USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 169:sc= 0.54 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0.508 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00706) USER MOD Single : A 2 ASN : amide:sc= -0.0268 K(o=-0.027,f=-5.9!) USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= 0.512 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.2) USER MOD Single : A 17 THR OG1 : rot 123:sc= 0.885 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 65:sc= 0.869 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0388 USER MOD Single : A 35 SER OG : rot 180:sc= 0.995 USER MOD Single : A 38 SER OG : rot 1:sc= -0.227 USER MOD Single : A 40 GLN : amide:sc= -0.871 K(o=-0.87,f=-3.2!) USER MOD Single : A 42 MET CE :methyl -138:sc= -0.692 (180deg=-2.49!) USER MOD Single : A 56 ASN : amide:sc= -0.745 K(o=-0.75,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 145:sc= 0.963 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0.495 (180deg=0.348) USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.553 USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= 1.23 (180deg=-0.558) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.961 0.077 11.343 1.00 0.00 N ATOM 2 CA MET A 1 1.755 0.041 10.093 1.00 0.00 C ATOM 3 C MET A 1 1.129 -0.908 9.069 1.00 0.00 C ATOM 4 O MET A 1 0.751 -0.487 7.979 1.00 0.00 O ATOM 5 CB MET A 1 3.201 -0.399 10.365 1.00 0.00 C ATOM 6 CG MET A 1 4.087 -0.368 9.122 1.00 0.00 C ATOM 7 SD MET A 1 5.536 -1.437 9.260 1.00 0.00 S ATOM 8 CE MET A 1 6.416 -0.682 10.625 1.00 0.00 C ATOM 0 H1 MET A 1 1.498 0.575 12.081 1.00 0.00 H new ATOM 0 H2 MET A 1 0.065 0.576 11.171 1.00 0.00 H new ATOM 0 H3 MET A 1 0.762 -0.895 11.656 1.00 0.00 H new ATOM 0 HA MET A 1 1.759 1.054 9.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.633 0.250 11.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.195 -1.410 10.773 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.499 -0.672 8.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.414 0.656 8.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.349 -1.218 10.797 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.634 0.359 10.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.801 -0.727 11.524 1.00 0.00 H new ATOM 17 N ASN A 2 1.015 -2.189 9.431 1.00 0.00 N ATOM 18 CA ASN A 2 0.551 -3.225 8.501 1.00 0.00 C ATOM 19 C ASN A 2 -0.834 -2.897 7.939 1.00 0.00 C ATOM 20 O ASN A 2 -1.054 -2.972 6.729 1.00 0.00 O ATOM 21 CB ASN A 2 0.546 -4.611 9.179 1.00 0.00 C ATOM 22 CG ASN A 2 -0.422 -4.717 10.351 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.702 -3.732 11.037 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.933 -5.914 10.595 1.00 0.00 N ATOM 0 H ASN A 2 1.238 -2.535 10.364 1.00 0.00 H new ATOM 0 HA ASN A 2 1.251 -3.251 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.289 -5.367 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.553 -4.838 9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.581 -6.043 11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.679 -6.707 10.006 1.00 0.00 H new ATOM 31 N ALA A 3 -1.756 -2.512 8.817 1.00 0.00 N ATOM 32 CA ALA A 3 -3.102 -2.129 8.401 1.00 0.00 C ATOM 33 C ALA A 3 -3.084 -0.713 7.834 1.00 0.00 C ATOM 34 O ALA A 3 -3.839 -0.385 6.917 1.00 0.00 O ATOM 35 CB ALA A 3 -4.073 -2.232 9.574 1.00 0.00 C ATOM 0 H ALA A 3 -1.595 -2.457 9.823 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.442 -2.812 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.072 -1.943 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.094 -3.259 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.748 -1.568 10.375 1.00 0.00 H new ATOM 41 N THR A 4 -2.189 0.105 8.382 1.00 0.00 N ATOM 42 CA THR A 4 -1.993 1.481 7.941 1.00 0.00 C ATOM 43 C THR A 4 -1.765 1.543 6.427 1.00 0.00 C ATOM 44 O THR A 4 -2.285 2.427 5.741 1.00 0.00 O ATOM 45 CB THR A 4 -0.778 2.097 8.671 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.917 1.911 10.088 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.627 3.578 8.361 1.00 0.00 C ATOM 0 H THR A 4 -1.576 -0.171 9.149 1.00 0.00 H new ATOM 0 HA THR A 4 -2.893 2.048 8.181 1.00 0.00 H new ATOM 0 HB THR A 4 0.118 1.587 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.144 2.301 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.238 3.975 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.487 3.713 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.524 4.110 8.679 1.00 0.00 H new ATOM 55 N ILE A 5 -0.997 0.580 5.923 1.00 0.00 N ATOM 56 CA ILE A 5 -0.700 0.480 4.497 1.00 0.00 C ATOM 57 C ILE A 5 -1.982 0.476 3.666 1.00 0.00 C ATOM 58 O ILE A 5 -2.192 1.356 2.842 1.00 0.00 O ATOM 59 CB ILE A 5 0.119 -0.797 4.176 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.442 -0.797 4.961 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.382 -0.904 2.670 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.205 -2.103 4.880 1.00 0.00 C ATOM 0 H ILE A 5 -0.565 -0.150 6.489 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.106 1.356 4.236 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.462 -1.667 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.076 0.006 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.232 -0.575 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.958 -1.806 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.568 -0.950 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.943 -0.031 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.125 -2.023 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.591 -2.909 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.448 -2.318 3.840 1.00 0.00 H new ATOM 74 N ARG A 6 -2.850 -0.505 3.900 1.00 0.00 N ATOM 75 CA ARG A 6 -4.083 -0.621 3.121 1.00 0.00 C ATOM 76 C ARG A 6 -5.058 0.497 3.495 1.00 0.00 C ATOM 77 O ARG A 6 -5.901 0.896 2.690 1.00 0.00 O ATOM 78 CB ARG A 6 -4.721 -2.014 3.307 1.00 0.00 C ATOM 79 CG ARG A 6 -5.268 -2.309 4.709 1.00 0.00 C ATOM 80 CD ARG A 6 -6.729 -1.883 4.867 1.00 0.00 C ATOM 81 NE ARG A 6 -7.256 -2.212 6.193 1.00 0.00 N ATOM 82 CZ ARG A 6 -8.404 -2.860 6.409 1.00 0.00 C ATOM 83 NH1 ARG A 6 -9.153 -3.260 5.388 1.00 0.00 N ATOM 84 NH2 ARG A 6 -8.802 -3.113 7.649 1.00 0.00 N ATOM 0 H ARG A 6 -2.727 -1.224 4.613 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.838 -0.512 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.534 -2.120 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.977 -2.771 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.179 -3.376 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.659 -1.791 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.814 -0.809 4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.334 -2.373 4.104 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.710 -1.927 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.853 -3.073 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.028 -3.754 5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.231 -2.813 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.679 -3.608 7.812 1.00 0.00 H new ATOM 98 N GLU A 7 -4.915 1.009 4.715 1.00 0.00 N ATOM 99 CA GLU A 7 -5.774 2.076 5.221 1.00 0.00 C ATOM 100 C GLU A 7 -5.597 3.351 4.398 1.00 0.00 C ATOM 101 O GLU A 7 -6.574 4.024 4.058 1.00 0.00 O ATOM 102 CB GLU A 7 -5.459 2.352 6.700 1.00 0.00 C ATOM 103 CG GLU A 7 -6.365 3.393 7.349 1.00 0.00 C ATOM 104 CD GLU A 7 -5.976 3.692 8.790 1.00 0.00 C ATOM 105 OE1 GLU A 7 -6.228 2.839 9.672 1.00 0.00 O ATOM 106 OE2 GLU A 7 -5.423 4.784 9.051 1.00 0.00 O ATOM 0 H GLU A 7 -4.204 0.698 5.377 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.811 1.753 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.540 1.419 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.424 2.685 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.328 4.314 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.396 3.040 7.321 1.00 0.00 H new ATOM 113 N ILE A 8 -4.347 3.679 4.062 1.00 0.00 N ATOM 114 CA ILE A 8 -4.064 4.916 3.347 1.00 0.00 C ATOM 115 C ILE A 8 -4.707 4.909 1.957 1.00 0.00 C ATOM 116 O ILE A 8 -5.127 5.954 1.457 1.00 0.00 O ATOM 117 CB ILE A 8 -2.547 5.219 3.218 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.354 6.675 2.776 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.869 4.268 2.236 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.916 7.071 2.576 1.00 0.00 C ATOM 0 H ILE A 8 -3.527 3.110 4.272 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.502 5.711 3.950 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.080 5.069 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.897 6.836 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.800 7.332 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.808 4.509 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.987 3.242 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.327 4.374 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.866 8.114 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.370 6.945 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.469 6.441 1.807 1.00 0.00 H new ATOM 132 N LEU A 9 -4.796 3.730 1.339 1.00 0.00 N ATOM 133 CA LEU A 9 -5.377 3.606 -0.001 1.00 0.00 C ATOM 134 C LEU A 9 -6.806 4.144 -0.037 1.00 0.00 C ATOM 135 O LEU A 9 -7.263 4.632 -1.066 1.00 0.00 O ATOM 136 CB LEU A 9 -5.358 2.146 -0.493 1.00 0.00 C ATOM 137 CG LEU A 9 -4.013 1.640 -1.050 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.548 2.501 -2.220 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.950 1.598 0.038 1.00 0.00 C ATOM 0 H LEU A 9 -4.475 2.850 1.742 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.759 4.205 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.652 1.500 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.115 2.035 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.167 0.624 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.597 2.123 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.292 2.465 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.423 3.531 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.012 1.237 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.804 2.599 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.271 0.927 0.835 1.00 0.00 H new ATOM 151 N ALA A 10 -7.503 4.063 1.092 1.00 0.00 N ATOM 152 CA ALA A 10 -8.896 4.505 1.172 1.00 0.00 C ATOM 153 C ALA A 10 -9.004 6.031 1.192 1.00 0.00 C ATOM 154 O ALA A 10 -9.986 6.602 0.709 1.00 0.00 O ATOM 155 CB ALA A 10 -9.565 3.906 2.406 1.00 0.00 C ATOM 0 H ALA A 10 -7.128 3.695 1.966 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.412 4.152 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.601 4.241 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.538 2.818 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.035 4.231 3.301 1.00 0.00 H new ATOM 161 N LYS A 11 -7.988 6.688 1.745 1.00 0.00 N ATOM 162 CA LYS A 11 -8.037 8.136 1.972 1.00 0.00 C ATOM 163 C LYS A 11 -7.074 8.910 1.059 1.00 0.00 C ATOM 164 O LYS A 11 -7.191 10.129 0.921 1.00 0.00 O ATOM 165 CB LYS A 11 -7.752 8.431 3.455 1.00 0.00 C ATOM 166 CG LYS A 11 -6.488 7.763 3.998 1.00 0.00 C ATOM 167 CD LYS A 11 -6.352 7.938 5.511 1.00 0.00 C ATOM 168 CE LYS A 11 -5.094 7.264 6.052 1.00 0.00 C ATOM 169 NZ LYS A 11 -4.989 7.377 7.531 1.00 0.00 N ATOM 0 H LYS A 11 -7.120 6.244 2.045 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.039 8.482 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.665 9.509 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.605 8.104 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.507 6.700 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.613 8.186 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.327 9.001 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.229 7.520 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.097 6.211 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.215 7.715 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.050 7.744 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.721 8.027 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.122 6.440 7.961 1.00 0.00 H new ATOM 183 N PHE A 12 -6.124 8.210 0.442 1.00 0.00 N ATOM 184 CA PHE A 12 -5.160 8.845 -0.471 1.00 0.00 C ATOM 185 C PHE A 12 -5.090 8.120 -1.816 1.00 0.00 C ATOM 186 O PHE A 12 -4.916 8.750 -2.859 1.00 0.00 O ATOM 187 CB PHE A 12 -3.760 8.901 0.166 1.00 0.00 C ATOM 188 CG PHE A 12 -3.589 10.026 1.163 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.215 11.296 0.737 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.807 9.821 2.517 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.061 12.329 1.643 1.00 0.00 C ATOM 192 CE2 PHE A 12 -3.653 10.852 3.426 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.281 12.107 2.988 1.00 0.00 C ATOM 0 H PHE A 12 -5.997 7.204 0.554 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.511 9.861 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.559 7.953 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.016 9.011 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.043 11.477 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.101 8.842 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.769 13.310 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.824 10.675 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.162 12.914 3.696 1.00 0.00 H new ATOM 203 N GLY A 13 -5.215 6.798 -1.783 1.00 0.00 N ATOM 204 CA GLY A 13 -5.089 6.000 -2.993 1.00 0.00 C ATOM 205 C GLY A 13 -6.188 6.285 -4.001 1.00 0.00 C ATOM 206 O GLY A 13 -7.375 6.177 -3.682 1.00 0.00 O ATOM 0 H GLY A 13 -5.402 6.261 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.120 6.196 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.109 4.943 -2.729 1.00 0.00 H new ATOM 210 N GLN A 14 -5.792 6.649 -5.221 1.00 0.00 N ATOM 211 CA GLN A 14 -6.744 6.931 -6.298 1.00 0.00 C ATOM 212 C GLN A 14 -7.292 5.630 -6.890 1.00 0.00 C ATOM 213 O GLN A 14 -7.044 5.300 -8.054 1.00 0.00 O ATOM 214 CB GLN A 14 -6.087 7.783 -7.393 1.00 0.00 C ATOM 215 CG GLN A 14 -5.631 9.159 -6.918 1.00 0.00 C ATOM 216 CD GLN A 14 -6.767 9.991 -6.346 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.039 9.955 -5.146 1.00 0.00 O ATOM 218 NE2 GLN A 14 -7.444 10.742 -7.201 1.00 0.00 N ATOM 0 H GLN A 14 -4.814 6.756 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.576 7.494 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.227 7.244 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.793 7.909 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.857 9.039 -6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.179 9.695 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.189 10.746 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.220 11.316 -6.872 1.00 0.00 H new ATOM 227 N LEU A 15 -8.007 4.883 -6.061 1.00 0.00 N ATOM 228 CA LEU A 15 -8.627 3.627 -6.467 1.00 0.00 C ATOM 229 C LEU A 15 -10.077 3.886 -6.904 1.00 0.00 C ATOM 230 O LEU A 15 -10.830 4.553 -6.190 1.00 0.00 O ATOM 231 CB LEU A 15 -8.584 2.631 -5.290 1.00 0.00 C ATOM 232 CG LEU A 15 -8.929 1.168 -5.627 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.912 0.582 -6.597 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.994 0.321 -4.357 1.00 0.00 C ATOM 0 H LEU A 15 -8.175 5.130 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.081 3.200 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.585 2.656 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.275 2.978 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.909 1.156 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.176 -0.452 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.911 1.164 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.920 0.614 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.239 -0.708 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.028 0.347 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.761 0.719 -3.693 1.00 0.00 H new ATOM 246 N PRO A 16 -10.493 3.374 -8.081 1.00 0.00 N ATOM 247 CA PRO A 16 -11.861 3.564 -8.582 1.00 0.00 C ATOM 248 C PRO A 16 -12.854 2.685 -7.826 1.00 0.00 C ATOM 249 O PRO A 16 -14.068 2.869 -7.905 1.00 0.00 O ATOM 250 CB PRO A 16 -11.766 3.140 -10.051 1.00 0.00 C ATOM 251 CG PRO A 16 -10.637 2.164 -10.098 1.00 0.00 C ATOM 252 CD PRO A 16 -9.675 2.561 -9.004 1.00 0.00 C ATOM 0 HA PRO A 16 -12.218 4.586 -8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.696 2.685 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.575 3.996 -10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.998 1.147 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.147 2.186 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.259 1.687 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.835 3.132 -9.400 1.00 0.00 H new ATOM 260 N THR A 17 -12.304 1.735 -7.092 1.00 0.00 N ATOM 261 CA THR A 17 -13.067 0.790 -6.311 1.00 0.00 C ATOM 262 C THR A 17 -12.871 1.080 -4.820 1.00 0.00 C ATOM 263 O THR A 17 -11.774 1.448 -4.405 1.00 0.00 O ATOM 264 CB THR A 17 -12.586 -0.635 -6.659 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.073 -1.021 -7.953 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.003 -1.658 -5.619 1.00 0.00 C ATOM 0 H THR A 17 -11.295 1.600 -7.024 1.00 0.00 H new ATOM 0 HA THR A 17 -14.129 0.877 -6.538 1.00 0.00 H new ATOM 0 HB THR A 17 -11.496 -0.611 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.317 -1.255 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.640 -2.643 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.579 -1.387 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.090 -1.679 -5.545 1.00 0.00 H new ATOM 274 N PRO A 18 -13.928 0.953 -3.998 1.00 0.00 N ATOM 275 CA PRO A 18 -13.824 1.181 -2.554 1.00 0.00 C ATOM 276 C PRO A 18 -12.894 0.160 -1.888 1.00 0.00 C ATOM 277 O PRO A 18 -13.120 -1.048 -1.976 1.00 0.00 O ATOM 278 CB PRO A 18 -15.271 1.027 -2.051 1.00 0.00 C ATOM 279 CG PRO A 18 -15.968 0.233 -3.107 1.00 0.00 C ATOM 280 CD PRO A 18 -15.297 0.588 -4.408 1.00 0.00 C ATOM 0 HA PRO A 18 -13.397 2.155 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.302 0.516 -1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.745 1.998 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.889 -0.836 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.031 0.474 -3.138 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.298 -0.252 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.801 1.415 -4.907 1.00 0.00 H new ATOM 288 N VAL A 19 -11.853 0.655 -1.221 1.00 0.00 N ATOM 289 CA VAL A 19 -10.864 -0.200 -0.559 1.00 0.00 C ATOM 290 C VAL A 19 -11.531 -1.102 0.486 1.00 0.00 C ATOM 291 O VAL A 19 -10.987 -2.139 0.875 1.00 0.00 O ATOM 292 CB VAL A 19 -9.750 0.655 0.105 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.716 -0.220 0.812 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.075 1.546 -0.937 1.00 0.00 C ATOM 0 H VAL A 19 -11.670 1.654 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.409 -0.832 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.219 1.286 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.952 0.413 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.206 -0.808 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.250 -0.890 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.296 2.140 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.631 0.924 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.816 2.210 -1.382 1.00 0.00 H new ATOM 304 N ASP A 20 -12.724 -0.705 0.915 1.00 0.00 N ATOM 305 CA ASP A 20 -13.518 -1.480 1.869 1.00 0.00 C ATOM 306 C ASP A 20 -13.778 -2.906 1.363 1.00 0.00 C ATOM 307 O ASP A 20 -13.947 -3.830 2.160 1.00 0.00 O ATOM 308 CB ASP A 20 -14.852 -0.764 2.136 1.00 0.00 C ATOM 309 CG ASP A 20 -15.764 -1.525 3.093 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.452 -1.584 4.301 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.810 -2.048 2.647 1.00 0.00 O ATOM 0 H ASP A 20 -13.170 0.161 0.613 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.950 -1.556 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.650 0.225 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.372 -0.616 1.190 1.00 0.00 H new ATOM 316 N THR A 21 -13.799 -3.084 0.042 1.00 0.00 N ATOM 317 CA THR A 21 -14.126 -4.382 -0.550 1.00 0.00 C ATOM 318 C THR A 21 -12.880 -5.266 -0.708 1.00 0.00 C ATOM 319 O THR A 21 -12.986 -6.493 -0.767 1.00 0.00 O ATOM 320 CB THR A 21 -14.831 -4.212 -1.925 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.475 -5.436 -2.315 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.844 -3.803 -3.015 1.00 0.00 C ATOM 0 H THR A 21 -13.595 -2.350 -0.636 1.00 0.00 H new ATOM 0 HA THR A 21 -14.811 -4.878 0.137 1.00 0.00 H new ATOM 0 HB THR A 21 -15.574 -3.422 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.915 -5.312 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.373 -3.694 -3.962 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.379 -2.854 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.075 -4.569 -3.115 1.00 0.00 H new ATOM 330 N ILE A 22 -11.698 -4.647 -0.770 1.00 0.00 N ATOM 331 CA ILE A 22 -10.449 -5.397 -0.941 1.00 0.00 C ATOM 332 C ILE A 22 -9.776 -5.639 0.410 1.00 0.00 C ATOM 333 O ILE A 22 -10.221 -5.125 1.441 1.00 0.00 O ATOM 334 CB ILE A 22 -9.453 -4.685 -1.908 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.120 -3.271 -1.404 1.00 0.00 C ATOM 336 CG2 ILE A 22 -10.014 -4.638 -3.331 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.102 -2.539 -2.255 1.00 0.00 C ATOM 0 H ILE A 22 -11.579 -3.636 -0.705 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.717 -6.353 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.529 -5.264 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.038 -2.684 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.744 -3.339 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.302 -4.137 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.184 -5.653 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.956 -4.090 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.920 -1.550 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.169 -3.103 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.483 -2.437 -3.271 1.00 0.00 H new ATOM 349 N ALA A 23 -8.697 -6.415 0.393 1.00 0.00 N ATOM 350 CA ALA A 23 -7.987 -6.803 1.609 1.00 0.00 C ATOM 351 C ALA A 23 -6.533 -7.152 1.287 1.00 0.00 C ATOM 352 O ALA A 23 -6.095 -6.992 0.146 1.00 0.00 O ATOM 353 CB ALA A 23 -8.696 -7.974 2.280 1.00 0.00 C ATOM 0 H ALA A 23 -8.290 -6.793 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.986 -5.962 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.158 -8.255 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.714 -7.683 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.724 -8.823 1.597 1.00 0.00 H new ATOM 359 N ASP A 24 -5.802 -7.655 2.281 1.00 0.00 N ATOM 360 CA ASP A 24 -4.354 -7.861 2.160 1.00 0.00 C ATOM 361 C ASP A 24 -3.998 -9.003 1.202 1.00 0.00 C ATOM 362 O ASP A 24 -2.935 -8.978 0.574 1.00 0.00 O ATOM 363 CB ASP A 24 -3.728 -8.120 3.539 1.00 0.00 C ATOM 364 CG ASP A 24 -4.214 -9.411 4.180 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.362 -9.434 4.672 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.453 -10.399 4.203 1.00 0.00 O ATOM 0 H ASP A 24 -6.188 -7.929 3.184 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.942 -6.944 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.643 -8.157 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.959 -7.284 4.199 1.00 0.00 H new ATOM 371 N GLU A 25 -4.869 -10.009 1.102 1.00 0.00 N ATOM 372 CA GLU A 25 -4.636 -11.135 0.191 1.00 0.00 C ATOM 373 C GLU A 25 -5.413 -10.958 -1.107 1.00 0.00 C ATOM 374 O GLU A 25 -5.368 -11.816 -1.995 1.00 0.00 O ATOM 375 CB GLU A 25 -5.016 -12.467 0.850 1.00 0.00 C ATOM 376 CG GLU A 25 -4.307 -12.715 2.171 1.00 0.00 C ATOM 377 CD GLU A 25 -4.372 -14.164 2.612 1.00 0.00 C ATOM 378 OE1 GLU A 25 -5.383 -14.568 3.223 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.403 -14.910 2.347 1.00 0.00 O ATOM 0 H GLU A 25 -5.736 -10.069 1.636 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.571 -11.153 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.093 -12.487 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.784 -13.282 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.263 -12.415 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.753 -12.086 2.941 1.00 0.00 H new ATOM 386 N ALA A 26 -6.121 -9.844 -1.219 1.00 0.00 N ATOM 387 CA ALA A 26 -6.877 -9.539 -2.423 1.00 0.00 C ATOM 388 C ALA A 26 -5.976 -8.866 -3.447 1.00 0.00 C ATOM 389 O ALA A 26 -4.971 -8.250 -3.094 1.00 0.00 O ATOM 390 CB ALA A 26 -8.072 -8.651 -2.100 1.00 0.00 C ATOM 0 H ALA A 26 -6.187 -9.135 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.252 -10.472 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.623 -8.435 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.726 -9.164 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.723 -7.718 -1.658 1.00 0.00 H new ATOM 396 N ASP A 27 -6.331 -8.986 -4.714 1.00 0.00 N ATOM 397 CA ASP A 27 -5.556 -8.377 -5.783 1.00 0.00 C ATOM 398 C ASP A 27 -5.952 -6.913 -5.941 1.00 0.00 C ATOM 399 O ASP A 27 -6.905 -6.588 -6.654 1.00 0.00 O ATOM 400 CB ASP A 27 -5.759 -9.143 -7.097 1.00 0.00 C ATOM 401 CG ASP A 27 -5.383 -10.611 -6.971 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.174 -10.927 -7.011 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.291 -11.454 -6.819 1.00 0.00 O ATOM 0 H ASP A 27 -7.153 -9.501 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.498 -8.425 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.801 -9.062 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.158 -8.682 -7.881 1.00 0.00 H new ATOM 408 N LEU A 28 -5.228 -6.034 -5.247 1.00 0.00 N ATOM 409 CA LEU A 28 -5.518 -4.596 -5.258 1.00 0.00 C ATOM 410 C LEU A 28 -5.562 -4.056 -6.690 1.00 0.00 C ATOM 411 O LEU A 28 -6.438 -3.261 -7.042 1.00 0.00 O ATOM 412 CB LEU A 28 -4.477 -3.809 -4.437 1.00 0.00 C ATOM 413 CG LEU A 28 -4.553 -3.971 -2.904 1.00 0.00 C ATOM 414 CD1 LEU A 28 -4.130 -5.371 -2.465 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.701 -2.907 -2.210 1.00 0.00 C ATOM 0 H LEU A 28 -4.431 -6.293 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.497 -4.460 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.483 -4.112 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.582 -2.751 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.593 -3.834 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.196 -5.448 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.788 -6.110 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.103 -5.556 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.766 -3.036 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.663 -3.010 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.066 -1.916 -2.480 1.00 0.00 H new ATOM 427 N TYR A 29 -4.620 -4.500 -7.516 1.00 0.00 N ATOM 428 CA TYR A 29 -4.556 -4.067 -8.911 1.00 0.00 C ATOM 429 C TYR A 29 -5.811 -4.489 -9.678 1.00 0.00 C ATOM 430 O TYR A 29 -6.264 -3.779 -10.576 1.00 0.00 O ATOM 431 CB TYR A 29 -3.286 -4.600 -9.596 1.00 0.00 C ATOM 432 CG TYR A 29 -3.095 -6.103 -9.497 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.486 -6.669 -8.383 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.507 -6.951 -10.521 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.296 -8.033 -8.292 1.00 0.00 C ATOM 436 CE2 TYR A 29 -3.323 -8.317 -10.433 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.715 -8.852 -9.318 1.00 0.00 C ATOM 438 OH TYR A 29 -2.524 -10.212 -9.227 1.00 0.00 O ATOM 0 H TYR A 29 -3.890 -5.159 -7.246 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.511 -2.978 -8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.312 -4.319 -10.649 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.419 -4.107 -9.157 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.156 -6.031 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.978 -6.534 -11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.821 -8.457 -7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.654 -8.962 -11.233 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.054 -10.568 -8.483 1.00 0.00 H new ATOM 448 N ALA A 30 -6.396 -5.624 -9.288 1.00 0.00 N ATOM 449 CA ALA A 30 -7.615 -6.124 -9.926 1.00 0.00 C ATOM 450 C ALA A 30 -8.803 -5.228 -9.578 1.00 0.00 C ATOM 451 O ALA A 30 -9.766 -5.125 -10.342 1.00 0.00 O ATOM 452 CB ALA A 30 -7.891 -7.568 -9.513 1.00 0.00 C ATOM 0 H ALA A 30 -6.045 -6.214 -8.533 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.470 -6.103 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.802 -7.918 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.054 -8.199 -9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.015 -7.620 -8.431 1.00 0.00 H new ATOM 458 N ALA A 31 -8.725 -4.582 -8.413 1.00 0.00 N ATOM 459 CA ALA A 31 -9.729 -3.596 -8.009 1.00 0.00 C ATOM 460 C ALA A 31 -9.581 -2.329 -8.845 1.00 0.00 C ATOM 461 O ALA A 31 -10.495 -1.507 -8.933 1.00 0.00 O ATOM 462 CB ALA A 31 -9.593 -3.277 -6.526 1.00 0.00 C ATOM 0 H ALA A 31 -7.978 -4.724 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.721 -4.013 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.346 -2.543 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.735 -4.187 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.600 -2.873 -6.330 1.00 0.00 H new ATOM 468 N GLY A 32 -8.402 -2.178 -9.438 1.00 0.00 N ATOM 469 CA GLY A 32 -8.146 -1.083 -10.361 1.00 0.00 C ATOM 470 C GLY A 32 -7.048 -0.155 -9.875 1.00 0.00 C ATOM 471 O GLY A 32 -7.039 1.035 -10.209 1.00 0.00 O ATOM 0 H GLY A 32 -7.608 -2.802 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.869 -1.490 -11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.063 -0.511 -10.504 1.00 0.00 H new ATOM 475 N LEU A 33 -6.125 -0.695 -9.084 1.00 0.00 N ATOM 476 CA LEU A 33 -5.021 0.090 -8.531 1.00 0.00 C ATOM 477 C LEU A 33 -3.904 0.228 -9.567 1.00 0.00 C ATOM 478 O LEU A 33 -3.292 -0.764 -9.968 1.00 0.00 O ATOM 479 CB LEU A 33 -4.501 -0.569 -7.234 1.00 0.00 C ATOM 480 CG LEU A 33 -3.516 0.267 -6.381 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.481 -0.253 -4.946 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.106 0.250 -6.972 1.00 0.00 C ATOM 0 H LEU A 33 -6.118 -1.677 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.379 1.090 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.360 -0.823 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.012 -1.506 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.873 1.297 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.784 0.345 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.477 -0.182 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.157 -1.294 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.442 0.847 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.741 -0.776 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.128 0.667 -7.979 1.00 0.00 H new ATOM 494 N SER A 34 -3.661 1.458 -10.005 1.00 0.00 N ATOM 495 CA SER A 34 -2.581 1.750 -10.941 1.00 0.00 C ATOM 496 C SER A 34 -1.423 2.413 -10.192 1.00 0.00 C ATOM 497 O SER A 34 -1.547 2.734 -9.005 1.00 0.00 O ATOM 498 CB SER A 34 -3.091 2.656 -12.074 1.00 0.00 C ATOM 499 OG SER A 34 -2.104 2.832 -13.080 1.00 0.00 O ATOM 0 H SER A 34 -4.202 2.276 -9.724 1.00 0.00 H new ATOM 0 HA SER A 34 -2.225 0.821 -11.386 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.988 2.221 -12.514 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.375 3.626 -11.666 1.00 0.00 H new ATOM 0 HG SER A 34 -2.458 3.411 -13.787 1.00 0.00 H new ATOM 505 N SER A 35 -0.310 2.633 -10.889 1.00 0.00 N ATOM 506 CA SER A 35 0.903 3.158 -10.268 1.00 0.00 C ATOM 507 C SER A 35 0.656 4.520 -9.609 1.00 0.00 C ATOM 508 O SER A 35 1.321 4.874 -8.636 1.00 0.00 O ATOM 509 CB SER A 35 2.023 3.268 -11.307 1.00 0.00 C ATOM 510 OG SER A 35 2.188 2.041 -12.004 1.00 0.00 O ATOM 0 H SER A 35 -0.224 2.454 -11.890 1.00 0.00 H new ATOM 0 HA SER A 35 1.205 2.461 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.792 4.065 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.957 3.540 -10.814 1.00 0.00 H new ATOM 0 HG SER A 35 2.907 2.134 -12.664 1.00 0.00 H new ATOM 516 N PHE A 36 -0.308 5.272 -10.134 1.00 0.00 N ATOM 517 CA PHE A 36 -0.631 6.593 -9.595 1.00 0.00 C ATOM 518 C PHE A 36 -1.213 6.481 -8.184 1.00 0.00 C ATOM 519 O PHE A 36 -0.867 7.266 -7.297 1.00 0.00 O ATOM 520 CB PHE A 36 -1.601 7.332 -10.524 1.00 0.00 C ATOM 521 CG PHE A 36 -0.989 7.700 -11.854 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.021 6.815 -12.924 1.00 0.00 C ATOM 523 CD2 PHE A 36 -0.370 8.930 -12.030 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.453 7.152 -14.139 1.00 0.00 C ATOM 525 CE2 PHE A 36 0.200 9.270 -13.241 1.00 0.00 C ATOM 526 CZ PHE A 36 0.159 8.381 -14.296 1.00 0.00 C ATOM 0 H PHE A 36 -0.879 4.991 -10.931 1.00 0.00 H new ATOM 0 HA PHE A 36 0.292 7.169 -9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.477 6.706 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.949 8.238 -10.028 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.495 5.852 -12.806 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.334 9.630 -11.209 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.488 6.456 -14.964 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.678 10.231 -13.363 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.605 8.646 -15.243 1.00 0.00 H new ATOM 536 N ALA A 37 -2.081 5.496 -7.977 1.00 0.00 N ATOM 537 CA ALA A 37 -2.692 5.277 -6.669 1.00 0.00 C ATOM 538 C ALA A 37 -1.655 4.779 -5.666 1.00 0.00 C ATOM 539 O ALA A 37 -1.717 5.105 -4.479 1.00 0.00 O ATOM 540 CB ALA A 37 -3.858 4.293 -6.771 1.00 0.00 C ATOM 0 H ALA A 37 -2.377 4.837 -8.697 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.082 6.231 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.297 4.146 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.613 4.692 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.496 3.338 -7.153 1.00 0.00 H new ATOM 546 N SER A 38 -0.691 3.998 -6.154 1.00 0.00 N ATOM 547 CA SER A 38 0.336 3.430 -5.293 1.00 0.00 C ATOM 548 C SER A 38 1.368 4.487 -4.889 1.00 0.00 C ATOM 549 O SER A 38 1.715 4.603 -3.713 1.00 0.00 O ATOM 550 CB SER A 38 1.014 2.238 -5.980 1.00 0.00 C ATOM 551 OG SER A 38 1.503 2.593 -7.260 1.00 0.00 O ATOM 0 H SER A 38 -0.603 3.747 -7.139 1.00 0.00 H new ATOM 0 HA SER A 38 -0.146 3.074 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.836 1.878 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.303 1.417 -6.075 1.00 0.00 H new ATOM 0 HG SER A 38 1.309 3.538 -7.434 1.00 0.00 H new ATOM 557 N VAL A 39 1.846 5.270 -5.859 1.00 0.00 N ATOM 558 CA VAL A 39 2.856 6.290 -5.578 1.00 0.00 C ATOM 559 C VAL A 39 2.304 7.348 -4.624 1.00 0.00 C ATOM 560 O VAL A 39 3.037 7.899 -3.799 1.00 0.00 O ATOM 561 CB VAL A 39 3.393 6.974 -6.865 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.068 5.952 -7.782 1.00 0.00 C ATOM 563 CG2 VAL A 39 2.284 7.721 -7.601 1.00 0.00 C ATOM 0 H VAL A 39 1.553 5.218 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 39 3.693 5.774 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 39 4.141 7.708 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.436 6.454 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.903 5.487 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.347 5.186 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.693 8.188 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.499 7.020 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.868 8.489 -6.949 1.00 0.00 H new ATOM 573 N GLN A 40 1.003 7.606 -4.729 1.00 0.00 N ATOM 574 CA GLN A 40 0.330 8.551 -3.846 1.00 0.00 C ATOM 575 C GLN A 40 0.309 8.013 -2.415 1.00 0.00 C ATOM 576 O GLN A 40 0.475 8.765 -1.452 1.00 0.00 O ATOM 577 CB GLN A 40 -1.105 8.812 -4.334 1.00 0.00 C ATOM 578 CG GLN A 40 -1.859 9.864 -3.525 1.00 0.00 C ATOM 579 CD GLN A 40 -1.311 11.268 -3.726 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.405 11.706 -3.019 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.871 11.990 -4.684 1.00 0.00 N ATOM 0 H GLN A 40 0.392 7.171 -5.421 1.00 0.00 H new ATOM 0 HA GLN A 40 0.880 9.492 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.070 9.128 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.663 7.876 -4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.912 9.846 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.808 9.607 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.620 11.592 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.553 12.944 -4.856 1.00 0.00 H new ATOM 590 N LEU A 41 0.130 6.700 -2.284 1.00 0.00 N ATOM 591 CA LEU A 41 0.044 6.064 -0.971 1.00 0.00 C ATOM 592 C LEU A 41 1.405 6.117 -0.270 1.00 0.00 C ATOM 593 O LEU A 41 1.479 6.115 0.957 1.00 0.00 O ATOM 594 CB LEU A 41 -0.475 4.606 -1.106 1.00 0.00 C ATOM 595 CG LEU A 41 0.578 3.469 -1.077 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.891 3.035 0.355 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.110 2.270 -1.901 1.00 0.00 C ATOM 0 H LEU A 41 0.042 6.056 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.671 6.610 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.187 4.426 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.027 4.530 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 41 1.493 3.861 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.633 2.236 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.283 3.884 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.020 2.675 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.866 1.486 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.826 1.890 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.044 2.577 -2.935 1.00 0.00 H new ATOM 609 N MET A 42 2.476 6.198 -1.056 1.00 0.00 N ATOM 610 CA MET A 42 3.828 6.173 -0.505 1.00 0.00 C ATOM 611 C MET A 42 4.099 7.423 0.328 1.00 0.00 C ATOM 612 O MET A 42 4.436 7.330 1.506 1.00 0.00 O ATOM 613 CB MET A 42 4.879 6.066 -1.620 1.00 0.00 C ATOM 614 CG MET A 42 4.644 4.916 -2.589 1.00 0.00 C ATOM 615 SD MET A 42 6.043 4.635 -3.693 1.00 0.00 S ATOM 616 CE MET A 42 6.271 6.267 -4.399 1.00 0.00 C ATOM 0 H MET A 42 2.434 6.281 -2.072 1.00 0.00 H new ATOM 0 HA MET A 42 3.902 5.294 0.135 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.895 7.001 -2.180 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.863 5.949 -1.166 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.445 4.006 -2.024 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.754 5.124 -3.183 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.468 6.177 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.369 6.859 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.115 6.758 -3.915 1.00 0.00 H new ATOM 626 N LEU A 43 3.925 8.591 -0.287 1.00 0.00 N ATOM 627 CA LEU A 43 4.248 9.862 0.364 1.00 0.00 C ATOM 628 C LEU A 43 3.401 10.074 1.620 1.00 0.00 C ATOM 629 O LEU A 43 3.858 10.674 2.596 1.00 0.00 O ATOM 630 CB LEU A 43 4.100 11.030 -0.633 1.00 0.00 C ATOM 631 CG LEU A 43 2.736 11.168 -1.346 1.00 0.00 C ATOM 632 CD1 LEU A 43 1.701 11.860 -0.458 1.00 0.00 C ATOM 633 CD2 LEU A 43 2.895 11.920 -2.666 1.00 0.00 C ATOM 0 H LEU A 43 3.562 8.685 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 43 5.289 9.829 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.300 11.959 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.873 10.927 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 43 2.372 10.162 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.755 11.938 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.555 11.278 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.054 12.858 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.924 12.008 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.295 12.915 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.580 11.374 -3.315 1.00 0.00 H new ATOM 645 N GLY A 44 2.174 9.555 1.602 1.00 0.00 N ATOM 646 CA GLY A 44 1.308 9.659 2.761 1.00 0.00 C ATOM 647 C GLY A 44 1.732 8.701 3.855 1.00 0.00 C ATOM 648 O GLY A 44 1.717 9.038 5.041 1.00 0.00 O ATOM 0 H GLY A 44 1.767 9.065 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.328 10.680 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.279 9.448 2.469 1.00 0.00 H new ATOM 652 N ILE A 45 2.117 7.497 3.447 1.00 0.00 N ATOM 653 CA ILE A 45 2.580 6.469 4.373 1.00 0.00 C ATOM 654 C ILE A 45 3.941 6.849 4.969 1.00 0.00 C ATOM 655 O ILE A 45 4.263 6.469 6.101 1.00 0.00 O ATOM 656 CB ILE A 45 2.627 5.078 3.667 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.297 4.326 3.872 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.812 4.228 4.129 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.012 3.968 5.314 1.00 0.00 C ATOM 0 H ILE A 45 2.117 7.206 2.469 1.00 0.00 H new ATOM 0 HA ILE A 45 1.871 6.397 5.198 1.00 0.00 H new ATOM 0 HB ILE A 45 2.769 5.261 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.481 4.941 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.312 3.413 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.798 3.271 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.743 4.750 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.740 4.057 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.060 3.441 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.807 3.326 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.963 4.878 5.912 1.00 0.00 H new ATOM 671 N GLU A 46 4.715 7.627 4.213 1.00 0.00 N ATOM 672 CA GLU A 46 6.014 8.112 4.671 1.00 0.00 C ATOM 673 C GLU A 46 5.859 8.887 5.976 1.00 0.00 C ATOM 674 O GLU A 46 6.478 8.561 6.989 1.00 0.00 O ATOM 675 CB GLU A 46 6.651 9.017 3.605 1.00 0.00 C ATOM 676 CG GLU A 46 8.032 9.553 3.985 1.00 0.00 C ATOM 677 CD GLU A 46 8.635 10.451 2.914 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.311 11.659 2.890 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.436 9.960 2.092 1.00 0.00 O ATOM 0 H GLU A 46 4.461 7.936 3.275 1.00 0.00 H new ATOM 0 HA GLU A 46 6.662 7.252 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.734 8.459 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.986 9.859 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.955 10.111 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.704 8.714 4.169 1.00 0.00 H new ATOM 686 N GLU A 47 5.001 9.896 5.945 1.00 0.00 N ATOM 687 CA GLU A 47 4.741 10.723 7.115 1.00 0.00 C ATOM 688 C GLU A 47 3.946 9.937 8.160 1.00 0.00 C ATOM 689 O GLU A 47 4.060 10.194 9.361 1.00 0.00 O ATOM 690 CB GLU A 47 4.000 12.011 6.717 1.00 0.00 C ATOM 691 CG GLU A 47 2.647 11.776 6.052 1.00 0.00 C ATOM 692 CD GLU A 47 1.930 13.072 5.695 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.698 13.896 6.607 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.591 13.273 4.509 1.00 0.00 O ATOM 0 H GLU A 47 4.470 10.163 5.116 1.00 0.00 H new ATOM 0 HA GLU A 47 5.697 11.007 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.853 12.622 7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.631 12.584 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.790 11.185 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.016 11.190 6.720 1.00 0.00 H new ATOM 701 N ALA A 48 3.140 8.985 7.687 1.00 0.00 N ATOM 702 CA ALA A 48 2.228 8.231 8.547 1.00 0.00 C ATOM 703 C ALA A 48 2.939 7.578 9.737 1.00 0.00 C ATOM 704 O ALA A 48 2.488 7.727 10.875 1.00 0.00 O ATOM 705 CB ALA A 48 1.488 7.174 7.737 1.00 0.00 C ATOM 0 H ALA A 48 3.101 8.717 6.704 1.00 0.00 H new ATOM 0 HA ALA A 48 1.515 8.948 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.813 6.621 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.913 7.657 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.208 6.486 7.293 1.00 0.00 H new ATOM 711 N PHE A 49 4.037 6.850 9.495 1.00 0.00 N ATOM 712 CA PHE A 49 4.737 6.183 10.603 1.00 0.00 C ATOM 713 C PHE A 49 6.243 6.473 10.638 1.00 0.00 C ATOM 714 O PHE A 49 6.820 6.555 11.725 1.00 0.00 O ATOM 715 CB PHE A 49 4.469 4.665 10.593 1.00 0.00 C ATOM 716 CG PHE A 49 5.013 3.917 9.399 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.320 3.447 9.392 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.211 3.661 8.297 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.814 2.745 8.310 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.703 2.960 7.214 1.00 0.00 C ATOM 721 CZ PHE A 49 6.005 2.500 7.220 1.00 0.00 C ATOM 0 H PHE A 49 4.450 6.709 8.573 1.00 0.00 H new ATOM 0 HA PHE A 49 4.325 6.608 11.518 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.897 4.232 11.497 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.392 4.503 10.641 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.958 3.633 10.243 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.190 4.014 8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.833 2.388 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.068 2.771 6.361 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.389 1.950 6.374 1.00 0.00 H new ATOM 731 N ASP A 50 6.881 6.646 9.472 1.00 0.00 N ATOM 732 CA ASP A 50 8.335 6.884 9.425 1.00 0.00 C ATOM 733 C ASP A 50 8.828 7.076 7.988 1.00 0.00 C ATOM 734 O ASP A 50 9.269 8.169 7.616 1.00 0.00 O ATOM 735 CB ASP A 50 9.106 5.727 10.092 1.00 0.00 C ATOM 736 CG ASP A 50 10.610 5.973 10.152 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.033 6.968 10.778 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.376 5.176 9.577 1.00 0.00 O ATOM 0 H ASP A 50 6.424 6.627 8.560 1.00 0.00 H new ATOM 0 HA ASP A 50 8.527 7.803 9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.726 5.579 11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.915 4.805 9.542 1.00 0.00 H new ATOM 743 N ILE A 51 8.755 6.014 7.182 1.00 0.00 N ATOM 744 CA ILE A 51 9.216 6.063 5.787 1.00 0.00 C ATOM 745 C ILE A 51 8.220 5.381 4.852 1.00 0.00 C ATOM 746 O ILE A 51 7.206 4.836 5.291 1.00 0.00 O ATOM 747 CB ILE A 51 10.621 5.414 5.573 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.582 3.875 5.730 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.661 6.031 6.506 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.199 3.373 7.109 1.00 0.00 C ATOM 0 H ILE A 51 8.382 5.109 7.469 1.00 0.00 H new ATOM 0 HA ILE A 51 9.295 7.124 5.550 1.00 0.00 H new ATOM 0 HB ILE A 51 10.916 5.626 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.876 3.470 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.564 3.475 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.629 5.560 6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.738 7.100 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.359 5.874 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.201 2.283 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.917 3.740 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.203 3.735 7.364 1.00 0.00 H new ATOM 762 N GLU A 52 8.532 5.421 3.562 1.00 0.00 N ATOM 763 CA GLU A 52 7.701 4.822 2.521 1.00 0.00 C ATOM 764 C GLU A 52 8.413 3.638 1.872 1.00 0.00 C ATOM 765 O GLU A 52 9.595 3.392 2.126 1.00 0.00 O ATOM 766 CB GLU A 52 7.308 5.870 1.461 1.00 0.00 C ATOM 767 CG GLU A 52 8.302 7.017 1.291 1.00 0.00 C ATOM 768 CD GLU A 52 9.682 6.587 0.819 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.518 6.204 1.666 1.00 0.00 O ATOM 770 OE2 GLU A 52 9.949 6.665 -0.396 1.00 0.00 O ATOM 0 H GLU A 52 9.374 5.873 3.205 1.00 0.00 H new ATOM 0 HA GLU A 52 6.788 4.454 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.188 5.367 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.336 6.287 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.894 7.733 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.403 7.538 2.243 1.00 0.00 H new ATOM 777 N PHE A 53 7.668 2.890 1.066 1.00 0.00 N ATOM 778 CA PHE A 53 8.210 1.739 0.358 1.00 0.00 C ATOM 779 C PHE A 53 9.313 2.177 -0.610 1.00 0.00 C ATOM 780 O PHE A 53 9.061 2.949 -1.539 1.00 0.00 O ATOM 781 CB PHE A 53 7.089 1.010 -0.392 1.00 0.00 C ATOM 782 CG PHE A 53 5.944 0.614 0.503 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.158 -0.225 1.589 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.660 1.083 0.267 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.116 -0.585 2.418 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.615 0.721 1.093 1.00 0.00 C ATOM 787 CZ PHE A 53 3.844 -0.112 2.170 1.00 0.00 C ATOM 0 H PHE A 53 6.679 3.063 0.887 1.00 0.00 H new ATOM 0 HA PHE A 53 8.648 1.053 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.715 1.653 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.497 0.118 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.151 -0.600 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.476 1.738 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.296 -1.237 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.619 1.089 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.027 -0.393 2.818 1.00 0.00 H new ATOM 797 N PRO A 54 10.553 1.698 -0.393 1.00 0.00 N ATOM 798 CA PRO A 54 11.710 2.086 -1.206 1.00 0.00 C ATOM 799 C PRO A 54 11.625 1.538 -2.628 1.00 0.00 C ATOM 800 O PRO A 54 11.022 0.485 -2.872 1.00 0.00 O ATOM 801 CB PRO A 54 12.895 1.464 -0.450 1.00 0.00 C ATOM 802 CG PRO A 54 12.306 0.297 0.259 1.00 0.00 C ATOM 803 CD PRO A 54 10.922 0.733 0.659 1.00 0.00 C ATOM 0 HA PRO A 54 11.788 3.167 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.686 1.156 -1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.337 2.173 0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.271 -0.580 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.900 0.026 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.230 -0.108 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.915 1.193 1.647 1.00 0.00 H new ATOM 811 N ASP A 55 12.260 2.251 -3.552 1.00 0.00 N ATOM 812 CA ASP A 55 12.249 1.901 -4.974 1.00 0.00 C ATOM 813 C ASP A 55 12.738 0.467 -5.200 1.00 0.00 C ATOM 814 O ASP A 55 12.382 -0.171 -6.190 1.00 0.00 O ATOM 815 CB ASP A 55 13.133 2.877 -5.761 1.00 0.00 C ATOM 816 CG ASP A 55 14.619 2.672 -5.493 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.069 2.941 -4.356 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.340 2.229 -6.413 1.00 0.00 O ATOM 0 H ASP A 55 12.799 3.090 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 55 11.220 1.970 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.940 2.756 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.859 3.899 -5.501 1.00 0.00 H new ATOM 823 N ASN A 56 13.552 -0.027 -4.268 1.00 0.00 N ATOM 824 CA ASN A 56 14.135 -1.367 -4.370 1.00 0.00 C ATOM 825 C ASN A 56 13.057 -2.455 -4.380 1.00 0.00 C ATOM 826 O ASN A 56 13.206 -3.473 -5.056 1.00 0.00 O ATOM 827 CB ASN A 56 15.122 -1.615 -3.218 1.00 0.00 C ATOM 828 CG ASN A 56 16.287 -0.631 -3.201 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.787 -0.271 -2.136 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.734 -0.195 -4.372 1.00 0.00 N ATOM 0 H ASN A 56 13.825 0.483 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 56 14.671 -1.417 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.587 -1.551 -2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.513 -2.629 -3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.516 0.459 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.296 -0.514 -5.236 1.00 0.00 H new ATOM 837 N LEU A 57 11.972 -2.240 -3.634 1.00 0.00 N ATOM 838 CA LEU A 57 10.883 -3.221 -3.572 1.00 0.00 C ATOM 839 C LEU A 57 9.644 -2.699 -4.289 1.00 0.00 C ATOM 840 O LEU A 57 8.625 -3.389 -4.371 1.00 0.00 O ATOM 841 CB LEU A 57 10.559 -3.593 -2.107 1.00 0.00 C ATOM 842 CG LEU A 57 9.982 -2.473 -1.208 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.477 -2.283 -1.431 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.268 -2.767 0.264 1.00 0.00 C ATOM 0 H LEU A 57 11.823 -1.404 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 57 11.212 -4.126 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.848 -4.419 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.472 -3.964 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 57 10.477 -1.543 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.110 -1.488 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.294 -2.015 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.955 -3.211 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.855 -1.969 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.808 -3.715 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.345 -2.826 0.421 1.00 0.00 H new ATOM 856 N LEU A 58 9.732 -1.471 -4.796 1.00 0.00 N ATOM 857 CA LEU A 58 8.617 -0.844 -5.499 1.00 0.00 C ATOM 858 C LEU A 58 8.307 -1.639 -6.768 1.00 0.00 C ATOM 859 O LEU A 58 8.881 -1.391 -7.832 1.00 0.00 O ATOM 860 CB LEU A 58 8.951 0.627 -5.829 1.00 0.00 C ATOM 861 CG LEU A 58 7.756 1.603 -5.884 1.00 0.00 C ATOM 862 CD1 LEU A 58 6.732 1.189 -6.940 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.101 1.718 -4.508 1.00 0.00 C ATOM 0 H LEU A 58 10.568 -0.889 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 58 7.734 -0.848 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.658 0.993 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.460 0.655 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 58 8.140 2.581 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.907 1.902 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.207 1.175 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.351 0.195 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.260 2.409 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.745 0.738 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.830 2.089 -3.788 1.00 0.00 H new ATOM 875 N ASN A 59 7.427 -2.620 -6.632 1.00 0.00 N ATOM 876 CA ASN A 59 7.083 -3.525 -7.724 1.00 0.00 C ATOM 877 C ASN A 59 5.674 -4.070 -7.506 1.00 0.00 C ATOM 878 O ASN A 59 5.214 -4.163 -6.361 1.00 0.00 O ATOM 879 CB ASN A 59 8.115 -4.672 -7.789 1.00 0.00 C ATOM 880 CG ASN A 59 7.972 -5.574 -9.013 1.00 0.00 C ATOM 881 OD1 ASN A 59 6.875 -5.803 -9.518 1.00 0.00 O ATOM 882 ND2 ASN A 59 9.091 -6.094 -9.496 1.00 0.00 N ATOM 0 H ASN A 59 6.930 -2.813 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 59 7.104 -2.989 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.118 -4.244 -7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.022 -5.281 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.059 -6.705 -10.312 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.985 -5.883 -9.052 1.00 0.00 H new ATOM 889 N ARG A 60 4.998 -4.415 -8.601 1.00 0.00 N ATOM 890 CA ARG A 60 3.633 -4.944 -8.559 1.00 0.00 C ATOM 891 C ARG A 60 3.506 -6.048 -7.507 1.00 0.00 C ATOM 892 O ARG A 60 2.530 -6.098 -6.760 1.00 0.00 O ATOM 893 CB ARG A 60 3.232 -5.512 -9.931 1.00 0.00 C ATOM 894 CG ARG A 60 3.292 -4.515 -11.087 1.00 0.00 C ATOM 895 CD ARG A 60 2.381 -3.312 -10.864 1.00 0.00 C ATOM 896 NE ARG A 60 2.107 -2.601 -12.117 1.00 0.00 N ATOM 897 CZ ARG A 60 2.240 -1.285 -12.294 1.00 0.00 C ATOM 898 NH1 ARG A 60 2.754 -0.522 -11.335 1.00 0.00 N ATOM 899 NH2 ARG A 60 1.884 -0.738 -13.450 1.00 0.00 N ATOM 0 H ARG A 60 5.380 -4.336 -9.543 1.00 0.00 H new ATOM 0 HA ARG A 60 2.969 -4.121 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.884 -6.354 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.217 -5.904 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.319 -4.171 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.007 -5.017 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.442 -3.644 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.846 -2.630 -10.152 1.00 0.00 H new ATOM 0 HE ARG A 60 1.791 -3.154 -12.913 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.051 -0.941 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.852 0.483 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.511 -1.323 -14.198 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.984 0.267 -13.591 1.00 0.00 H new ATOM 913 N LYS A 61 4.522 -6.909 -7.449 1.00 0.00 N ATOM 914 CA LYS A 61 4.524 -8.076 -6.563 1.00 0.00 C ATOM 915 C LYS A 61 4.238 -7.686 -5.113 1.00 0.00 C ATOM 916 O LYS A 61 3.371 -8.272 -4.461 1.00 0.00 O ATOM 917 CB LYS A 61 5.884 -8.783 -6.648 1.00 0.00 C ATOM 918 CG LYS A 61 6.003 -10.020 -5.758 1.00 0.00 C ATOM 919 CD LYS A 61 7.409 -10.613 -5.794 1.00 0.00 C ATOM 920 CE LYS A 61 8.456 -9.633 -5.269 1.00 0.00 C ATOM 921 NZ LYS A 61 9.824 -10.212 -5.285 1.00 0.00 N ATOM 0 H LYS A 61 5.367 -6.818 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 61 3.731 -8.748 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.065 -9.075 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.667 -8.075 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.747 -9.755 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.283 -10.772 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.434 -11.524 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.657 -10.896 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.440 -8.727 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.199 -9.340 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.501 -9.512 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.848 -11.062 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.081 -10.468 -6.260 1.00 0.00 H new ATOM 935 N SER A 62 4.959 -6.687 -4.626 1.00 0.00 N ATOM 936 CA SER A 62 4.862 -6.272 -3.233 1.00 0.00 C ATOM 937 C SER A 62 3.452 -5.771 -2.902 1.00 0.00 C ATOM 938 O SER A 62 2.861 -6.166 -1.895 1.00 0.00 O ATOM 939 CB SER A 62 5.903 -5.184 -2.956 1.00 0.00 C ATOM 940 OG SER A 62 7.196 -5.618 -3.347 1.00 0.00 O ATOM 0 H SER A 62 5.623 -6.145 -5.179 1.00 0.00 H new ATOM 0 HA SER A 62 5.060 -7.132 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.640 -4.275 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.903 -4.935 -1.895 1.00 0.00 H new ATOM 0 HG SER A 62 7.702 -4.859 -3.705 1.00 0.00 H new ATOM 946 N PHE A 63 2.914 -4.916 -3.764 1.00 0.00 N ATOM 947 CA PHE A 63 1.579 -4.351 -3.561 1.00 0.00 C ATOM 948 C PHE A 63 0.489 -5.383 -3.863 1.00 0.00 C ATOM 949 O PHE A 63 -0.662 -5.222 -3.455 1.00 0.00 O ATOM 950 CB PHE A 63 1.388 -3.106 -4.439 1.00 0.00 C ATOM 951 CG PHE A 63 2.344 -1.986 -4.108 1.00 0.00 C ATOM 952 CD1 PHE A 63 2.047 -1.074 -3.103 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.541 -1.846 -4.798 1.00 0.00 C ATOM 954 CE1 PHE A 63 2.922 -0.051 -2.795 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.419 -0.824 -4.492 1.00 0.00 C ATOM 956 CZ PHE A 63 4.108 0.075 -3.490 1.00 0.00 C ATOM 0 H PHE A 63 3.380 -4.596 -4.613 1.00 0.00 H new ATOM 0 HA PHE A 63 1.492 -4.063 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.515 -3.385 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.365 -2.746 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.120 -1.166 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.789 -2.545 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.678 0.650 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.347 -0.728 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.792 0.876 -3.251 1.00 0.00 H new ATOM 966 N ALA A 64 0.862 -6.441 -4.576 1.00 0.00 N ATOM 967 CA ALA A 64 -0.075 -7.505 -4.938 1.00 0.00 C ATOM 968 C ALA A 64 -0.329 -8.444 -3.759 1.00 0.00 C ATOM 969 O ALA A 64 -1.237 -9.277 -3.800 1.00 0.00 O ATOM 970 CB ALA A 64 0.454 -8.286 -6.132 1.00 0.00 C ATOM 0 H ALA A 64 1.812 -6.587 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.024 -7.042 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.252 -9.075 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.576 -7.614 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.417 -8.729 -5.879 1.00 0.00 H new ATOM 976 N SER A 65 0.491 -8.310 -2.719 1.00 0.00 N ATOM 977 CA SER A 65 0.359 -9.117 -1.513 1.00 0.00 C ATOM 978 C SER A 65 0.769 -8.297 -0.290 1.00 0.00 C ATOM 979 O SER A 65 1.946 -8.264 0.083 1.00 0.00 O ATOM 980 CB SER A 65 1.215 -10.385 -1.628 1.00 0.00 C ATOM 981 OG SER A 65 0.858 -11.137 -2.777 1.00 0.00 O ATOM 0 H SER A 65 1.261 -7.642 -2.690 1.00 0.00 H new ATOM 0 HA SER A 65 -0.682 -9.417 -1.397 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.269 -10.113 -1.680 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.087 -10.996 -0.735 1.00 0.00 H new ATOM 0 HG SER A 65 1.418 -11.939 -2.830 1.00 0.00 H new ATOM 987 N ILE A 66 -0.206 -7.631 0.325 1.00 0.00 N ATOM 988 CA ILE A 66 0.062 -6.728 1.440 1.00 0.00 C ATOM 989 C ILE A 66 0.760 -7.462 2.588 1.00 0.00 C ATOM 990 O ILE A 66 1.717 -6.950 3.162 1.00 0.00 O ATOM 991 CB ILE A 66 -1.234 -6.049 1.956 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.898 -5.230 0.831 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.943 -5.162 3.168 1.00 0.00 C ATOM 994 CD1 ILE A 66 -1.029 -4.114 0.282 1.00 0.00 C ATOM 0 H ILE A 66 -1.191 -7.701 0.069 1.00 0.00 H new ATOM 0 HA ILE A 66 0.726 -5.949 1.064 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.925 -6.831 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.165 -5.902 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.827 -4.801 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.868 -4.698 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.523 -5.769 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.230 -4.386 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.568 -3.586 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.782 -3.417 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.111 -4.536 -0.127 1.00 0.00 H new ATOM 1006 N LYS A 67 0.295 -8.671 2.894 1.00 0.00 N ATOM 1007 CA LYS A 67 0.893 -9.481 3.963 1.00 0.00 C ATOM 1008 C LYS A 67 2.401 -9.681 3.744 1.00 0.00 C ATOM 1009 O LYS A 67 3.157 -9.862 4.699 1.00 0.00 O ATOM 1010 CB LYS A 67 0.187 -10.847 4.106 1.00 0.00 C ATOM 1011 CG LYS A 67 0.260 -11.762 2.876 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.827 -11.449 1.847 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.830 -12.455 0.698 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.053 -13.850 1.170 1.00 0.00 N ATOM 0 H LYS A 67 -0.492 -9.114 2.420 1.00 0.00 H new ATOM 0 HA LYS A 67 0.754 -8.928 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.622 -11.374 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.862 -10.671 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.239 -11.659 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.167 -12.800 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.801 -11.453 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.673 -10.445 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.609 -12.186 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.121 -12.401 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.233 -14.468 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.209 -14.184 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.873 -13.873 1.809 1.00 0.00 H new ATOM 1028 N ALA A 68 2.836 -9.653 2.486 1.00 0.00 N ATOM 1029 CA ALA A 68 4.249 -9.822 2.159 1.00 0.00 C ATOM 1030 C ALA A 68 5.012 -8.505 2.327 1.00 0.00 C ATOM 1031 O ALA A 68 6.108 -8.469 2.894 1.00 0.00 O ATOM 1032 CB ALA A 68 4.404 -10.352 0.736 1.00 0.00 C ATOM 0 H ALA A 68 2.230 -9.515 1.677 1.00 0.00 H new ATOM 0 HA ALA A 68 4.674 -10.549 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.463 -10.473 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.901 -11.315 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.959 -9.647 0.034 1.00 0.00 H new ATOM 1038 N ILE A 69 4.421 -7.417 1.836 1.00 0.00 N ATOM 1039 CA ILE A 69 5.082 -6.111 1.850 1.00 0.00 C ATOM 1040 C ILE A 69 5.141 -5.533 3.269 1.00 0.00 C ATOM 1041 O ILE A 69 6.102 -4.848 3.625 1.00 0.00 O ATOM 1042 CB ILE A 69 4.386 -5.106 0.887 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.271 -3.870 0.654 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.018 -4.688 1.422 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.692 -2.885 -0.342 1.00 0.00 C ATOM 0 H ILE A 69 3.488 -7.413 1.424 1.00 0.00 H new ATOM 0 HA ILE A 69 6.102 -6.266 1.498 1.00 0.00 H new ATOM 0 HB ILE A 69 4.238 -5.610 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.427 -3.362 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.250 -4.196 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.555 -3.986 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.383 -5.568 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.138 -4.211 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.371 -2.040 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.561 -3.377 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.726 -2.529 0.017 1.00 0.00 H new ATOM 1057 N GLU A 70 4.124 -5.834 4.084 1.00 0.00 N ATOM 1058 CA GLU A 70 4.049 -5.307 5.449 1.00 0.00 C ATOM 1059 C GLU A 70 5.220 -5.813 6.282 1.00 0.00 C ATOM 1060 O GLU A 70 5.684 -5.136 7.194 1.00 0.00 O ATOM 1061 CB GLU A 70 2.694 -5.653 6.103 1.00 0.00 C ATOM 1062 CG GLU A 70 2.430 -7.146 6.334 1.00 0.00 C ATOM 1063 CD GLU A 70 2.988 -7.670 7.654 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.550 -7.190 8.720 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.845 -8.577 7.636 1.00 0.00 O ATOM 0 H GLU A 70 3.345 -6.438 3.822 1.00 0.00 H new ATOM 0 HA GLU A 70 4.118 -4.220 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.633 -5.139 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.896 -5.254 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.355 -7.324 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.867 -7.715 5.513 1.00 0.00 H new ATOM 1072 N ASP A 71 5.696 -7.008 5.957 1.00 0.00 N ATOM 1073 CA ASP A 71 6.870 -7.569 6.616 1.00 0.00 C ATOM 1074 C ASP A 71 8.138 -6.906 6.094 1.00 0.00 C ATOM 1075 O ASP A 71 9.032 -6.543 6.859 1.00 0.00 O ATOM 1076 CB ASP A 71 6.946 -9.081 6.383 1.00 0.00 C ATOM 1077 CG ASP A 71 8.181 -9.700 7.016 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.173 -9.926 8.246 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.166 -9.959 6.290 1.00 0.00 O ATOM 0 H ASP A 71 5.287 -7.608 5.241 1.00 0.00 H new ATOM 0 HA ASP A 71 6.783 -7.380 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.054 -9.555 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.950 -9.282 5.312 1.00 0.00 H new ATOM 1084 N THR A 72 8.189 -6.735 4.782 1.00 0.00 N ATOM 1085 CA THR A 72 9.365 -6.200 4.117 1.00 0.00 C ATOM 1086 C THR A 72 9.641 -4.750 4.540 1.00 0.00 C ATOM 1087 O THR A 72 10.796 -4.327 4.604 1.00 0.00 O ATOM 1088 CB THR A 72 9.214 -6.303 2.584 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.881 -7.659 2.235 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.500 -5.890 1.868 1.00 0.00 C ATOM 0 H THR A 72 7.420 -6.962 4.152 1.00 0.00 H new ATOM 0 HA THR A 72 10.222 -6.800 4.423 1.00 0.00 H new ATOM 0 HB THR A 72 8.421 -5.625 2.268 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.938 -7.828 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.360 -5.974 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.743 -4.858 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.316 -6.543 2.180 1.00 0.00 H new ATOM 1098 N VAL A 73 8.587 -3.994 4.849 1.00 0.00 N ATOM 1099 CA VAL A 73 8.759 -2.615 5.299 1.00 0.00 C ATOM 1100 C VAL A 73 9.328 -2.591 6.723 1.00 0.00 C ATOM 1101 O VAL A 73 10.064 -1.679 7.095 1.00 0.00 O ATOM 1102 CB VAL A 73 7.435 -1.803 5.233 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.378 -2.381 6.170 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.686 -0.324 5.539 1.00 0.00 C ATOM 0 H VAL A 73 7.618 -4.309 4.797 1.00 0.00 H new ATOM 0 HA VAL A 73 9.464 -2.137 4.618 1.00 0.00 H new ATOM 0 HB VAL A 73 7.051 -1.880 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.466 -1.789 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.165 -3.412 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.748 -2.356 7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.745 0.223 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.108 -0.226 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.385 0.085 4.809 1.00 0.00 H new ATOM 1114 N LYS A 74 9.008 -3.624 7.501 1.00 0.00 N ATOM 1115 CA LYS A 74 9.528 -3.760 8.862 1.00 0.00 C ATOM 1116 C LYS A 74 11.037 -3.987 8.828 1.00 0.00 C ATOM 1117 O LYS A 74 11.754 -3.622 9.763 1.00 0.00 O ATOM 1118 CB LYS A 74 8.827 -4.914 9.587 1.00 0.00 C ATOM 1119 CG LYS A 74 7.326 -4.702 9.732 1.00 0.00 C ATOM 1120 CD LYS A 74 6.611 -5.956 10.223 1.00 0.00 C ATOM 1121 CE LYS A 74 5.101 -5.761 10.237 1.00 0.00 C ATOM 1122 NZ LYS A 74 4.380 -6.999 10.620 1.00 0.00 N ATOM 0 H LYS A 74 8.389 -4.381 7.211 1.00 0.00 H new ATOM 0 HA LYS A 74 9.328 -2.838 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.006 -5.841 9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.268 -5.036 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.142 -3.885 10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.909 -4.401 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.865 -6.798 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.957 -6.206 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.846 -4.963 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.769 -5.440 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.519 -7.092 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.995 -7.822 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.120 -6.952 11.626 1.00 0.00 H new ATOM 1136 N LEU A 75 11.508 -4.592 7.737 1.00 0.00 N ATOM 1137 CA LEU A 75 12.940 -4.795 7.518 1.00 0.00 C ATOM 1138 C LEU A 75 13.659 -3.449 7.449 1.00 0.00 C ATOM 1139 O LEU A 75 14.827 -3.334 7.825 1.00 0.00 O ATOM 1140 CB LEU A 75 13.188 -5.594 6.230 1.00 0.00 C ATOM 1141 CG LEU A 75 12.557 -6.996 6.194 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.882 -7.704 4.882 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.019 -7.823 7.391 1.00 0.00 C ATOM 0 H LEU A 75 10.916 -4.951 6.988 1.00 0.00 H new ATOM 0 HA LEU A 75 13.337 -5.366 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.805 -5.020 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.264 -5.694 6.086 1.00 0.00 H new ATOM 0 HG LEU A 75 11.474 -6.886 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.425 -8.694 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.491 -7.122 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.963 -7.803 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.562 -8.812 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.104 -7.923 7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.721 -7.325 8.314 1.00 0.00 H new ATOM 1155 N ILE A 76 12.952 -2.429 6.966 1.00 0.00 N ATOM 1156 CA ILE A 76 13.493 -1.076 6.924 1.00 0.00 C ATOM 1157 C ILE A 76 13.689 -0.559 8.346 1.00 0.00 C ATOM 1158 O ILE A 76 14.742 -0.021 8.683 1.00 0.00 O ATOM 1159 CB ILE A 76 12.559 -0.110 6.157 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.233 -0.669 4.763 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.194 1.277 6.048 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.220 0.157 4.002 1.00 0.00 C ATOM 0 H ILE A 76 12.004 -2.516 6.599 1.00 0.00 H new ATOM 0 HA ILE A 76 14.448 -1.116 6.399 1.00 0.00 H new ATOM 0 HB ILE A 76 11.627 -0.016 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.152 -0.729 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.855 -1.686 4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.523 1.943 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.371 1.676 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.141 1.203 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.039 -0.297 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.287 0.196 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.604 1.168 3.866 1.00 0.00 H new ATOM 1174 N LEU A 77 12.670 -0.755 9.182 1.00 0.00 N ATOM 1175 CA LEU A 77 12.736 -0.360 10.590 1.00 0.00 C ATOM 1176 C LEU A 77 13.841 -1.141 11.302 1.00 0.00 C ATOM 1177 O LEU A 77 14.482 -0.639 12.231 1.00 0.00 O ATOM 1178 CB LEU A 77 11.381 -0.571 11.293 1.00 0.00 C ATOM 1179 CG LEU A 77 10.271 0.439 10.928 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.716 1.870 11.229 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.852 0.301 9.465 1.00 0.00 C ATOM 0 H LEU A 77 11.787 -1.186 8.909 1.00 0.00 H new ATOM 0 HA LEU A 77 12.970 0.704 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.024 -1.574 11.060 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.542 -0.532 12.370 1.00 0.00 H new ATOM 0 HG LEU A 77 9.403 0.212 11.547 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.917 2.563 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.941 1.965 12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.608 2.104 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.069 1.026 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.712 0.485 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.475 -0.706 9.288 1.00 0.00 H new ATOM 1193 N ASP A 78 14.065 -2.368 10.840 1.00 0.00 N ATOM 1194 CA ASP A 78 15.139 -3.215 11.354 1.00 0.00 C ATOM 1195 C ASP A 78 16.501 -2.662 10.932 1.00 0.00 C ATOM 1196 O ASP A 78 17.486 -2.788 11.659 1.00 0.00 O ATOM 1197 CB ASP A 78 14.964 -4.657 10.846 1.00 0.00 C ATOM 1198 CG ASP A 78 16.141 -5.560 11.194 1.00 0.00 C ATOM 1199 OD1 ASP A 78 16.275 -5.948 12.372 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.932 -5.896 10.286 1.00 0.00 O ATOM 0 H ASP A 78 13.510 -2.802 10.102 1.00 0.00 H new ATOM 0 HA ASP A 78 15.091 -3.220 12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.053 -5.078 11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.833 -4.641 9.764 1.00 0.00 H new ATOM 1205 N GLY A 79 16.536 -2.014 9.767 1.00 0.00 N ATOM 1206 CA GLY A 79 17.784 -1.490 9.231 1.00 0.00 C ATOM 1207 C GLY A 79 17.883 0.026 9.309 1.00 0.00 C ATOM 1208 O GLY A 79 18.550 0.649 8.477 1.00 0.00 O ATOM 0 H GLY A 79 15.718 -1.842 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.619 -1.930 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.883 -1.801 8.191 1.00 0.00 H new