.734 1.00 0.00 C ATOM 290 C VAL A 19 -11.655 -1.489 0.211 1.00 0.00 C ATOM 291 O VAL A 19 -11.206 -2.589 0.531 1.00 0.00 O ATOM 292 CB VAL A 19 -9.782 0.196 0.053 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.810 -0.776 0.725 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.031 1.155 -0.871 1.00 0.00 C ATOM 0 H VAL A 19 -11.587 1.357 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.409 -1.158 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.267 0.775 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.050 -0.214 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.356 -1.413 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.331 -1.395 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.260 1.678 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.567 0.592 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.730 1.881 -1.288 1.00 0.00 H new ATOM 304 N ASP A 20 -12.833 -1.034 0.613 1.00 0.00 N ATOM 305 CA ASP A 20 -13.717 -1.784 1.502 1.00 0.00 C ATOM 306 C ASP A 20 -13.995 -3.197 0.979 1.00 0.00 C ATOM 307 O ASP A 20 -14.137 -4.135 1.765 1.00 0.00 O ATOM 308 CB ASP A 20 -15.036 -1.021 1.668 1.00 0.00 C ATOM 309 CG ASP A 20 -16.043 -1.750 2.544 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.935 -1.651 3.788 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.953 -2.409 1.996 1.00 0.00 O ATOM 0 H ASP A 20 -13.207 -0.128 0.331 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.217 -1.886 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.830 -0.042 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.476 -0.850 0.685 1.00 0.00 H new ATOM 316 N THR A 21 -14.060 -3.350 -0.343 1.00 0.00 N ATOM 317 CA THR A 21 -14.410 -4.638 -0.944 1.00 0.00 C ATOM 318 C THR A 21 -13.193 -5.564 -1.038 1.00 0.00 C ATOM 319 O THR A 21 -13.339 -6.787 -1.100 1.00 0.00 O ATOM 320 CB THR A 21 -15.040 -4.462 -2.351 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.584 -5.709 -2.812 1.00 0.00 O ATOM 322 CG2 THR A 21 -14.015 -3.957 -3.363 1.00 0.00 C ATOM 0 H THR A 21 -13.877 -2.605 -1.015 1.00 0.00 H new ATOM 0 HA THR A 21 -15.149 -5.096 -0.287 1.00 0.00 H new ATOM 0 HB THR A 21 -15.835 -3.722 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.980 -5.585 -3.700 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.490 -3.845 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.626 -2.993 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.196 -4.672 -3.439 1.00 0.00 H new ATOM 330 N ILE A 22 -11.994 -4.986 -1.040 1.00 0.00 N ATOM 331 CA ILE A 22 -10.763 -5.770 -1.159 1.00 0.00 C ATOM 332 C ILE A 22 -10.059 -5.882 0.192 1.00 0.00 C ATOM 333 O ILE A 22 -10.557 -5.399 1.209 1.00 0.00 O ATOM 334 CB ILE A 22 -9.778 -5.165 -2.203 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.413 -3.720 -1.826 1.00 0.00 C ATOM 336 CG2 ILE A 22 -10.370 -5.232 -3.613 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.394 -3.083 -2.746 1.00 0.00 C ATOM 0 H ILE A 22 -11.847 -3.980 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.057 -6.761 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.864 -5.759 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.319 -3.114 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.025 -3.708 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.664 -4.804 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.565 -6.271 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.303 -4.669 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.190 -2.065 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.472 -3.664 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.786 -3.061 -3.763 1.00 0.00 H new ATOM 349 N ALA A 23 -8.899 -6.527 0.189 1.00 0.00 N ATOM 350 CA ALA A 23 -8.107 -6.722 1.394 1.00 0.00 C ATOM 351 C ALA A 23 -6.690 -7.129 1.014 1.00 0.00 C ATOM 352 O ALA A 23 -6.394 -7.328 -0.165 1.00 0.00 O ATOM 353 CB ALA A 23 -8.748 -7.779 2.294 1.00 0.00 C ATOM 0 H ALA A 23 -8.482 -6.929 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.070 -5.785 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.141 -7.911 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.749 -7.456 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.811 -8.725 1.756 1.00 0.00 H new ATOM 359 N ASP A 24 -5.827 -7.269 2.011 1.00 0.00 N ATOM 360 CA ASP A 24 -4.439 -7.669 1.788 1.00 0.00 C ATOM 361 C ASP A 24 -4.376 -9.060 1.166 1.00 0.00 C ATOM 362 O ASP A 24 -3.527 -9.340 0.321 1.00 0.00 O ATOM 363 CB ASP A 24 -3.665 -7.646 3.116 1.00 0.00 C ATOM 364 CG ASP A 24 -4.225 -8.613 4.151 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.444 -8.559 4.423 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.449 -9.424 4.698 1.00 0.00 O ATOM 0 H ASP A 24 -6.064 -7.111 2.990 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.980 -6.962 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.620 -7.892 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.685 -6.635 3.524 1.00 0.00 H new ATOM 371 N GLU A 25 -5.297 -9.916 1.595 1.00 0.00 N ATOM 372 CA GLU A 25 -5.392 -11.296 1.115 1.00 0.00 C ATOM 373 C GLU A 25 -6.100 -11.382 -0.243 1.00 0.00 C ATOM 374 O GLU A 25 -6.253 -12.473 -0.799 1.00 0.00 O ATOM 375 CB GLU A 25 -6.152 -12.141 2.147 1.00 0.00 C ATOM 376 CG GLU A 25 -5.442 -12.270 3.491 1.00 0.00 C ATOM 377 CD GLU A 25 -4.240 -13.200 3.434 1.00 0.00 C ATOM 378 OE1 GLU A 25 -3.142 -12.753 3.052 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.390 -14.397 3.766 1.00 0.00 O ATOM 0 H GLU A 25 -6.004 -9.674 2.289 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.379 -11.678 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.135 -11.700 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.314 -13.138 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.117 -11.283 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.147 -12.640 4.236 1.00 0.00 H new ATOM 386 N ALA A 26 -6.528 -10.238 -0.771 1.00 0.00 N ATOM 387 CA ALA A 26 -7.279 -10.201 -2.025 1.00 0.00 C ATOM 388 C ALA A 26 -6.431 -9.629 -3.157 1.00 0.00 C ATOM 389 O ALA A 26 -5.495 -8.863 -2.923 1.00 0.00 O ATOM 390 CB ALA A 26 -8.558 -9.387 -1.852 1.00 0.00 C ATOM 0 H ALA A 26 -6.368 -9.323 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.547 -11.224 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.107 -9.368 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.178 -9.843 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.304 -8.368 -1.559 1.00 0.00 H new ATOM 396 N ASP A 27 -6.768 -10.011 -4.385 1.00 0.00 N ATOM 397 CA ASP A 27 -6.065 -9.530 -5.570 1.00 0.00 C ATOM 398 C ASP A 27 -6.430 -8.071 -5.854 1.00 0.00 C ATOM 399 O ASP A 27 -7.486 -7.768 -6.408 1.00 0.00 O ATOM 400 CB ASP A 27 -6.359 -10.431 -6.787 1.00 0.00 C ATOM 401 CG ASP A 27 -7.843 -10.631 -7.063 1.00 0.00 C ATOM 402 OD1 ASP A 27 -8.571 -11.089 -6.151 1.00 0.00 O ATOM 403 OD2 ASP A 27 -8.283 -10.383 -8.205 1.00 0.00 O ATOM 0 H ASP A 27 -7.530 -10.658 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.993 -9.577 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.891 -9.996 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.895 -11.404 -6.627 1.00 0.00 H new ATOM 408 N LEU A 28 -5.533 -7.174 -5.450 1.00 0.00 N ATOM 409 CA LEU A 28 -5.755 -5.726 -5.533 1.00 0.00 C ATOM 410 C LEU A 28 -5.953 -5.259 -6.975 1.00 0.00 C ATOM 411 O LEU A 28 -6.580 -4.224 -7.221 1.00 0.00 O ATOM 412 CB LEU A 28 -4.564 -4.980 -4.914 1.00 0.00 C ATOM 413 CG LEU A 28 -4.194 -5.398 -3.481 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.987 -4.607 -2.988 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.383 -5.222 -2.537 1.00 0.00 C ATOM 0 H LEU A 28 -4.628 -7.428 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.667 -5.502 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.693 -5.127 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.785 -3.913 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.929 -6.455 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.740 -4.916 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.136 -4.796 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.221 -3.543 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.096 -5.524 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.689 -4.176 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.213 -5.840 -2.878 1.00 0.00 H new ATOM 427 N TYR A 29 -5.416 -6.022 -7.924 1.00 0.00 N ATOM 428 CA TYR A 29 -5.513 -5.672 -9.343 1.00 0.00 C ATOM 429 C TYR A 29 -6.979 -5.563 -9.745 1.00 0.00 C ATOM 430 O TYR A 29 -7.353 -4.732 -10.571 1.00 0.00 O ATOM 431 CB TYR A 29 -4.821 -6.726 -10.230 1.00 0.00 C ATOM 432 CG TYR A 29 -3.747 -7.531 -9.526 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.468 -7.023 -9.334 1.00 0.00 C ATOM 434 CD2 TYR A 29 -4.024 -8.809 -9.049 1.00 0.00 C ATOM 435 CE1 TYR A 29 -1.497 -7.767 -8.692 1.00 0.00 C ATOM 436 CE2 TYR A 29 -3.059 -9.556 -8.406 1.00 0.00 C ATOM 437 CZ TYR A 29 -1.798 -9.031 -8.229 1.00 0.00 C ATOM 438 OH TYR A 29 -0.836 -9.773 -7.584 1.00 0.00 O ATOM 0 H TYR A 29 -4.909 -6.887 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.011 -4.716 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.576 -7.411 -10.616 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.377 -6.224 -11.090 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.230 -6.032 -9.692 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.012 -9.223 -9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.506 -7.361 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.291 -10.547 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.982 -9.728 -6.616 1.00 0.00 H new ATOM 448 N ALA A 30 -7.799 -6.404 -9.123 1.00 0.00 N ATOM 449 CA ALA A 30 -9.227 -6.455 -9.400 1.00 0.00 C ATOM 450 C ALA A 30 -9.903 -5.119 -9.085 1.00 0.00 C ATOM 451 O ALA A 30 -10.912 -4.758 -9.696 1.00 0.00 O ATOM 452 CB ALA A 30 -9.861 -7.572 -8.586 1.00 0.00 C ATOM 0 H ALA A 30 -7.491 -7.068 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.367 -6.653 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.930 -7.611 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.404 -8.524 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.703 -7.383 -7.524 1.00 0.00 H new ATOM 458 N ALA A 31 -9.338 -4.392 -8.124 1.00 0.00 N ATOM 459 CA ALA A 31 -9.870 -3.095 -7.715 1.00 0.00 C ATOM 460 C ALA A 31 -9.321 -1.979 -8.599 1.00 0.00 C ATOM 461 O ALA A 31 -9.766 -0.832 -8.523 1.00 0.00 O ATOM 462 CB ALA A 31 -9.538 -2.829 -6.255 1.00 0.00 C ATOM 0 H ALA A 31 -8.506 -4.682 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.954 -3.116 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.940 -1.859 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.980 -3.608 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.456 -2.829 -6.122 1.00 0.00 H new ATOM 468 N GLY A 32 -8.349 -2.328 -9.430 1.00 0.00 N ATOM 469 CA GLY A 32 -7.770 -1.375 -10.361 1.00 0.00 C ATOM 470 C GLY A 32 -6.570 -0.651 -9.785 1.00 0.00 C ATOM 471 O GLY A 32 -6.437 0.568 -9.935 1.00 0.00 O ATOM 0 H GLY A 32 -7.946 -3.264 -9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.472 -1.897 -11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.528 -0.645 -10.646 1.00 0.00 H new ATOM 475 N LEU A 33 -5.696 -1.401 -9.116 1.00 0.00 N ATOM 476 CA LEU A 33 -4.472 -0.841 -8.546 1.00 0.00 C ATOM 477 C LEU A 33 -3.613 -0.218 -9.648 1.00 0.00 C ATOM 478 O LEU A 33 -3.022 -0.925 -10.464 1.00 0.00 O ATOM 479 CB LEU A 33 -3.680 -1.928 -7.800 1.00 0.00 C ATOM 480 CG LEU A 33 -2.390 -1.450 -7.107 1.00 0.00 C ATOM 481 CD1 LEU A 33 -2.702 -0.399 -6.044 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.636 -2.630 -6.494 1.00 0.00 C ATOM 0 H LEU A 33 -5.814 -2.401 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.745 -0.063 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.331 -2.376 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.421 -2.715 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.751 -0.991 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.776 -0.077 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.188 0.458 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.366 -0.827 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.728 -2.270 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.269 -3.123 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.372 -3.340 -7.278 1.00 0.00 H new ATOM 494 N SER A 34 -3.574 1.111 -9.678 1.00 0.00 N ATOM 495 CA SER A 34 -2.839 1.849 -10.701 1.00 0.00 C ATOM 496 C SER A 34 -1.531 2.409 -10.133 1.00 0.00 C ATOM 497 O SER A 34 -1.405 2.594 -8.917 1.00 0.00 O ATOM 498 CB SER A 34 -3.725 2.976 -11.240 1.00 0.00 C ATOM 499 OG SER A 34 -4.989 2.472 -11.646 1.00 0.00 O ATOM 0 H SER A 34 -4.048 1.704 -8.998 1.00 0.00 H new ATOM 0 HA SER A 34 -2.580 1.174 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.861 3.737 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.233 3.460 -12.084 1.00 0.00 H new ATOM 0 HG SER A 34 -5.400 1.983 -10.903 1.00 0.00 H new ATOM 505 N SER A 35 -0.579 2.696 -11.021 1.00 0.00 N ATOM 506 CA SER A 35 0.764 3.120 -10.627 1.00 0.00 C ATOM 507 C SER A 35 0.719 4.362 -9.730 1.00 0.00 C ATOM 508 O SER A 35 1.249 4.348 -8.614 1.00 0.00 O ATOM 509 CB SER A 35 1.620 3.391 -11.873 1.00 0.00 C ATOM 510 OG SER A 35 2.963 3.677 -11.524 1.00 0.00 O ATOM 0 H SER A 35 -0.717 2.641 -12.030 1.00 0.00 H new ATOM 0 HA SER A 35 1.217 2.312 -10.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.590 2.524 -12.533 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.200 4.229 -12.430 1.00 0.00 H new ATOM 0 HG SER A 35 3.484 3.843 -12.337 1.00 0.00 H new ATOM 516 N PHE A 36 0.073 5.426 -10.209 1.00 0.00 N ATOM 517 CA PHE A 36 -0.026 6.671 -9.450 1.00 0.00 C ATOM 518 C PHE A 36 -0.636 6.413 -8.075 1.00 0.00 C ATOM 519 O PHE A 36 -0.176 6.952 -7.070 1.00 0.00 O ATOM 520 CB PHE A 36 -0.859 7.715 -10.205 1.00 0.00 C ATOM 521 CG PHE A 36 -1.048 9.003 -9.436 1.00 0.00 C ATOM 522 CD1 PHE A 36 0.008 9.886 -9.264 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.278 9.322 -8.875 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.158 11.059 -8.551 1.00 0.00 C ATOM 525 CE2 PHE A 36 -2.448 10.494 -8.161 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.388 11.364 -8.000 1.00 0.00 C ATOM 0 H PHE A 36 -0.389 5.450 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 36 0.983 7.064 -9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.375 7.936 -11.156 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.837 7.291 -10.436 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.972 9.654 -9.692 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.112 8.647 -8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.673 11.737 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.410 10.729 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.520 12.281 -7.445 1.00 0.00 H new ATOM 536 N ALA A 37 -1.661 5.571 -8.040 1.00 0.00 N ATOM 537 CA ALA A 37 -2.346 5.248 -6.796 1.00 0.00 C ATOM 538 C ALA A 37 -1.400 4.541 -5.825 1.00 0.00 C ATOM 539 O ALA A 37 -1.417 4.810 -4.623 1.00 0.00 O ATOM 540 CB ALA A 37 -3.575 4.388 -7.075 1.00 0.00 C ATOM 0 H ALA A 37 -2.037 5.098 -8.862 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.674 6.178 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.077 4.155 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.259 4.932 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.268 3.462 -7.562 1.00 0.00 H new ATOM 546 N SER A 38 -0.564 3.651 -6.357 1.00 0.00 N ATOM 547 CA SER A 38 0.348 2.870 -5.529 1.00 0.00 C ATOM 548 C SER A 38 1.555 3.698 -5.069 1.00 0.00 C ATOM 549 O SER A 38 2.095 3.468 -3.986 1.00 0.00 O ATOM 550 CB SER A 38 0.804 1.606 -6.277 1.00 0.00 C ATOM 551 OG SER A 38 1.329 1.914 -7.561 1.00 0.00 O ATOM 0 H SER A 38 -0.501 3.454 -7.356 1.00 0.00 H new ATOM 0 HA SER A 38 -0.196 2.569 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.562 1.089 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.038 0.922 -6.383 1.00 0.00 H new ATOM 0 HG SER A 38 1.429 2.885 -7.649 1.00 0.00 H new ATOM 557 N VAL A 39 1.981 4.662 -5.882 1.00 0.00 N ATOM 558 CA VAL A 39 3.146 5.480 -5.533 1.00 0.00 C ATOM 559 C VAL A 39 2.751 6.645 -4.623 1.00 0.00 C ATOM 560 O VAL A 39 3.513 7.041 -3.738 1.00 0.00 O ATOM 561 CB VAL A 39 3.886 6.021 -6.788 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.346 4.871 -7.682 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.014 7.003 -7.571 1.00 0.00 C ATOM 0 H VAL A 39 1.546 4.896 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 39 3.832 4.824 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 39 4.767 6.563 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.862 5.272 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.025 4.226 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.480 4.293 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.562 7.362 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.103 6.501 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.754 7.848 -6.933 1.00 0.00 H new ATOM 573 N GLN A 40 1.549 7.175 -4.829 1.00 0.00 N ATOM 574 CA GLN A 40 1.068 8.325 -4.065 1.00 0.00 C ATOM 575 C GLN A 40 0.862 7.941 -2.602 1.00 0.00 C ATOM 576 O GLN A 40 1.183 8.716 -1.697 1.00 0.00 O ATOM 577 CB GLN A 40 -0.231 8.868 -4.694 1.00 0.00 C ATOM 578 CG GLN A 40 -0.640 10.263 -4.217 1.00 0.00 C ATOM 579 CD GLN A 40 -1.227 10.277 -2.814 1.00 0.00 C ATOM 580 OE1 GLN A 40 -1.869 9.320 -2.385 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.004 11.361 -2.090 1.00 0.00 N ATOM 0 H GLN A 40 0.887 6.826 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 40 1.816 9.117 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.112 8.890 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.042 8.173 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.231 10.917 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.371 10.676 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.466 12.134 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.370 11.424 -1.140 1.00 0.00 H new ATOM 590 N LEU A 41 0.359 6.727 -2.374 1.00 0.00 N ATOM 591 CA LEU A 41 0.075 6.253 -1.020 1.00 0.00 C ATOM 592 C LEU A 41 1.334 6.321 -0.154 1.00 0.00 C ATOM 593 O LEU A 41 1.259 6.503 1.059 1.00 0.00 O ATOM 594 CB LEU A 41 -0.496 4.815 -1.058 1.00 0.00 C ATOM 595 CG LEU A 41 0.530 3.666 -1.219 1.00 0.00 C ATOM 596 CD1 LEU A 41 1.018 3.165 0.142 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.063 2.510 -2.020 1.00 0.00 C ATOM 0 H LEU A 41 0.140 6.055 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.677 6.904 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.055 4.646 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.209 4.753 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 41 1.384 4.066 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.737 2.359 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.495 3.983 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.170 2.795 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.679 1.717 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.942 2.123 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.350 2.863 -3.011 1.00 0.00 H new ATOM 609 N MET A 42 2.494 6.196 -0.793 1.00 0.00 N ATOM 610 CA MET A 42 3.766 6.175 -0.077 1.00 0.00 C ATOM 611 C MET A 42 4.067 7.545 0.524 1.00 0.00 C ATOM 612 O MET A 42 4.576 7.644 1.640 1.00 0.00 O ATOM 613 CB MET A 42 4.903 5.751 -1.018 1.00 0.00 C ATOM 614 CG MET A 42 4.635 4.445 -1.755 1.00 0.00 C ATOM 615 SD MET A 42 6.062 3.867 -2.695 1.00 0.00 S ATOM 616 CE MET A 42 6.384 5.283 -3.742 1.00 0.00 C ATOM 0 H MET A 42 2.579 6.108 -1.806 1.00 0.00 H new ATOM 0 HA MET A 42 3.690 5.449 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.072 6.542 -1.749 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.822 5.650 -0.440 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.346 3.680 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.791 4.581 -2.431 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.738 4.943 -4.715 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.466 5.857 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.144 5.912 -3.279 1.00 0.00 H new ATOM 626 N LEU A 43 3.722 8.597 -0.215 1.00 0.00 N ATOM 627 CA LEU A 43 3.997 9.969 0.213 1.00 0.00 C ATOM 628 C LEU A 43 3.319 10.260 1.551 1.00 0.00 C ATOM 629 O LEU A 43 3.927 10.828 2.462 1.00 0.00 O ATOM 630 CB LEU A 43 3.519 10.968 -0.851 1.00 0.00 C ATOM 631 CG LEU A 43 4.089 10.753 -2.264 1.00 0.00 C ATOM 632 CD1 LEU A 43 3.552 11.808 -3.227 1.00 0.00 C ATOM 633 CD2 LEU A 43 5.619 10.764 -2.241 1.00 0.00 C ATOM 0 H LEU A 43 3.250 8.526 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 43 5.074 10.079 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.431 10.921 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.779 11.974 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 43 3.765 9.774 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.967 11.639 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.465 11.741 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.840 12.800 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.999 10.610 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.970 11.724 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.979 9.965 -1.592 1.00 0.00 H new ATOM 645 N GLY A 44 2.057 9.856 1.661 1.00 0.00 N ATOM 646 CA GLY A 44 1.310 10.059 2.891 1.00 0.00 C ATOM 647 C GLY A 44 1.699 9.059 3.964 1.00 0.00 C ATOM 648 O GLY A 44 1.631 9.348 5.159 1.00 0.00 O ATOM 0 H GLY A 44 1.536 9.390 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.484 11.071 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.243 9.974 2.685 1.00 0.00 H new ATOM 652 N ILE A 45 2.109 7.871 3.528 1.00 0.00 N ATOM 653 CA ILE A 45 2.489 6.795 4.439 1.00 0.00 C ATOM 654 C ILE A 45 3.827 7.094 5.125 1.00 0.00 C ATOM 655 O ILE A 45 4.063 6.656 6.255 1.00 0.00 O ATOM 656 CB ILE A 45 2.526 5.422 3.692 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.241 4.620 3.984 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.773 4.602 4.036 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.042 4.298 5.452 1.00 0.00 C ATOM 0 H ILE A 45 2.187 7.628 2.540 1.00 0.00 H new ATOM 0 HA ILE A 45 1.730 6.731 5.219 1.00 0.00 H new ATOM 0 HB ILE A 45 2.577 5.634 2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.381 5.186 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.268 3.689 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.750 3.658 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.665 5.161 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.793 4.402 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.118 3.733 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.883 3.704 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.982 5.225 6.023 1.00 0.00 H new ATOM 671 N GLU A 46 4.687 7.857 4.450 1.00 0.00 N ATOM 672 CA GLU A 46 5.990 8.229 5.004 1.00 0.00 C ATOM 673 C GLU A 46 5.823 8.908 6.363 1.00 0.00 C ATOM 674 O GLU A 46 6.358 8.453 7.374 1.00 0.00 O ATOM 675 CB GLU A 46 6.726 9.176 4.042 1.00 0.00 C ATOM 676 CG GLU A 46 8.105 9.612 4.536 1.00 0.00 C ATOM 677 CD GLU A 46 8.767 10.646 3.636 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.479 11.852 3.794 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.590 10.259 2.775 1.00 0.00 O ATOM 0 H GLU A 46 4.505 8.230 3.518 1.00 0.00 H new ATOM 0 HA GLU A 46 6.577 7.320 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.836 8.683 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.112 10.062 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.010 10.023 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.751 8.737 4.609 1.00 0.00 H new ATOM 686 N GLU A 47 5.033 9.975 6.379 1.00 0.00 N ATOM 687 CA GLU A 47 4.791 10.747 7.593 1.00 0.00 C ATOM 688 C GLU A 47 3.988 9.929 8.606 1.00 0.00 C ATOM 689 O GLU A 47 4.111 10.131 9.815 1.00 0.00 O ATOM 690 CB GLU A 47 4.069 12.063 7.259 1.00 0.00 C ATOM 691 CG GLU A 47 2.746 11.879 6.521 1.00 0.00 C ATOM 692 CD GLU A 47 2.103 13.201 6.133 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.421 13.726 5.043 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.284 13.724 6.918 1.00 0.00 O ATOM 0 H GLU A 47 4.544 10.328 5.556 1.00 0.00 H new ATOM 0 HA GLU A 47 5.754 10.989 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.883 12.608 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.728 12.682 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.915 11.284 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.058 11.316 7.152 1.00 0.00 H new ATOM 701 N ALA A 48 3.161 9.013 8.093 1.00 0.00 N ATOM 702 CA ALA A 48 2.250 8.224 8.921 1.00 0.00 C ATOM 703 C ALA A 48 2.972 7.481 10.049 1.00 0.00 C ATOM 704 O ALA A 48 2.540 7.537 11.204 1.00 0.00 O ATOM 705 CB ALA A 48 1.471 7.240 8.054 1.00 0.00 C ATOM 0 H ALA A 48 3.106 8.800 7.097 1.00 0.00 H new ATOM 0 HA ALA A 48 1.559 8.923 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.796 6.658 8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.893 7.789 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.167 6.569 7.550 1.00 0.00 H new ATOM 711 N PHE A 49 4.060 6.767 9.733 1.00 0.00 N ATOM 712 CA PHE A 49 4.777 6.014 10.773 1.00 0.00 C ATOM 713 C PHE A 49 6.282 6.301 10.810 1.00 0.00 C ATOM 714 O PHE A 49 6.878 6.275 11.891 1.00 0.00 O ATOM 715 CB PHE A 49 4.514 4.500 10.648 1.00 0.00 C ATOM 716 CG PHE A 49 4.951 3.873 9.344 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.246 3.393 9.185 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.061 3.745 8.285 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.642 2.805 7.999 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.455 3.154 7.101 1.00 0.00 C ATOM 721 CZ PHE A 49 5.745 2.685 6.957 1.00 0.00 C ATOM 0 H PHE A 49 4.455 6.694 8.795 1.00 0.00 H new ATOM 0 HA PHE A 49 4.374 6.365 11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.024 3.991 11.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.447 4.322 10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.951 3.481 9.998 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.050 4.112 8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.652 2.440 7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.753 3.059 6.286 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.052 2.224 6.030 1.00 0.00 H new ATOM 731 N ASP A 50 6.904 6.583 9.657 1.00 0.00 N ATOM 732 CA ASP A 50 8.358 6.810 9.625 1.00 0.00 C ATOM 733 C ASP A 50 8.860 7.129 8.212 1.00 0.00 C ATOM 734 O ASP A 50 9.244 8.265 7.925 1.00 0.00 O ATOM 735 CB ASP A 50 9.109 5.583 10.178 1.00 0.00 C ATOM 736 CG ASP A 50 10.557 5.888 10.531 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.789 6.629 11.512 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.465 5.372 9.861 1.00 0.00 O ATOM 0 H ASP A 50 6.438 6.659 8.753 1.00 0.00 H new ATOM 0 HA ASP A 50 8.560 7.676 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.593 5.216 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.081 4.782 9.439 1.00 0.00 H new ATOM 743 N ILE A 51 8.848 6.126 7.333 1.00 0.00 N ATOM 744 CA ILE A 51 9.380 6.271 5.969 1.00 0.00 C ATOM 745 C ILE A 51 8.432 5.661 4.945 1.00 0.00 C ATOM 746 O ILE A 51 7.465 4.984 5.303 1.00 0.00 O ATOM 747 CB ILE A 51 10.787 5.611 5.785 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.725 4.063 5.839 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.784 6.149 6.809 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.201 3.472 7.137 1.00 0.00 C ATOM 0 H ILE A 51 8.475 5.199 7.539 1.00 0.00 H new ATOM 0 HA ILE A 51 9.479 7.345 5.809 1.00 0.00 H new ATOM 0 HB ILE A 51 11.134 5.883 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.095 3.714 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.726 3.671 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.753 5.673 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.886 7.227 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.426 5.931 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.200 2.384 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.842 3.782 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.185 3.825 7.314 1.00 0.00 H new ATOM 762 N GLU A 52 8.715 5.913 3.668 1.00 0.00 N ATOM 763 CA GLU A 52 7.977 5.295 2.572 1.00 0.00 C ATOM 764 C GLU A 52 8.824 4.219 1.901 1.00 0.00 C ATOM 765 O GLU A 52 10.028 4.108 2.155 1.00 0.00 O ATOM 766 CB GLU A 52 7.472 6.346 1.560 1.00 0.00 C ATOM 767 CG GLU A 52 8.437 7.490 1.252 1.00 0.00 C ATOM 768 CD GLU A 52 9.641 7.082 0.419 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.505 6.970 -0.818 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.740 6.919 0.989 1.00 0.00 O ATOM 0 H GLU A 52 9.456 6.546 3.367 1.00 0.00 H new ATOM 0 HA GLU A 52 7.091 4.814 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.231 5.838 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.543 6.772 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.895 8.276 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.787 7.918 2.191 1.00 0.00 H new ATOM 777 N PHE A 53 8.183 3.419 1.061 1.00 0.00 N ATOM 778 CA PHE A 53 8.808 2.243 0.476 1.00 0.00 C ATOM 779 C PHE A 53 9.957 2.625 -0.462 1.00 0.00 C ATOM 780 O PHE A 53 9.812 3.520 -1.298 1.00 0.00 O ATOM 781 CB PHE A 53 7.754 1.420 -0.267 1.00 0.00 C ATOM 782 CG PHE A 53 6.556 1.087 0.587 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.696 0.329 1.741 1.00 0.00 C ATOM 784 CD2 PHE A 53 5.292 1.539 0.238 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.601 0.031 2.530 1.00 0.00 C ATOM 786 CE2 PHE A 53 4.193 1.242 1.023 1.00 0.00 C ATOM 787 CZ PHE A 53 4.348 0.488 2.170 1.00 0.00 C ATOM 0 H PHE A 53 7.218 3.567 0.767 1.00 0.00 H new ATOM 0 HA PHE A 53 9.234 1.642 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.424 1.972 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.208 0.495 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.673 -0.033 2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.165 2.130 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.725 -0.558 3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.214 1.599 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.491 0.256 2.785 1.00 0.00 H new ATOM 797 N PRO A 54 11.115 1.947 -0.325 1.00 0.00 N ATOM 798 CA PRO A 54 12.309 2.229 -1.131 1.00 0.00 C ATOM 799 C PRO A 54 12.204 1.642 -2.542 1.00 0.00 C ATOM 800 O PRO A 54 11.502 0.647 -2.765 1.00 0.00 O ATOM 801 CB PRO A 54 13.418 1.547 -0.324 1.00 0.00 C ATOM 802 CG PRO A 54 12.741 0.368 0.279 1.00 0.00 C ATOM 803 CD PRO A 54 11.353 0.842 0.629 1.00 0.00 C ATOM 0 HA PRO A 54 12.474 3.294 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.251 1.248 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.823 2.210 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.707 -0.467 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.273 0.019 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.616 0.047 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.294 1.184 1.662 1.00 0.00 H new ATOM 811 N ASP A 55 12.933 2.245 -3.482 1.00 0.00 N ATOM 812 CA ASP A 55 12.819 1.918 -4.907 1.00 0.00 C ATOM 813 C ASP A 55 13.087 0.440 -5.184 1.00 0.00 C ATOM 814 O ASP A 55 12.461 -0.152 -6.065 1.00 0.00 O ATOM 815 CB ASP A 55 13.777 2.787 -5.731 1.00 0.00 C ATOM 816 CG ASP A 55 13.609 2.586 -7.231 1.00 0.00 C ATOM 817 OD1 ASP A 55 12.774 3.288 -7.840 1.00 0.00 O ATOM 818 OD2 ASP A 55 14.317 1.739 -7.814 1.00 0.00 O ATOM 0 H ASP A 55 13.618 2.973 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 55 11.791 2.126 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.609 3.836 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.804 2.555 -5.450 1.00 0.00 H new ATOM 823 N ASN A 56 13.994 -0.156 -4.412 1.00 0.00 N ATOM 824 CA ASN A 56 14.401 -1.552 -4.617 1.00 0.00 C ATOM 825 C ASN A 56 13.219 -2.524 -4.553 1.00 0.00 C ATOM 826 O ASN A 56 13.329 -3.659 -5.017 1.00 0.00 O ATOM 827 CB ASN A 56 15.482 -1.971 -3.600 1.00 0.00 C ATOM 828 CG ASN A 56 16.899 -1.771 -4.123 1.00 0.00 C ATOM 829 OD1 ASN A 56 17.473 -2.666 -4.746 1.00 0.00 O ATOM 830 ND2 ASN A 56 17.475 -0.609 -3.871 1.00 0.00 N ATOM 0 H ASN A 56 14.465 0.306 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 56 14.817 -1.605 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.354 -1.395 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.341 -3.020 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.425 -0.430 -4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.969 0.109 -3.352 1.00 0.00 H new ATOM 837 N LEU A 57 12.099 -2.100 -3.969 1.00 0.00 N ATOM 838 CA LEU A 57 10.915 -2.959 -3.905 1.00 0.00 C ATOM 839 C LEU A 57 9.712 -2.313 -4.593 1.00 0.00 C ATOM 840 O LEU A 57 8.628 -2.896 -4.631 1.00 0.00 O ATOM 841 CB LEU A 57 10.595 -3.336 -2.444 1.00 0.00 C ATOM 842 CG LEU A 57 10.313 -2.170 -1.471 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.900 -1.621 -1.648 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.534 -2.610 -0.028 1.00 0.00 C ATOM 0 H LEU A 57 11.985 -1.182 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 57 11.138 -3.877 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.727 -3.995 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.432 -3.912 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 57 11.014 -1.369 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.737 -0.802 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.777 -1.256 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.175 -2.412 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.330 -1.775 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.863 -3.436 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.567 -2.934 0.099 1.00 0.00 H new ATOM 856 N LEU A 58 9.900 -1.115 -5.142 1.00 0.00 N ATOM 857 CA LEU A 58 8.818 -0.427 -5.847 1.00 0.00 C ATOM 858 C LEU A 58 8.600 -1.060 -7.217 1.00 0.00 C ATOM 859 O LEU A 58 9.514 -1.672 -7.772 1.00 0.00 O ATOM 860 CB LEU A 58 9.116 1.072 -6.012 1.00 0.00 C ATOM 861 CG LEU A 58 9.305 1.864 -4.709 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.526 3.348 -5.001 1.00 0.00 C ATOM 863 CD2 LEU A 58 8.116 1.673 -3.778 1.00 0.00 C ATOM 0 H LEU A 58 10.782 -0.603 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 58 7.914 -0.530 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.018 1.180 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.300 1.525 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 58 10.193 1.478 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.657 3.888 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.417 3.469 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.661 3.747 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.275 2.244 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.208 2.022 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.012 0.616 -3.533 1.00 0.00 H new ATOM 875 N ASN A 59 7.385 -0.910 -7.752 1.00 0.00 N ATOM 876 CA ASN A 59 7.028 -1.457 -9.069 1.00 0.00 C ATOM 877 C ASN A 59 7.078 -2.987 -9.060 1.00 0.00 C ATOM 878 O ASN A 59 7.026 -3.623 -10.112 1.00 0.00 O ATOM 879 CB ASN A 59 7.972 -0.922 -10.168 1.00 0.00 C ATOM 880 CG ASN A 59 7.989 0.595 -10.269 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.201 1.191 -11.006 1.00 0.00 O ATOM 882 ND2 ASN A 59 8.903 1.229 -9.545 1.00 0.00 N ATOM 0 H ASN A 59 6.625 -0.410 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 59 6.010 -1.134 -9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.984 -1.276 -9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.670 -1.339 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.971 2.246 -9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.537 0.699 -8.947 1.00 0.00 H new ATOM 889 N ARG A 60 7.159 -3.572 -7.868 1.00 0.00 N ATOM 890 CA ARG A 60 7.356 -5.013 -7.722 1.00 0.00 C ATOM 891 C ARG A 60 6.126 -5.660 -7.071 1.00 0.00 C ATOM 892 O ARG A 60 5.202 -4.961 -6.640 1.00 0.00 O ATOM 893 CB ARG A 60 8.635 -5.265 -6.897 1.00 0.00 C ATOM 894 CG ARG A 60 9.168 -6.696 -6.958 1.00 0.00 C ATOM 895 CD ARG A 60 10.553 -6.808 -6.326 1.00 0.00 C ATOM 896 NE ARG A 60 11.074 -8.177 -6.376 1.00 0.00 N ATOM 897 CZ ARG A 60 12.331 -8.497 -6.696 1.00 0.00 C ATOM 898 NH1 ARG A 60 13.193 -7.557 -7.070 1.00 0.00 N ATOM 899 NH2 ARG A 60 12.715 -9.768 -6.666 1.00 0.00 N ATOM 0 H ARG A 60 7.091 -3.068 -6.984 1.00 0.00 H new ATOM 0 HA ARG A 60 7.478 -5.471 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.414 -4.587 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.434 -5.011 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.478 -7.364 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.214 -7.024 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.242 -6.140 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.505 -6.477 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 60 10.433 -8.938 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.897 -6.582 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.151 -7.811 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.051 -10.495 -6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.674 -10.017 -6.910 1.00 0.00 H new ATOM 913 N LYS A 61 6.127 -6.993 -7.007 1.00 0.00 N ATOM 914 CA LYS A 61 5.012 -7.778 -6.458 1.00 0.00 C ATOM 915 C LYS A 61 4.656 -7.383 -5.020 1.00 0.00 C ATOM 916 O LYS A 61 3.649 -7.847 -4.478 1.00 0.00 O ATOM 917 CB LYS A 61 5.348 -9.275 -6.518 1.00 0.00 C ATOM 918 CG LYS A 61 6.597 -9.659 -5.726 1.00 0.00 C ATOM 919 CD LYS A 61 6.909 -11.151 -5.835 1.00 0.00 C ATOM 920 CE LYS A 61 5.815 -12.017 -5.215 1.00 0.00 C ATOM 921 NZ LYS A 61 6.124 -13.466 -5.333 1.00 0.00 N ATOM 0 H LYS A 61 6.905 -7.565 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 61 4.139 -7.563 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.499 -9.844 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.486 -9.565 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.448 -9.083 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.457 -9.394 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.031 -11.419 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.858 -11.359 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.697 -11.755 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.864 -11.807 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.358 -14.021 -4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.212 -13.722 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.019 -13.671 -4.844 1.00 0.00 H new ATOM 935 N SER A 62 5.485 -6.547 -4.404 1.00 0.00 N ATOM 936 CA SER A 62 5.240 -6.057 -3.055 1.00 0.00 C ATOM 937 C SER A 62 3.842 -5.433 -2.943 1.00 0.00 C ATOM 938 O SER A 62 3.035 -5.837 -2.104 1.00 0.00 O ATOM 939 CB SER A 62 6.312 -5.026 -2.691 1.00 0.00 C ATOM 940 OG SER A 62 6.386 -4.016 -3.682 1.00 0.00 O ATOM 0 H SER A 62 6.343 -6.192 -4.826 1.00 0.00 H new ATOM 0 HA SER A 62 5.288 -6.896 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.081 -4.579 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.280 -5.518 -2.592 1.00 0.00 H new ATOM 0 HG SER A 62 7.324 -3.785 -3.844 1.00 0.00 H new ATOM 946 N PHE A 63 3.563 -4.462 -3.813 1.00 0.00 N ATOM 947 CA PHE A 63 2.268 -3.772 -3.824 1.00 0.00 C ATOM 948 C PHE A 63 1.150 -4.699 -4.291 1.00 0.00 C ATOM 949 O PHE A 63 -0.026 -4.445 -4.036 1.00 0.00 O ATOM 950 CB PHE A 63 2.325 -2.530 -4.724 1.00 0.00 C ATOM 951 CG PHE A 63 3.214 -1.436 -4.190 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.566 -1.409 -4.500 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.697 -0.437 -3.375 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.381 -0.408 -4.010 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.510 0.566 -2.884 1.00 0.00 C ATOM 956 CZ PHE A 63 4.854 0.579 -3.202 1.00 0.00 C ATOM 0 H PHE A 63 4.218 -4.133 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 63 2.052 -3.462 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.679 -2.824 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.316 -2.137 -4.851 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.985 -2.179 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.647 -0.445 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.432 -0.397 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.096 1.338 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.492 1.361 -2.819 1.00 0.00 H new ATOM 966 N ALA A 64 1.528 -5.775 -4.970 1.00 0.00 N ATOM 967 CA ALA A 64 0.564 -6.742 -5.483 1.00 0.00 C ATOM 968 C ALA A 64 -0.071 -7.535 -4.341 1.00 0.00 C ATOM 969 O ALA A 64 -1.130 -8.146 -4.501 1.00 0.00 O ATOM 970 CB ALA A 64 1.242 -7.675 -6.479 1.00 0.00 C ATOM 0 H ALA A 64 2.500 -6.001 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.232 -6.202 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.515 -8.394 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.642 -7.093 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.055 -8.207 -5.984 1.00 0.00 H new ATOM 976 N SER A 65 0.586 -7.524 -3.185 1.00 0.00 N ATOM 977 CA SER A 65 0.101 -8.231 -2.008 1.00 0.00 C ATOM 978 C SER A 65 0.540 -7.498 -0.739 1.00 0.00 C ATOM 979 O SER A 65 1.710 -7.553 -0.358 1.00 0.00 O ATOM 980 CB SER A 65 0.626 -9.672 -2.008 1.00 0.00 C ATOM 981 OG SER A 65 0.231 -10.366 -3.186 1.00 0.00 O ATOM 0 H SER A 65 1.465 -7.027 -3.040 1.00 0.00 H new ATOM 0 HA SER A 65 -0.988 -8.259 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.714 -9.665 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.251 -10.198 -1.130 1.00 0.00 H new ATOM 0 HG SER A 65 0.581 -11.281 -3.159 1.00 0.00 H new ATOM 987 N ILE A 66 -0.403 -6.816 -0.089 1.00 0.00 N ATOM 988 CA ILE A 66 -0.102 -5.994 1.086 1.00 0.00 C ATOM 989 C ILE A 66 0.632 -6.796 2.164 1.00 0.00 C ATOM 990 O ILE A 66 1.608 -6.318 2.742 1.00 0.00 O ATOM 991 CB ILE A 66 -1.390 -5.372 1.687 1.00 0.00 C ATOM 992 CG1 ILE A 66 -2.114 -4.519 0.630 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.065 -4.539 2.929 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.418 -3.914 1.111 1.00 0.00 C ATOM 0 H ILE A 66 -1.387 -6.816 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 66 0.551 -5.191 0.746 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.054 -6.181 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.450 -3.716 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.314 -5.137 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.984 -4.113 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.599 -5.175 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.381 -3.735 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.865 -3.328 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.102 -4.710 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.225 -3.268 1.967 1.00 0.00 H new ATOM 1006 N LYS A 67 0.174 -8.021 2.420 1.00 0.00 N ATOM 1007 CA LYS A 67 0.806 -8.880 3.427 1.00 0.00 C ATOM 1008 C LYS A 67 2.279 -9.145 3.096 1.00 0.00 C ATOM 1009 O LYS A 67 3.090 -9.393 3.989 1.00 0.00 O ATOM 1010 CB LYS A 67 0.058 -10.215 3.604 1.00 0.00 C ATOM 1011 CG LYS A 67 0.007 -11.109 2.363 1.00 0.00 C ATOM 1012 CD LYS A 67 -1.174 -10.774 1.460 1.00 0.00 C ATOM 1013 CE LYS A 67 -1.330 -11.786 0.331 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.539 -13.168 0.843 1.00 0.00 N ATOM 0 H LYS A 67 -0.627 -8.441 1.949 1.00 0.00 H new ATOM 0 HA LYS A 67 0.753 -8.336 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.531 -10.772 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.963 -10.001 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.934 -11.000 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.058 -12.152 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.088 -10.747 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.038 -9.778 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.174 -11.501 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.442 -11.764 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.226 -13.662 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.635 -13.682 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.902 -13.126 1.817 1.00 0.00 H new ATOM 1028 N ALA A 68 2.619 -9.100 1.812 1.00 0.00 N ATOM 1029 CA ALA A 68 3.993 -9.322 1.380 1.00 0.00 C ATOM 1030 C ALA A 68 4.850 -8.088 1.658 1.00 0.00 C ATOM 1031 O ALA A 68 5.955 -8.191 2.198 1.00 0.00 O ATOM 1032 CB ALA A 68 4.034 -9.681 -0.102 1.00 0.00 C ATOM 0 H ALA A 68 1.963 -8.912 1.054 1.00 0.00 H new ATOM 0 HA ALA A 68 4.402 -10.157 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.067 -9.844 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.458 -10.590 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.606 -8.866 -0.686 1.00 0.00 H new ATOM 1038 N ILE A 69 4.328 -6.917 1.298 1.00 0.00 N ATOM 1039 CA ILE A 69 5.076 -5.670 1.443 1.00 0.00 C ATOM 1040 C ILE A 69 5.183 -5.245 2.912 1.00 0.00 C ATOM 1041 O ILE A 69 6.194 -4.669 3.324 1.00 0.00 O ATOM 1042 CB ILE A 69 4.455 -4.526 0.595 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.386 -3.300 0.565 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.072 -4.138 1.118 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.920 -2.202 -0.373 1.00 0.00 C ATOM 0 H ILE A 69 3.393 -6.806 0.905 1.00 0.00 H new ATOM 0 HA ILE A 69 6.082 -5.862 1.069 1.00 0.00 H new ATOM 0 HB ILE A 69 4.338 -4.894 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.469 -2.893 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.384 -3.620 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.663 -3.335 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.410 -5.003 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.155 -3.799 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.626 -1.372 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.864 -2.591 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.935 -1.853 -0.064 1.00 0.00 H new ATOM 1057 N GLU A 70 4.152 -5.548 3.709 1.00 0.00 N ATOM 1058 CA GLU A 70 4.147 -5.175 5.127 1.00 0.00 C ATOM 1059 C GLU A 70 5.257 -5.915 5.866 1.00 0.00 C ATOM 1060 O GLU A 70 5.820 -5.410 6.835 1.00 0.00 O ATOM 1061 CB GLU A 70 2.769 -5.441 5.770 1.00 0.00 C ATOM 1062 CG GLU A 70 2.384 -6.915 5.927 1.00 0.00 C ATOM 1063 CD GLU A 70 2.814 -7.523 7.261 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.238 -7.146 8.303 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.705 -8.398 7.278 1.00 0.00 O ATOM 0 H GLU A 70 3.317 -6.046 3.399 1.00 0.00 H new ATOM 0 HA GLU A 70 4.336 -4.104 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.751 -4.973 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.006 -4.947 5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.303 -7.012 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.833 -7.487 5.115 1.00 0.00 H new ATOM 1072 N ASP A 71 5.574 -7.110 5.386 1.00 0.00 N ATOM 1073 CA ASP A 71 6.670 -7.897 5.935 1.00 0.00 C ATOM 1074 C ASP A 71 8.007 -7.243 5.593 1.00 0.00 C ATOM 1075 O ASP A 71 8.933 -7.221 6.406 1.00 0.00 O ATOM 1076 CB ASP A 71 6.614 -9.327 5.381 1.00 0.00 C ATOM 1077 CG ASP A 71 7.761 -10.198 5.867 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.733 -10.634 7.041 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.692 -10.467 5.075 1.00 0.00 O ATOM 0 H ASP A 71 5.084 -7.558 4.612 1.00 0.00 H new ATOM 0 HA ASP A 71 6.572 -7.938 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.669 -9.786 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.630 -9.290 4.292 1.00 0.00 H new ATOM 1084 N THR A 72 8.085 -6.687 4.389 1.00 0.00 N ATOM 1085 CA THR A 72 9.310 -6.065 3.900 1.00 0.00 C ATOM 1086 C THR A 72 9.546 -4.689 4.538 1.00 0.00 C ATOM 1087 O THR A 72 10.685 -4.276 4.732 1.00 0.00 O ATOM 1088 CB THR A 72 9.287 -5.934 2.363 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.922 -7.195 1.783 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.651 -5.511 1.825 1.00 0.00 C ATOM 0 H THR A 72 7.308 -6.655 3.729 1.00 0.00 H new ATOM 0 HA THR A 72 10.134 -6.717 4.188 1.00 0.00 H new ATOM 0 HB THR A 72 8.558 -5.169 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.970 -7.366 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.604 -5.427 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.927 -4.547 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.397 -6.257 2.099 1.00 0.00 H new ATOM 1098 N VAL A 73 8.475 -3.970 4.862 1.00 0.00 N ATOM 1099 CA VAL A 73 8.622 -2.656 5.488 1.00 0.00 C ATOM 1100 C VAL A 73 9.147 -2.802 6.919 1.00 0.00 C ATOM 1101 O VAL A 73 9.844 -1.928 7.429 1.00 0.00 O ATOM 1102 CB VAL A 73 7.299 -1.838 5.478 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.233 -2.490 6.351 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.550 -0.392 5.909 1.00 0.00 C ATOM 0 H VAL A 73 7.512 -4.266 4.706 1.00 0.00 H new ATOM 0 HA VAL A 73 9.346 -2.099 4.893 1.00 0.00 H new ATOM 0 HB VAL A 73 6.924 -1.828 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.322 -1.892 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.021 -3.493 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.592 -2.552 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.610 0.160 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.963 -0.379 6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.256 0.075 5.222 1.00 0.00 H new ATOM 1114 N LYS A 74 8.826 -3.928 7.550 1.00 0.00 N ATOM 1115 CA LYS A 74 9.267 -4.208 8.917 1.00 0.00 C ATOM 1116 C LYS A 74 10.792 -4.231 9.017 1.00 0.00 C ATOM 1117 O LYS A 74 11.372 -3.604 9.909 1.00 0.00 O ATOM 1118 CB LYS A 74 8.676 -5.538 9.399 1.00 0.00 C ATOM 1119 CG LYS A 74 7.165 -5.489 9.587 1.00 0.00 C ATOM 1120 CD LYS A 74 6.560 -6.874 9.784 1.00 0.00 C ATOM 1121 CE LYS A 74 5.048 -6.791 9.953 1.00 0.00 C ATOM 1122 NZ LYS A 74 4.406 -8.132 9.949 1.00 0.00 N ATOM 0 H LYS A 74 8.258 -4.667 7.135 1.00 0.00 H new ATOM 0 HA LYS A 74 8.906 -3.406 9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.921 -6.319 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.145 -5.816 10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.929 -4.866 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.708 -5.016 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.800 -7.504 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.002 -7.346 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.817 -6.282 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.627 -6.187 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.467 -8.069 10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.304 -8.465 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.997 -8.801 10.483 1.00 0.00 H new ATOM 1136 N LEU A 75 11.444 -4.941 8.096 1.00 0.00 N ATOM 1137 CA LEU A 75 12.906 -5.017 8.093 1.00 0.00 C ATOM 1138 C LEU A 75 13.518 -3.625 7.907 1.00 0.00 C ATOM 1139 O LEU A 75 14.628 -3.361 8.372 1.00 0.00 O ATOM 1140 CB LEU A 75 13.429 -6.031 7.048 1.00 0.00 C ATOM 1141 CG LEU A 75 13.008 -5.810 5.579 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.822 -4.701 4.910 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.120 -7.110 4.784 1.00 0.00 C ATOM 0 H LEU A 75 10.989 -5.467 7.350 1.00 0.00 H new ATOM 0 HA LEU A 75 13.226 -5.391 9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.518 -6.029 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.099 -7.026 7.348 1.00 0.00 H new ATOM 0 HG LEU A 75 11.966 -5.491 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.492 -4.580 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.675 -3.766 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.879 -4.966 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.819 -6.932 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.151 -7.462 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.470 -7.864 5.227 1.00 0.00 H new ATOM 1155 N ILE A 76 12.795 -2.738 7.219 1.00 0.00 N ATOM 1156 CA ILE A 76 13.224 -1.347 7.080 1.00 0.00 C ATOM 1157 C ILE A 76 13.280 -0.686 8.457 1.00 0.00 C ATOM 1158 O ILE A 76 14.290 -0.101 8.834 1.00 0.00 O ATOM 1159 CB ILE A 76 12.279 -0.527 6.166 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.163 -1.172 4.776 1.00 0.00 C ATOM 1161 CG2 ILE A 76 12.765 0.919 6.047 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.205 -0.451 3.849 1.00 0.00 C ATOM 0 H ILE A 76 11.915 -2.958 6.752 1.00 0.00 H new ATOM 0 HA ILE A 76 14.211 -1.359 6.618 1.00 0.00 H new ATOM 0 HB ILE A 76 11.289 -0.522 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.150 -1.200 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.836 -2.205 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.088 1.478 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.786 1.378 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.768 0.932 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.175 -0.963 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.208 -0.446 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.543 0.575 3.703 1.00 0.00 H new ATOM 1174 N LEU A 77 12.190 -0.812 9.211 1.00 0.00 N ATOM 1175 CA LEU A 77 12.110 -0.257 10.567 1.00 0.00 C ATOM 1176 C LEU A 77 13.233 -0.799 11.454 1.00 0.00 C ATOM 1177 O LEU A 77 13.642 -0.152 12.422 1.00 0.00 O ATOM 1178 CB LEU A 77 10.734 -0.537 11.200 1.00 0.00 C ATOM 1179 CG LEU A 77 9.606 0.439 10.804 1.00 0.00 C ATOM 1180 CD1 LEU A 77 9.933 1.859 11.260 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.350 0.409 9.299 1.00 0.00 C ATOM 0 H LEU A 77 11.345 -1.295 8.907 1.00 0.00 H new ATOM 0 HA LEU A 77 12.234 0.823 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.428 -1.547 10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.842 -0.518 12.284 1.00 0.00 H new ATOM 0 HG LEU A 77 8.696 0.114 11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.124 2.530 10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.047 1.876 12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.861 2.187 10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.550 1.107 9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.259 0.696 8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.058 -0.598 9.000 1.00 0.00 H new ATOM 1193 N ASP A 78 13.712 -1.999 11.130 1.00 0.00 N ATOM 1194 CA ASP A 78 14.795 -2.637 11.884 1.00 0.00 C ATOM 1195 C ASP A 78 16.120 -1.892 11.714 1.00 0.00 C ATOM 1196 O ASP A 78 17.020 -2.021 12.547 1.00 0.00 O ATOM 1197 CB ASP A 78 14.952 -4.103 11.448 1.00 0.00 C ATOM 1198 CG ASP A 78 16.083 -4.824 12.171 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.860 -5.309 13.303 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.196 -4.922 11.607 1.00 0.00 O ATOM 0 H ASP A 78 13.366 -2.553 10.347 1.00 0.00 H new ATOM 0 HA ASP A 78 14.528 -2.601 12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.017 -4.632 11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.134 -4.139 10.374 1.00 0.00 H new ATOM 1205 N GLY A 79 16.238 -1.115 10.643 1.00 0.00 N ATOM 1206 CA GLY A 79 17.451 -0.348 10.402 1.00 0.00 C ATOM 1207 C GLY A 79 17.294 0.616 9.242 1.00 0.00 C ATOM 1208 O GLY A 79 18.057 0.559 8.279 1.00 0.00 O ATOM 0 H GLY A 79 15.514 -1.001 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.713 0.208 11.302 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.276 -1.030 10.197 1.00 0.00 H new ATOM 1212 N LYS A 80 16.304 1.508 9.354 1.00 0.00 N ATOM 1213 CA LYS A 80 15.945 2.441 8.272 1.00 0.00 C ATOM 1214 C LYS A 80 17.177 3.094 7.651 1.00 0.00 C ATOM 1215 O LYS A 80 17.529 2.831 6.500 1.00 0.00 O ATOM 1216 CB LYS A 80 14.997 3.552 8.768 1.00 0.00 C ATOM 1217 CG LYS A 80 13.679 3.056 9.363 1.00 0.00 C ATOM 1218 CD LYS A 80 13.743 2.902 10.882 1.00 0.00 C ATOM 1219 CE LYS A 80 14.009 4.235 11.579 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.933 4.114 13.057 1.00 0.00 N ATOM 0 H LYS A 80 15.730 1.606 10.191 1.00 0.00 H new ATOM 0 HA LYS A 80 15.437 1.842 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.518 4.145 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.775 4.218 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.882 3.754 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.420 2.097 8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.804 2.484 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.529 2.193 11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.995 4.602 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.284 4.974 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.120 5.040 13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.984 3.788 13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.642 3.428 13.386 1.00 0.00 H new ATOM 1234 N GLU A 81 17.828 3.946 8.431 1.00 0.00 N ATOM 1235 CA GLU A 81 19.001 4.685 7.972 1.00 0.00 C ATOM 1236 C GLU A 81 20.287 4.046 8.491 1.00 0.00 C ATOM 1237 O GLU A 81 21.382 4.366 8.025 1.00 0.00 O ATOM 1238 CB GLU A 81 18.904 6.166 8.398 1.00 0.00 C ATOM 1239 CG GLU A 81 18.086 6.416 9.669 1.00 0.00 C ATOM 1240 CD GLU A 81 18.629 5.700 10.897 1.00 0.00 C ATOM 1241 OE1 GLU A 81 19.507 6.266 11.579 1.00 0.00 O ATOM 1242 OE2 GLU A 81 18.166 4.577 11.193 1.00 0.00 O ATOM 0 H GLU A 81 17.561 4.145 9.395 1.00 0.00 H new ATOM 0 HA GLU A 81 19.029 4.644 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 19.912 6.553 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.463 6.737 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.057 7.487 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.058 6.096 9.498 1.00 0.00 H new ATOM 1249 N ALA A 82 20.144 3.138 9.451 1.00 0.00 N ATOM 1250 CA ALA A 82 21.287 2.437 10.027 1.00 0.00 C ATOM 1251 C ALA A 82 21.916 1.486 9.010 1.00 0.00 C ATOM 1252 O ALA A 82 23.143 1.383 8.917 1.00 0.00 O ATOM 1253 CB ALA A 82 20.868 1.679 11.282 1.00 0.00 C ATOM 0 H ALA A 82 19.244 2.869 9.848 1.00 0.00 H new ATOM 0 HA ALA A 82 22.037 3.179 10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.732 1.161 11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.475 2.381 12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.097 0.952 11.027 1.00 0.00 H new ATOM 1259 N ALA A 83 21.067 0.807 8.243 1.00 0.00 N ATOM 1260 CA ALA A 83 21.520 -0.164 7.252 1.00 0.00 C ATOM 1261 C ALA A 83 21.869 0.536 5.937 1.00 0.00 C ATOM 1262 O ALA A 83 20.944 0.852 5.162 1.00 0.00 O ATOM 1263 CB ALA A 83 20.452 -1.235 7.034 1.00 0.00 C ATOM 1264 OXT ALA A 83 23.070 0.777 5.689 1.00 0.00 O ATOM 0 H ALA A 83 20.054 0.913 8.290 1.00 0.00 H new ATOM 0 HA ALA A 83 22.421 -0.651 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.803 -1.953 6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.257 -1.751 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.534 -0.766 6.680 1.00 0.00 H new TER 1270 ALA A 83