USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0218 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ 167:sc= -1.54! (180deg=-1.93!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.25) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.29! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.00085) USER MOD Single : A 14 CYS SG : rot -140:sc= -3.11! USER MOD Single : A 15 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 16 MET CE :methyl 174:sc= 0 (180deg=-0.0626) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.99 X(o=-2,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 1:sc= 0.582 USER MOD Single : A 61 LYS NZ :NH3+ -109:sc= -0.0967 (180deg=-0.963) USER MOD Single : A 63 MET CE :methyl -152:sc= 0 (180deg=-0.725) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.238) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -163:sc=-0.00992 (180deg=-0.12) USER MOD Single : A 77 SER OG : rot -38:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.103 -8.775 -7.877 1.00 0.00 N ATOM 2 CA MET A 1 4.926 -9.033 -8.747 1.00 0.00 C ATOM 3 C MET A 1 3.847 -7.970 -8.554 1.00 0.00 C ATOM 4 O MET A 1 3.437 -7.318 -9.514 1.00 0.00 O ATOM 5 CB MET A 1 4.366 -10.423 -8.432 1.00 0.00 C ATOM 6 CG MET A 1 3.981 -11.217 -9.670 1.00 0.00 C ATOM 7 SD MET A 1 4.442 -12.957 -9.551 1.00 0.00 S ATOM 8 CE MET A 1 2.956 -13.743 -10.169 1.00 0.00 C ATOM 0 H1 MET A 1 6.715 -9.616 -7.863 1.00 0.00 H new ATOM 0 H2 MET A 1 6.638 -7.964 -8.248 1.00 0.00 H new ATOM 0 H3 MET A 1 5.781 -8.565 -6.911 1.00 0.00 H new ATOM 0 HA MET A 1 5.244 -8.990 -9.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.109 -10.985 -7.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.490 -10.317 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.905 -11.140 -9.826 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.462 -10.777 -10.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.964 -14.799 -9.900 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.081 -13.263 -9.730 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.917 -13.646 -11.254 1.00 0.00 H new ATOM 20 N MET A 2 3.383 -7.796 -7.317 1.00 0.00 N ATOM 21 CA MET A 2 2.350 -6.806 -7.040 1.00 0.00 C ATOM 22 C MET A 2 2.943 -5.401 -6.925 1.00 0.00 C ATOM 23 O MET A 2 3.733 -5.121 -6.024 1.00 0.00 O ATOM 24 CB MET A 2 1.596 -7.167 -5.758 1.00 0.00 C ATOM 25 CG MET A 2 0.225 -7.773 -6.009 1.00 0.00 C ATOM 26 SD MET A 2 0.309 -9.512 -6.475 1.00 0.00 S ATOM 27 CE MET A 2 -1.392 -9.819 -6.947 1.00 0.00 C ATOM 0 H MET A 2 3.702 -8.321 -6.503 1.00 0.00 H new ATOM 0 HA MET A 2 1.651 -6.810 -7.876 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.195 -7.871 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.482 -6.270 -5.149 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.383 -7.671 -5.110 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.276 -7.213 -6.799 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.501 -10.857 -7.261 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.046 -9.627 -6.096 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.666 -9.160 -7.771 1.00 0.00 H new ATOM 37 N LYS A 3 2.550 -4.517 -7.838 1.00 0.00 N ATOM 38 CA LYS A 3 3.036 -3.141 -7.824 1.00 0.00 C ATOM 39 C LYS A 3 2.269 -2.330 -6.790 1.00 0.00 C ATOM 40 O LYS A 3 1.133 -1.917 -7.024 1.00 0.00 O ATOM 41 CB LYS A 3 2.885 -2.505 -9.207 1.00 0.00 C ATOM 42 CG LYS A 3 3.954 -2.942 -10.197 1.00 0.00 C ATOM 43 CD LYS A 3 3.371 -3.787 -11.317 1.00 0.00 C ATOM 44 CE LYS A 3 2.907 -2.924 -12.480 1.00 0.00 C ATOM 45 NZ LYS A 3 2.324 -3.740 -13.582 1.00 0.00 N ATOM 0 H LYS A 3 1.899 -4.728 -8.594 1.00 0.00 H new ATOM 0 HA LYS A 3 4.093 -3.148 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.904 -2.758 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.918 -1.420 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.440 -2.063 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.723 -3.511 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.120 -4.498 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.532 -4.369 -10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.165 -2.208 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.749 -2.347 -12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.020 -3.114 -14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.040 -4.406 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.504 -4.271 -13.225 1.00 0.00 H new ATOM 59 N ILE A 4 2.891 -2.123 -5.637 1.00 0.00 N ATOM 60 CA ILE A 4 2.261 -1.382 -4.553 1.00 0.00 C ATOM 61 C ILE A 4 2.924 -0.024 -4.342 1.00 0.00 C ATOM 62 O ILE A 4 4.136 0.067 -4.148 1.00 0.00 O ATOM 63 CB ILE A 4 2.300 -2.191 -3.243 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.933 -3.657 -3.534 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.370 -1.566 -2.212 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.420 -4.437 -2.341 1.00 0.00 C ATOM 0 H ILE A 4 3.832 -2.458 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 4 1.222 -1.214 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 4 3.307 -2.172 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.174 -3.678 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.813 -4.164 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.406 -2.147 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.687 -0.543 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.351 -1.560 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.189 -5.458 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.183 -4.455 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.519 -3.960 -1.955 1.00 0.00 H new ATOM 78 N GLN A 5 2.112 1.029 -4.391 1.00 0.00 N ATOM 79 CA GLN A 5 2.604 2.393 -4.218 1.00 0.00 C ATOM 80 C GLN A 5 2.125 2.988 -2.895 1.00 0.00 C ATOM 81 O GLN A 5 0.947 2.884 -2.553 1.00 0.00 O ATOM 82 CB GLN A 5 2.131 3.266 -5.381 1.00 0.00 C ATOM 83 CG GLN A 5 3.037 3.200 -6.599 1.00 0.00 C ATOM 84 CD GLN A 5 3.115 1.807 -7.192 1.00 0.00 C ATOM 85 OE1 GLN A 5 4.202 1.287 -7.443 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.959 1.193 -7.417 1.00 0.00 N ATOM 0 H GLN A 5 1.107 0.963 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 5 3.693 2.363 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.126 2.959 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.064 4.300 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.672 3.894 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.038 3.529 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.081 1.661 -7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.949 0.253 -7.813 1.00 0.00 H new ATOM 95 N ILE A 6 3.040 3.618 -2.158 1.00 0.00 N ATOM 96 CA ILE A 6 2.697 4.230 -0.878 1.00 0.00 C ATOM 97 C ILE A 6 2.849 5.747 -0.936 1.00 0.00 C ATOM 98 O ILE A 6 3.966 6.262 -1.009 1.00 0.00 O ATOM 99 CB ILE A 6 3.582 3.682 0.256 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.578 2.153 0.245 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.108 4.211 1.600 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.637 1.540 1.137 1.00 0.00 C ATOM 0 H ILE A 6 4.019 3.717 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 6 1.656 3.979 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 6 4.605 4.022 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.597 1.798 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.729 1.804 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.744 3.815 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.162 5.300 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.078 3.899 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.576 0.453 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.624 1.866 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.475 1.859 2.167 1.00 0.00 H new ATOM 114 N TYR A 7 1.727 6.464 -0.908 1.00 0.00 N ATOM 115 CA TYR A 7 1.759 7.918 -0.963 1.00 0.00 C ATOM 116 C TYR A 7 1.697 8.532 0.429 1.00 0.00 C ATOM 117 O TYR A 7 0.786 8.250 1.208 1.00 0.00 O ATOM 118 CB TYR A 7 0.607 8.440 -1.818 1.00 0.00 C ATOM 119 CG TYR A 7 0.572 7.850 -3.215 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.259 8.433 -4.279 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.152 6.694 -3.466 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.212 7.876 -5.545 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.201 6.133 -4.725 1.00 0.00 C ATOM 124 CZ TYR A 7 0.482 6.726 -5.762 1.00 0.00 C ATOM 125 OH TYR A 7 0.439 6.169 -7.020 1.00 0.00 O ATOM 0 H TYR A 7 0.792 6.062 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 7 2.705 8.212 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.335 8.220 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.683 9.525 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.835 9.331 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.690 6.222 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.746 8.341 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.773 5.233 -4.896 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.117 5.363 -7.002 1.00 0.00 H new ATOM 135 N GLY A 8 2.678 9.378 0.728 1.00 0.00 N ATOM 136 CA GLY A 8 2.734 10.030 2.022 1.00 0.00 C ATOM 137 C GLY A 8 4.030 9.747 2.752 1.00 0.00 C ATOM 138 O GLY A 8 4.874 10.632 2.898 1.00 0.00 O ATOM 0 H GLY A 8 3.438 9.624 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.622 11.106 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.895 9.695 2.632 1.00 0.00 H new ATOM 142 N THR A 9 4.189 8.508 3.204 1.00 0.00 N ATOM 143 CA THR A 9 5.393 8.099 3.921 1.00 0.00 C ATOM 144 C THR A 9 5.508 8.806 5.268 1.00 0.00 C ATOM 145 O THR A 9 5.359 8.186 6.320 1.00 0.00 O ATOM 146 CB THR A 9 6.664 8.379 3.095 1.00 0.00 C ATOM 147 OG1 THR A 9 6.341 8.430 1.700 1.00 0.00 O ATOM 148 CG2 THR A 9 7.714 7.305 3.337 1.00 0.00 C ATOM 0 H THR A 9 3.498 7.767 3.087 1.00 0.00 H new ATOM 0 HA THR A 9 5.306 7.025 4.088 1.00 0.00 H new ATOM 0 HB THR A 9 7.070 9.340 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.154 8.610 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.602 7.524 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.979 7.287 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.314 6.333 3.047 1.00 0.00 H new ATOM 156 N GLY A 10 5.779 10.108 5.228 1.00 0.00 N ATOM 157 CA GLY A 10 5.914 10.877 6.452 1.00 0.00 C ATOM 158 C GLY A 10 4.677 10.804 7.327 1.00 0.00 C ATOM 159 O GLY A 10 4.496 9.847 8.080 1.00 0.00 O ATOM 0 H GLY A 10 5.907 10.644 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.774 10.511 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.116 11.918 6.202 1.00 0.00 H new ATOM 163 N CYS A 11 3.826 11.821 7.228 1.00 0.00 N ATOM 164 CA CYS A 11 2.600 11.872 8.018 1.00 0.00 C ATOM 165 C CYS A 11 1.742 10.632 7.783 1.00 0.00 C ATOM 166 O CYS A 11 1.002 10.202 8.667 1.00 0.00 O ATOM 167 CB CYS A 11 1.802 13.131 7.675 1.00 0.00 C ATOM 168 SG CYS A 11 2.088 14.516 8.803 1.00 0.00 S ATOM 0 H CYS A 11 3.963 12.620 6.609 1.00 0.00 H new ATOM 0 HA CYS A 11 2.879 11.900 9.071 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.054 13.443 6.662 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.740 12.887 7.678 1.00 0.00 H new ATOM 0 HG CYS A 11 1.372 15.535 8.430 1.00 0.00 H new ATOM 174 N ALA A 12 1.847 10.061 6.588 1.00 0.00 N ATOM 175 CA ALA A 12 1.080 8.871 6.242 1.00 0.00 C ATOM 176 C ALA A 12 1.562 7.658 7.038 1.00 0.00 C ATOM 177 O ALA A 12 2.729 7.275 6.962 1.00 0.00 O ATOM 178 CB ALA A 12 1.166 8.609 4.744 1.00 0.00 C ATOM 0 H ALA A 12 2.455 10.403 5.844 1.00 0.00 H new ATOM 0 HA ALA A 12 0.036 9.044 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.589 7.718 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.763 9.464 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.207 8.458 4.460 1.00 0.00 H new ATOM 184 N ASN A 13 0.652 7.070 7.811 1.00 0.00 N ATOM 185 CA ASN A 13 0.964 5.905 8.643 1.00 0.00 C ATOM 186 C ASN A 13 1.064 4.610 7.828 1.00 0.00 C ATOM 187 O ASN A 13 0.926 3.519 8.378 1.00 0.00 O ATOM 188 CB ASN A 13 -0.095 5.745 9.735 1.00 0.00 C ATOM 189 CG ASN A 13 -0.322 7.026 10.513 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.627 7.682 10.944 1.00 0.00 O ATOM 191 ND2 ASN A 13 -1.586 7.391 10.695 1.00 0.00 N ATOM 0 H ASN A 13 -0.316 7.383 7.880 1.00 0.00 H new ATOM 0 HA ASN A 13 1.941 6.084 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.034 5.427 9.282 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.211 4.956 10.422 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.801 8.245 11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.342 6.817 10.320 1.00 0.00 H new ATOM 198 N CYS A 14 1.298 4.729 6.525 1.00 0.00 N ATOM 199 CA CYS A 14 1.408 3.552 5.657 1.00 0.00 C ATOM 200 C CYS A 14 2.469 2.580 6.169 1.00 0.00 C ATOM 201 O CYS A 14 2.452 1.398 5.832 1.00 0.00 O ATOM 202 CB CYS A 14 1.760 3.967 4.227 1.00 0.00 C ATOM 203 SG CYS A 14 0.855 5.410 3.617 1.00 0.00 S ATOM 0 H CYS A 14 1.415 5.621 6.045 1.00 0.00 H new ATOM 0 HA CYS A 14 0.439 3.053 5.666 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.828 4.176 4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.568 3.126 3.561 1.00 0.00 H new ATOM 0 HG CYS A 14 0.526 5.222 2.373 1.00 0.00 H new ATOM 209 N GLN A 15 3.394 3.088 6.975 1.00 0.00 N ATOM 210 CA GLN A 15 4.475 2.285 7.532 1.00 0.00 C ATOM 211 C GLN A 15 3.972 0.956 8.106 1.00 0.00 C ATOM 212 O GLN A 15 4.627 -0.078 7.960 1.00 0.00 O ATOM 213 CB GLN A 15 5.194 3.115 8.600 1.00 0.00 C ATOM 214 CG GLN A 15 4.869 2.720 10.035 1.00 0.00 C ATOM 215 CD GLN A 15 5.362 3.739 11.045 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.208 3.436 11.887 1.00 0.00 O ATOM 217 NE2 GLN A 15 4.834 4.955 10.965 1.00 0.00 N ATOM 0 H GLN A 15 3.415 4.067 7.260 1.00 0.00 H new ATOM 0 HA GLN A 15 5.170 2.024 6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.270 3.026 8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.938 4.165 8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.791 2.602 10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.319 1.751 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.136 5.162 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.127 5.682 11.618 1.00 0.00 H new ATOM 226 N MET A 16 2.818 0.987 8.763 1.00 0.00 N ATOM 227 CA MET A 16 2.251 -0.219 9.361 1.00 0.00 C ATOM 228 C MET A 16 1.905 -1.254 8.296 1.00 0.00 C ATOM 229 O MET A 16 2.470 -2.348 8.277 1.00 0.00 O ATOM 230 CB MET A 16 1.004 0.129 10.178 1.00 0.00 C ATOM 231 CG MET A 16 1.213 1.275 11.154 1.00 0.00 C ATOM 232 SD MET A 16 -0.199 2.395 11.226 1.00 0.00 S ATOM 233 CE MET A 16 -1.487 1.283 11.784 1.00 0.00 C ATOM 0 H MET A 16 2.258 1.829 8.895 1.00 0.00 H new ATOM 0 HA MET A 16 3.003 -0.650 10.022 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.194 0.388 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.685 -0.754 10.731 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.401 0.870 12.148 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.102 1.836 10.865 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.397 1.850 11.979 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.682 0.537 11.014 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.166 0.785 12.699 1.00 0.00 H new ATOM 243 N LEU A 17 0.982 -0.905 7.409 1.00 0.00 N ATOM 244 CA LEU A 17 0.571 -1.809 6.340 1.00 0.00 C ATOM 245 C LEU A 17 1.711 -2.028 5.350 1.00 0.00 C ATOM 246 O LEU A 17 1.712 -3.000 4.596 1.00 0.00 O ATOM 247 CB LEU A 17 -0.651 -1.247 5.610 1.00 0.00 C ATOM 248 CG LEU A 17 -1.626 -2.293 5.055 1.00 0.00 C ATOM 249 CD1 LEU A 17 -1.054 -2.949 3.808 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.953 -3.340 6.111 1.00 0.00 C ATOM 0 H LEU A 17 0.504 -0.004 7.408 1.00 0.00 H new ATOM 0 HA LEU A 17 0.309 -2.768 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.194 -0.596 6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.305 -0.624 4.785 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.551 -1.786 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.760 -3.688 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.879 -2.190 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.112 -3.440 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.646 -4.072 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.037 -3.843 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.411 -2.856 6.974 1.00 0.00 H new ATOM 262 N GLU A 18 2.681 -1.118 5.357 1.00 0.00 N ATOM 263 CA GLU A 18 3.830 -1.228 4.446 1.00 0.00 C ATOM 264 C GLU A 18 4.588 -2.526 4.703 1.00 0.00 C ATOM 265 O GLU A 18 4.865 -3.286 3.775 1.00 0.00 O ATOM 266 CB GLU A 18 4.800 -0.035 4.570 1.00 0.00 C ATOM 267 CG GLU A 18 5.974 -0.119 3.609 1.00 0.00 C ATOM 268 CD GLU A 18 7.189 -0.782 4.227 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.040 -1.426 5.287 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.291 -0.658 3.652 1.00 0.00 O ATOM 0 H GLU A 18 2.701 -0.305 5.972 1.00 0.00 H new ATOM 0 HA GLU A 18 3.428 -1.225 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.254 0.890 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.177 0.014 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.673 -0.676 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.241 0.885 3.279 1.00 0.00 H new ATOM 277 N LYS A 19 4.916 -2.777 5.966 1.00 0.00 N ATOM 278 CA LYS A 19 5.639 -3.989 6.337 1.00 0.00 C ATOM 279 C LYS A 19 4.746 -5.217 6.188 1.00 0.00 C ATOM 280 O LYS A 19 5.159 -6.236 5.634 1.00 0.00 O ATOM 281 CB LYS A 19 6.150 -3.885 7.775 1.00 0.00 C ATOM 282 CG LYS A 19 7.315 -4.816 8.075 1.00 0.00 C ATOM 283 CD LYS A 19 8.368 -4.136 8.934 1.00 0.00 C ATOM 284 CE LYS A 19 9.391 -3.400 8.084 1.00 0.00 C ATOM 285 NZ LYS A 19 10.751 -3.443 8.689 1.00 0.00 N ATOM 0 H LYS A 19 4.694 -2.160 6.748 1.00 0.00 H new ATOM 0 HA LYS A 19 6.491 -4.096 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.457 -2.857 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.332 -4.108 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.948 -5.706 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.766 -5.148 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.886 -3.434 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.873 -4.880 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.422 -3.844 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.081 -2.362 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.419 -2.930 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.727 -2.997 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.058 -4.432 8.783 1.00 0.00 H new ATOM 299 N ASN A 20 3.518 -5.110 6.685 1.00 0.00 N ATOM 300 CA ASN A 20 2.558 -6.208 6.609 1.00 0.00 C ATOM 301 C ASN A 20 2.266 -6.580 5.158 1.00 0.00 C ATOM 302 O ASN A 20 2.108 -7.754 4.825 1.00 0.00 O ATOM 303 CB ASN A 20 1.252 -5.827 7.315 1.00 0.00 C ATOM 304 CG ASN A 20 1.492 -5.141 8.646 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.451 -5.449 9.353 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.619 -4.202 8.993 1.00 0.00 N ATOM 0 H ASN A 20 3.163 -4.272 7.146 1.00 0.00 H new ATOM 0 HA ASN A 20 2.998 -7.071 7.109 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.672 -5.168 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.654 -6.724 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.730 -3.704 9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.162 -3.979 8.376 1.00 0.00 H new ATOM 313 N ALA A 21 2.183 -5.568 4.304 1.00 0.00 N ATOM 314 CA ALA A 21 1.896 -5.775 2.889 1.00 0.00 C ATOM 315 C ALA A 21 2.990 -6.579 2.187 1.00 0.00 C ATOM 316 O ALA A 21 2.696 -7.493 1.423 1.00 0.00 O ATOM 317 CB ALA A 21 1.704 -4.438 2.191 1.00 0.00 C ATOM 0 H ALA A 21 2.311 -4.591 4.568 1.00 0.00 H new ATOM 0 HA ALA A 21 0.975 -6.355 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.490 -4.606 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.871 -3.905 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.613 -3.844 2.287 1.00 0.00 H new ATOM 323 N ARG A 22 4.247 -6.224 2.432 1.00 0.00 N ATOM 324 CA ARG A 22 5.370 -6.912 1.800 1.00 0.00 C ATOM 325 C ARG A 22 5.362 -8.407 2.105 1.00 0.00 C ATOM 326 O ARG A 22 5.429 -9.234 1.196 1.00 0.00 O ATOM 327 CB ARG A 22 6.696 -6.292 2.257 1.00 0.00 C ATOM 328 CG ARG A 22 7.340 -5.397 1.212 1.00 0.00 C ATOM 329 CD ARG A 22 8.786 -5.085 1.560 1.00 0.00 C ATOM 330 NE ARG A 22 9.208 -3.789 1.034 1.00 0.00 N ATOM 331 CZ ARG A 22 9.534 -3.576 -0.238 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.490 -4.569 -1.117 1.00 0.00 N ATOM 333 NH2 ARG A 22 9.906 -2.366 -0.633 1.00 0.00 N ATOM 0 H ARG A 22 4.514 -5.467 3.061 1.00 0.00 H new ATOM 0 HA ARG A 22 5.265 -6.791 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.523 -5.712 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.391 -7.091 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.296 -5.884 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.776 -4.468 1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.908 -5.094 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.432 -5.866 1.160 1.00 0.00 H new ATOM 0 HE ARG A 22 9.255 -3.001 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.205 -5.502 -0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.741 -4.399 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.942 -1.599 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.156 -2.202 -1.608 1.00 0.00 H new ATOM 347 N GLU A 23 5.298 -8.753 3.384 1.00 0.00 N ATOM 348 CA GLU A 23 5.299 -10.153 3.786 1.00 0.00 C ATOM 349 C GLU A 23 4.042 -10.874 3.307 1.00 0.00 C ATOM 350 O GLU A 23 4.126 -11.941 2.706 1.00 0.00 O ATOM 351 CB GLU A 23 5.434 -10.280 5.307 1.00 0.00 C ATOM 352 CG GLU A 23 4.540 -9.328 6.089 1.00 0.00 C ATOM 353 CD GLU A 23 3.488 -10.053 6.906 1.00 0.00 C ATOM 354 OE1 GLU A 23 2.620 -10.717 6.302 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.533 -9.957 8.150 1.00 0.00 O ATOM 0 H GLU A 23 5.245 -8.089 4.156 1.00 0.00 H new ATOM 0 HA GLU A 23 6.160 -10.628 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.200 -11.304 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.472 -10.099 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.155 -8.721 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.049 -8.645 5.396 1.00 0.00 H new ATOM 362 N ALA A 24 2.877 -10.292 3.575 1.00 0.00 N ATOM 363 CA ALA A 24 1.612 -10.898 3.169 1.00 0.00 C ATOM 364 C ALA A 24 1.500 -11.003 1.654 1.00 0.00 C ATOM 365 O ALA A 24 1.214 -12.073 1.122 1.00 0.00 O ATOM 366 CB ALA A 24 0.441 -10.108 3.736 1.00 0.00 C ATOM 0 H ALA A 24 2.782 -9.405 4.070 1.00 0.00 H new ATOM 0 HA ALA A 24 1.585 -11.910 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.495 -10.572 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.499 -10.102 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.479 -9.084 3.365 1.00 0.00 H new ATOM 372 N VAL A 25 1.721 -9.893 0.959 1.00 0.00 N ATOM 373 CA VAL A 25 1.637 -9.887 -0.498 1.00 0.00 C ATOM 374 C VAL A 25 2.538 -10.977 -1.091 1.00 0.00 C ATOM 375 O VAL A 25 2.069 -11.837 -1.837 1.00 0.00 O ATOM 376 CB VAL A 25 1.988 -8.485 -1.086 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.489 -8.228 -1.096 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.408 -8.337 -2.484 1.00 0.00 C ATOM 0 H VAL A 25 1.958 -8.993 1.376 1.00 0.00 H new ATOM 0 HA VAL A 25 0.606 -10.105 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 25 1.538 -7.735 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.686 -7.241 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.873 -8.274 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.984 -8.985 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.661 -7.354 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.822 -9.108 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.324 -8.443 -2.441 1.00 0.00 H new ATOM 388 N LYS A 26 3.821 -10.953 -0.736 1.00 0.00 N ATOM 389 CA LYS A 26 4.774 -11.948 -1.213 1.00 0.00 C ATOM 390 C LYS A 26 4.433 -13.342 -0.679 1.00 0.00 C ATOM 391 O LYS A 26 4.381 -14.310 -1.438 1.00 0.00 O ATOM 392 CB LYS A 26 6.191 -11.563 -0.777 1.00 0.00 C ATOM 393 CG LYS A 26 6.591 -10.148 -1.165 1.00 0.00 C ATOM 394 CD LYS A 26 7.702 -9.618 -0.273 1.00 0.00 C ATOM 395 CE LYS A 26 9.063 -10.122 -0.722 1.00 0.00 C ATOM 396 NZ LYS A 26 10.168 -9.524 0.077 1.00 0.00 N ATOM 0 H LYS A 26 4.224 -10.251 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 26 4.719 -11.975 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.269 -11.669 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.900 -12.264 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.920 -10.134 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.723 -9.492 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.693 -8.528 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.521 -9.925 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.096 -11.208 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.208 -9.885 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.080 -9.893 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.153 -8.490 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.044 -9.771 1.080 1.00 0.00 H new ATOM 410 N GLU A 27 4.213 -13.439 0.633 1.00 0.00 N ATOM 411 CA GLU A 27 3.889 -14.720 1.270 1.00 0.00 C ATOM 412 C GLU A 27 2.609 -15.326 0.701 1.00 0.00 C ATOM 413 O GLU A 27 2.523 -16.539 0.506 1.00 0.00 O ATOM 414 CB GLU A 27 3.751 -14.546 2.784 1.00 0.00 C ATOM 415 CG GLU A 27 3.446 -15.840 3.522 1.00 0.00 C ATOM 416 CD GLU A 27 4.618 -16.803 3.518 1.00 0.00 C ATOM 417 OE1 GLU A 27 5.772 -16.333 3.429 1.00 0.00 O ATOM 418 OE2 GLU A 27 4.381 -18.026 3.604 1.00 0.00 O ATOM 0 H GLU A 27 4.253 -12.648 1.276 1.00 0.00 H new ATOM 0 HA GLU A 27 4.710 -15.405 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.675 -14.122 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.958 -13.826 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.172 -15.611 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.583 -16.322 3.062 1.00 0.00 H new ATOM 425 N LEU A 28 1.614 -14.482 0.433 1.00 0.00 N ATOM 426 CA LEU A 28 0.342 -14.946 -0.119 1.00 0.00 C ATOM 427 C LEU A 28 0.558 -15.763 -1.392 1.00 0.00 C ATOM 428 O LEU A 28 -0.338 -16.477 -1.841 1.00 0.00 O ATOM 429 CB LEU A 28 -0.576 -13.756 -0.412 1.00 0.00 C ATOM 430 CG LEU A 28 -1.586 -13.433 0.690 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.760 -11.929 0.830 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.921 -14.101 0.401 1.00 0.00 C ATOM 0 H LEU A 28 1.664 -13.475 0.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.131 -15.589 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.041 -12.875 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.120 -13.954 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.203 -13.823 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.482 -11.718 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.803 -11.474 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.120 -11.515 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.628 -13.860 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.309 -13.741 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.784 -15.181 0.352 1.00 0.00 H new ATOM 444 N GLY A 29 1.752 -15.653 -1.969 1.00 0.00 N ATOM 445 CA GLY A 29 2.062 -16.388 -3.182 1.00 0.00 C ATOM 446 C GLY A 29 2.280 -15.477 -4.374 1.00 0.00 C ATOM 447 O GLY A 29 2.083 -15.885 -5.520 1.00 0.00 O ATOM 0 H GLY A 29 2.510 -15.068 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.957 -16.989 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.249 -17.080 -3.402 1.00 0.00 H new ATOM 451 N ILE A 30 2.693 -14.244 -4.104 1.00 0.00 N ATOM 452 CA ILE A 30 2.947 -13.267 -5.154 1.00 0.00 C ATOM 453 C ILE A 30 3.783 -12.110 -4.620 1.00 0.00 C ATOM 454 O ILE A 30 3.302 -11.296 -3.834 1.00 0.00 O ATOM 455 CB ILE A 30 1.637 -12.705 -5.748 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.647 -12.338 -4.635 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.020 -13.701 -6.720 1.00 0.00 C ATOM 458 CD1 ILE A 30 0.034 -13.530 -3.928 1.00 0.00 C ATOM 0 H ILE A 30 2.860 -13.896 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 30 3.492 -13.786 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 30 1.873 -11.795 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.159 -11.718 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.153 -11.732 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.098 -13.287 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.720 -13.898 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.800 -14.631 -6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.653 -13.182 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.509 -14.141 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.823 -14.126 -3.469 1.00 0.00 H new ATOM 470 N ASP A 31 5.034 -12.036 -5.054 1.00 0.00 N ATOM 471 CA ASP A 31 5.925 -10.975 -4.615 1.00 0.00 C ATOM 472 C ASP A 31 5.353 -9.624 -5.020 1.00 0.00 C ATOM 473 O ASP A 31 4.560 -9.537 -5.952 1.00 0.00 O ATOM 474 CB ASP A 31 7.322 -11.170 -5.217 1.00 0.00 C ATOM 475 CG ASP A 31 7.779 -12.617 -5.170 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.394 -13.012 -4.158 1.00 0.00 O ATOM 477 OD2 ASP A 31 7.523 -13.352 -6.147 1.00 0.00 O ATOM 0 H ASP A 31 5.452 -12.697 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 31 6.013 -11.009 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.319 -10.827 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.037 -10.549 -4.677 1.00 0.00 H new ATOM 482 N ALA A 32 5.749 -8.575 -4.318 1.00 0.00 N ATOM 483 CA ALA A 32 5.269 -7.242 -4.611 1.00 0.00 C ATOM 484 C ALA A 32 6.368 -6.238 -4.352 1.00 0.00 C ATOM 485 O ALA A 32 7.114 -6.358 -3.381 1.00 0.00 O ATOM 486 CB ALA A 32 4.045 -6.923 -3.771 1.00 0.00 C ATOM 0 H ALA A 32 6.405 -8.625 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 32 4.982 -7.189 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.696 -5.917 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.255 -7.641 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.304 -6.982 -2.714 1.00 0.00 H new ATOM 492 N GLU A 33 6.474 -5.251 -5.220 1.00 0.00 N ATOM 493 CA GLU A 33 7.498 -4.241 -5.063 1.00 0.00 C ATOM 494 C GLU A 33 6.886 -2.958 -4.530 1.00 0.00 C ATOM 495 O GLU A 33 6.030 -2.353 -5.174 1.00 0.00 O ATOM 496 CB GLU A 33 8.211 -3.977 -6.387 1.00 0.00 C ATOM 497 CG GLU A 33 8.957 -5.186 -6.928 1.00 0.00 C ATOM 498 CD GLU A 33 10.439 -5.147 -6.607 1.00 0.00 C ATOM 499 OE1 GLU A 33 10.799 -5.386 -5.434 1.00 0.00 O ATOM 500 OE2 GLU A 33 11.238 -4.878 -7.527 1.00 0.00 O ATOM 0 H GLU A 33 5.870 -5.128 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 33 8.235 -4.607 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.479 -3.652 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.915 -3.156 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.522 -6.094 -6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.824 -5.237 -8.009 1.00 0.00 H new ATOM 507 N PHE A 34 7.310 -2.557 -3.342 1.00 0.00 N ATOM 508 CA PHE A 34 6.778 -1.358 -2.721 1.00 0.00 C ATOM 509 C PHE A 34 7.688 -0.158 -2.924 1.00 0.00 C ATOM 510 O PHE A 34 8.763 -0.062 -2.331 1.00 0.00 O ATOM 511 CB PHE A 34 6.545 -1.598 -1.235 1.00 0.00 C ATOM 512 CG PHE A 34 5.603 -2.735 -0.968 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.988 -4.043 -1.214 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.328 -2.495 -0.485 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.118 -5.089 -0.980 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.455 -3.537 -0.250 1.00 0.00 C ATOM 517 CZ PHE A 34 3.850 -4.836 -0.497 1.00 0.00 C ATOM 0 H PHE A 34 8.018 -3.043 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 34 5.828 -1.131 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.500 -1.803 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.147 -0.689 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.979 -4.246 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.013 -1.480 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.429 -6.105 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.463 -3.336 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.168 -5.653 -0.313 1.00 0.00 H new ATOM 527 N GLU A 35 7.223 0.764 -3.752 1.00 0.00 N ATOM 528 CA GLU A 35 7.955 1.988 -4.036 1.00 0.00 C ATOM 529 C GLU A 35 7.182 3.176 -3.482 1.00 0.00 C ATOM 530 O GLU A 35 5.997 3.340 -3.771 1.00 0.00 O ATOM 531 CB GLU A 35 8.171 2.149 -5.542 1.00 0.00 C ATOM 532 CG GLU A 35 9.535 1.674 -6.015 1.00 0.00 C ATOM 533 CD GLU A 35 9.451 0.449 -6.904 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.254 0.615 -8.125 1.00 0.00 O ATOM 535 OE2 GLU A 35 9.585 -0.677 -6.379 1.00 0.00 O ATOM 0 H GLU A 35 6.333 0.686 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 35 8.933 1.938 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.398 1.594 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.049 3.199 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.027 2.480 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.157 1.448 -5.149 1.00 0.00 H new ATOM 542 N LYS A 36 7.844 3.992 -2.673 1.00 0.00 N ATOM 543 CA LYS A 36 7.193 5.150 -2.073 1.00 0.00 C ATOM 544 C LYS A 36 7.113 6.306 -3.061 1.00 0.00 C ATOM 545 O LYS A 36 7.950 6.440 -3.953 1.00 0.00 O ATOM 546 CB LYS A 36 7.926 5.587 -0.806 1.00 0.00 C ATOM 547 CG LYS A 36 8.486 4.429 0.010 1.00 0.00 C ATOM 548 CD LYS A 36 10.007 4.443 0.030 1.00 0.00 C ATOM 549 CE LYS A 36 10.582 3.055 -0.206 1.00 0.00 C ATOM 550 NZ LYS A 36 11.891 3.109 -0.913 1.00 0.00 N ATOM 0 H LYS A 36 8.825 3.876 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 36 6.178 4.859 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.743 6.254 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.242 6.162 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.107 4.486 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.136 3.485 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.375 5.125 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.355 4.824 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.706 2.546 0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.877 2.465 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.249 2.143 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.768 3.572 -1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.572 3.650 -0.343 1.00 0.00 H new ATOM 564 N ILE A 37 6.084 7.130 -2.900 1.00 0.00 N ATOM 565 CA ILE A 37 5.861 8.269 -3.780 1.00 0.00 C ATOM 566 C ILE A 37 5.777 9.560 -2.969 1.00 0.00 C ATOM 567 O ILE A 37 4.686 10.046 -2.670 1.00 0.00 O ATOM 568 CB ILE A 37 4.560 8.089 -4.607 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.788 6.845 -4.142 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.874 7.982 -6.088 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.550 5.553 -4.343 1.00 0.00 C ATOM 0 H ILE A 37 5.387 7.028 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 37 6.705 8.329 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 37 3.936 8.968 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.543 6.953 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.844 6.789 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.947 7.856 -6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.378 8.890 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.522 7.123 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.946 4.716 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.772 5.422 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.482 5.589 -3.779 1.00 0.00 H new ATOM 583 N LYS A 38 6.936 10.102 -2.603 1.00 0.00 N ATOM 584 CA LYS A 38 6.989 11.327 -1.813 1.00 0.00 C ATOM 585 C LYS A 38 6.781 12.560 -2.685 1.00 0.00 C ATOM 586 O LYS A 38 7.722 13.298 -2.979 1.00 0.00 O ATOM 587 CB LYS A 38 8.326 11.425 -1.076 1.00 0.00 C ATOM 588 CG LYS A 38 9.531 11.488 -2.000 1.00 0.00 C ATOM 589 CD LYS A 38 10.780 10.942 -1.325 1.00 0.00 C ATOM 590 CE LYS A 38 11.081 9.519 -1.769 1.00 0.00 C ATOM 591 NZ LYS A 38 12.298 9.449 -2.624 1.00 0.00 N ATOM 0 H LYS A 38 7.848 9.713 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 38 6.180 11.289 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.318 12.313 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.431 10.564 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.327 10.917 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.703 12.520 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.630 11.584 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.649 10.966 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.217 8.886 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.228 9.122 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.468 8.462 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.159 10.032 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.118 9.803 -2.091 1.00 0.00 H new ATOM 605 N GLU A 39 5.534 12.778 -3.084 1.00 0.00 N ATOM 606 CA GLU A 39 5.172 13.931 -3.917 1.00 0.00 C ATOM 607 C GLU A 39 3.708 13.849 -4.346 1.00 0.00 C ATOM 608 O GLU A 39 3.313 12.903 -5.026 1.00 0.00 O ATOM 609 CB GLU A 39 6.073 14.003 -5.155 1.00 0.00 C ATOM 610 CG GLU A 39 6.694 15.373 -5.373 1.00 0.00 C ATOM 611 CD GLU A 39 8.086 15.483 -4.780 1.00 0.00 C ATOM 612 OE1 GLU A 39 9.003 14.806 -5.288 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.257 16.247 -3.807 1.00 0.00 O ATOM 0 H GLU A 39 4.749 12.172 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 39 5.313 14.834 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.868 13.263 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.490 13.733 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.741 15.581 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.052 16.134 -4.928 1.00 0.00 H new ATOM 620 N MET A 40 2.904 14.843 -3.952 1.00 0.00 N ATOM 621 CA MET A 40 1.486 14.857 -4.302 1.00 0.00 C ATOM 622 C MET A 40 1.292 14.720 -5.802 1.00 0.00 C ATOM 623 O MET A 40 0.325 14.108 -6.252 1.00 0.00 O ATOM 624 CB MET A 40 0.821 16.140 -3.800 1.00 0.00 C ATOM 625 CG MET A 40 1.629 17.395 -4.084 1.00 0.00 C ATOM 626 SD MET A 40 0.609 18.881 -4.132 1.00 0.00 S ATOM 627 CE MET A 40 1.083 19.665 -2.592 1.00 0.00 C ATOM 0 H MET A 40 3.211 15.641 -3.395 1.00 0.00 H new ATOM 0 HA MET A 40 1.014 14.003 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.160 16.237 -4.265 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.658 16.058 -2.725 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.396 17.510 -3.318 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.145 17.282 -5.037 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.535 20.600 -2.476 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.849 19.002 -1.759 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.153 19.870 -2.603 1.00 0.00 H new ATOM 637 N ASP A 41 2.224 15.267 -6.580 1.00 0.00 N ATOM 638 CA ASP A 41 2.138 15.162 -8.029 1.00 0.00 C ATOM 639 C ASP A 41 1.933 13.701 -8.404 1.00 0.00 C ATOM 640 O ASP A 41 1.176 13.375 -9.316 1.00 0.00 O ATOM 641 CB ASP A 41 3.407 15.711 -8.687 1.00 0.00 C ATOM 642 CG ASP A 41 3.198 17.086 -9.288 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.847 18.017 -8.533 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.385 17.233 -10.514 1.00 0.00 O ATOM 0 H ASP A 41 3.035 15.780 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 41 1.295 15.754 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.205 15.759 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.736 15.023 -9.466 1.00 0.00 H new ATOM 649 N GLN A 42 2.597 12.829 -7.653 1.00 0.00 N ATOM 650 CA GLN A 42 2.482 11.395 -7.852 1.00 0.00 C ATOM 651 C GLN A 42 1.293 10.847 -7.064 1.00 0.00 C ATOM 652 O GLN A 42 0.633 9.902 -7.494 1.00 0.00 O ATOM 653 CB GLN A 42 3.768 10.690 -7.419 1.00 0.00 C ATOM 654 CG GLN A 42 4.955 10.975 -8.325 1.00 0.00 C ATOM 655 CD GLN A 42 5.077 9.975 -9.458 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.131 8.766 -9.232 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.121 10.477 -10.687 1.00 0.00 N ATOM 0 H GLN A 42 3.225 13.097 -6.895 1.00 0.00 H new ATOM 0 HA GLN A 42 2.321 11.205 -8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.016 10.997 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.592 9.615 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.858 11.978 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.870 10.962 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.073 11.486 -10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.203 9.853 -11.490 1.00 0.00 H new ATOM 666 N ILE A 43 1.032 11.448 -5.899 1.00 0.00 N ATOM 667 CA ILE A 43 -0.072 11.014 -5.049 1.00 0.00 C ATOM 668 C ILE A 43 -1.412 11.164 -5.758 1.00 0.00 C ATOM 669 O ILE A 43 -2.165 10.202 -5.900 1.00 0.00 O ATOM 670 CB ILE A 43 -0.114 11.788 -3.713 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.267 11.798 -3.053 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.135 11.163 -2.776 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.302 12.534 -1.730 1.00 0.00 C ATOM 0 H ILE A 43 1.569 12.232 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 43 0.105 9.960 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.407 12.817 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.593 10.770 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.983 12.258 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.155 11.717 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.121 11.196 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.861 10.126 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.312 12.500 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.008 13.572 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.612 12.061 -1.032 1.00 0.00 H new ATOM 685 N LEU A 44 -1.694 12.374 -6.209 1.00 0.00 N ATOM 686 CA LEU A 44 -2.941 12.659 -6.909 1.00 0.00 C ATOM 687 C LEU A 44 -3.027 11.865 -8.209 1.00 0.00 C ATOM 688 O LEU A 44 -4.101 11.401 -8.593 1.00 0.00 O ATOM 689 CB LEU A 44 -3.076 14.170 -7.164 1.00 0.00 C ATOM 690 CG LEU A 44 -2.839 14.649 -8.603 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.498 16.001 -8.826 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.349 14.729 -8.903 1.00 0.00 C ATOM 0 H LEU A 44 -1.076 13.179 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.774 12.347 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.077 14.478 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.374 14.689 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.288 13.926 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.321 16.327 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.571 15.916 -8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.075 16.730 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.202 15.070 -9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.877 15.431 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.900 13.743 -8.781 1.00 0.00 H new ATOM 704 N GLU A 45 -1.889 11.702 -8.879 1.00 0.00 N ATOM 705 CA GLU A 45 -1.845 10.950 -10.127 1.00 0.00 C ATOM 706 C GLU A 45 -2.380 9.540 -9.914 1.00 0.00 C ATOM 707 O GLU A 45 -2.868 8.900 -10.845 1.00 0.00 O ATOM 708 CB GLU A 45 -0.417 10.891 -10.666 1.00 0.00 C ATOM 709 CG GLU A 45 -0.342 10.687 -12.171 1.00 0.00 C ATOM 710 CD GLU A 45 0.886 9.902 -12.592 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.290 8.985 -11.845 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.444 10.203 -13.668 1.00 0.00 O ATOM 0 H GLU A 45 -0.990 12.079 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.474 11.459 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.099 11.816 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.116 10.079 -10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.237 10.164 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.335 11.658 -12.666 1.00 0.00 H new ATOM 719 N ALA A 46 -2.301 9.073 -8.672 1.00 0.00 N ATOM 720 CA ALA A 46 -2.792 7.753 -8.322 1.00 0.00 C ATOM 721 C ALA A 46 -4.309 7.754 -8.339 1.00 0.00 C ATOM 722 O ALA A 46 -4.940 6.806 -8.804 1.00 0.00 O ATOM 723 CB ALA A 46 -2.273 7.336 -6.953 1.00 0.00 C ATOM 0 H ALA A 46 -1.900 9.594 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.429 7.032 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.651 6.344 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.183 7.315 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.612 8.050 -6.202 1.00 0.00 H new ATOM 729 N GLY A 47 -4.890 8.840 -7.839 1.00 0.00 N ATOM 730 CA GLY A 47 -6.331 8.955 -7.819 1.00 0.00 C ATOM 731 C GLY A 47 -6.907 9.103 -6.423 1.00 0.00 C ATOM 732 O GLY A 47 -8.091 9.406 -6.273 1.00 0.00 O ATOM 0 H GLY A 47 -4.388 9.638 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.627 9.816 -8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.765 8.073 -8.291 1.00 0.00 H new ATOM 736 N LEU A 48 -6.086 8.892 -5.394 1.00 0.00 N ATOM 737 CA LEU A 48 -6.574 9.017 -4.023 1.00 0.00 C ATOM 738 C LEU A 48 -6.823 10.478 -3.662 1.00 0.00 C ATOM 739 O LEU A 48 -6.189 11.384 -4.202 1.00 0.00 O ATOM 740 CB LEU A 48 -5.618 8.373 -3.001 1.00 0.00 C ATOM 741 CG LEU A 48 -4.122 8.706 -3.107 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.376 7.602 -3.840 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.886 10.056 -3.767 1.00 0.00 C ATOM 0 H LEU A 48 -5.102 8.639 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.519 8.475 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.954 8.657 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.726 7.291 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.729 8.772 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.318 7.858 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.490 6.664 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.784 7.492 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.815 10.252 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.305 10.047 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.368 10.837 -3.180 1.00 0.00 H new ATOM 755 N THR A 49 -7.756 10.695 -2.743 1.00 0.00 N ATOM 756 CA THR A 49 -8.097 12.042 -2.301 1.00 0.00 C ATOM 757 C THR A 49 -7.508 12.329 -0.923 1.00 0.00 C ATOM 758 O THR A 49 -7.532 13.465 -0.450 1.00 0.00 O ATOM 759 CB THR A 49 -9.623 12.248 -2.251 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.928 13.514 -1.653 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.295 11.134 -1.463 1.00 0.00 C ATOM 0 H THR A 49 -8.291 9.955 -2.289 1.00 0.00 H new ATOM 0 HA THR A 49 -7.671 12.734 -3.028 1.00 0.00 H new ATOM 0 HB THR A 49 -10.003 12.228 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.095 13.977 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.372 11.302 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.086 10.175 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.909 11.125 -0.444 1.00 0.00 H new ATOM 769 N ALA A 50 -6.977 11.290 -0.289 1.00 0.00 N ATOM 770 CA ALA A 50 -6.377 11.417 1.028 1.00 0.00 C ATOM 771 C ALA A 50 -4.857 11.395 0.930 1.00 0.00 C ATOM 772 O ALA A 50 -4.299 11.332 -0.166 1.00 0.00 O ATOM 773 CB ALA A 50 -6.862 10.300 1.932 1.00 0.00 C ATOM 0 H ALA A 50 -6.951 10.345 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.679 12.373 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.406 10.405 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.947 10.354 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.582 9.338 1.503 1.00 0.00 H new ATOM 779 N LEU A 51 -4.187 11.461 2.075 1.00 0.00 N ATOM 780 CA LEU A 51 -2.732 11.460 2.097 1.00 0.00 C ATOM 781 C LEU A 51 -2.150 10.050 1.983 1.00 0.00 C ATOM 782 O LEU A 51 -1.458 9.738 1.015 1.00 0.00 O ATOM 783 CB LEU A 51 -2.218 12.146 3.367 1.00 0.00 C ATOM 784 CG LEU A 51 -1.446 13.445 3.134 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.706 14.432 4.260 1.00 0.00 C ATOM 786 CD2 LEU A 51 0.044 13.163 3.003 1.00 0.00 C ATOM 0 H LEU A 51 -4.626 11.516 2.994 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.397 12.019 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.067 12.358 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.573 11.449 3.902 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.796 13.890 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.148 15.350 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.771 14.658 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.386 13.997 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.578 14.099 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.407 12.694 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.215 12.494 2.160 1.00 0.00 H new ATOM 798 N PRO A 52 -2.405 9.180 2.974 1.00 0.00 N ATOM 799 CA PRO A 52 -1.880 7.810 2.971 1.00 0.00 C ATOM 800 C PRO A 52 -2.528 6.914 1.917 1.00 0.00 C ATOM 801 O PRO A 52 -3.065 5.854 2.238 1.00 0.00 O ATOM 802 CB PRO A 52 -2.206 7.303 4.379 1.00 0.00 C ATOM 803 CG PRO A 52 -3.382 8.108 4.805 1.00 0.00 C ATOM 804 CD PRO A 52 -3.206 9.463 4.178 1.00 0.00 C ATOM 0 HA PRO A 52 -0.818 7.793 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.436 6.238 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.363 7.443 5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.312 7.644 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.430 8.184 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.164 9.917 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.694 10.153 4.849 1.00 0.00 H new ATOM 812 N GLY A 53 -2.464 7.332 0.654 1.00 0.00 N ATOM 813 CA GLY A 53 -3.036 6.536 -0.413 1.00 0.00 C ATOM 814 C GLY A 53 -2.204 5.305 -0.708 1.00 0.00 C ATOM 815 O GLY A 53 -0.976 5.349 -0.639 1.00 0.00 O ATOM 0 H GLY A 53 -2.028 8.204 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.047 6.234 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.118 7.143 -1.315 1.00 0.00 H new ATOM 819 N LEU A 54 -2.867 4.203 -1.032 1.00 0.00 N ATOM 820 CA LEU A 54 -2.175 2.958 -1.334 1.00 0.00 C ATOM 821 C LEU A 54 -2.753 2.320 -2.587 1.00 0.00 C ATOM 822 O LEU A 54 -3.828 1.722 -2.546 1.00 0.00 O ATOM 823 CB LEU A 54 -2.289 1.992 -0.153 1.00 0.00 C ATOM 824 CG LEU A 54 -1.194 0.927 -0.070 1.00 0.00 C ATOM 825 CD1 LEU A 54 -1.131 0.121 -1.358 1.00 0.00 C ATOM 826 CD2 LEU A 54 0.153 1.568 0.228 1.00 0.00 C ATOM 0 H LEU A 54 -3.884 4.146 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.122 3.180 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.280 2.571 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.256 1.492 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.438 0.247 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.346 -0.631 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.089 -0.371 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.913 0.786 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.919 0.795 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.404 2.272 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.102 2.097 1.180 1.00 0.00 H new ATOM 838 N ALA A 55 -2.045 2.455 -3.705 1.00 0.00 N ATOM 839 CA ALA A 55 -2.518 1.888 -4.959 1.00 0.00 C ATOM 840 C ALA A 55 -1.742 0.632 -5.334 1.00 0.00 C ATOM 841 O ALA A 55 -0.514 0.651 -5.431 1.00 0.00 O ATOM 842 CB ALA A 55 -2.433 2.920 -6.073 1.00 0.00 C ATOM 0 H ALA A 55 -1.153 2.946 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.561 1.603 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.790 2.480 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.050 3.782 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.398 3.238 -6.196 1.00 0.00 H new ATOM 848 N VAL A 56 -2.470 -0.461 -5.544 1.00 0.00 N ATOM 849 CA VAL A 56 -1.858 -1.731 -5.910 1.00 0.00 C ATOM 850 C VAL A 56 -2.255 -2.153 -7.314 1.00 0.00 C ATOM 851 O VAL A 56 -3.407 -2.017 -7.716 1.00 0.00 O ATOM 852 CB VAL A 56 -2.235 -2.855 -4.929 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.176 -2.975 -3.853 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.609 -2.614 -4.317 1.00 0.00 C ATOM 0 H VAL A 56 -3.487 -0.491 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.780 -1.572 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.284 -3.794 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.449 -3.772 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.215 -3.206 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.101 -2.033 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.848 -3.424 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.606 -1.668 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.358 -2.577 -5.108 1.00 0.00 H new ATOM 864 N ASP A 57 -1.285 -2.665 -8.057 1.00 0.00 N ATOM 865 CA ASP A 57 -1.522 -3.110 -9.429 1.00 0.00 C ATOM 866 C ASP A 57 -2.311 -2.067 -10.223 1.00 0.00 C ATOM 867 O ASP A 57 -2.996 -2.399 -11.191 1.00 0.00 O ATOM 868 CB ASP A 57 -2.273 -4.444 -9.432 1.00 0.00 C ATOM 869 CG ASP A 57 -1.339 -5.635 -9.347 1.00 0.00 C ATOM 870 OD1 ASP A 57 -0.145 -5.434 -9.037 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.801 -6.770 -9.589 1.00 0.00 O ATOM 0 H ASP A 57 -0.324 -2.784 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.552 -3.242 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.966 -4.469 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.871 -4.519 -10.340 1.00 0.00 H new ATOM 876 N GLY A 58 -2.207 -0.805 -9.809 1.00 0.00 N ATOM 877 CA GLY A 58 -2.911 0.264 -10.494 1.00 0.00 C ATOM 878 C GLY A 58 -4.324 0.469 -9.984 1.00 0.00 C ATOM 879 O GLY A 58 -5.170 1.017 -10.692 1.00 0.00 O ATOM 0 H GLY A 58 -1.647 -0.505 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.351 1.192 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.945 0.043 -11.561 1.00 0.00 H new ATOM 883 N GLU A 59 -4.585 0.036 -8.756 1.00 0.00 N ATOM 884 CA GLU A 59 -5.909 0.188 -8.166 1.00 0.00 C ATOM 885 C GLU A 59 -5.807 0.640 -6.710 1.00 0.00 C ATOM 886 O GLU A 59 -5.412 -0.125 -5.831 1.00 0.00 O ATOM 887 CB GLU A 59 -6.709 -1.120 -8.284 1.00 0.00 C ATOM 888 CG GLU A 59 -6.414 -2.146 -7.197 1.00 0.00 C ATOM 889 CD GLU A 59 -6.660 -3.569 -7.657 1.00 0.00 C ATOM 890 OE1 GLU A 59 -7.665 -3.800 -8.363 1.00 0.00 O ATOM 891 OE2 GLU A 59 -5.849 -4.454 -7.310 1.00 0.00 O ATOM 0 H GLU A 59 -3.901 -0.421 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.443 0.961 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.773 -0.883 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.503 -1.570 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.376 -2.045 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.036 -1.937 -6.327 1.00 0.00 H new ATOM 898 N LEU A 60 -6.165 1.894 -6.468 1.00 0.00 N ATOM 899 CA LEU A 60 -6.112 2.452 -5.117 1.00 0.00 C ATOM 900 C LEU A 60 -7.386 2.135 -4.349 1.00 0.00 C ATOM 901 O LEU A 60 -8.494 2.329 -4.849 1.00 0.00 O ATOM 902 CB LEU A 60 -5.877 3.970 -5.142 1.00 0.00 C ATOM 903 CG LEU A 60 -6.205 4.675 -6.458 1.00 0.00 C ATOM 904 CD1 LEU A 60 -6.438 6.157 -6.222 1.00 0.00 C ATOM 905 CD2 LEU A 60 -5.087 4.461 -7.468 1.00 0.00 C ATOM 0 H LEU A 60 -6.494 2.543 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.268 1.986 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.474 4.424 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.831 4.160 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.121 4.245 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.670 6.644 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.271 6.289 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.540 6.603 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.336 4.969 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.156 4.866 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.967 3.394 -7.658 1.00 0.00 H new ATOM 917 N LYS A 61 -7.214 1.639 -3.130 1.00 0.00 N ATOM 918 CA LYS A 61 -8.346 1.286 -2.284 1.00 0.00 C ATOM 919 C LYS A 61 -8.136 1.750 -0.843 1.00 0.00 C ATOM 920 O LYS A 61 -8.975 1.498 0.020 1.00 0.00 O ATOM 921 CB LYS A 61 -8.575 -0.226 -2.310 1.00 0.00 C ATOM 922 CG LYS A 61 -8.549 -0.821 -3.707 1.00 0.00 C ATOM 923 CD LYS A 61 -9.202 -2.194 -3.737 1.00 0.00 C ATOM 924 CE LYS A 61 -10.719 -2.091 -3.715 1.00 0.00 C ATOM 925 NZ LYS A 61 -11.273 -2.346 -2.356 1.00 0.00 N ATOM 0 H LYS A 61 -6.302 1.472 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.225 1.795 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.811 -0.711 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.537 -0.447 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.066 -0.155 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.518 -0.899 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.886 -2.729 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.864 -2.778 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.020 -1.098 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.142 -2.807 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.762 -3.264 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.498 -2.359 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.946 -1.593 -2.109 1.00 0.00 H new ATOM 939 N ILE A 62 -7.020 2.430 -0.583 1.00 0.00 N ATOM 940 CA ILE A 62 -6.734 2.916 0.762 1.00 0.00 C ATOM 941 C ILE A 62 -6.401 4.399 0.737 1.00 0.00 C ATOM 942 O ILE A 62 -5.483 4.821 0.037 1.00 0.00 O ATOM 943 CB ILE A 62 -5.567 2.144 1.408 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.676 0.649 1.098 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.550 2.380 2.910 1.00 0.00 C ATOM 946 CD1 ILE A 62 -4.470 -0.151 1.538 1.00 0.00 C ATOM 0 H ILE A 62 -6.308 2.654 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.631 2.753 1.359 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.630 2.511 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.565 0.249 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.816 0.518 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.721 1.830 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.428 3.445 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.489 2.035 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.618 -1.201 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.581 0.222 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.341 -0.051 2.616 1.00 0.00 H new ATOM 958 N MET A 63 -7.161 5.193 1.486 1.00 0.00 N ATOM 959 CA MET A 63 -6.942 6.633 1.523 1.00 0.00 C ATOM 960 C MET A 63 -7.240 7.220 2.899 1.00 0.00 C ATOM 961 O MET A 63 -8.299 6.968 3.475 1.00 0.00 O ATOM 962 CB MET A 63 -7.818 7.313 0.474 1.00 0.00 C ATOM 963 CG MET A 63 -7.380 7.033 -0.950 1.00 0.00 C ATOM 964 SD MET A 63 -8.281 5.662 -1.699 1.00 0.00 S ATOM 965 CE MET A 63 -9.497 6.546 -2.675 1.00 0.00 C ATOM 0 H MET A 63 -7.929 4.865 2.072 1.00 0.00 H new ATOM 0 HA MET A 63 -5.889 6.814 1.306 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.848 6.981 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.807 8.390 0.645 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.524 7.930 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.313 6.810 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.390 5.932 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.758 7.478 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.083 6.767 -3.659 1.00 0.00 H new ATOM 975 N GLY A 64 -6.309 8.020 3.413 1.00 0.00 N ATOM 976 CA GLY A 64 -6.505 8.646 4.710 1.00 0.00 C ATOM 977 C GLY A 64 -6.362 7.679 5.866 1.00 0.00 C ATOM 978 O GLY A 64 -6.623 8.034 7.015 1.00 0.00 O ATOM 0 H GLY A 64 -5.425 8.245 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.783 9.454 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.497 9.097 4.742 1.00 0.00 H new ATOM 982 N ARG A 65 -5.948 6.454 5.566 1.00 0.00 N ATOM 983 CA ARG A 65 -5.774 5.437 6.595 1.00 0.00 C ATOM 984 C ARG A 65 -5.322 4.123 5.978 1.00 0.00 C ATOM 985 O ARG A 65 -6.126 3.386 5.407 1.00 0.00 O ATOM 986 CB ARG A 65 -7.079 5.228 7.368 1.00 0.00 C ATOM 987 CG ARG A 65 -6.884 5.107 8.872 1.00 0.00 C ATOM 988 CD ARG A 65 -8.195 5.289 9.619 1.00 0.00 C ATOM 989 NE ARG A 65 -8.903 4.025 9.800 1.00 0.00 N ATOM 990 CZ ARG A 65 -8.515 3.072 10.644 1.00 0.00 C ATOM 991 NH1 ARG A 65 -7.426 3.236 11.384 1.00 0.00 N ATOM 992 NH2 ARG A 65 -9.217 1.953 10.749 1.00 0.00 N ATOM 0 H ARG A 65 -5.727 6.141 4.621 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.006 5.782 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.750 6.062 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.569 4.327 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.462 4.130 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.165 5.854 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.998 5.736 10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.830 5.985 9.071 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.745 3.863 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.882 4.095 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.133 2.503 12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.055 1.822 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.919 1.223 11.396 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.032 3.832 6.093 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.484 2.604 5.538 1.00 0.00 C ATOM 1008 C VAL A 66 -4.195 1.383 6.124 1.00 0.00 C ATOM 1009 O VAL A 66 -4.644 1.407 7.270 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.963 2.499 5.782 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.655 2.029 7.199 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.326 1.575 4.758 1.00 0.00 C ATOM 0 H VAL A 66 -3.350 4.427 6.563 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.652 2.630 4.461 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.536 3.495 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.575 1.967 7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.071 2.737 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.098 1.047 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.254 1.511 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.768 0.582 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.499 1.968 3.756 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.304 0.324 5.330 1.00 0.00 N ATOM 1023 CA ALA A 67 -4.971 -0.895 5.771 1.00 0.00 C ATOM 1024 C ALA A 67 -4.213 -1.563 6.913 1.00 0.00 C ATOM 1025 O ALA A 67 -3.115 -1.141 7.276 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.130 -1.861 4.607 1.00 0.00 C ATOM 0 H ALA A 67 -3.939 0.285 4.378 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.958 -0.620 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.630 -2.767 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.727 -1.393 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.148 -2.117 4.210 1.00 0.00 H new ATOM 1032 N SER A 68 -4.809 -2.611 7.471 1.00 0.00 N ATOM 1033 CA SER A 68 -4.196 -3.348 8.570 1.00 0.00 C ATOM 1034 C SER A 68 -3.754 -4.734 8.107 1.00 0.00 C ATOM 1035 O SER A 68 -4.244 -5.248 7.103 1.00 0.00 O ATOM 1036 CB SER A 68 -5.176 -3.473 9.739 1.00 0.00 C ATOM 1037 OG SER A 68 -4.796 -2.633 10.815 1.00 0.00 O ATOM 0 H SER A 68 -5.718 -2.970 7.179 1.00 0.00 H new ATOM 0 HA SER A 68 -3.317 -2.796 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.180 -3.210 9.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.213 -4.508 10.077 1.00 0.00 H new ATOM 0 HG SER A 68 -5.439 -2.730 11.548 1.00 0.00 H new ATOM 1043 N LYS A 69 -2.822 -5.333 8.843 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.312 -6.659 8.503 1.00 0.00 C ATOM 1045 C LYS A 69 -3.449 -7.661 8.321 1.00 0.00 C ATOM 1046 O LYS A 69 -3.490 -8.395 7.334 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.348 -7.154 9.585 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.834 -6.895 11.003 1.00 0.00 C ATOM 1049 CD LYS A 69 -2.132 -8.193 11.739 1.00 0.00 C ATOM 1050 CE LYS A 69 -2.985 -7.950 12.974 1.00 0.00 C ATOM 1051 NZ LYS A 69 -2.492 -6.794 13.772 1.00 0.00 N ATOM 0 H LYS A 69 -2.404 -4.922 9.678 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.776 -6.576 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.189 -8.224 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.382 -6.669 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.078 -6.331 11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.732 -6.278 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.647 -8.882 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.196 -8.671 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.017 -7.769 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.987 -8.845 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.953 -6.794 14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.462 -6.871 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.716 -5.908 13.275 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.371 -7.686 9.279 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.507 -8.598 9.219 1.00 0.00 C ATOM 1067 C GLU A 70 -6.388 -8.292 8.012 1.00 0.00 C ATOM 1068 O GLU A 70 -6.967 -9.195 7.408 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.330 -8.507 10.505 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.719 -9.861 11.075 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.699 -9.750 12.227 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.252 -8.649 12.434 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -7.914 -10.765 12.923 1.00 0.00 O ATOM 0 H GLU A 70 -4.353 -7.086 10.104 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.122 -9.612 9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.759 -7.957 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.235 -7.932 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.160 -10.470 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.822 -10.379 11.415 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.485 -7.013 7.666 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.295 -6.586 6.532 1.00 0.00 C ATOM 1082 C GLU A 71 -6.723 -7.122 5.223 1.00 0.00 C ATOM 1083 O GLU A 71 -7.463 -7.583 4.353 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.374 -5.059 6.482 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.621 -4.493 7.141 1.00 0.00 C ATOM 1086 CD GLU A 71 -8.757 -4.918 8.590 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -7.724 -4.987 9.288 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -9.898 -5.181 9.026 1.00 0.00 O ATOM 0 H GLU A 71 -6.012 -6.253 8.156 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.299 -6.990 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.494 -4.642 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.344 -4.736 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.595 -3.405 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.501 -4.819 6.586 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.402 -7.058 5.089 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.730 -7.538 3.886 1.00 0.00 C ATOM 1097 C ILE A 72 -5.077 -9.000 3.612 1.00 0.00 C ATOM 1098 O ILE A 72 -5.550 -9.343 2.529 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.199 -7.391 4.004 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.823 -5.926 4.239 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.507 -7.925 2.756 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.133 -5.025 3.063 1.00 0.00 C ATOM 0 H ILE A 72 -4.775 -6.678 5.799 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.081 -6.925 3.056 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.862 -7.979 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.355 -5.559 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.758 -5.864 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.428 -7.811 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.750 -8.980 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.847 -7.366 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.840 -4.002 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.580 -5.366 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.202 -5.057 2.852 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.842 -9.855 4.601 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.131 -11.278 4.463 1.00 0.00 C ATOM 1116 C LYS A 73 -6.606 -11.506 4.149 1.00 0.00 C ATOM 1117 O LYS A 73 -6.956 -12.400 3.377 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.748 -12.023 5.743 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.203 -13.420 5.493 1.00 0.00 C ATOM 1120 CD LYS A 73 -4.687 -14.406 6.545 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.620 -14.672 7.593 1.00 0.00 C ATOM 1122 NZ LYS A 73 -3.818 -15.986 8.265 1.00 0.00 N ATOM 0 H LYS A 73 -4.453 -9.589 5.505 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.539 -11.665 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.000 -11.441 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.624 -12.094 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.512 -13.760 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.113 -13.392 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.582 -14.014 7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.968 -15.343 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.636 -14.649 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.637 -13.877 8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.070 -16.130 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.746 -16.000 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.777 -16.747 7.558 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.468 -10.696 4.755 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.907 -10.810 4.544 1.00 0.00 C ATOM 1138 C LYS A 74 -9.309 -10.271 3.173 1.00 0.00 C ATOM 1139 O LYS A 74 -10.262 -10.753 2.563 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.663 -10.061 5.643 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.775 -10.878 6.282 1.00 0.00 C ATOM 1142 CD LYS A 74 -10.524 -11.103 7.764 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.825 -11.293 8.528 1.00 0.00 C ATOM 1144 NZ LYS A 74 -12.577 -10.015 8.671 1.00 0.00 N ATOM 0 H LYS A 74 -7.195 -9.952 5.397 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.170 -11.867 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.957 -9.757 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.088 -9.149 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.727 -10.365 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.857 -11.840 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.891 -11.980 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.981 -10.252 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.446 -12.024 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.610 -11.700 9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.290 -10.114 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.917 -9.250 8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.050 -9.788 7.773 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.578 -9.269 2.695 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.862 -8.670 1.399 1.00 0.00 C ATOM 1160 C ILE A 75 -8.381 -9.574 0.271 1.00 0.00 C ATOM 1161 O ILE A 75 -8.945 -9.577 -0.823 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.218 -7.261 1.271 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.175 -6.307 0.552 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -6.879 -7.319 0.543 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -9.248 -4.934 1.186 1.00 0.00 C ATOM 0 H ILE A 75 -7.785 -8.856 3.187 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.943 -8.555 1.320 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.030 -6.887 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.860 -6.203 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.172 -6.746 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.459 -6.316 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.193 -7.962 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.027 -7.721 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.944 -4.311 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.593 -5.027 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.260 -4.475 1.174 1.00 0.00 H new ATOM 1177 N LEU A 76 -7.329 -10.338 0.546 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.768 -11.243 -0.445 1.00 0.00 C ATOM 1179 C LEU A 76 -7.079 -12.697 -0.097 1.00 0.00 C ATOM 1180 O LEU A 76 -7.924 -13.330 -0.730 1.00 0.00 O ATOM 1181 CB LEU A 76 -5.254 -11.038 -0.554 1.00 0.00 C ATOM 1182 CG LEU A 76 -4.743 -10.734 -1.964 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -5.414 -9.487 -2.517 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -3.231 -10.569 -1.957 1.00 0.00 C ATOM 0 H LEU A 76 -6.850 -10.347 1.446 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.227 -11.018 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.965 -10.220 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.754 -11.934 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.995 -11.574 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.038 -9.286 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.492 -9.642 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.193 -8.638 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.884 -10.353 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.958 -9.746 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.766 -11.489 -1.602 1.00 0.00 H new ATOM 1196 N SER A 77 -6.389 -13.221 0.911 1.00 0.00 N ATOM 1197 CA SER A 77 -6.592 -14.600 1.340 1.00 0.00 C ATOM 1198 C SER A 77 -6.250 -15.575 0.218 1.00 0.00 C ATOM 1199 O SER A 77 -6.088 -15.117 -0.933 1.00 0.00 O ATOM 1200 CB SER A 77 -8.039 -14.810 1.791 1.00 0.00 C ATOM 1201 OG SER A 77 -8.177 -16.014 2.525 1.00 0.00 O ATOM 1202 OXT SER A 77 -6.146 -16.787 0.500 1.00 0.00 O ATOM 0 H SER A 77 -5.685 -12.712 1.446 1.00 0.00 H new ATOM 0 HA SER A 77 -5.926 -14.793 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.357 -13.968 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.694 -14.835 0.920 1.00 0.00 H new ATOM 0 HG SER A 77 -7.608 -16.706 2.128 1.00 0.00 H new TER 1208 SER A 77