USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 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 59 ASN : amide:sc= -2.32! C(o=-1.4!,f=-0.093!) USER MOD Set 1.2: A 62 SER OG : rot -170:sc= 0.925 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.04 (180deg=0.305!) USER MOD Single : A 2 ASN : amide:sc= -2.29 K(o=-2.3,f=-1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0622 X(o=0.062,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 140:sc= 0.669 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 74:sc= 0.904 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 38 SER OG : rot 20:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.07) USER MOD Single : A 42 MET CE :methyl -148:sc= -0.121 (180deg=-1.69) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0323) USER MOD Single : A 65 SER OG : rot 44:sc= 0.141 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= 0.952 (180deg=0.474) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= -3.39! (180deg=-3.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.052 -3.178 9.409 1.00 0.00 N ATOM 2 CA MET A 1 1.683 -1.989 8.602 1.00 0.00 C ATOM 3 C MET A 1 0.657 -2.340 7.524 1.00 0.00 C ATOM 4 O MET A 1 0.145 -1.448 6.855 1.00 0.00 O ATOM 5 CB MET A 1 2.929 -1.382 7.936 1.00 0.00 C ATOM 6 CG MET A 1 4.034 -1.022 8.910 1.00 0.00 C ATOM 7 SD MET A 1 4.758 -2.481 9.680 1.00 0.00 S ATOM 8 CE MET A 1 6.102 -1.728 10.588 1.00 0.00 C ATOM 0 H1 MET A 1 2.877 -2.953 10.001 1.00 0.00 H new ATOM 0 H2 MET A 1 1.252 -3.447 10.017 1.00 0.00 H new ATOM 0 H3 MET A 1 2.286 -3.969 8.775 1.00 0.00 H new ATOM 0 HA MET A 1 1.239 -1.261 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.319 -2.090 7.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.636 -0.487 7.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.811 -0.465 8.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.636 -0.364 9.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.655 -2.499 11.125 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.770 -1.219 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.701 -1.007 11.300 1.00 0.00 H new ATOM 17 N ASN A 2 0.341 -3.630 7.377 1.00 0.00 N ATOM 18 CA ASN A 2 -0.497 -4.110 6.266 1.00 0.00 C ATOM 19 C ASN A 2 -1.796 -3.310 6.134 1.00 0.00 C ATOM 20 O ASN A 2 -2.075 -2.734 5.077 1.00 0.00 O ATOM 21 CB ASN A 2 -0.802 -5.616 6.411 1.00 0.00 C ATOM 22 CG ASN A 2 -1.536 -5.976 7.694 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.917 -6.264 8.716 1.00 0.00 O ATOM 24 ND2 ASN A 2 -2.860 -5.966 7.651 1.00 0.00 N ATOM 0 H ASN A 2 0.652 -4.364 8.013 1.00 0.00 H new ATOM 0 HA ASN A 2 0.075 -3.957 5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.400 -5.939 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.135 -6.172 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.399 -6.202 8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.340 -5.722 6.785 1.00 0.00 H new ATOM 31 N ALA A 3 -2.571 -3.251 7.211 1.00 0.00 N ATOM 32 CA ALA A 3 -3.849 -2.543 7.204 1.00 0.00 C ATOM 33 C ALA A 3 -3.628 -1.063 6.919 1.00 0.00 C ATOM 34 O ALA A 3 -4.355 -0.454 6.133 1.00 0.00 O ATOM 35 CB ALA A 3 -4.573 -2.737 8.533 1.00 0.00 C ATOM 0 H ALA A 3 -2.337 -3.686 8.103 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.475 -2.956 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.523 -2.203 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.757 -3.799 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.957 -2.348 9.343 1.00 0.00 H new ATOM 41 N THR A 4 -2.596 -0.513 7.551 1.00 0.00 N ATOM 42 CA THR A 4 -2.204 0.879 7.371 1.00 0.00 C ATOM 43 C THR A 4 -1.920 1.187 5.896 1.00 0.00 C ATOM 44 O THR A 4 -2.307 2.241 5.383 1.00 0.00 O ATOM 45 CB THR A 4 -0.947 1.179 8.221 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.223 0.895 9.600 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.489 2.625 8.077 1.00 0.00 C ATOM 0 H THR A 4 -2.005 -1.025 8.206 1.00 0.00 H new ATOM 0 HA THR A 4 -3.028 1.513 7.698 1.00 0.00 H new ATOM 0 HB THR A 4 -0.141 0.541 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.426 1.083 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.396 2.789 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.249 2.828 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.286 3.293 8.403 1.00 0.00 H new ATOM 55 N ILE A 5 -1.268 0.241 5.221 1.00 0.00 N ATOM 56 CA ILE A 5 -0.869 0.409 3.826 1.00 0.00 C ATOM 57 C ILE A 5 -2.086 0.533 2.913 1.00 0.00 C ATOM 58 O ILE A 5 -2.263 1.549 2.253 1.00 0.00 O ATOM 59 CB ILE A 5 0.025 -0.763 3.349 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.342 -0.781 4.143 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.302 -0.670 1.845 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.162 -2.032 3.935 1.00 0.00 C ATOM 0 H ILE A 5 -1.003 -0.658 5.624 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.293 1.332 3.769 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.508 -1.696 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.939 0.085 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.117 -0.678 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.932 -1.505 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.640 -0.706 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.812 0.268 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.075 -1.971 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.584 -2.902 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.419 -2.127 2.880 1.00 0.00 H new ATOM 74 N ARG A 6 -2.938 -0.489 2.887 1.00 0.00 N ATOM 75 CA ARG A 6 -4.109 -0.462 2.011 1.00 0.00 C ATOM 76 C ARG A 6 -5.093 0.625 2.445 1.00 0.00 C ATOM 77 O ARG A 6 -5.889 1.110 1.639 1.00 0.00 O ATOM 78 CB ARG A 6 -4.802 -1.832 1.940 1.00 0.00 C ATOM 79 CG ARG A 6 -5.180 -2.438 3.288 1.00 0.00 C ATOM 80 CD ARG A 6 -6.078 -3.659 3.108 1.00 0.00 C ATOM 81 NE ARG A 6 -6.150 -4.479 4.317 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.281 -4.915 4.874 1.00 0.00 C ATOM 83 NH1 ARG A 6 -8.462 -4.540 4.391 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.225 -5.735 5.912 1.00 0.00 N ATOM 0 H ARG A 6 -2.844 -1.333 3.452 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.757 -0.223 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.705 -1.734 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.145 -2.527 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.277 -2.723 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.693 -1.692 3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.081 -3.332 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.703 -4.265 2.283 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.271 -4.736 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.509 -3.913 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.321 -4.879 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.321 -6.030 6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.086 -6.072 6.343 1.00 0.00 H new ATOM 98 N GLU A 7 -5.020 1.015 3.717 1.00 0.00 N ATOM 99 CA GLU A 7 -5.895 2.054 4.258 1.00 0.00 C ATOM 100 C GLU A 7 -5.679 3.386 3.544 1.00 0.00 C ATOM 101 O GLU A 7 -6.639 4.083 3.216 1.00 0.00 O ATOM 102 CB GLU A 7 -5.656 2.220 5.764 1.00 0.00 C ATOM 103 CG GLU A 7 -6.539 3.274 6.420 1.00 0.00 C ATOM 104 CD GLU A 7 -6.345 3.336 7.925 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.416 4.035 8.383 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.114 2.673 8.655 1.00 0.00 O ATOM 0 H GLU A 7 -4.363 0.626 4.393 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.926 1.743 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.825 1.262 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.611 2.483 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.318 4.250 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.584 3.057 6.200 1.00 0.00 H new ATOM 113 N ILE A 8 -4.417 3.730 3.284 1.00 0.00 N ATOM 114 CA ILE A 8 -4.098 5.010 2.657 1.00 0.00 C ATOM 115 C ILE A 8 -4.738 5.109 1.270 1.00 0.00 C ATOM 116 O ILE A 8 -5.096 6.199 0.815 1.00 0.00 O ATOM 117 CB ILE A 8 -2.575 5.269 2.538 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.330 6.749 2.212 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.947 4.382 1.471 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.893 7.080 1.899 1.00 0.00 C ATOM 0 H ILE A 8 -3.608 3.146 3.496 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.510 5.776 3.315 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.106 5.024 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.950 7.030 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.656 7.355 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.878 4.587 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.102 3.335 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.411 4.589 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.804 8.144 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.268 6.833 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.567 6.503 1.034 1.00 0.00 H new ATOM 132 N LEU A 9 -4.871 3.966 0.598 1.00 0.00 N ATOM 133 CA LEU A 9 -5.472 3.916 -0.734 1.00 0.00 C ATOM 134 C LEU A 9 -6.907 4.441 -0.709 1.00 0.00 C ATOM 135 O LEU A 9 -7.422 4.899 -1.726 1.00 0.00 O ATOM 136 CB LEU A 9 -5.428 2.492 -1.320 1.00 0.00 C ATOM 137 CG LEU A 9 -4.060 2.038 -1.873 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.556 3.007 -2.940 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.031 1.895 -0.758 1.00 0.00 C ATOM 0 H LEU A 9 -4.570 3.060 0.956 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.881 4.563 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.737 1.790 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.163 2.426 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.200 1.059 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.591 2.666 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.271 3.047 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.446 4.001 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.079 1.574 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.901 2.855 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.376 1.154 -0.037 1.00 0.00 H new ATOM 151 N ALA A 10 -7.549 4.361 0.453 1.00 0.00 N ATOM 152 CA ALA A 10 -8.905 4.876 0.618 1.00 0.00 C ATOM 153 C ALA A 10 -8.920 6.406 0.626 1.00 0.00 C ATOM 154 O ALA A 10 -9.905 7.026 0.215 1.00 0.00 O ATOM 155 CB ALA A 10 -9.527 4.330 1.899 1.00 0.00 C ATOM 0 H ALA A 10 -7.152 3.944 1.295 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.499 4.540 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.538 4.723 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.564 3.242 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.925 4.635 2.755 1.00 0.00 H new ATOM 161 N LYS A 11 -7.828 7.011 1.104 1.00 0.00 N ATOM 162 CA LYS A 11 -7.742 8.469 1.237 1.00 0.00 C ATOM 163 C LYS A 11 -6.852 9.094 0.149 1.00 0.00 C ATOM 164 O LYS A 11 -7.342 9.846 -0.697 1.00 0.00 O ATOM 165 CB LYS A 11 -7.266 8.850 2.657 1.00 0.00 C ATOM 166 CG LYS A 11 -6.069 8.044 3.160 1.00 0.00 C ATOM 167 CD LYS A 11 -5.760 8.318 4.632 1.00 0.00 C ATOM 168 CE LYS A 11 -5.367 9.771 4.875 1.00 0.00 C ATOM 169 NZ LYS A 11 -4.970 10.012 6.287 1.00 0.00 N ATOM 0 H LYS A 11 -6.990 6.513 1.406 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.741 8.881 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.006 9.908 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.095 8.718 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.268 6.981 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.193 8.284 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.633 8.073 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.952 7.665 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.541 10.038 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.204 10.421 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.711 11.012 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.766 9.782 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.155 9.411 6.526 1.00 0.00 H new ATOM 183 N PHE A 12 -5.556 8.777 0.155 1.00 0.00 N ATOM 184 CA PHE A 12 -4.623 9.332 -0.835 1.00 0.00 C ATOM 185 C PHE A 12 -4.731 8.581 -2.153 1.00 0.00 C ATOM 186 O PHE A 12 -4.628 9.171 -3.232 1.00 0.00 O ATOM 187 CB PHE A 12 -3.174 9.253 -0.333 1.00 0.00 C ATOM 188 CG PHE A 12 -2.792 10.336 0.646 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.204 10.278 1.969 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.009 11.408 0.240 1.00 0.00 C ATOM 191 CE1 PHE A 12 -2.841 11.266 2.866 1.00 0.00 C ATOM 192 CE2 PHE A 12 -1.647 12.397 1.133 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.063 12.326 2.447 1.00 0.00 C ATOM 0 H PHE A 12 -5.128 8.143 0.829 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.892 10.377 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.018 8.283 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.502 9.302 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.815 9.452 2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.679 11.469 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.166 11.208 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.038 13.226 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.780 13.099 3.146 1.00 0.00 H new ATOM 203 N GLY A 13 -4.937 7.274 -2.051 1.00 0.00 N ATOM 204 CA GLY A 13 -5.004 6.440 -3.230 1.00 0.00 C ATOM 205 C GLY A 13 -6.222 6.743 -4.068 1.00 0.00 C ATOM 206 O GLY A 13 -7.331 6.855 -3.549 1.00 0.00 O ATOM 0 H GLY A 13 -5.059 6.778 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.106 6.587 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.020 5.392 -2.932 1.00 0.00 H new ATOM 210 N GLN A 14 -6.017 6.888 -5.367 1.00 0.00 N ATOM 211 CA GLN A 14 -7.106 7.150 -6.297 1.00 0.00 C ATOM 212 C GLN A 14 -7.794 5.842 -6.694 1.00 0.00 C ATOM 213 O GLN A 14 -7.952 5.541 -7.879 1.00 0.00 O ATOM 214 CB GLN A 14 -6.569 7.884 -7.535 1.00 0.00 C ATOM 215 CG GLN A 14 -5.906 9.223 -7.217 1.00 0.00 C ATOM 216 CD GLN A 14 -6.840 10.183 -6.496 1.00 0.00 C ATOM 217 OE1 GLN A 14 -7.578 10.939 -7.129 1.00 0.00 O ATOM 218 NE2 GLN A 14 -6.810 10.167 -5.170 1.00 0.00 N ATOM 0 H GLN A 14 -5.098 6.828 -5.805 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.846 7.786 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.848 7.243 -8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.391 8.052 -8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.023 9.050 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.563 9.683 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.185 9.526 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.412 10.796 -4.639 1.00 0.00 H new ATOM 227 N LEU A 15 -8.188 5.061 -5.691 1.00 0.00 N ATOM 228 CA LEU A 15 -8.897 3.810 -5.925 1.00 0.00 C ATOM 229 C LEU A 15 -10.395 4.100 -6.040 1.00 0.00 C ATOM 230 O LEU A 15 -11.000 4.616 -5.098 1.00 0.00 O ATOM 231 CB LEU A 15 -8.623 2.813 -4.780 1.00 0.00 C ATOM 232 CG LEU A 15 -9.127 1.374 -5.013 1.00 0.00 C ATOM 233 CD1 LEU A 15 -8.456 0.749 -6.230 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.897 0.502 -3.778 1.00 0.00 C ATOM 0 H LEU A 15 -8.027 5.275 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.544 3.359 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.548 2.778 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.084 3.197 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.199 1.429 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.830 -0.265 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.680 1.345 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.377 0.720 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.262 -0.507 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.831 0.465 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.433 0.925 -2.929 1.00 0.00 H new ATOM 246 N PRO A 16 -11.016 3.774 -7.191 1.00 0.00 N ATOM 247 CA PRO A 16 -12.438 4.061 -7.434 1.00 0.00 C ATOM 248 C PRO A 16 -13.343 3.099 -6.676 1.00 0.00 C ATOM 249 O PRO A 16 -14.570 3.212 -6.699 1.00 0.00 O ATOM 250 CB PRO A 16 -12.586 3.853 -8.944 1.00 0.00 C ATOM 251 CG PRO A 16 -11.517 2.879 -9.312 1.00 0.00 C ATOM 252 CD PRO A 16 -10.388 3.084 -8.335 1.00 0.00 C ATOM 0 HA PRO A 16 -12.724 5.058 -7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.574 3.466 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.466 4.792 -9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.891 1.857 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.178 3.044 -10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.946 2.134 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.589 3.683 -8.771 1.00 0.00 H new ATOM 260 N THR A 17 -12.711 2.153 -6.010 1.00 0.00 N ATOM 261 CA THR A 17 -13.388 1.095 -5.306 1.00 0.00 C ATOM 262 C THR A 17 -13.035 1.160 -3.814 1.00 0.00 C ATOM 263 O THR A 17 -11.885 1.434 -3.462 1.00 0.00 O ATOM 264 CB THR A 17 -12.955 -0.249 -5.927 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.518 -0.387 -7.240 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.346 -1.433 -5.065 1.00 0.00 C ATOM 0 H THR A 17 -11.694 2.102 -5.945 1.00 0.00 H new ATOM 0 HA THR A 17 -14.469 1.199 -5.395 1.00 0.00 H new ATOM 0 HB THR A 17 -11.867 -0.242 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.856 -0.792 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.020 -2.356 -5.545 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.871 -1.344 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.429 -1.452 -4.942 1.00 0.00 H new ATOM 274 N PRO A 18 -14.018 0.944 -2.916 1.00 0.00 N ATOM 275 CA PRO A 18 -13.780 0.998 -1.468 1.00 0.00 C ATOM 276 C PRO A 18 -12.808 -0.091 -1.014 1.00 0.00 C ATOM 277 O PRO A 18 -13.016 -1.275 -1.287 1.00 0.00 O ATOM 278 CB PRO A 18 -15.177 0.786 -0.858 1.00 0.00 C ATOM 279 CG PRO A 18 -15.977 0.125 -1.932 1.00 0.00 C ATOM 280 CD PRO A 18 -15.425 0.636 -3.238 1.00 0.00 C ATOM 0 HA PRO A 18 -13.321 1.937 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.126 0.163 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.625 1.734 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.891 -0.960 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.035 0.367 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.502 -0.112 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.961 1.520 -3.583 1.00 0.00 H new ATOM 288 N VAL A 19 -11.752 0.316 -0.313 1.00 0.00 N ATOM 289 CA VAL A 19 -10.713 -0.607 0.142 1.00 0.00 C ATOM 290 C VAL A 19 -11.300 -1.680 1.064 1.00 0.00 C ATOM 291 O VAL A 19 -10.732 -2.759 1.226 1.00 0.00 O ATOM 292 CB VAL A 19 -9.575 0.157 0.871 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.498 -0.801 1.379 1.00 0.00 C ATOM 294 CG2 VAL A 19 -8.964 1.211 -0.052 1.00 0.00 C ATOM 0 H VAL A 19 -11.592 1.287 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.296 -1.096 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.009 0.658 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.716 -0.234 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.942 -1.510 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.067 -1.343 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.168 1.738 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.554 0.725 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.734 1.923 -0.351 1.00 0.00 H new ATOM 304 N ASP A 20 -12.456 -1.376 1.642 1.00 0.00 N ATOM 305 CA ASP A 20 -13.158 -2.302 2.532 1.00 0.00 C ATOM 306 C ASP A 20 -13.474 -3.635 1.838 1.00 0.00 C ATOM 307 O ASP A 20 -13.584 -4.672 2.497 1.00 0.00 O ATOM 308 CB ASP A 20 -14.452 -1.655 3.046 1.00 0.00 C ATOM 309 CG ASP A 20 -15.273 -2.589 3.925 1.00 0.00 C ATOM 310 OD1 ASP A 20 -14.877 -2.824 5.088 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.326 -3.078 3.462 1.00 0.00 O ATOM 0 H ASP A 20 -12.934 -0.485 1.510 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.498 -2.518 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.203 -0.757 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.057 -1.339 2.196 1.00 0.00 H new ATOM 316 N THR A 21 -13.611 -3.611 0.512 1.00 0.00 N ATOM 317 CA THR A 21 -13.966 -4.818 -0.238 1.00 0.00 C ATOM 318 C THR A 21 -12.727 -5.671 -0.539 1.00 0.00 C ATOM 319 O THR A 21 -12.841 -6.864 -0.825 1.00 0.00 O ATOM 320 CB THR A 21 -14.706 -4.476 -1.560 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.380 -5.638 -2.072 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.743 -3.950 -2.621 1.00 0.00 C ATOM 0 H THR A 21 -13.483 -2.777 -0.062 1.00 0.00 H new ATOM 0 HA THR A 21 -14.643 -5.394 0.393 1.00 0.00 H new ATOM 0 HB THR A 21 -15.433 -3.697 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.843 -5.407 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.295 -3.721 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.257 -3.046 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.988 -4.707 -2.835 1.00 0.00 H new ATOM 330 N ILE A 22 -11.544 -5.061 -0.466 1.00 0.00 N ATOM 331 CA ILE A 22 -10.294 -5.775 -0.718 1.00 0.00 C ATOM 332 C ILE A 22 -9.548 -6.006 0.593 1.00 0.00 C ATOM 333 O ILE A 22 -9.939 -5.488 1.640 1.00 0.00 O ATOM 334 CB ILE A 22 -9.374 -5.016 -1.712 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.069 -3.601 -1.195 1.00 0.00 C ATOM 336 CG2 ILE A 22 -10.009 -4.963 -3.104 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.152 -2.798 -2.093 1.00 0.00 C ATOM 0 H ILE A 22 -11.426 -4.075 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.556 -6.731 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.432 -5.559 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.007 -3.060 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.616 -3.677 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.348 -4.427 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.164 -5.977 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.967 -4.447 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.987 -1.813 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.197 -3.315 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.610 -2.688 -3.076 1.00 0.00 H new ATOM 349 N ALA A 23 -8.467 -6.770 0.530 1.00 0.00 N ATOM 350 CA ALA A 23 -7.714 -7.138 1.721 1.00 0.00 C ATOM 351 C ALA A 23 -6.219 -7.210 1.419 1.00 0.00 C ATOM 352 O ALA A 23 -5.802 -7.024 0.276 1.00 0.00 O ATOM 353 CB ALA A 23 -8.224 -8.466 2.270 1.00 0.00 C ATOM 0 H ALA A 23 -8.090 -7.149 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.862 -6.369 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.656 -8.734 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.279 -8.372 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.103 -9.243 1.515 1.00 0.00 H new ATOM 359 N ASP A 24 -5.427 -7.501 2.446 1.00 0.00 N ATOM 360 CA ASP A 24 -3.967 -7.497 2.340 1.00 0.00 C ATOM 361 C ASP A 24 -3.483 -8.616 1.421 1.00 0.00 C ATOM 362 O ASP A 24 -2.464 -8.482 0.738 1.00 0.00 O ATOM 363 CB ASP A 24 -3.332 -7.675 3.728 1.00 0.00 C ATOM 364 CG ASP A 24 -3.925 -6.738 4.769 1.00 0.00 C ATOM 365 OD1 ASP A 24 -3.552 -5.551 4.795 1.00 0.00 O ATOM 366 OD2 ASP A 24 -4.778 -7.187 5.567 1.00 0.00 O ATOM 0 H ASP A 24 -5.775 -7.746 3.373 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.666 -6.538 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.466 -8.706 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.258 -7.500 3.657 1.00 0.00 H new ATOM 371 N GLU A 25 -4.211 -9.726 1.436 1.00 0.00 N ATOM 372 CA GLU A 25 -3.864 -10.899 0.636 1.00 0.00 C ATOM 373 C GLU A 25 -4.660 -10.937 -0.669 1.00 0.00 C ATOM 374 O GLU A 25 -4.613 -11.925 -1.404 1.00 0.00 O ATOM 375 CB GLU A 25 -4.132 -12.179 1.438 1.00 0.00 C ATOM 376 CG GLU A 25 -3.661 -12.116 2.888 1.00 0.00 C ATOM 377 CD GLU A 25 -3.528 -13.489 3.510 1.00 0.00 C ATOM 378 OE1 GLU A 25 -2.479 -14.134 3.294 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.471 -13.941 4.195 1.00 0.00 O ATOM 0 H GLU A 25 -5.054 -9.841 1.999 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.804 -10.835 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.202 -12.387 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.638 -13.015 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.699 -11.605 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.365 -11.522 3.471 1.00 0.00 H new ATOM 386 N ALA A 26 -5.389 -9.864 -0.955 1.00 0.00 N ATOM 387 CA ALA A 26 -6.236 -9.806 -2.144 1.00 0.00 C ATOM 388 C ALA A 26 -5.553 -9.023 -3.259 1.00 0.00 C ATOM 389 O ALA A 26 -4.508 -8.405 -3.050 1.00 0.00 O ATOM 390 CB ALA A 26 -7.584 -9.181 -1.802 1.00 0.00 C ATOM 0 H ALA A 26 -5.411 -9.021 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.402 -10.824 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.205 -9.144 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.081 -9.782 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.431 -8.170 -1.424 1.00 0.00 H new ATOM 396 N ASP A 27 -6.150 -9.048 -4.444 1.00 0.00 N ATOM 397 CA ASP A 27 -5.606 -8.337 -5.596 1.00 0.00 C ATOM 398 C ASP A 27 -6.104 -6.893 -5.608 1.00 0.00 C ATOM 399 O ASP A 27 -7.129 -6.582 -6.219 1.00 0.00 O ATOM 400 CB ASP A 27 -5.992 -9.041 -6.906 1.00 0.00 C ATOM 401 CG ASP A 27 -5.374 -10.427 -7.041 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.241 -10.527 -7.555 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.021 -11.422 -6.648 1.00 0.00 O ATOM 0 H ASP A 27 -7.015 -9.555 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.519 -8.337 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.077 -9.126 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.678 -8.425 -7.749 1.00 0.00 H new ATOM 408 N LEU A 28 -5.381 -6.017 -4.913 1.00 0.00 N ATOM 409 CA LEU A 28 -5.748 -4.598 -4.828 1.00 0.00 C ATOM 410 C LEU A 28 -5.857 -3.982 -6.222 1.00 0.00 C ATOM 411 O LEU A 28 -6.753 -3.179 -6.494 1.00 0.00 O ATOM 412 CB LEU A 28 -4.724 -3.802 -3.994 1.00 0.00 C ATOM 413 CG LEU A 28 -4.726 -4.068 -2.474 1.00 0.00 C ATOM 414 CD1 LEU A 28 -4.178 -5.453 -2.146 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.938 -2.985 -1.739 1.00 0.00 C ATOM 0 H LEU A 28 -4.535 -6.262 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.718 -4.544 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.727 -4.019 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.903 -2.739 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.761 -4.036 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.195 -5.605 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.794 -6.212 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.153 -5.534 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.950 -3.189 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.908 -2.979 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.393 -2.013 -1.928 1.00 0.00 H new ATOM 427 N TYR A 29 -4.946 -4.375 -7.104 1.00 0.00 N ATOM 428 CA TYR A 29 -4.901 -3.827 -8.458 1.00 0.00 C ATOM 429 C TYR A 29 -6.101 -4.283 -9.289 1.00 0.00 C ATOM 430 O TYR A 29 -6.482 -3.612 -10.252 1.00 0.00 O ATOM 431 CB TYR A 29 -3.568 -4.171 -9.151 1.00 0.00 C ATOM 432 CG TYR A 29 -3.186 -5.644 -9.131 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.646 -6.229 -7.989 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.338 -6.441 -10.262 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.274 -7.559 -7.975 1.00 0.00 C ATOM 436 CE2 TYR A 29 -2.972 -7.774 -10.251 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.439 -8.326 -9.106 1.00 0.00 C ATOM 438 OH TYR A 29 -2.065 -9.650 -9.097 1.00 0.00 O ATOM 0 H TYR A 29 -4.227 -5.071 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.961 -2.742 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.621 -3.840 -10.188 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.772 -3.600 -8.674 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.516 -5.632 -7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.749 -6.011 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.855 -7.995 -7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.103 -8.380 -11.135 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.718 -10.171 -8.585 1.00 0.00 H new ATOM 448 N ALA A 30 -6.717 -5.394 -8.891 1.00 0.00 N ATOM 449 CA ALA A 30 -7.902 -5.905 -9.580 1.00 0.00 C ATOM 450 C ALA A 30 -9.138 -5.081 -9.214 1.00 0.00 C ATOM 451 O ALA A 30 -10.104 -5.014 -9.979 1.00 0.00 O ATOM 452 CB ALA A 30 -8.117 -7.377 -9.255 1.00 0.00 C ATOM 0 H ALA A 30 -6.416 -5.958 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.740 -5.813 -10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.003 -7.739 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.247 -7.951 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.255 -7.496 -8.180 1.00 0.00 H new ATOM 458 N ALA A 31 -9.098 -4.448 -8.039 1.00 0.00 N ATOM 459 CA ALA A 31 -10.178 -3.564 -7.600 1.00 0.00 C ATOM 460 C ALA A 31 -10.203 -2.300 -8.452 1.00 0.00 C ATOM 461 O ALA A 31 -11.210 -1.592 -8.514 1.00 0.00 O ATOM 462 CB ALA A 31 -10.008 -3.208 -6.128 1.00 0.00 C ATOM 0 H ALA A 31 -8.328 -4.532 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.127 -4.086 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.819 -2.550 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.029 -4.118 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.054 -2.701 -5.984 1.00 0.00 H new ATOM 468 N GLY A 32 -9.071 -2.022 -9.091 1.00 0.00 N ATOM 469 CA GLY A 32 -8.962 -0.887 -9.995 1.00 0.00 C ATOM 470 C GLY A 32 -7.917 0.110 -9.537 1.00 0.00 C ATOM 471 O GLY A 32 -8.114 1.322 -9.639 1.00 0.00 O ATOM 0 H GLY A 32 -8.216 -2.570 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.709 -1.243 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.929 -0.389 -10.069 1.00 0.00 H new ATOM 475 N LEU A 33 -6.801 -0.400 -9.023 1.00 0.00 N ATOM 476 CA LEU A 33 -5.728 0.450 -8.520 1.00 0.00 C ATOM 477 C LEU A 33 -4.977 1.102 -9.677 1.00 0.00 C ATOM 478 O LEU A 33 -4.523 0.421 -10.599 1.00 0.00 O ATOM 479 CB LEU A 33 -4.759 -0.361 -7.649 1.00 0.00 C ATOM 480 CG LEU A 33 -3.695 0.464 -6.906 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.355 1.463 -5.963 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.737 -0.450 -6.142 1.00 0.00 C ATOM 0 H LEU A 33 -6.617 -1.400 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.172 1.234 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.338 -0.921 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.253 -1.091 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.116 1.020 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.587 2.038 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.990 2.139 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.961 0.928 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.993 0.155 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.297 -1.038 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.237 -1.120 -6.842 1.00 0.00 H new ATOM 494 N SER A 34 -4.862 2.423 -9.624 1.00 0.00 N ATOM 495 CA SER A 34 -4.177 3.186 -10.658 1.00 0.00 C ATOM 496 C SER A 34 -2.725 3.460 -10.262 1.00 0.00 C ATOM 497 O SER A 34 -2.391 3.478 -9.074 1.00 0.00 O ATOM 498 CB SER A 34 -4.917 4.505 -10.887 1.00 0.00 C ATOM 499 OG SER A 34 -6.293 4.269 -11.121 1.00 0.00 O ATOM 0 H SER A 34 -5.239 2.993 -8.867 1.00 0.00 H new ATOM 0 HA SER A 34 -4.171 2.604 -11.580 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.796 5.152 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.482 5.029 -11.738 1.00 0.00 H new ATOM 0 HG SER A 34 -6.752 5.123 -11.264 1.00 0.00 H new ATOM 505 N SER A 35 -1.877 3.680 -11.263 1.00 0.00 N ATOM 506 CA SER A 35 -0.467 3.998 -11.043 1.00 0.00 C ATOM 507 C SER A 35 -0.322 5.194 -10.100 1.00 0.00 C ATOM 508 O SER A 35 0.373 5.123 -9.081 1.00 0.00 O ATOM 509 CB SER A 35 0.196 4.303 -12.387 1.00 0.00 C ATOM 510 OG SER A 35 -0.566 5.256 -13.115 1.00 0.00 O ATOM 0 H SER A 35 -2.145 3.643 -12.246 1.00 0.00 H new ATOM 0 HA SER A 35 0.022 3.141 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.204 4.684 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.292 3.386 -12.968 1.00 0.00 H new ATOM 0 HG SER A 35 -0.127 5.441 -13.971 1.00 0.00 H new ATOM 516 N PHE A 36 -1.002 6.284 -10.443 1.00 0.00 N ATOM 517 CA PHE A 36 -0.991 7.501 -9.634 1.00 0.00 C ATOM 518 C PHE A 36 -1.390 7.189 -8.190 1.00 0.00 C ATOM 519 O PHE A 36 -0.851 7.761 -7.243 1.00 0.00 O ATOM 520 CB PHE A 36 -1.953 8.540 -10.227 1.00 0.00 C ATOM 521 CG PHE A 36 -1.650 8.911 -11.660 1.00 0.00 C ATOM 522 CD1 PHE A 36 -0.747 9.922 -11.956 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.271 8.249 -12.711 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.470 10.264 -13.268 1.00 0.00 C ATOM 525 CE2 PHE A 36 -1.996 8.587 -14.023 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.095 9.595 -14.302 1.00 0.00 C ATOM 0 H PHE A 36 -1.574 6.350 -11.285 1.00 0.00 H new ATOM 0 HA PHE A 36 0.020 7.908 -9.638 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.970 8.152 -10.170 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.921 9.441 -9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.254 10.449 -11.152 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.978 7.460 -12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.235 11.054 -13.483 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.486 8.062 -14.830 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.879 9.860 -15.327 1.00 0.00 H new ATOM 536 N ALA A 37 -2.320 6.250 -8.037 1.00 0.00 N ATOM 537 CA ALA A 37 -2.827 5.865 -6.726 1.00 0.00 C ATOM 538 C ALA A 37 -1.731 5.213 -5.890 1.00 0.00 C ATOM 539 O ALA A 37 -1.548 5.549 -4.717 1.00 0.00 O ATOM 540 CB ALA A 37 -4.017 4.923 -6.877 1.00 0.00 C ATOM 0 H ALA A 37 -2.740 5.739 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.157 6.765 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.387 4.643 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.810 5.424 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.706 4.028 -7.416 1.00 0.00 H new ATOM 546 N SER A 38 -0.995 4.290 -6.504 1.00 0.00 N ATOM 547 CA SER A 38 0.067 3.572 -5.811 1.00 0.00 C ATOM 548 C SER A 38 1.234 4.504 -5.471 1.00 0.00 C ATOM 549 O SER A 38 1.961 4.275 -4.503 1.00 0.00 O ATOM 550 CB SER A 38 0.536 2.376 -6.654 1.00 0.00 C ATOM 551 OG SER A 38 0.719 2.740 -8.013 1.00 0.00 O ATOM 0 H SER A 38 -1.116 4.023 -7.481 1.00 0.00 H new ATOM 0 HA SER A 38 -0.330 3.193 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.472 1.989 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.197 1.572 -6.587 1.00 0.00 H new ATOM 0 HG SER A 38 0.818 3.713 -8.081 1.00 0.00 H new ATOM 557 N VAL A 39 1.401 5.564 -6.260 1.00 0.00 N ATOM 558 CA VAL A 39 2.448 6.551 -6.003 1.00 0.00 C ATOM 559 C VAL A 39 2.092 7.404 -4.786 1.00 0.00 C ATOM 560 O VAL A 39 2.897 7.555 -3.864 1.00 0.00 O ATOM 561 CB VAL A 39 2.685 7.467 -7.233 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.731 8.541 -6.929 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.099 6.640 -8.451 1.00 0.00 C ATOM 0 H VAL A 39 0.827 5.761 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 39 3.369 6.004 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 39 1.745 7.970 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.876 9.167 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.389 9.157 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.675 8.065 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.260 7.301 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.021 6.102 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.311 5.926 -8.691 1.00 0.00 H new ATOM 573 N GLN A 40 0.869 7.937 -4.774 1.00 0.00 N ATOM 574 CA GLN A 40 0.400 8.763 -3.659 1.00 0.00 C ATOM 575 C GLN A 40 0.426 7.959 -2.365 1.00 0.00 C ATOM 576 O GLN A 40 0.641 8.504 -1.278 1.00 0.00 O ATOM 577 CB GLN A 40 -1.022 9.284 -3.920 1.00 0.00 C ATOM 578 CG GLN A 40 -1.165 10.116 -5.189 1.00 0.00 C ATOM 579 CD GLN A 40 -0.209 11.293 -5.236 1.00 0.00 C ATOM 580 OE1 GLN A 40 0.899 11.186 -5.766 1.00 0.00 O ATOM 581 NE2 GLN A 40 -0.617 12.416 -4.668 1.00 0.00 N ATOM 0 H GLN A 40 0.186 7.812 -5.522 1.00 0.00 H new ATOM 0 HA GLN A 40 1.069 9.619 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.702 8.434 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.337 9.886 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.991 9.479 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.189 10.483 -5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.542 12.464 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.007 13.233 -4.658 1.00 0.00 H new ATOM 590 N LEU A 41 0.202 6.657 -2.510 1.00 0.00 N ATOM 591 CA LEU A 41 0.236 5.717 -1.397 1.00 0.00 C ATOM 592 C LEU A 41 1.567 5.816 -0.643 1.00 0.00 C ATOM 593 O LEU A 41 1.597 5.732 0.581 1.00 0.00 O ATOM 594 CB LEU A 41 -0.018 4.284 -1.938 1.00 0.00 C ATOM 595 CG LEU A 41 0.959 3.174 -1.491 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.733 2.783 -0.030 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.828 1.949 -2.396 1.00 0.00 C ATOM 0 H LEU A 41 -0.009 6.223 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.549 5.963 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.024 3.986 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.004 4.327 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 41 1.971 3.570 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.438 2.000 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.886 3.654 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.286 2.416 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.524 1.177 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.191 1.565 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.058 2.230 -3.424 1.00 0.00 H new ATOM 609 N MET A 42 2.654 6.033 -1.376 1.00 0.00 N ATOM 610 CA MET A 42 3.990 6.035 -0.783 1.00 0.00 C ATOM 611 C MET A 42 4.182 7.240 0.141 1.00 0.00 C ATOM 612 O MET A 42 4.509 7.086 1.319 1.00 0.00 O ATOM 613 CB MET A 42 5.063 6.041 -1.882 1.00 0.00 C ATOM 614 CG MET A 42 4.851 4.973 -2.947 1.00 0.00 C ATOM 615 SD MET A 42 6.209 4.883 -4.132 1.00 0.00 S ATOM 616 CE MET A 42 6.239 6.565 -4.748 1.00 0.00 C ATOM 0 H MET A 42 2.638 6.210 -2.380 1.00 0.00 H new ATOM 0 HA MET A 42 4.093 5.127 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.077 7.021 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.041 5.896 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.733 4.003 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.923 5.178 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.559 6.565 -5.790 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.241 6.997 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.936 7.157 -4.155 1.00 0.00 H new ATOM 626 N LEU A 43 3.950 8.433 -0.401 1.00 0.00 N ATOM 627 CA LEU A 43 4.218 9.681 0.320 1.00 0.00 C ATOM 628 C LEU A 43 3.409 9.764 1.613 1.00 0.00 C ATOM 629 O LEU A 43 3.949 10.072 2.678 1.00 0.00 O ATOM 630 CB LEU A 43 3.922 10.905 -0.569 1.00 0.00 C ATOM 631 CG LEU A 43 4.895 11.136 -1.744 1.00 0.00 C ATOM 632 CD1 LEU A 43 6.339 11.197 -1.251 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.735 10.060 -2.819 1.00 0.00 C ATOM 0 H LEU A 43 3.576 8.565 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 43 5.277 9.684 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.914 10.802 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.924 11.795 0.060 1.00 0.00 H new ATOM 0 HG LEU A 43 4.646 12.097 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.006 11.360 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.447 12.017 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.597 10.257 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.435 10.252 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.940 9.081 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.716 10.080 -3.205 1.00 0.00 H new ATOM 645 N GLY A 44 2.117 9.477 1.517 1.00 0.00 N ATOM 646 CA GLY A 44 1.255 9.538 2.684 1.00 0.00 C ATOM 647 C GLY A 44 1.597 8.468 3.709 1.00 0.00 C ATOM 648 O GLY A 44 1.469 8.688 4.915 1.00 0.00 O ATOM 0 H GLY A 44 1.650 9.203 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.341 10.522 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.217 9.422 2.373 1.00 0.00 H new ATOM 652 N ILE A 45 2.025 7.304 3.229 1.00 0.00 N ATOM 653 CA ILE A 45 2.407 6.198 4.106 1.00 0.00 C ATOM 654 C ILE A 45 3.705 6.516 4.846 1.00 0.00 C ATOM 655 O ILE A 45 3.902 6.079 5.987 1.00 0.00 O ATOM 656 CB ILE A 45 2.520 4.862 3.311 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.160 4.139 3.286 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.611 3.946 3.868 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.639 3.758 4.658 1.00 0.00 C ATOM 0 H ILE A 45 2.117 7.100 2.234 1.00 0.00 H new ATOM 0 HA ILE A 45 1.621 6.070 4.850 1.00 0.00 H new ATOM 0 HB ILE A 45 2.808 5.113 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.428 4.781 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.250 3.238 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.651 3.029 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.574 4.453 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.387 3.703 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.322 3.254 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.350 3.090 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.514 4.657 5.262 1.00 0.00 H new ATOM 671 N GLU A 46 4.574 7.299 4.209 1.00 0.00 N ATOM 672 CA GLU A 46 5.812 7.738 4.844 1.00 0.00 C ATOM 673 C GLU A 46 5.495 8.467 6.145 1.00 0.00 C ATOM 674 O GLU A 46 5.967 8.092 7.218 1.00 0.00 O ATOM 675 CB GLU A 46 6.599 8.667 3.911 1.00 0.00 C ATOM 676 CG GLU A 46 7.909 9.169 4.510 1.00 0.00 C ATOM 677 CD GLU A 46 8.568 10.245 3.668 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.220 11.434 3.840 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.437 9.915 2.834 1.00 0.00 O ATOM 0 H GLU A 46 4.443 7.641 3.257 1.00 0.00 H new ATOM 0 HA GLU A 46 6.422 6.860 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.813 8.138 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.975 9.523 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.719 9.562 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.596 8.331 4.622 1.00 0.00 H new ATOM 686 N GLU A 47 4.662 9.491 6.042 1.00 0.00 N ATOM 687 CA GLU A 47 4.258 10.269 7.202 1.00 0.00 C ATOM 688 C GLU A 47 3.334 9.452 8.107 1.00 0.00 C ATOM 689 O GLU A 47 3.256 9.704 9.310 1.00 0.00 O ATOM 690 CB GLU A 47 3.599 11.591 6.787 1.00 0.00 C ATOM 691 CG GLU A 47 2.388 11.437 5.877 1.00 0.00 C ATOM 692 CD GLU A 47 1.712 12.768 5.596 1.00 0.00 C ATOM 693 OE1 GLU A 47 0.870 13.192 6.415 1.00 0.00 O ATOM 694 OE2 GLU A 47 2.032 13.405 4.569 1.00 0.00 O ATOM 0 H GLU A 47 4.251 9.803 5.162 1.00 0.00 H new ATOM 0 HA GLU A 47 5.156 10.516 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.296 12.129 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.341 12.209 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.698 10.982 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.672 10.757 6.339 1.00 0.00 H new ATOM 701 N ALA A 48 2.608 8.502 7.516 1.00 0.00 N ATOM 702 CA ALA A 48 1.653 7.686 8.261 1.00 0.00 C ATOM 703 C ALA A 48 2.313 6.956 9.434 1.00 0.00 C ATOM 704 O ALA A 48 1.813 7.029 10.559 1.00 0.00 O ATOM 705 CB ALA A 48 0.964 6.686 7.337 1.00 0.00 C ATOM 0 H ALA A 48 2.665 8.280 6.522 1.00 0.00 H new ATOM 0 HA ALA A 48 0.905 8.363 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.257 6.088 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.432 7.223 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.711 6.032 6.887 1.00 0.00 H new ATOM 711 N PHE A 49 3.432 6.253 9.195 1.00 0.00 N ATOM 712 CA PHE A 49 4.106 5.551 10.296 1.00 0.00 C ATOM 713 C PHE A 49 5.609 5.853 10.401 1.00 0.00 C ATOM 714 O PHE A 49 6.134 5.904 11.517 1.00 0.00 O ATOM 715 CB PHE A 49 3.854 4.029 10.233 1.00 0.00 C ATOM 716 CG PHE A 49 4.396 3.322 9.014 1.00 0.00 C ATOM 717 CD1 PHE A 49 5.714 2.888 8.971 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.576 3.060 7.927 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.203 2.218 7.868 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.060 2.384 6.824 1.00 0.00 C ATOM 721 CZ PHE A 49 5.376 1.963 6.795 1.00 0.00 C ATOM 0 H PHE A 49 3.876 6.157 8.282 1.00 0.00 H new ATOM 0 HA PHE A 49 3.656 5.944 11.208 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.292 3.571 11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.779 3.856 10.282 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.365 3.077 9.812 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.547 3.388 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.233 1.894 7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.410 2.185 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.756 1.435 5.933 1.00 0.00 H new ATOM 731 N ASP A 50 6.304 6.078 9.273 1.00 0.00 N ATOM 732 CA ASP A 50 7.754 6.350 9.325 1.00 0.00 C ATOM 733 C ASP A 50 8.345 6.646 7.940 1.00 0.00 C ATOM 734 O ASP A 50 8.734 7.782 7.662 1.00 0.00 O ATOM 735 CB ASP A 50 8.514 5.178 9.968 1.00 0.00 C ATOM 736 CG ASP A 50 9.934 5.554 10.365 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.126 6.098 11.475 1.00 0.00 O ATOM 738 OD2 ASP A 50 10.871 5.313 9.582 1.00 0.00 O ATOM 0 H ASP A 50 5.900 6.078 8.336 1.00 0.00 H new ATOM 0 HA ASP A 50 7.876 7.242 9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.972 4.837 10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.545 4.342 9.270 1.00 0.00 H new ATOM 743 N ILE A 51 8.416 5.631 7.073 1.00 0.00 N ATOM 744 CA ILE A 51 9.005 5.797 5.734 1.00 0.00 C ATOM 745 C ILE A 51 8.126 5.174 4.660 1.00 0.00 C ATOM 746 O ILE A 51 7.178 4.443 4.958 1.00 0.00 O ATOM 747 CB ILE A 51 10.437 5.190 5.593 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.441 3.648 5.743 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.410 5.834 6.573 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.104 3.133 7.131 1.00 0.00 C ATOM 0 H ILE A 51 8.076 4.690 7.270 1.00 0.00 H new ATOM 0 HA ILE A 51 9.077 6.876 5.600 1.00 0.00 H new ATOM 0 HB ILE A 51 10.773 5.414 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.728 3.228 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.426 3.274 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.398 5.390 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.467 6.905 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.062 5.668 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.133 2.043 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.831 3.516 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.106 3.469 7.411 1.00 0.00 H new ATOM 762 N GLU A 52 8.458 5.475 3.408 1.00 0.00 N ATOM 763 CA GLU A 52 7.787 4.889 2.256 1.00 0.00 C ATOM 764 C GLU A 52 8.618 3.744 1.683 1.00 0.00 C ATOM 765 O GLU A 52 9.773 3.544 2.066 1.00 0.00 O ATOM 766 CB GLU A 52 7.474 5.954 1.181 1.00 0.00 C ATOM 767 CG GLU A 52 8.457 7.123 1.108 1.00 0.00 C ATOM 768 CD GLU A 52 9.870 6.715 0.724 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.128 6.523 -0.483 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.731 6.594 1.625 1.00 0.00 O ATOM 0 H GLU A 52 9.200 6.132 3.165 1.00 0.00 H new ATOM 0 HA GLU A 52 6.832 4.483 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.445 5.465 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.476 6.352 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.089 7.850 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.484 7.624 2.076 1.00 0.00 H new ATOM 777 N PHE A 53 8.009 2.984 0.784 1.00 0.00 N ATOM 778 CA PHE A 53 8.629 1.792 0.218 1.00 0.00 C ATOM 779 C PHE A 53 9.924 2.131 -0.535 1.00 0.00 C ATOM 780 O PHE A 53 9.923 2.982 -1.428 1.00 0.00 O ATOM 781 CB PHE A 53 7.636 1.101 -0.719 1.00 0.00 C ATOM 782 CG PHE A 53 6.326 0.766 -0.049 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.283 -0.128 1.012 1.00 0.00 C ATOM 784 CD2 PHE A 53 5.144 1.354 -0.473 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.085 -0.429 1.635 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.945 1.057 0.147 1.00 0.00 C ATOM 787 CZ PHE A 53 3.916 0.164 1.200 1.00 0.00 C ATOM 0 H PHE A 53 7.073 3.175 0.426 1.00 0.00 H new ATOM 0 HA PHE A 53 8.893 1.121 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.444 1.747 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.085 0.185 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.195 -0.594 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.160 2.052 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.064 -1.126 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.031 1.523 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.979 -0.071 1.683 1.00 0.00 H new ATOM 797 N PRO A 54 11.050 1.478 -0.168 1.00 0.00 N ATOM 798 CA PRO A 54 12.343 1.681 -0.839 1.00 0.00 C ATOM 799 C PRO A 54 12.379 1.047 -2.233 1.00 0.00 C ATOM 800 O PRO A 54 11.633 0.104 -2.517 1.00 0.00 O ATOM 801 CB PRO A 54 13.337 0.988 0.101 1.00 0.00 C ATOM 802 CG PRO A 54 12.536 -0.079 0.761 1.00 0.00 C ATOM 803 CD PRO A 54 11.158 0.505 0.943 1.00 0.00 C ATOM 0 HA PRO A 54 12.561 2.736 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.180 0.570 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.748 1.686 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.502 -0.980 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.972 -0.361 1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.385 -0.261 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.052 0.989 1.914 1.00 0.00 H new ATOM 811 N ASP A 55 13.272 1.562 -3.082 1.00 0.00 N ATOM 812 CA ASP A 55 13.391 1.121 -4.479 1.00 0.00 C ATOM 813 C ASP A 55 13.509 -0.395 -4.578 1.00 0.00 C ATOM 814 O ASP A 55 12.947 -1.014 -5.484 1.00 0.00 O ATOM 815 CB ASP A 55 14.609 1.776 -5.148 1.00 0.00 C ATOM 816 CG ASP A 55 14.517 3.292 -5.182 1.00 0.00 C ATOM 817 OD1 ASP A 55 14.859 3.935 -4.166 1.00 0.00 O ATOM 818 OD2 ASP A 55 14.105 3.850 -6.223 1.00 0.00 O ATOM 0 H ASP A 55 13.933 2.295 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 55 12.483 1.430 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.513 1.483 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.705 1.399 -6.166 1.00 0.00 H new ATOM 823 N ASN A 56 14.226 -0.978 -3.620 1.00 0.00 N ATOM 824 CA ASN A 56 14.476 -2.422 -3.577 1.00 0.00 C ATOM 825 C ASN A 56 13.210 -3.242 -3.829 1.00 0.00 C ATOM 826 O ASN A 56 13.245 -4.240 -4.554 1.00 0.00 O ATOM 827 CB ASN A 56 15.078 -2.810 -2.217 1.00 0.00 C ATOM 828 CG ASN A 56 15.225 -4.318 -2.041 1.00 0.00 C ATOM 829 OD1 ASN A 56 14.323 -4.989 -1.531 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.355 -4.861 -2.463 1.00 0.00 N ATOM 0 H ASN A 56 14.652 -0.464 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 56 15.179 -2.650 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.056 -2.340 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.447 -2.416 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.503 -5.866 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.078 -4.275 -2.880 1.00 0.00 H new ATOM 837 N LEU A 57 12.090 -2.817 -3.251 1.00 0.00 N ATOM 838 CA LEU A 57 10.863 -3.611 -3.298 1.00 0.00 C ATOM 839 C LEU A 57 9.744 -2.897 -4.057 1.00 0.00 C ATOM 840 O LEU A 57 8.596 -3.344 -4.040 1.00 0.00 O ATOM 841 CB LEU A 57 10.421 -3.974 -1.866 1.00 0.00 C ATOM 842 CG LEU A 57 10.199 -2.790 -0.901 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.876 -2.085 -1.177 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.260 -3.256 0.549 1.00 0.00 C ATOM 0 H LEU A 57 12.005 -1.934 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 57 11.075 -4.528 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.494 -4.544 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.173 -4.633 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 57 11.002 -2.073 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.753 -1.257 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.873 -1.703 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.055 -2.791 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.101 -2.405 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.485 -4.002 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.238 -3.694 0.750 1.00 0.00 H new ATOM 856 N LEU A 58 10.077 -1.806 -4.746 1.00 0.00 N ATOM 857 CA LEU A 58 9.077 -1.053 -5.511 1.00 0.00 C ATOM 858 C LEU A 58 8.549 -1.859 -6.703 1.00 0.00 C ATOM 859 O LEU A 58 7.670 -1.392 -7.430 1.00 0.00 O ATOM 860 CB LEU A 58 9.631 0.301 -5.985 1.00 0.00 C ATOM 861 CG LEU A 58 9.779 1.372 -4.892 1.00 0.00 C ATOM 862 CD1 LEU A 58 10.326 2.672 -5.474 1.00 0.00 C ATOM 863 CD2 LEU A 58 8.444 1.619 -4.193 1.00 0.00 C ATOM 0 H LEU A 58 11.022 -1.424 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 58 8.243 -0.863 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.607 0.135 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.976 0.690 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 58 10.491 1.003 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.422 3.414 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.304 2.488 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.644 3.044 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.572 2.380 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.709 1.960 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.097 0.693 -3.734 1.00 0.00 H new ATOM 875 N ASN A 59 9.099 -3.055 -6.910 1.00 0.00 N ATOM 876 CA ASN A 59 8.565 -3.984 -7.906 1.00 0.00 C ATOM 877 C ASN A 59 7.096 -4.295 -7.593 1.00 0.00 C ATOM 878 O ASN A 59 6.721 -4.455 -6.427 1.00 0.00 O ATOM 879 CB ASN A 59 9.404 -5.277 -7.956 1.00 0.00 C ATOM 880 CG ASN A 59 9.258 -6.180 -6.731 1.00 0.00 C ATOM 881 OD1 ASN A 59 9.433 -7.397 -6.828 1.00 0.00 O ATOM 882 ND2 ASN A 59 8.930 -5.614 -5.580 1.00 0.00 N ATOM 0 H ASN A 59 9.912 -3.403 -6.403 1.00 0.00 H new ATOM 0 HA ASN A 59 8.621 -3.516 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.122 -5.843 -8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.454 -5.009 -8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.816 -6.187 -4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.791 -4.605 -5.529 1.00 0.00 H new ATOM 889 N ARG A 60 6.272 -4.382 -8.630 1.00 0.00 N ATOM 890 CA ARG A 60 4.823 -4.514 -8.455 1.00 0.00 C ATOM 891 C ARG A 60 4.457 -5.859 -7.815 1.00 0.00 C ATOM 892 O ARG A 60 3.341 -6.039 -7.322 1.00 0.00 O ATOM 893 CB ARG A 60 4.109 -4.335 -9.803 1.00 0.00 C ATOM 894 CG ARG A 60 4.223 -5.531 -10.747 1.00 0.00 C ATOM 895 CD ARG A 60 3.798 -5.177 -12.172 1.00 0.00 C ATOM 896 NE ARG A 60 2.610 -4.315 -12.206 1.00 0.00 N ATOM 897 CZ ARG A 60 1.589 -4.472 -13.045 1.00 0.00 C ATOM 898 NH1 ARG A 60 1.535 -5.523 -13.852 1.00 0.00 N ATOM 899 NH2 ARG A 60 0.606 -3.582 -13.059 1.00 0.00 N ATOM 0 H ARG A 60 6.578 -4.364 -9.603 1.00 0.00 H new ATOM 0 HA ARG A 60 4.489 -3.729 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.054 -4.135 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.517 -3.455 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.252 -5.891 -10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.603 -6.347 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.622 -4.675 -12.679 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.594 -6.094 -12.725 1.00 0.00 H new ATOM 0 HE ARG A 60 2.564 -3.543 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.280 -6.219 -13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.748 -5.635 -14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.634 -2.781 -12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.178 -3.699 -13.701 1.00 0.00 H new ATOM 913 N LYS A 61 5.407 -6.791 -7.823 1.00 0.00 N ATOM 914 CA LYS A 61 5.229 -8.103 -7.198 1.00 0.00 C ATOM 915 C LYS A 61 4.908 -7.967 -5.710 1.00 0.00 C ATOM 916 O LYS A 61 3.994 -8.616 -5.198 1.00 0.00 O ATOM 917 CB LYS A 61 6.496 -8.954 -7.399 1.00 0.00 C ATOM 918 CG LYS A 61 6.550 -10.239 -6.564 1.00 0.00 C ATOM 919 CD LYS A 61 7.395 -10.080 -5.295 1.00 0.00 C ATOM 920 CE LYS A 61 7.572 -11.405 -4.554 1.00 0.00 C ATOM 921 NZ LYS A 61 6.274 -11.993 -4.121 1.00 0.00 N ATOM 0 H LYS A 61 6.319 -6.661 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 61 4.385 -8.600 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.574 -9.220 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.367 -8.345 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.537 -10.532 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.960 -11.046 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.374 -9.679 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.922 -9.355 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.090 -12.113 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.205 -11.248 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.451 -12.854 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.758 -11.304 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.705 -12.232 -4.958 1.00 0.00 H new ATOM 935 N SER A 62 5.662 -7.118 -5.024 1.00 0.00 N ATOM 936 CA SER A 62 5.501 -6.942 -3.588 1.00 0.00 C ATOM 937 C SER A 62 4.187 -6.222 -3.272 1.00 0.00 C ATOM 938 O SER A 62 3.500 -6.560 -2.307 1.00 0.00 O ATOM 939 CB SER A 62 6.697 -6.175 -3.027 1.00 0.00 C ATOM 940 OG SER A 62 7.912 -6.857 -3.307 1.00 0.00 O ATOM 0 H SER A 62 6.392 -6.540 -5.440 1.00 0.00 H new ATOM 0 HA SER A 62 5.460 -7.922 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.728 -5.175 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.583 -6.053 -1.950 1.00 0.00 H new ATOM 0 HG SER A 62 8.645 -6.438 -2.809 1.00 0.00 H new ATOM 946 N PHE A 63 3.836 -5.238 -4.100 1.00 0.00 N ATOM 947 CA PHE A 63 2.559 -4.529 -3.964 1.00 0.00 C ATOM 948 C PHE A 63 1.377 -5.468 -4.215 1.00 0.00 C ATOM 949 O PHE A 63 0.245 -5.172 -3.830 1.00 0.00 O ATOM 950 CB PHE A 63 2.491 -3.342 -4.935 1.00 0.00 C ATOM 951 CG PHE A 63 3.431 -2.215 -4.584 1.00 0.00 C ATOM 952 CD1 PHE A 63 3.048 -1.235 -3.678 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.690 -2.133 -5.158 1.00 0.00 C ATOM 954 CE1 PHE A 63 3.901 -0.199 -3.355 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.546 -1.098 -4.836 1.00 0.00 C ATOM 956 CZ PHE A 63 5.151 -0.129 -3.934 1.00 0.00 C ATOM 0 H PHE A 63 4.417 -4.912 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 63 2.497 -4.157 -2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.720 -3.694 -5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.471 -2.959 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.071 -1.284 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.005 -2.887 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.590 0.557 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.525 -1.046 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.819 0.681 -3.683 1.00 0.00 H new ATOM 966 N ALA A 64 1.648 -6.600 -4.863 1.00 0.00 N ATOM 967 CA ALA A 64 0.613 -7.586 -5.171 1.00 0.00 C ATOM 968 C ALA A 64 0.313 -8.475 -3.962 1.00 0.00 C ATOM 969 O ALA A 64 -0.515 -9.386 -4.041 1.00 0.00 O ATOM 970 CB ALA A 64 1.030 -8.429 -6.373 1.00 0.00 C ATOM 0 H ALA A 64 2.580 -6.858 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.303 -7.050 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.251 -9.160 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.175 -7.782 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.962 -8.948 -6.148 1.00 0.00 H new ATOM 976 N SER A 65 0.997 -8.213 -2.850 1.00 0.00 N ATOM 977 CA SER A 65 0.761 -8.937 -1.606 1.00 0.00 C ATOM 978 C SER A 65 1.158 -8.075 -0.404 1.00 0.00 C ATOM 979 O SER A 65 2.310 -8.087 0.042 1.00 0.00 O ATOM 980 CB SER A 65 1.520 -10.270 -1.612 1.00 0.00 C ATOM 981 OG SER A 65 2.880 -10.098 -1.976 1.00 0.00 O ATOM 0 H SER A 65 1.723 -7.500 -2.787 1.00 0.00 H new ATOM 0 HA SER A 65 -0.303 -9.158 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.463 -10.726 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.041 -10.958 -2.309 1.00 0.00 H new ATOM 0 HG SER A 65 3.247 -9.318 -1.510 1.00 0.00 H new ATOM 987 N ILE A 66 0.184 -7.334 0.117 1.00 0.00 N ATOM 988 CA ILE A 66 0.431 -6.344 1.163 1.00 0.00 C ATOM 989 C ILE A 66 1.050 -6.972 2.413 1.00 0.00 C ATOM 990 O ILE A 66 2.010 -6.438 2.969 1.00 0.00 O ATOM 991 CB ILE A 66 -0.871 -5.599 1.552 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.461 -4.871 0.332 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.621 -4.619 2.696 1.00 0.00 C ATOM 994 CD1 ILE A 66 -0.527 -3.855 -0.294 1.00 0.00 C ATOM 0 H ILE A 66 -0.792 -7.401 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 66 1.142 -5.630 0.749 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.594 -6.338 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.734 -5.610 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.380 -4.367 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.551 -4.110 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.256 -5.163 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.123 -3.884 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.018 -3.387 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.273 -3.092 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.383 -4.354 -0.628 1.00 0.00 H new ATOM 1006 N LYS A 67 0.509 -8.110 2.843 1.00 0.00 N ATOM 1007 CA LYS A 67 0.982 -8.771 4.064 1.00 0.00 C ATOM 1008 C LYS A 67 2.478 -9.104 3.978 1.00 0.00 C ATOM 1009 O LYS A 67 3.166 -9.189 4.999 1.00 0.00 O ATOM 1010 CB LYS A 67 0.173 -10.047 4.365 1.00 0.00 C ATOM 1011 CG LYS A 67 0.439 -11.214 3.415 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.236 -11.036 2.057 1.00 0.00 C ATOM 1013 CE LYS A 67 0.088 -12.195 1.120 1.00 0.00 C ATOM 1014 NZ LYS A 67 -0.226 -13.517 1.733 1.00 0.00 N ATOM 0 H LYS A 67 -0.254 -8.594 2.369 1.00 0.00 H new ATOM 0 HA LYS A 67 0.832 -8.068 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.393 -10.368 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.889 -9.804 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.514 -11.321 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.085 -12.138 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.315 -10.965 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.091 -10.099 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.477 -12.082 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.145 -12.161 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.303 -14.237 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.533 -13.783 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.127 -13.455 2.248 1.00 0.00 H new ATOM 1028 N ALA A 68 2.973 -9.305 2.760 1.00 0.00 N ATOM 1029 CA ALA A 68 4.378 -9.640 2.546 1.00 0.00 C ATOM 1030 C ALA A 68 5.244 -8.382 2.572 1.00 0.00 C ATOM 1031 O ALA A 68 6.221 -8.302 3.319 1.00 0.00 O ATOM 1032 CB ALA A 68 4.549 -10.382 1.225 1.00 0.00 C ATOM 0 H ALA A 68 2.421 -9.242 1.905 1.00 0.00 H new ATOM 0 HA ALA A 68 4.704 -10.293 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.601 -10.626 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.963 -11.301 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.205 -9.751 0.406 1.00 0.00 H new ATOM 1038 N ILE A 69 4.863 -7.392 1.768 1.00 0.00 N ATOM 1039 CA ILE A 69 5.631 -6.152 1.647 1.00 0.00 C ATOM 1040 C ILE A 69 5.679 -5.403 2.983 1.00 0.00 C ATOM 1041 O ILE A 69 6.673 -4.751 3.313 1.00 0.00 O ATOM 1042 CB ILE A 69 5.047 -5.237 0.533 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.948 -4.014 0.290 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.626 -4.795 0.873 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.469 -3.122 -0.841 1.00 0.00 C ATOM 0 H ILE A 69 4.024 -7.423 1.188 1.00 0.00 H new ATOM 0 HA ILE A 69 6.650 -6.421 1.368 1.00 0.00 H new ATOM 0 HB ILE A 69 5.011 -5.821 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.004 -3.426 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.959 -4.356 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.243 -4.157 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.987 -5.672 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.632 -4.240 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.152 -2.280 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.440 -3.694 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.470 -2.750 -0.613 1.00 0.00 H new ATOM 1057 N GLU A 70 4.605 -5.524 3.761 1.00 0.00 N ATOM 1058 CA GLU A 70 4.523 -4.879 5.070 1.00 0.00 C ATOM 1059 C GLU A 70 5.498 -5.535 6.046 1.00 0.00 C ATOM 1060 O GLU A 70 5.961 -4.913 6.999 1.00 0.00 O ATOM 1061 CB GLU A 70 3.082 -4.917 5.607 1.00 0.00 C ATOM 1062 CG GLU A 70 2.626 -6.273 6.142 1.00 0.00 C ATOM 1063 CD GLU A 70 2.853 -6.426 7.637 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.304 -5.606 8.408 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.586 -7.345 8.049 1.00 0.00 O ATOM 0 H GLU A 70 3.778 -6.064 3.507 1.00 0.00 H new ATOM 0 HA GLU A 70 4.806 -3.832 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.988 -4.179 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.405 -4.612 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.566 -6.406 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.160 -7.064 5.616 1.00 0.00 H new ATOM 1072 N ASP A 71 5.784 -6.810 5.824 1.00 0.00 N ATOM 1073 CA ASP A 71 6.751 -7.519 6.649 1.00 0.00 C ATOM 1074 C ASP A 71 8.159 -7.035 6.328 1.00 0.00 C ATOM 1075 O ASP A 71 9.017 -6.951 7.207 1.00 0.00 O ATOM 1076 CB ASP A 71 6.654 -9.031 6.438 1.00 0.00 C ATOM 1077 CG ASP A 71 7.519 -9.795 7.425 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.110 -9.907 8.602 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.613 -10.273 7.041 1.00 0.00 O ATOM 0 H ASP A 71 5.363 -7.372 5.084 1.00 0.00 H new ATOM 0 HA ASP A 71 6.526 -7.309 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.616 -9.347 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.960 -9.276 5.421 1.00 0.00 H new ATOM 1084 N THR A 72 8.377 -6.692 5.065 1.00 0.00 N ATOM 1085 CA THR A 72 9.679 -6.236 4.604 1.00 0.00 C ATOM 1086 C THR A 72 10.004 -4.840 5.148 1.00 0.00 C ATOM 1087 O THR A 72 11.161 -4.540 5.450 1.00 0.00 O ATOM 1088 CB THR A 72 9.733 -6.228 3.060 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.231 -7.473 2.555 1.00 0.00 O ATOM 1090 CG2 THR A 72 11.159 -6.018 2.555 1.00 0.00 C ATOM 0 H THR A 72 7.662 -6.722 4.338 1.00 0.00 H new ATOM 0 HA THR A 72 10.428 -6.932 4.982 1.00 0.00 H new ATOM 0 HB THR A 72 9.117 -5.402 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.264 -7.466 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.163 -6.017 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.537 -5.063 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.796 -6.824 2.920 1.00 0.00 H new ATOM 1098 N VAL A 73 8.982 -3.991 5.292 1.00 0.00 N ATOM 1099 CA VAL A 73 9.191 -2.630 5.792 1.00 0.00 C ATOM 1100 C VAL A 73 9.700 -2.657 7.238 1.00 0.00 C ATOM 1101 O VAL A 73 10.410 -1.746 7.669 1.00 0.00 O ATOM 1102 CB VAL A 73 7.913 -1.746 5.686 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.859 -2.154 6.707 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.260 -0.263 5.829 1.00 0.00 C ATOM 0 H VAL A 73 8.012 -4.219 5.072 1.00 0.00 H new ATOM 0 HA VAL A 73 9.948 -2.176 5.152 1.00 0.00 H new ATOM 0 HB VAL A 73 7.489 -1.906 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.983 -1.514 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.572 -3.192 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.266 -2.048 7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.350 0.333 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.725 -0.090 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.952 0.027 5.038 1.00 0.00 H new ATOM 1114 N LYS A 74 9.337 -3.711 7.983 1.00 0.00 N ATOM 1115 CA LYS A 74 9.838 -3.901 9.349 1.00 0.00 C ATOM 1116 C LYS A 74 11.356 -3.806 9.367 1.00 0.00 C ATOM 1117 O LYS A 74 11.945 -3.097 10.183 1.00 0.00 O ATOM 1118 CB LYS A 74 9.450 -5.278 9.901 1.00 0.00 C ATOM 1119 CG LYS A 74 7.957 -5.539 10.019 1.00 0.00 C ATOM 1120 CD LYS A 74 7.704 -6.853 10.752 1.00 0.00 C ATOM 1121 CE LYS A 74 6.224 -7.152 10.906 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.601 -7.569 9.625 1.00 0.00 N ATOM 0 H LYS A 74 8.701 -4.441 7.663 1.00 0.00 H new ATOM 0 HA LYS A 74 9.392 -3.121 9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.885 -6.043 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.901 -5.395 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.479 -4.719 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.508 -5.576 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.182 -7.668 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.168 -6.812 11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.089 -7.940 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.714 -6.267 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.612 -7.844 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.630 -6.778 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.123 -8.378 9.232 1.00 0.00 H new ATOM 1136 N LEU A 75 11.968 -4.541 8.448 1.00 0.00 N ATOM 1137 CA LEU A 75 13.426 -4.618 8.333 1.00 0.00 C ATOM 1138 C LEU A 75 14.057 -3.227 8.243 1.00 0.00 C ATOM 1139 O LEU A 75 15.182 -3.021 8.700 1.00 0.00 O ATOM 1140 CB LEU A 75 13.808 -5.454 7.105 1.00 0.00 C ATOM 1141 CG LEU A 75 13.232 -6.881 7.081 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.628 -7.604 5.797 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.683 -7.671 8.310 1.00 0.00 C ATOM 0 H LEU A 75 11.470 -5.103 7.758 1.00 0.00 H new ATOM 0 HA LEU A 75 13.811 -5.098 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.474 -4.929 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.895 -5.517 7.051 1.00 0.00 H new ATOM 0 HG LEU A 75 12.145 -6.807 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.210 -8.611 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.243 -7.056 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.715 -7.663 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.263 -8.676 8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.771 -7.732 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.336 -7.168 9.213 1.00 0.00 H new ATOM 1155 N ILE A 76 13.327 -2.277 7.660 1.00 0.00 N ATOM 1156 CA ILE A 76 13.807 -0.901 7.540 1.00 0.00 C ATOM 1157 C ILE A 76 13.884 -0.249 8.921 1.00 0.00 C ATOM 1158 O ILE A 76 14.817 0.497 9.219 1.00 0.00 O ATOM 1159 CB ILE A 76 12.886 -0.052 6.627 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.686 -0.740 5.263 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.461 1.354 6.441 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.708 -0.022 4.358 1.00 0.00 C ATOM 0 H ILE A 76 12.401 -2.435 7.263 1.00 0.00 H new ATOM 0 HA ILE A 76 14.799 -0.939 7.089 1.00 0.00 H new ATOM 0 HB ILE A 76 11.913 0.035 7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.649 -0.813 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.335 -1.759 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.801 1.935 5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.545 1.844 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.447 1.286 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.618 -0.564 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.733 0.028 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.068 0.988 4.162 1.00 0.00 H new ATOM 1174 N LEU A 77 12.899 -0.551 9.761 1.00 0.00 N ATOM 1175 CA LEU A 77 12.838 -0.008 11.117 1.00 0.00 C ATOM 1176 C LEU A 77 13.829 -0.733 12.024 1.00 0.00 C ATOM 1177 O LEU A 77 14.376 -0.145 12.962 1.00 0.00 O ATOM 1178 CB LEU A 77 11.415 -0.136 11.679 1.00 0.00 C ATOM 1179 CG LEU A 77 10.316 0.560 10.857 1.00 0.00 C ATOM 1180 CD1 LEU A 77 8.949 0.374 11.511 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.633 2.042 10.678 1.00 0.00 C ATOM 0 H LEU A 77 12.126 -1.173 9.526 1.00 0.00 H new ATOM 0 HA LEU A 77 13.106 1.048 11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.169 -1.195 11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.403 0.273 12.689 1.00 0.00 H new ATOM 0 HG LEU A 77 10.285 0.097 9.871 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.188 0.875 10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.718 -0.689 11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.963 0.804 12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.843 2.515 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.698 2.521 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.584 2.150 10.157 1.00 0.00 H new ATOM 1193 N ASP A 78 14.046 -2.014 11.744 1.00 0.00 N ATOM 1194 CA ASP A 78 15.035 -2.807 12.471 1.00 0.00 C ATOM 1195 C ASP A 78 16.440 -2.344 12.110 1.00 0.00 C ATOM 1196 O ASP A 78 17.335 -2.291 12.958 1.00 0.00 O ATOM 1197 CB ASP A 78 14.873 -4.300 12.150 1.00 0.00 C ATOM 1198 CG ASP A 78 15.970 -5.153 12.776 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.910 -5.408 13.999 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.908 -5.556 12.057 1.00 0.00 O ATOM 0 H ASP A 78 13.549 -2.528 11.016 1.00 0.00 H new ATOM 0 HA ASP A 78 14.876 -2.665 13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.902 -4.642 12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.881 -4.439 11.069 1.00 0.00 H new ATOM 1205 N GLY A 79 16.617 -1.995 10.842 1.00 0.00 N ATOM 1206 CA GLY A 79 17.899 -1.524 10.357 1.00 0.00 C ATOM 1207 C GLY A 79 17.925 -0.020 10.186 1.00 0.00 C ATOM 1208 O GLY A 79 18.534 0.486 9.242 1.00 0.00 O ATOM 0 H GLY A 79 15.885 -2.031 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.682 -1.823 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.123 -2.001 9.403 1.00 0.00 H new