USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -52:sc= 0.213 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 0.00669 (180deg=-0.391) USER MOD Single : A 6 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.5) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0847 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 177:sc= -3.4! (180deg=-3.48!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.114 USER MOD Single : B 4 LYS NZ :NH3+ -157:sc= -0.137 (180deg=-0.85) USER MOD Single : B 6 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.24) USER MOD Single : B 14 MET CE :methyl 178:sc= 0 (180deg=-0.00925) USER MOD Single : B 15 SER OG : rot -82:sc= 0.0635 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 173:sc= -0.415 (180deg=-0.565) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.080 -0.796 -12.043 1.00 0.00 N ATOM 32 CA THR A 3 -1.275 -0.357 -12.330 1.00 0.00 C ATOM 33 C THR A 3 -2.142 -0.447 -11.073 1.00 0.00 C ATOM 34 O THR A 3 -1.816 -1.181 -10.141 1.00 0.00 O ATOM 35 CB THR A 3 -1.806 -1.193 -13.496 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.530 -2.537 -13.113 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.991 -0.996 -14.776 1.00 0.00 C ATOM 0 HA THR A 3 -1.297 0.692 -12.627 1.00 0.00 H new ATOM 0 HB THR A 3 -2.848 -0.933 -13.685 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.584 -2.620 -12.871 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.410 -1.612 -15.572 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.026 0.053 -15.072 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.044 -1.288 -14.597 1.00 0.00 H new ATOM 45 N LYS A 4 -3.230 0.308 -11.088 1.00 0.00 N ATOM 46 CA LYS A 4 -4.138 0.336 -9.954 1.00 0.00 C ATOM 47 C LYS A 4 -4.611 -1.087 -9.650 1.00 0.00 C ATOM 48 O LYS A 4 -4.629 -1.505 -8.493 1.00 0.00 O ATOM 49 CB LYS A 4 -5.280 1.322 -10.205 1.00 0.00 C ATOM 50 CG LYS A 4 -4.869 2.746 -9.824 1.00 0.00 C ATOM 51 CD LYS A 4 -5.054 3.704 -11.002 1.00 0.00 C ATOM 52 CE LYS A 4 -6.517 4.134 -11.134 1.00 0.00 C ATOM 53 NZ LYS A 4 -7.241 3.233 -12.058 1.00 0.00 N ATOM 0 H LYS A 4 -3.504 0.906 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.624 0.699 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.567 1.291 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.155 1.025 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.465 3.086 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.827 2.754 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.424 4.583 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.729 3.221 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.996 4.121 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.569 5.159 -11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.101 3.706 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.628 2.998 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.503 2.360 -11.557 1.00 0.00 H new ATOM 67 N ASP A 5 -4.981 -1.793 -10.708 1.00 0.00 N ATOM 68 CA ASP A 5 -5.483 -3.149 -10.566 1.00 0.00 C ATOM 69 C ASP A 5 -4.409 -4.019 -9.910 1.00 0.00 C ATOM 70 O ASP A 5 -4.705 -4.801 -9.008 1.00 0.00 O ATOM 71 CB ASP A 5 -5.818 -3.758 -11.929 1.00 0.00 C ATOM 72 CG ASP A 5 -7.213 -3.425 -12.461 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.089 -3.139 -11.616 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.373 -3.465 -13.700 1.00 0.00 O ATOM 0 H ASP A 5 -4.943 -1.451 -11.668 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.386 -3.113 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.078 -3.418 -12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.721 -4.841 -11.860 1.00 0.00 H new ATOM 79 N GLN A 6 -3.185 -3.854 -10.389 1.00 0.00 N ATOM 80 CA GLN A 6 -2.073 -4.643 -9.887 1.00 0.00 C ATOM 81 C GLN A 6 -1.940 -4.469 -8.372 1.00 0.00 C ATOM 82 O GLN A 6 -1.448 -5.360 -7.682 1.00 0.00 O ATOM 83 CB GLN A 6 -0.770 -4.268 -10.597 1.00 0.00 C ATOM 84 CG GLN A 6 -0.554 -5.137 -11.838 1.00 0.00 C ATOM 85 CD GLN A 6 -0.175 -6.567 -11.447 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.118 -6.868 -10.302 1.00 0.00 O ATOM 87 NE2 GLN A 6 -0.198 -7.428 -12.460 1.00 0.00 N ATOM 0 H GLN A 6 -2.939 -3.186 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.274 -5.693 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.797 -3.217 -10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.070 -4.389 -9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.462 -5.150 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.233 -4.705 -12.457 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.453 -7.109 -13.395 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.039 -8.407 -12.302 1.00 0.00 H new ATOM 96 N ILE A 7 -2.389 -3.315 -7.899 1.00 0.00 N ATOM 97 CA ILE A 7 -2.294 -2.999 -6.485 1.00 0.00 C ATOM 98 C ILE A 7 -3.395 -3.742 -5.725 1.00 0.00 C ATOM 99 O ILE A 7 -3.198 -4.150 -4.581 1.00 0.00 O ATOM 100 CB ILE A 7 -2.316 -1.484 -6.272 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.065 -0.829 -6.861 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.499 -1.140 -4.792 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.223 0.691 -6.932 1.00 0.00 C ATOM 0 H ILE A 7 -2.819 -2.588 -8.471 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.341 -3.341 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.175 -1.077 -6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.197 -1.080 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.878 -1.226 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.511 -0.057 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.441 -1.556 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.675 -1.561 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.320 1.131 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.077 0.939 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.385 1.087 -5.930 1.00 0.00 H new ATOM 115 N ILE A 8 -4.529 -3.896 -6.392 1.00 0.00 N ATOM 116 CA ILE A 8 -5.652 -4.607 -5.805 1.00 0.00 C ATOM 117 C ILE A 8 -5.204 -6.013 -5.400 1.00 0.00 C ATOM 118 O ILE A 8 -5.476 -6.459 -4.286 1.00 0.00 O ATOM 119 CB ILE A 8 -6.851 -4.593 -6.755 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.286 -3.160 -7.067 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.002 -5.434 -6.197 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.502 -3.147 -7.996 1.00 0.00 C ATOM 0 H ILE A 8 -4.694 -3.541 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.988 -4.105 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.547 -5.049 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.526 -2.639 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.462 -2.619 -7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.842 -5.407 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.670 -6.464 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.314 -5.030 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.791 -2.117 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.251 -3.648 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.331 -3.668 -7.517 1.00 0.00 H new ATOM 134 N GLU A 9 -4.525 -6.673 -6.327 1.00 0.00 N ATOM 135 CA GLU A 9 -4.064 -8.031 -6.093 1.00 0.00 C ATOM 136 C GLU A 9 -3.043 -8.056 -4.953 1.00 0.00 C ATOM 137 O GLU A 9 -2.753 -9.115 -4.398 1.00 0.00 O ATOM 138 CB GLU A 9 -3.477 -8.639 -7.368 1.00 0.00 C ATOM 139 CG GLU A 9 -4.581 -8.976 -8.373 1.00 0.00 C ATOM 140 CD GLU A 9 -3.993 -9.575 -9.653 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.032 -8.968 -10.173 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.518 -10.625 -10.081 1.00 0.00 O ATOM 0 H GLU A 9 -4.283 -6.292 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.920 -8.639 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.772 -7.940 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.917 -9.541 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.282 -9.681 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.145 -8.075 -8.615 1.00 0.00 H new ATOM 149 N ALA A 10 -2.526 -6.877 -4.639 1.00 0.00 N ATOM 150 CA ALA A 10 -1.548 -6.750 -3.573 1.00 0.00 C ATOM 151 C ALA A 10 -2.262 -6.809 -2.221 1.00 0.00 C ATOM 152 O ALA A 10 -1.809 -7.492 -1.304 1.00 0.00 O ATOM 153 CB ALA A 10 -0.756 -5.454 -3.758 1.00 0.00 C ATOM 0 H ALA A 10 -2.766 -6.002 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.836 -7.575 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.022 -5.359 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.244 -5.475 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.437 -4.604 -3.728 1.00 0.00 H new ATOM 159 N VAL A 11 -3.367 -6.082 -2.140 1.00 0.00 N ATOM 160 CA VAL A 11 -4.150 -6.046 -0.916 1.00 0.00 C ATOM 161 C VAL A 11 -4.721 -7.438 -0.639 1.00 0.00 C ATOM 162 O VAL A 11 -4.962 -7.796 0.513 1.00 0.00 O ATOM 163 CB VAL A 11 -5.230 -4.967 -1.019 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.257 -5.110 0.107 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.610 -3.568 -1.020 1.00 0.00 C ATOM 0 H VAL A 11 -3.738 -5.514 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.520 -5.779 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.750 -5.104 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.013 -4.331 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.733 -6.088 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.757 -5.013 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.400 -2.820 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.052 -3.417 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.936 -3.469 -1.871 1.00 0.00 H new ATOM 175 N ALA A 12 -4.920 -8.186 -1.714 1.00 0.00 N ATOM 176 CA ALA A 12 -5.485 -9.520 -1.604 1.00 0.00 C ATOM 177 C ALA A 12 -4.374 -10.512 -1.251 1.00 0.00 C ATOM 178 O ALA A 12 -4.605 -11.720 -1.213 1.00 0.00 O ATOM 179 CB ALA A 12 -6.197 -9.883 -2.909 1.00 0.00 C ATOM 0 H ALA A 12 -4.700 -7.893 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.227 -9.558 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.621 -10.884 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.995 -9.166 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.483 -9.858 -3.732 1.00 0.00 H new ATOM 185 N ALA A 13 -3.193 -9.965 -1.002 1.00 0.00 N ATOM 186 CA ALA A 13 -2.046 -10.787 -0.657 1.00 0.00 C ATOM 187 C ALA A 13 -1.871 -10.800 0.862 1.00 0.00 C ATOM 188 O ALA A 13 -1.360 -11.767 1.424 1.00 0.00 O ATOM 189 CB ALA A 13 -0.805 -10.262 -1.383 1.00 0.00 C ATOM 0 H ALA A 13 -3.006 -8.963 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.201 -11.817 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.056 -10.879 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.969 -10.302 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.616 -9.231 -1.083 1.00 0.00 H new ATOM 195 N MET A 14 -2.304 -9.713 1.485 1.00 0.00 N ATOM 196 CA MET A 14 -2.168 -9.571 2.925 1.00 0.00 C ATOM 197 C MET A 14 -3.498 -9.843 3.631 1.00 0.00 C ATOM 198 O MET A 14 -4.534 -9.976 2.981 1.00 0.00 O ATOM 199 CB MET A 14 -1.695 -8.154 3.255 1.00 0.00 C ATOM 200 CG MET A 14 -0.402 -7.820 2.508 1.00 0.00 C ATOM 201 SD MET A 14 -0.704 -6.529 1.313 1.00 0.00 S ATOM 202 CE MET A 14 0.410 -5.275 1.923 1.00 0.00 C ATOM 0 H MET A 14 -2.749 -8.923 1.019 1.00 0.00 H new ATOM 0 HA MET A 14 -1.437 -10.299 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.470 -7.436 2.987 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.533 -8.062 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.364 -7.501 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.022 -8.710 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.347 -4.392 1.287 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.134 -5.008 2.943 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.430 -5.658 1.912 1.00 0.00 H new ATOM 212 N SER A 15 -3.426 -9.918 4.951 1.00 0.00 N ATOM 213 CA SER A 15 -4.604 -10.207 5.750 1.00 0.00 C ATOM 214 C SER A 15 -5.439 -8.937 5.929 1.00 0.00 C ATOM 215 O SER A 15 -4.969 -7.836 5.648 1.00 0.00 O ATOM 216 CB SER A 15 -4.218 -10.784 7.114 1.00 0.00 C ATOM 217 OG SER A 15 -2.906 -10.390 7.508 1.00 0.00 O ATOM 0 H SER A 15 -2.569 -9.784 5.488 1.00 0.00 H new ATOM 0 HA SER A 15 -5.198 -10.955 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.936 -10.453 7.864 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.274 -11.872 7.077 1.00 0.00 H new ATOM 0 HG SER A 15 -2.697 -10.777 8.384 1.00 0.00 H new ATOM 223 N VAL A 16 -6.664 -9.133 6.395 1.00 0.00 N ATOM 224 CA VAL A 16 -7.572 -8.019 6.605 1.00 0.00 C ATOM 225 C VAL A 16 -6.928 -7.015 7.563 1.00 0.00 C ATOM 226 O VAL A 16 -6.988 -5.808 7.335 1.00 0.00 O ATOM 227 CB VAL A 16 -8.926 -8.533 7.100 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.839 -7.373 7.501 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.595 -9.418 6.046 1.00 0.00 C ATOM 0 H VAL A 16 -7.049 -10.047 6.633 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.760 -7.498 5.666 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.749 -9.142 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.794 -7.766 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.369 -6.800 8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.005 -6.726 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.555 -9.770 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.752 -8.842 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.955 -10.273 5.829 1.00 0.00 H new ATOM 239 N MET A 17 -6.327 -7.551 8.615 1.00 0.00 N ATOM 240 CA MET A 17 -5.674 -6.717 9.610 1.00 0.00 C ATOM 241 C MET A 17 -4.631 -5.804 8.961 1.00 0.00 C ATOM 242 O MET A 17 -4.572 -4.613 9.261 1.00 0.00 O ATOM 243 CB MET A 17 -4.997 -7.605 10.656 1.00 0.00 C ATOM 244 CG MET A 17 -5.949 -7.913 11.813 1.00 0.00 C ATOM 245 SD MET A 17 -6.142 -9.678 11.991 1.00 0.00 S ATOM 246 CE MET A 17 -7.381 -9.726 13.276 1.00 0.00 C ATOM 0 H MET A 17 -6.278 -8.553 8.800 1.00 0.00 H new ATOM 0 HA MET A 17 -6.430 -6.092 10.086 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.670 -8.535 10.192 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.105 -7.108 11.037 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.561 -7.486 12.738 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.918 -7.449 11.630 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.621 -10.763 13.512 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.999 -9.230 14.168 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.280 -9.214 12.933 1.00 0.00 H new ATOM 256 N ASP A 18 -3.835 -6.398 8.085 1.00 0.00 N ATOM 257 CA ASP A 18 -2.796 -5.655 7.393 1.00 0.00 C ATOM 258 C ASP A 18 -3.426 -4.469 6.659 1.00 0.00 C ATOM 259 O ASP A 18 -2.813 -3.410 6.542 1.00 0.00 O ATOM 260 CB ASP A 18 -2.088 -6.530 6.358 1.00 0.00 C ATOM 261 CG ASP A 18 -0.878 -5.882 5.682 1.00 0.00 C ATOM 262 OD1 ASP A 18 -1.039 -4.738 5.205 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.181 -6.546 5.658 1.00 0.00 O ATOM 0 H ASP A 18 -3.889 -7.386 7.838 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.072 -5.318 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.764 -7.451 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.807 -6.811 5.589 1.00 0.00 H new ATOM 268 N VAL A 19 -4.643 -4.688 6.183 1.00 0.00 N ATOM 269 CA VAL A 19 -5.346 -3.666 5.426 1.00 0.00 C ATOM 270 C VAL A 19 -5.900 -2.615 6.389 1.00 0.00 C ATOM 271 O VAL A 19 -5.945 -1.430 6.062 1.00 0.00 O ATOM 272 CB VAL A 19 -6.427 -4.310 4.556 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.189 -3.252 3.755 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.827 -5.372 3.631 1.00 0.00 C ATOM 0 H VAL A 19 -5.160 -5.558 6.307 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.663 -3.156 4.747 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.138 -4.805 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.951 -3.737 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.664 -2.550 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.495 -2.715 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.617 -5.814 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.084 -4.910 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.352 -6.149 4.229 1.00 0.00 H new ATOM 284 N VAL A 20 -6.310 -3.087 7.557 1.00 0.00 N ATOM 285 CA VAL A 20 -6.861 -2.202 8.570 1.00 0.00 C ATOM 286 C VAL A 20 -5.804 -1.173 8.973 1.00 0.00 C ATOM 287 O VAL A 20 -6.082 0.025 9.016 1.00 0.00 O ATOM 288 CB VAL A 20 -7.380 -3.021 9.753 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.528 -2.148 11.001 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.702 -3.709 9.406 1.00 0.00 C ATOM 0 H VAL A 20 -6.272 -4.070 7.825 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.714 -1.652 8.173 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.646 -3.797 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.898 -2.754 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.559 -1.726 11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.232 -1.341 10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.049 -4.285 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.447 -2.956 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.553 -4.377 8.558 1.00 0.00 H new ATOM 300 N GLU A 21 -4.612 -1.677 9.257 1.00 0.00 N ATOM 301 CA GLU A 21 -3.514 -0.817 9.664 1.00 0.00 C ATOM 302 C GLU A 21 -3.198 0.198 8.564 1.00 0.00 C ATOM 303 O GLU A 21 -3.090 1.394 8.830 1.00 0.00 O ATOM 304 CB GLU A 21 -2.275 -1.641 10.022 1.00 0.00 C ATOM 305 CG GLU A 21 -2.333 -2.115 11.475 1.00 0.00 C ATOM 306 CD GLU A 21 -1.989 -0.976 12.437 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.778 -0.774 12.668 1.00 0.00 O ATOM 308 OE2 GLU A 21 -2.946 -0.333 12.920 1.00 0.00 O ATOM 0 H GLU A 21 -4.383 -2.670 9.213 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.818 -0.272 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.202 -2.502 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.378 -1.042 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.330 -2.495 11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.637 -2.941 11.620 1.00 0.00 H new ATOM 315 N LEU A 22 -3.059 -0.316 7.351 1.00 0.00 N ATOM 316 CA LEU A 22 -2.759 0.531 6.209 1.00 0.00 C ATOM 317 C LEU A 22 -3.796 1.653 6.125 1.00 0.00 C ATOM 318 O LEU A 22 -3.459 2.827 6.266 1.00 0.00 O ATOM 319 CB LEU A 22 -2.654 -0.307 4.933 1.00 0.00 C ATOM 320 CG LEU A 22 -2.176 0.433 3.682 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.658 0.324 3.527 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.916 -0.061 2.437 1.00 0.00 C ATOM 0 H LEU A 22 -3.149 -1.309 7.134 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.785 1.005 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.973 -1.137 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.633 -0.739 4.724 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.413 1.491 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.345 0.858 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.171 0.761 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.375 -0.725 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.558 0.481 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.733 -1.127 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.986 0.111 2.557 1.00 0.00 H new ATOM 334 N ILE A 23 -5.038 1.251 5.895 1.00 0.00 N ATOM 335 CA ILE A 23 -6.121 2.209 5.757 1.00 0.00 C ATOM 336 C ILE A 23 -6.042 3.229 6.896 1.00 0.00 C ATOM 337 O ILE A 23 -6.088 4.435 6.658 1.00 0.00 O ATOM 338 CB ILE A 23 -7.467 1.488 5.670 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.623 0.778 4.324 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.624 2.450 5.948 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.768 1.789 3.185 1.00 0.00 C ATOM 0 H ILE A 23 -5.318 0.275 5.801 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.022 2.764 4.824 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.493 0.721 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.757 0.141 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.497 0.127 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.569 1.912 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.516 2.869 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.612 3.256 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.877 1.258 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.648 2.408 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.882 2.422 3.145 1.00 0.00 H new ATOM 353 N SER A 24 -5.925 2.707 8.108 1.00 0.00 N ATOM 354 CA SER A 24 -5.906 3.553 9.289 1.00 0.00 C ATOM 355 C SER A 24 -4.774 4.576 9.182 1.00 0.00 C ATOM 356 O SER A 24 -4.933 5.727 9.585 1.00 0.00 O ATOM 357 CB SER A 24 -5.750 2.719 10.562 1.00 0.00 C ATOM 358 OG SER A 24 -7.007 2.290 11.077 1.00 0.00 O ATOM 0 H SER A 24 -5.842 1.708 8.298 1.00 0.00 H new ATOM 0 HA SER A 24 -6.858 4.080 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.129 1.849 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.230 3.306 11.319 1.00 0.00 H new ATOM 0 HG SER A 24 -6.864 1.759 11.888 1.00 0.00 H new ATOM 364 N ALA A 25 -3.656 4.119 8.636 1.00 0.00 N ATOM 365 CA ALA A 25 -2.495 4.978 8.478 1.00 0.00 C ATOM 366 C ALA A 25 -2.875 6.191 7.627 1.00 0.00 C ATOM 367 O ALA A 25 -2.721 7.332 8.061 1.00 0.00 O ATOM 368 CB ALA A 25 -1.345 4.175 7.868 1.00 0.00 C ATOM 0 H ALA A 25 -3.530 3.165 8.298 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.157 5.348 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.474 4.819 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.094 3.343 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.647 3.790 6.894 1.00 0.00 H new ATOM 374 N MET A 26 -3.365 5.903 6.430 1.00 0.00 N ATOM 375 CA MET A 26 -3.757 6.956 5.509 1.00 0.00 C ATOM 376 C MET A 26 -4.712 7.945 6.181 1.00 0.00 C ATOM 377 O MET A 26 -4.550 9.157 6.049 1.00 0.00 O ATOM 378 CB MET A 26 -4.439 6.338 4.287 1.00 0.00 C ATOM 379 CG MET A 26 -3.425 5.607 3.404 1.00 0.00 C ATOM 380 SD MET A 26 -4.226 4.996 1.931 1.00 0.00 S ATOM 381 CE MET A 26 -3.120 3.660 1.508 1.00 0.00 C ATOM 0 H MET A 26 -3.499 4.956 6.077 1.00 0.00 H new ATOM 0 HA MET A 26 -2.861 7.496 5.202 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.213 5.642 4.611 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.934 7.118 3.709 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.613 6.282 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.980 4.779 3.956 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.504 3.133 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.132 4.063 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.048 2.968 2.347 1.00 0.00 H new ATOM 391 N GLU A 27 -5.687 7.390 6.886 1.00 0.00 N ATOM 392 CA GLU A 27 -6.682 8.208 7.560 1.00 0.00 C ATOM 393 C GLU A 27 -6.001 9.320 8.360 1.00 0.00 C ATOM 394 O GLU A 27 -6.426 10.473 8.312 1.00 0.00 O ATOM 395 CB GLU A 27 -7.575 7.353 8.461 1.00 0.00 C ATOM 396 CG GLU A 27 -8.797 6.841 7.695 1.00 0.00 C ATOM 397 CD GLU A 27 -9.824 6.226 8.648 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.535 5.123 9.159 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.874 6.874 8.845 1.00 0.00 O ATOM 0 H GLU A 27 -5.809 6.384 7.005 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.318 8.668 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.005 6.509 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.900 7.940 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.254 7.662 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.485 6.097 6.961 1.00 0.00 H new ATOM 406 N GLU A 28 -4.955 8.935 9.076 1.00 0.00 N ATOM 407 CA GLU A 28 -4.239 9.876 9.921 1.00 0.00 C ATOM 408 C GLU A 28 -3.285 10.725 9.080 1.00 0.00 C ATOM 409 O GLU A 28 -3.214 11.941 9.253 1.00 0.00 O ATOM 410 CB GLU A 28 -3.487 9.148 11.037 1.00 0.00 C ATOM 411 CG GLU A 28 -2.699 10.135 11.901 1.00 0.00 C ATOM 412 CD GLU A 28 -2.607 9.644 13.348 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.684 9.429 13.944 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.461 9.496 13.824 1.00 0.00 O ATOM 0 H GLU A 28 -4.586 7.984 9.089 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.966 10.539 10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.194 8.599 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.807 8.415 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.697 10.263 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.181 11.112 11.875 1.00 0.00 H new ATOM 421 N LYS A 29 -2.574 10.051 8.188 1.00 0.00 N ATOM 422 CA LYS A 29 -1.597 10.723 7.347 1.00 0.00 C ATOM 423 C LYS A 29 -2.279 11.866 6.593 1.00 0.00 C ATOM 424 O LYS A 29 -1.970 13.035 6.818 1.00 0.00 O ATOM 425 CB LYS A 29 -0.894 9.716 6.434 1.00 0.00 C ATOM 426 CG LYS A 29 0.060 10.424 5.470 1.00 0.00 C ATOM 427 CD LYS A 29 1.308 10.924 6.200 1.00 0.00 C ATOM 428 CE LYS A 29 2.547 10.806 5.312 1.00 0.00 C ATOM 429 NZ LYS A 29 3.756 10.582 6.136 1.00 0.00 N ATOM 0 H LYS A 29 -2.655 9.047 8.029 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.811 11.168 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.340 8.997 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.636 9.152 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.351 9.740 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.451 11.264 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.167 11.963 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.455 10.348 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.421 9.982 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.666 11.714 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.588 10.504 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.884 11.381 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.647 9.703 6.681 1.00 0.00 H new ATOM 443 N PHE A 30 -3.195 11.488 5.713 1.00 0.00 N ATOM 444 CA PHE A 30 -3.907 12.465 4.908 1.00 0.00 C ATOM 445 C PHE A 30 -4.948 13.212 5.744 1.00 0.00 C ATOM 446 O PHE A 30 -5.588 14.143 5.259 1.00 0.00 O ATOM 447 CB PHE A 30 -4.622 11.694 3.796 1.00 0.00 C ATOM 448 CG PHE A 30 -3.676 11.031 2.792 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.274 11.711 1.686 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.239 9.761 3.007 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.396 11.095 0.754 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.361 9.146 2.075 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.959 9.826 0.969 1.00 0.00 C ATOM 0 H PHE A 30 -3.460 10.518 5.540 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.206 13.199 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.252 10.928 4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.283 12.376 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.622 12.719 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.559 9.221 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.076 11.635 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.013 8.138 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.292 9.358 0.260 1.00 0.00 H new ATOM 463 N GLY A 31 -5.085 12.775 6.988 1.00 0.00 N ATOM 464 CA GLY A 31 -6.029 13.398 7.900 1.00 0.00 C ATOM 465 C GLY A 31 -7.418 13.501 7.267 1.00 0.00 C ATOM 466 O GLY A 31 -7.942 14.599 7.087 1.00 0.00 O ATOM 0 H GLY A 31 -4.558 11.997 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.087 12.818 8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.675 14.392 8.172 1.00 0.00 H new ATOM 568 N THR B 3 7.145 -2.519 3.135 1.00 0.00 N ATOM 569 CA THR B 3 6.435 -2.180 4.356 1.00 0.00 C ATOM 570 C THR B 3 5.104 -1.500 4.028 1.00 0.00 C ATOM 571 O THR B 3 4.906 -1.020 2.913 1.00 0.00 O ATOM 572 CB THR B 3 7.361 -1.319 5.218 1.00 0.00 C ATOM 573 OG1 THR B 3 7.450 -0.087 4.507 1.00 0.00 O ATOM 574 CG2 THR B 3 8.798 -1.843 5.237 1.00 0.00 C ATOM 0 HA THR B 3 6.176 -3.074 4.924 1.00 0.00 H new ATOM 0 HB THR B 3 6.976 -1.279 6.237 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.031 0.532 4.996 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.413 -1.196 5.863 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.811 -2.856 5.640 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.196 -1.851 4.222 1.00 0.00 H new ATOM 582 N LYS B 4 4.225 -1.482 5.020 1.00 0.00 N ATOM 583 CA LYS B 4 2.923 -0.858 4.854 1.00 0.00 C ATOM 584 C LYS B 4 3.104 0.650 4.675 1.00 0.00 C ATOM 585 O LYS B 4 2.394 1.275 3.888 1.00 0.00 O ATOM 586 CB LYS B 4 1.998 -1.233 6.014 1.00 0.00 C ATOM 587 CG LYS B 4 1.094 -2.408 5.636 1.00 0.00 C ATOM 588 CD LYS B 4 1.776 -3.744 5.937 1.00 0.00 C ATOM 589 CE LYS B 4 1.425 -4.235 7.343 1.00 0.00 C ATOM 590 NZ LYS B 4 2.334 -3.633 8.344 1.00 0.00 N ATOM 0 H LYS B 4 4.389 -1.889 5.941 1.00 0.00 H new ATOM 0 HA LYS B 4 2.434 -1.230 3.953 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.593 -1.494 6.889 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.387 -0.373 6.289 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.156 -2.342 6.188 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.845 -2.353 4.576 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.469 -4.487 5.201 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.857 -3.633 5.846 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.393 -3.976 7.578 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.498 -5.322 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.361 -4.232 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.291 -3.558 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.990 -2.685 8.600 1.00 0.00 H new ATOM 604 N ASP B 5 4.057 1.192 5.419 1.00 0.00 N ATOM 605 CA ASP B 5 4.327 2.619 5.367 1.00 0.00 C ATOM 606 C ASP B 5 4.696 3.012 3.935 1.00 0.00 C ATOM 607 O ASP B 5 4.204 4.012 3.415 1.00 0.00 O ATOM 608 CB ASP B 5 5.500 2.992 6.276 1.00 0.00 C ATOM 609 CG ASP B 5 5.125 3.268 7.733 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.524 4.337 7.972 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.449 2.403 8.576 1.00 0.00 O ATOM 0 H ASP B 5 4.652 0.669 6.061 1.00 0.00 H new ATOM 0 HA ASP B 5 3.431 3.143 5.700 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.231 2.184 6.251 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.989 3.877 5.868 1.00 0.00 H new ATOM 616 N GLN B 6 5.560 2.204 3.337 1.00 0.00 N ATOM 617 CA GLN B 6 6.014 2.465 1.982 1.00 0.00 C ATOM 618 C GLN B 6 4.818 2.637 1.045 1.00 0.00 C ATOM 619 O GLN B 6 4.901 3.360 0.053 1.00 0.00 O ATOM 620 CB GLN B 6 6.940 1.350 1.490 1.00 0.00 C ATOM 621 CG GLN B 6 8.399 1.660 1.828 1.00 0.00 C ATOM 622 CD GLN B 6 8.933 2.801 0.960 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.130 3.918 1.410 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.155 2.460 -0.306 1.00 0.00 N ATOM 0 H GLN B 6 5.957 1.368 3.766 1.00 0.00 H new ATOM 0 HA GLN B 6 6.585 3.393 1.984 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.650 0.404 1.947 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.830 1.230 0.412 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.483 1.930 2.881 1.00 0.00 H new ATOM 0 HG3 GLN B 6 9.008 0.769 1.678 1.00 0.00 H new ATOM 0 HE21 GLN B 6 8.969 1.507 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.512 3.152 -0.965 1.00 0.00 H new ATOM 633 N ILE B 7 3.732 1.962 1.392 1.00 0.00 N ATOM 634 CA ILE B 7 2.530 2.008 0.577 1.00 0.00 C ATOM 635 C ILE B 7 1.793 3.323 0.837 1.00 0.00 C ATOM 636 O ILE B 7 1.149 3.866 -0.060 1.00 0.00 O ATOM 637 CB ILE B 7 1.671 0.764 0.819 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.431 -0.509 0.441 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.332 0.872 0.086 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.456 -0.702 -1.077 1.00 0.00 C ATOM 0 H ILE B 7 3.659 1.380 2.227 1.00 0.00 H new ATOM 0 HA ILE B 7 2.787 1.990 -0.482 1.00 0.00 H new ATOM 0 HB ILE B 7 1.451 0.702 1.885 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.451 -0.454 0.821 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.961 -1.371 0.913 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.259 -0.024 0.274 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.210 1.747 0.446 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.510 0.971 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.002 -1.614 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.435 -0.781 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.949 0.151 -1.544 1.00 0.00 H new ATOM 652 N ILE B 8 1.912 3.799 2.068 1.00 0.00 N ATOM 653 CA ILE B 8 1.248 5.029 2.463 1.00 0.00 C ATOM 654 C ILE B 8 1.738 6.175 1.575 1.00 0.00 C ATOM 655 O ILE B 8 0.934 6.917 1.014 1.00 0.00 O ATOM 656 CB ILE B 8 1.439 5.285 3.959 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.931 4.103 4.787 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.784 6.602 4.378 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.556 3.850 4.528 1.00 0.00 C ATOM 0 H ILE B 8 2.459 3.354 2.805 1.00 0.00 H new ATOM 0 HA ILE B 8 0.172 4.946 2.313 1.00 0.00 H new ATOM 0 HB ILE B 8 2.507 5.380 4.155 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.504 3.209 4.541 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.090 4.302 5.847 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.935 6.760 5.446 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.234 7.425 3.823 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.284 6.561 4.164 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.891 3.005 5.129 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.129 4.737 4.798 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.709 3.628 3.472 1.00 0.00 H new ATOM 671 N GLU B 9 3.055 6.284 1.477 1.00 0.00 N ATOM 672 CA GLU B 9 3.661 7.348 0.696 1.00 0.00 C ATOM 673 C GLU B 9 3.359 7.153 -0.792 1.00 0.00 C ATOM 674 O GLU B 9 3.505 8.081 -1.585 1.00 0.00 O ATOM 675 CB GLU B 9 5.169 7.419 0.944 1.00 0.00 C ATOM 676 CG GLU B 9 5.875 6.179 0.393 1.00 0.00 C ATOM 677 CD GLU B 9 7.133 6.565 -0.388 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.859 7.452 0.109 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.340 5.963 -1.464 1.00 0.00 O ATOM 0 H GLU B 9 3.719 5.653 1.926 1.00 0.00 H new ATOM 0 HA GLU B 9 3.228 8.297 1.013 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.577 8.313 0.473 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.361 7.506 2.013 1.00 0.00 H new ATOM 0 HG2 GLU B 9 6.142 5.514 1.214 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.195 5.627 -0.256 1.00 0.00 H new ATOM 686 N ALA B 10 2.944 5.939 -1.124 1.00 0.00 N ATOM 687 CA ALA B 10 2.651 5.601 -2.506 1.00 0.00 C ATOM 688 C ALA B 10 1.316 6.230 -2.909 1.00 0.00 C ATOM 689 O ALA B 10 1.171 6.728 -4.025 1.00 0.00 O ATOM 690 CB ALA B 10 2.652 4.080 -2.671 1.00 0.00 C ATOM 0 H ALA B 10 2.804 5.178 -0.460 1.00 0.00 H new ATOM 0 HA ALA B 10 3.418 6.002 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.432 3.826 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.631 3.685 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.893 3.643 -2.022 1.00 0.00 H new ATOM 696 N VAL B 11 0.373 6.188 -1.979 1.00 0.00 N ATOM 697 CA VAL B 11 -0.939 6.763 -2.216 1.00 0.00 C ATOM 698 C VAL B 11 -0.824 8.289 -2.249 1.00 0.00 C ATOM 699 O VAL B 11 -1.650 8.964 -2.861 1.00 0.00 O ATOM 700 CB VAL B 11 -1.929 6.261 -1.163 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.190 7.127 -1.139 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.279 4.790 -1.397 1.00 0.00 C ATOM 0 H VAL B 11 0.492 5.764 -1.059 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.326 6.445 -3.184 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.449 6.340 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.877 6.749 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.920 8.156 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.673 7.094 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.984 4.458 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.730 4.676 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.373 4.187 -1.340 1.00 0.00 H new ATOM 712 N ALA B 12 0.207 8.787 -1.582 1.00 0.00 N ATOM 713 CA ALA B 12 0.447 10.219 -1.537 1.00 0.00 C ATOM 714 C ALA B 12 1.350 10.618 -2.706 1.00 0.00 C ATOM 715 O ALA B 12 1.823 11.751 -2.772 1.00 0.00 O ATOM 716 CB ALA B 12 1.050 10.593 -0.181 1.00 0.00 C ATOM 0 H ALA B 12 0.885 8.224 -1.069 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.489 10.768 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.230 11.667 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.358 10.316 0.614 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.992 10.063 -0.043 1.00 0.00 H new ATOM 722 N ALA B 13 1.563 9.663 -3.600 1.00 0.00 N ATOM 723 CA ALA B 13 2.393 9.903 -4.768 1.00 0.00 C ATOM 724 C ALA B 13 1.496 10.095 -5.994 1.00 0.00 C ATOM 725 O ALA B 13 1.878 10.773 -6.946 1.00 0.00 O ATOM 726 CB ALA B 13 3.378 8.746 -4.942 1.00 0.00 C ATOM 0 H ALA B 13 1.175 8.722 -3.539 1.00 0.00 H new ATOM 0 HA ALA B 13 2.979 10.813 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.000 8.927 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.010 8.670 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.826 7.815 -5.074 1.00 0.00 H new ATOM 732 N MET B 14 0.321 9.487 -5.929 1.00 0.00 N ATOM 733 CA MET B 14 -0.626 9.570 -7.027 1.00 0.00 C ATOM 734 C MET B 14 -1.614 10.719 -6.813 1.00 0.00 C ATOM 735 O MET B 14 -1.658 11.312 -5.736 1.00 0.00 O ATOM 736 CB MET B 14 -1.394 8.251 -7.141 1.00 0.00 C ATOM 737 CG MET B 14 -0.437 7.077 -7.360 1.00 0.00 C ATOM 738 SD MET B 14 -0.672 5.852 -6.083 1.00 0.00 S ATOM 739 CE MET B 14 -1.889 4.812 -6.871 1.00 0.00 C ATOM 0 H MET B 14 0.003 8.935 -5.133 1.00 0.00 H new ATOM 0 HA MET B 14 -0.072 9.758 -7.946 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.977 8.086 -6.235 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.101 8.308 -7.969 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.613 6.632 -8.339 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.594 7.431 -7.351 1.00 0.00 H new ATOM 0 HE1 MET B 14 -2.125 3.970 -6.220 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.794 5.390 -7.059 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.493 4.440 -7.816 1.00 0.00 H new ATOM 749 N SER B 15 -2.381 10.999 -7.856 1.00 0.00 N ATOM 750 CA SER B 15 -3.354 12.077 -7.801 1.00 0.00 C ATOM 751 C SER B 15 -4.593 11.624 -7.026 1.00 0.00 C ATOM 752 O SER B 15 -4.820 10.427 -6.855 1.00 0.00 O ATOM 753 CB SER B 15 -3.746 12.537 -9.207 1.00 0.00 C ATOM 754 OG SER B 15 -3.553 11.512 -10.178 1.00 0.00 O ATOM 0 H SER B 15 -2.349 10.498 -8.744 1.00 0.00 H new ATOM 0 HA SER B 15 -2.899 12.923 -7.285 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.791 12.846 -9.209 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.155 13.411 -9.480 1.00 0.00 H new ATOM 0 HG SER B 15 -2.612 11.494 -10.452 1.00 0.00 H new ATOM 760 N VAL B 16 -5.363 12.605 -6.578 1.00 0.00 N ATOM 761 CA VAL B 16 -6.560 12.323 -5.805 1.00 0.00 C ATOM 762 C VAL B 16 -7.482 11.409 -6.615 1.00 0.00 C ATOM 763 O VAL B 16 -8.002 10.425 -6.091 1.00 0.00 O ATOM 764 CB VAL B 16 -7.233 13.632 -5.386 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.576 13.364 -4.703 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.313 14.457 -4.484 1.00 0.00 C ATOM 0 H VAL B 16 -5.181 13.596 -6.736 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.305 11.795 -4.886 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.426 14.213 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -9.033 14.311 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.236 12.837 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.417 12.753 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.815 15.382 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.074 13.885 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.394 14.693 -5.020 1.00 0.00 H new ATOM 776 N MET B 17 -7.656 11.767 -7.878 1.00 0.00 N ATOM 777 CA MET B 17 -8.511 10.995 -8.764 1.00 0.00 C ATOM 778 C MET B 17 -8.018 9.551 -8.880 1.00 0.00 C ATOM 779 O MET B 17 -8.807 8.613 -8.785 1.00 0.00 O ATOM 780 CB MET B 17 -8.527 11.642 -10.150 1.00 0.00 C ATOM 781 CG MET B 17 -9.639 12.688 -10.254 1.00 0.00 C ATOM 782 SD MET B 17 -10.745 12.273 -11.593 1.00 0.00 S ATOM 783 CE MET B 17 -11.882 13.644 -11.493 1.00 0.00 C ATOM 0 H MET B 17 -7.220 12.582 -8.310 1.00 0.00 H new ATOM 0 HA MET B 17 -9.518 10.983 -8.347 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.563 12.110 -10.348 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.671 10.876 -10.911 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.192 12.737 -9.316 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.207 13.675 -10.421 1.00 0.00 H new ATOM 0 HE1 MET B 17 -12.644 13.541 -12.265 1.00 0.00 H new ATOM 0 HE2 MET B 17 -12.358 13.651 -10.512 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.340 14.578 -11.640 1.00 0.00 H new ATOM 793 N ASP B 18 -6.716 9.419 -9.085 1.00 0.00 N ATOM 794 CA ASP B 18 -6.110 8.106 -9.224 1.00 0.00 C ATOM 795 C ASP B 18 -6.418 7.272 -7.979 1.00 0.00 C ATOM 796 O ASP B 18 -6.578 6.055 -8.066 1.00 0.00 O ATOM 797 CB ASP B 18 -4.589 8.212 -9.358 1.00 0.00 C ATOM 798 CG ASP B 18 -3.923 7.056 -10.106 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.148 6.971 -11.333 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.205 6.284 -9.435 1.00 0.00 O ATOM 0 H ASP B 18 -6.064 10.200 -9.158 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.519 7.639 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.349 9.143 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.155 8.277 -8.360 1.00 0.00 H new ATOM 805 N VAL B 19 -6.491 7.959 -6.849 1.00 0.00 N ATOM 806 CA VAL B 19 -6.717 7.290 -5.579 1.00 0.00 C ATOM 807 C VAL B 19 -8.205 6.962 -5.438 1.00 0.00 C ATOM 808 O VAL B 19 -8.568 5.962 -4.820 1.00 0.00 O ATOM 809 CB VAL B 19 -6.184 8.150 -4.432 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.658 7.616 -3.079 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.657 8.243 -4.480 1.00 0.00 C ATOM 0 H VAL B 19 -6.398 8.973 -6.786 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.171 6.347 -5.542 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.585 9.156 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.265 8.246 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.747 7.626 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.300 6.595 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.304 8.860 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.229 7.244 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.349 8.691 -5.425 1.00 0.00 H new ATOM 821 N VAL B 20 -9.026 7.822 -6.022 1.00 0.00 N ATOM 822 CA VAL B 20 -10.465 7.623 -5.989 1.00 0.00 C ATOM 823 C VAL B 20 -10.816 6.341 -6.747 1.00 0.00 C ATOM 824 O VAL B 20 -11.661 5.565 -6.303 1.00 0.00 O ATOM 825 CB VAL B 20 -11.177 8.859 -6.544 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.598 8.517 -6.995 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.185 9.994 -5.518 1.00 0.00 C ATOM 0 H VAL B 20 -8.722 8.658 -6.521 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.810 7.499 -4.962 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.622 9.201 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.081 9.413 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.559 7.757 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.168 8.137 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.697 10.860 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.704 9.667 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.159 10.265 -5.267 1.00 0.00 H new ATOM 837 N GLU B 21 -10.149 6.158 -7.877 1.00 0.00 N ATOM 838 CA GLU B 21 -10.370 4.977 -8.694 1.00 0.00 C ATOM 839 C GLU B 21 -9.908 3.723 -7.949 1.00 0.00 C ATOM 840 O GLU B 21 -10.616 2.717 -7.921 1.00 0.00 O ATOM 841 CB GLU B 21 -9.662 5.104 -10.044 1.00 0.00 C ATOM 842 CG GLU B 21 -10.538 5.850 -11.054 1.00 0.00 C ATOM 843 CD GLU B 21 -9.807 6.028 -12.387 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.831 5.062 -13.180 1.00 0.00 O ATOM 845 OE2 GLU B 21 -9.242 7.125 -12.582 1.00 0.00 O ATOM 0 H GLU B 21 -9.455 6.808 -8.246 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.439 4.888 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.718 5.633 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.422 4.112 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.465 5.299 -11.214 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.812 6.825 -10.652 1.00 0.00 H new ATOM 852 N LEU B 22 -8.724 3.823 -7.363 1.00 0.00 N ATOM 853 CA LEU B 22 -8.166 2.715 -6.608 1.00 0.00 C ATOM 854 C LEU B 22 -9.165 2.282 -5.533 1.00 0.00 C ATOM 855 O LEU B 22 -9.659 1.156 -5.556 1.00 0.00 O ATOM 856 CB LEU B 22 -6.788 3.083 -6.054 1.00 0.00 C ATOM 857 CG LEU B 22 -6.013 1.952 -5.376 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.275 1.097 -6.408 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.069 2.499 -4.304 1.00 0.00 C ATOM 0 H LEU B 22 -8.135 4.655 -7.396 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.003 1.855 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.182 3.472 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.912 3.893 -5.335 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.729 1.302 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.732 0.300 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.995 0.661 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.572 1.720 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.531 1.674 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.356 3.185 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.647 3.029 -3.547 1.00 0.00 H new ATOM 871 N ILE B 23 -9.433 3.200 -4.615 1.00 0.00 N ATOM 872 CA ILE B 23 -10.343 2.918 -3.518 1.00 0.00 C ATOM 873 C ILE B 23 -11.627 2.298 -4.074 1.00 0.00 C ATOM 874 O ILE B 23 -12.091 1.273 -3.576 1.00 0.00 O ATOM 875 CB ILE B 23 -10.580 4.177 -2.682 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.312 4.581 -1.927 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.773 3.994 -1.742 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.880 3.482 -0.954 1.00 0.00 C ATOM 0 H ILE B 23 -9.036 4.139 -4.609 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.905 2.189 -2.837 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.826 4.995 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.509 4.779 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.490 5.507 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.920 4.903 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.669 3.789 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.581 3.159 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.977 3.794 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.675 3.303 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.680 2.564 -1.507 1.00 0.00 H new ATOM 890 N SER B 24 -12.165 2.945 -5.097 1.00 0.00 N ATOM 891 CA SER B 24 -13.411 2.497 -5.694 1.00 0.00 C ATOM 892 C SER B 24 -13.268 1.055 -6.185 1.00 0.00 C ATOM 893 O SER B 24 -14.199 0.260 -6.068 1.00 0.00 O ATOM 894 CB SER B 24 -13.829 3.412 -6.847 1.00 0.00 C ATOM 895 OG SER B 24 -14.625 4.506 -6.400 1.00 0.00 O ATOM 0 H SER B 24 -11.760 3.776 -5.528 1.00 0.00 H new ATOM 0 HA SER B 24 -14.190 2.538 -4.932 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.939 3.792 -7.348 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.388 2.835 -7.584 1.00 0.00 H new ATOM 0 HG SER B 24 -14.870 5.067 -7.166 1.00 0.00 H new ATOM 901 N ALA B 25 -12.094 0.762 -6.725 1.00 0.00 N ATOM 902 CA ALA B 25 -11.822 -0.566 -7.249 1.00 0.00 C ATOM 903 C ALA B 25 -11.963 -1.592 -6.123 1.00 0.00 C ATOM 904 O ALA B 25 -12.866 -2.427 -6.149 1.00 0.00 O ATOM 905 CB ALA B 25 -10.432 -0.588 -7.887 1.00 0.00 C ATOM 0 H ALA B 25 -11.320 1.421 -6.811 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.541 -0.827 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.228 -1.584 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.393 0.138 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.683 -0.333 -7.137 1.00 0.00 H new ATOM 911 N MET B 26 -11.057 -1.497 -5.161 1.00 0.00 N ATOM 912 CA MET B 26 -11.054 -2.422 -4.041 1.00 0.00 C ATOM 913 C MET B 26 -12.445 -2.523 -3.411 1.00 0.00 C ATOM 914 O MET B 26 -12.888 -3.612 -3.049 1.00 0.00 O ATOM 915 CB MET B 26 -10.050 -1.948 -2.989 1.00 0.00 C ATOM 916 CG MET B 26 -8.613 -2.104 -3.492 1.00 0.00 C ATOM 917 SD MET B 26 -7.486 -1.266 -2.391 1.00 0.00 S ATOM 918 CE MET B 26 -5.975 -1.401 -3.333 1.00 0.00 C ATOM 0 H MET B 26 -10.319 -0.793 -5.134 1.00 0.00 H new ATOM 0 HA MET B 26 -10.769 -3.408 -4.409 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.242 -0.904 -2.743 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.182 -2.521 -2.071 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.354 -3.161 -3.555 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.525 -1.693 -4.498 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.191 -0.820 -2.848 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.672 -2.447 -3.386 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.139 -1.019 -4.341 1.00 0.00 H new ATOM 928 N GLU B 27 -13.093 -1.374 -3.298 1.00 0.00 N ATOM 929 CA GLU B 27 -14.416 -1.316 -2.699 1.00 0.00 C ATOM 930 C GLU B 27 -15.329 -2.372 -3.325 1.00 0.00 C ATOM 931 O GLU B 27 -16.052 -3.071 -2.617 1.00 0.00 O ATOM 932 CB GLU B 27 -15.020 0.083 -2.836 1.00 0.00 C ATOM 933 CG GLU B 27 -14.644 0.962 -1.642 1.00 0.00 C ATOM 934 CD GLU B 27 -15.242 0.411 -0.346 1.00 0.00 C ATOM 935 OE1 GLU B 27 -16.327 -0.202 -0.437 1.00 0.00 O ATOM 936 OE2 GLU B 27 -14.599 0.615 0.707 1.00 0.00 O ATOM 0 H GLU B 27 -12.727 -0.475 -3.611 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.321 -1.531 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.668 0.546 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.105 0.009 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.559 1.015 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -15.000 1.979 -1.808 1.00 0.00 H new ATOM 943 N GLU B 28 -15.266 -2.454 -4.646 1.00 0.00 N ATOM 944 CA GLU B 28 -16.112 -3.381 -5.379 1.00 0.00 C ATOM 945 C GLU B 28 -15.493 -4.780 -5.377 1.00 0.00 C ATOM 946 O GLU B 28 -16.175 -5.764 -5.095 1.00 0.00 O ATOM 947 CB GLU B 28 -16.353 -2.890 -6.808 1.00 0.00 C ATOM 948 CG GLU B 28 -17.637 -3.490 -7.384 1.00 0.00 C ATOM 949 CD GLU B 28 -17.458 -3.852 -8.860 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.651 -4.769 -9.126 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.132 -3.204 -9.689 1.00 0.00 O ATOM 0 H GLU B 28 -14.643 -1.894 -5.228 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.079 -3.433 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.420 -1.802 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.506 -3.162 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.913 -4.380 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.455 -2.778 -7.277 1.00 0.00 H new ATOM 958 N LYS B 29 -14.207 -4.824 -5.694 1.00 0.00 N ATOM 959 CA LYS B 29 -13.498 -6.090 -5.768 1.00 0.00 C ATOM 960 C LYS B 29 -13.743 -6.882 -4.482 1.00 0.00 C ATOM 961 O LYS B 29 -14.371 -7.939 -4.511 1.00 0.00 O ATOM 962 CB LYS B 29 -12.017 -5.857 -6.073 1.00 0.00 C ATOM 963 CG LYS B 29 -11.238 -7.174 -6.051 1.00 0.00 C ATOM 964 CD LYS B 29 -11.425 -7.942 -7.361 1.00 0.00 C ATOM 965 CE LYS B 29 -10.292 -8.949 -7.572 1.00 0.00 C ATOM 966 NZ LYS B 29 -9.278 -8.400 -8.501 1.00 0.00 N ATOM 0 H LYS B 29 -13.638 -4.003 -5.902 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.879 -6.693 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.913 -5.385 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.595 -5.169 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.179 -6.972 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.575 -7.786 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.382 -8.463 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.455 -7.242 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.827 -9.188 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.694 -9.880 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.516 -9.095 -8.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.723 -8.195 -9.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.882 -7.524 -8.104 1.00 0.00 H new ATOM 980 N PHE B 30 -13.234 -6.341 -3.385 1.00 0.00 N ATOM 981 CA PHE B 30 -13.359 -7.003 -2.097 1.00 0.00 C ATOM 982 C PHE B 30 -14.784 -6.881 -1.554 1.00 0.00 C ATOM 983 O PHE B 30 -15.116 -7.480 -0.532 1.00 0.00 O ATOM 984 CB PHE B 30 -12.398 -6.299 -1.138 1.00 0.00 C ATOM 985 CG PHE B 30 -10.920 -6.577 -1.421 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.349 -7.731 -0.983 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.178 -5.671 -2.113 1.00 0.00 C ATOM 988 CE1 PHE B 30 -8.978 -7.989 -1.246 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.807 -5.929 -2.376 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.236 -7.083 -1.937 1.00 0.00 C ATOM 0 H PHE B 30 -12.734 -5.452 -3.361 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.128 -8.063 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.571 -5.224 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.627 -6.609 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.939 -8.451 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.632 -4.755 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.524 -8.905 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.217 -5.209 -2.924 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.193 -7.280 -2.137 1.00 0.00 H new