USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 532 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 37 LYS NZ :NH3+ 134:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 39 THR OG1 : rot -100:sc= 1.02 USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.623 (180deg=0.12) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 4 MET CE :methyl -142:sc= -0.0936 (180deg=-0.537) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 0.958 (180deg=-0.957!) USER MOD Single : A 12 HIS : no HD1:sc= -2.25 X(o=-2.2,f=-2.3) USER MOD Single : A 13 SER OG : rot -72:sc= -0.762 USER MOD Single : A 15 TYR OH : rot -126:sc= 0.82 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= -0.0655 (180deg=-0.177) USER MOD Single : A 28 MET CE :methyl 142:sc= -0.292 (180deg=-0.939) USER MOD Single : A 30 ASN : amide:sc= -0.581 X(o=-0.58,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -0.0436 X(o=-0.044,f=-0.28) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -116:sc= -0.747 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.662 (180deg=0.594) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.788 0.706 -2.955 1.00 0.00 N ATOM 2 CA MET A 1 2.814 0.084 -2.024 1.00 0.00 C ATOM 3 C MET A 1 2.837 -1.439 -2.200 1.00 0.00 C ATOM 4 O MET A 1 2.868 -1.933 -3.326 1.00 0.00 O ATOM 5 CB MET A 1 1.407 0.635 -2.294 1.00 0.00 C ATOM 6 CG MET A 1 1.285 2.144 -2.129 1.00 0.00 C ATOM 7 SD MET A 1 -0.319 2.772 -2.672 1.00 0.00 S ATOM 8 CE MET A 1 -0.157 4.515 -2.288 1.00 0.00 C ATOM 0 H1 MET A 1 4.000 1.674 -2.640 1.00 0.00 H new ATOM 0 H2 MET A 1 4.664 0.146 -2.966 1.00 0.00 H new ATOM 0 H3 MET A 1 3.384 0.734 -3.913 1.00 0.00 H new ATOM 0 HA MET A 1 3.088 0.325 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.113 0.367 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.703 0.149 -1.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.438 2.405 -1.082 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.075 2.634 -2.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.073 5.036 -2.568 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.017 4.637 -1.219 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.683 4.933 -2.843 1.00 0.00 H new ATOM 18 N LYS A 2 2.815 -2.179 -1.089 1.00 0.00 N ATOM 19 CA LYS A 2 3.058 -3.625 -1.111 1.00 0.00 C ATOM 20 C LYS A 2 1.982 -4.408 -0.341 1.00 0.00 C ATOM 21 O LYS A 2 1.880 -4.304 0.885 1.00 0.00 O ATOM 22 CB LYS A 2 4.447 -3.896 -0.510 1.00 0.00 C ATOM 23 CG LYS A 2 4.873 -5.363 -0.502 1.00 0.00 C ATOM 24 CD LYS A 2 6.226 -5.534 0.188 1.00 0.00 C ATOM 25 CE LYS A 2 6.659 -6.995 0.273 1.00 0.00 C ATOM 26 NZ LYS A 2 6.908 -7.592 -1.064 1.00 0.00 N ATOM 0 H LYS A 2 2.631 -1.800 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 2 3.015 -3.968 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.186 -3.322 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.462 -3.524 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.120 -5.962 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.932 -5.734 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.981 -4.966 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.173 -5.115 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.565 -7.068 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.888 -7.570 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.264 -8.562 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.021 -7.610 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.614 -7.022 -1.573 1.00 0.00 H new ATOM 40 N VAL A 3 1.171 -5.177 -1.069 1.00 0.00 N ATOM 41 CA VAL A 3 0.216 -6.109 -0.461 1.00 0.00 C ATOM 42 C VAL A 3 0.143 -7.390 -1.288 1.00 0.00 C ATOM 43 O VAL A 3 -0.008 -7.335 -2.507 1.00 0.00 O ATOM 44 CB VAL A 3 -1.211 -5.501 -0.330 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.769 -5.087 -1.692 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.160 -6.478 0.362 1.00 0.00 C ATOM 0 H VAL A 3 1.156 -5.173 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 3 0.577 -6.325 0.545 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.129 -4.605 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.766 -4.667 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.115 -4.340 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.824 -5.959 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.150 -6.029 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.224 -7.397 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.784 -6.706 1.359 1.00 0.00 H new ATOM 56 N MET A 4 0.259 -8.535 -0.628 1.00 0.00 N ATOM 57 CA MET A 4 0.199 -9.824 -1.312 1.00 0.00 C ATOM 58 C MET A 4 -1.178 -10.449 -1.132 1.00 0.00 C ATOM 59 O MET A 4 -1.557 -10.824 -0.022 1.00 0.00 O ATOM 60 CB MET A 4 1.276 -10.779 -0.773 1.00 0.00 C ATOM 61 CG MET A 4 1.292 -12.140 -1.468 1.00 0.00 C ATOM 62 SD MET A 4 2.490 -13.285 -0.751 1.00 0.00 S ATOM 63 CE MET A 4 4.019 -12.374 -0.969 1.00 0.00 C ATOM 0 H MET A 4 0.395 -8.599 0.381 1.00 0.00 H new ATOM 0 HA MET A 4 0.383 -9.655 -2.373 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.254 -10.311 -0.887 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.116 -10.928 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.297 -12.582 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.520 -11.999 -2.525 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.820 -13.065 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.895 -11.641 -1.766 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.272 -11.861 -0.041 1.00 0.00 H new ATOM 73 N ILE A 5 -1.931 -10.541 -2.220 1.00 0.00 N ATOM 74 CA ILE A 5 -3.247 -11.163 -2.188 1.00 0.00 C ATOM 75 C ILE A 5 -3.106 -12.666 -2.406 1.00 0.00 C ATOM 76 O ILE A 5 -2.455 -13.099 -3.357 1.00 0.00 O ATOM 77 CB ILE A 5 -4.191 -10.576 -3.269 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.220 -9.039 -3.188 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.603 -11.150 -3.122 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.725 -8.494 -1.866 1.00 0.00 C ATOM 0 H ILE A 5 -1.652 -10.192 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.686 -10.959 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.806 -10.860 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.214 -8.658 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.851 -8.656 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.250 -10.726 -3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.569 -12.234 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.997 -10.900 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.713 -7.404 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.744 -8.842 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.082 -8.844 -1.059 1.00 0.00 H new ATOM 92 N ARG A 6 -3.718 -13.453 -1.533 1.00 0.00 N ATOM 93 CA ARG A 6 -3.655 -14.908 -1.629 1.00 0.00 C ATOM 94 C ARG A 6 -4.894 -15.409 -2.353 1.00 0.00 C ATOM 95 O ARG A 6 -6.016 -15.003 -2.037 1.00 0.00 O ATOM 96 CB ARG A 6 -3.554 -15.531 -0.231 1.00 0.00 C ATOM 97 CG ARG A 6 -2.444 -14.927 0.631 1.00 0.00 C ATOM 98 CD ARG A 6 -2.527 -15.385 2.085 1.00 0.00 C ATOM 99 NE ARG A 6 -2.185 -16.802 2.260 1.00 0.00 N ATOM 100 CZ ARG A 6 -2.897 -17.659 2.998 1.00 0.00 C ATOM 101 NH1 ARG A 6 -4.080 -17.297 3.485 1.00 0.00 N ATOM 102 NH2 ARG A 6 -2.442 -18.887 3.214 1.00 0.00 N ATOM 0 H ARG A 6 -4.267 -13.108 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.767 -15.200 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.508 -15.408 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.382 -16.603 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.474 -15.206 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.506 -13.840 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.855 -14.777 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.537 -15.212 2.458 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.352 -17.154 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.446 -16.364 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.622 -17.952 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.548 -19.177 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.986 -19.541 3.777 1.00 0.00 H new ATOM 116 N LYS A 7 -4.688 -16.286 -3.324 1.00 0.00 N ATOM 117 CA LYS A 7 -5.733 -16.611 -4.279 1.00 0.00 C ATOM 118 C LYS A 7 -6.303 -18.010 -4.052 1.00 0.00 C ATOM 119 O LYS A 7 -5.602 -19.016 -4.175 1.00 0.00 O ATOM 120 CB LYS A 7 -5.186 -16.472 -5.708 1.00 0.00 C ATOM 121 CG LYS A 7 -6.188 -15.863 -6.684 1.00 0.00 C ATOM 122 CD LYS A 7 -7.356 -16.803 -6.999 1.00 0.00 C ATOM 123 CE LYS A 7 -6.897 -18.057 -7.741 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.033 -18.953 -8.087 1.00 0.00 N ATOM 0 H LYS A 7 -3.809 -16.783 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.554 -15.908 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.289 -15.854 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.887 -17.455 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.577 -14.935 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.675 -15.605 -7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.850 -17.091 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.094 -16.275 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.375 -17.767 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.182 -18.601 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.735 -19.945 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.830 -18.766 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.329 -18.775 -9.068 1.00 0.00 H new ATOM 138 N THR A 8 -7.588 -18.037 -3.715 1.00 0.00 N ATOM 139 CA THR A 8 -8.375 -19.258 -3.632 1.00 0.00 C ATOM 140 C THR A 8 -9.818 -18.891 -3.281 1.00 0.00 C ATOM 141 O THR A 8 -10.064 -18.091 -2.372 1.00 0.00 O ATOM 142 CB THR A 8 -7.808 -20.275 -2.604 1.00 0.00 C ATOM 143 OG1 THR A 8 -8.674 -21.416 -2.509 1.00 0.00 O ATOM 144 CG2 THR A 8 -7.631 -19.650 -1.227 1.00 0.00 C ATOM 0 H THR A 8 -8.119 -17.196 -3.488 1.00 0.00 H new ATOM 0 HA THR A 8 -8.332 -19.752 -4.603 1.00 0.00 H new ATOM 0 HB THR A 8 -6.826 -20.587 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.307 -22.052 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.233 -20.395 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.939 -18.811 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.595 -19.296 -0.861 1.00 0.00 H new ATOM 152 N ALA A 9 -10.764 -19.446 -4.031 1.00 0.00 N ATOM 153 CA ALA A 9 -12.178 -19.115 -3.863 1.00 0.00 C ATOM 154 C ALA A 9 -12.685 -19.505 -2.478 1.00 0.00 C ATOM 155 O ALA A 9 -13.633 -18.912 -1.962 1.00 0.00 O ATOM 156 CB ALA A 9 -13.010 -19.798 -4.943 1.00 0.00 C ATOM 0 H ALA A 9 -10.578 -20.130 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.282 -18.034 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.061 -19.544 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.679 -19.461 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.885 -20.878 -4.869 1.00 0.00 H new ATOM 162 N THR A 10 -12.041 -20.497 -1.876 1.00 0.00 N ATOM 163 CA THR A 10 -12.466 -21.025 -0.587 1.00 0.00 C ATOM 164 C THR A 10 -11.570 -20.524 0.549 1.00 0.00 C ATOM 165 O THR A 10 -11.526 -21.123 1.629 1.00 0.00 O ATOM 166 CB THR A 10 -12.458 -22.570 -0.623 1.00 0.00 C ATOM 167 OG1 THR A 10 -11.179 -23.046 -1.074 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.552 -23.102 -1.547 1.00 0.00 C ATOM 0 H THR A 10 -11.216 -20.955 -2.264 1.00 0.00 H new ATOM 0 HA THR A 10 -13.478 -20.669 -0.396 1.00 0.00 H new ATOM 0 HB THR A 10 -12.648 -22.931 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.182 -24.026 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.524 -24.192 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.525 -22.766 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.388 -22.728 -2.558 1.00 0.00 H new ATOM 176 N GLY A 11 -10.866 -19.420 0.313 1.00 0.00 N ATOM 177 CA GLY A 11 -9.998 -18.863 1.336 1.00 0.00 C ATOM 178 C GLY A 11 -9.359 -17.554 0.916 1.00 0.00 C ATOM 179 O GLY A 11 -8.142 -17.382 1.035 1.00 0.00 O ATOM 0 H GLY A 11 -10.881 -18.903 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.574 -18.705 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.216 -19.584 1.574 1.00 0.00 H new ATOM 183 N HIS A 12 -10.177 -16.629 0.417 1.00 0.00 N ATOM 184 CA HIS A 12 -9.691 -15.305 0.034 1.00 0.00 C ATOM 185 C HIS A 12 -9.028 -14.635 1.234 1.00 0.00 C ATOM 186 O HIS A 12 -9.642 -14.499 2.290 1.00 0.00 O ATOM 187 CB HIS A 12 -10.841 -14.420 -0.478 1.00 0.00 C ATOM 188 CG HIS A 12 -11.540 -14.951 -1.697 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.814 -15.473 -1.668 1.00 0.00 N ATOM 190 CD2 HIS A 12 -11.148 -15.002 -2.991 1.00 0.00 C ATOM 191 CE1 HIS A 12 -13.173 -15.819 -2.890 1.00 0.00 C ATOM 192 NE2 HIS A 12 -12.180 -15.544 -3.714 1.00 0.00 N ATOM 0 H HIS A 12 -11.176 -16.771 0.269 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.966 -15.427 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.573 -14.299 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.447 -13.429 -0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.196 -14.676 -3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.121 -16.254 -3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.180 -15.707 -4.721 1.00 0.00 H new ATOM 201 N SER A 13 -7.774 -14.236 1.077 1.00 0.00 N ATOM 202 CA SER A 13 -7.030 -13.587 2.152 1.00 0.00 C ATOM 203 C SER A 13 -5.986 -12.636 1.576 1.00 0.00 C ATOM 204 O SER A 13 -5.646 -12.721 0.392 1.00 0.00 O ATOM 205 CB SER A 13 -6.380 -14.648 3.051 1.00 0.00 C ATOM 206 OG SER A 13 -5.733 -15.647 2.279 1.00 0.00 O ATOM 0 H SER A 13 -7.246 -14.350 0.212 1.00 0.00 H new ATOM 0 HA SER A 13 -7.717 -12.998 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.658 -14.173 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.140 -15.108 3.683 1.00 0.00 H new ATOM 0 HG SER A 13 -6.406 -16.216 1.850 1.00 0.00 H new ATOM 212 N ALA A 14 -5.491 -11.725 2.406 1.00 0.00 N ATOM 213 CA ALA A 14 -4.533 -10.722 1.956 1.00 0.00 C ATOM 214 C ALA A 14 -3.526 -10.390 3.051 1.00 0.00 C ATOM 215 O ALA A 14 -3.894 -10.235 4.219 1.00 0.00 O ATOM 216 CB ALA A 14 -5.266 -9.460 1.512 1.00 0.00 C ATOM 0 H ALA A 14 -5.737 -11.660 3.394 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.984 -11.133 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.542 -8.717 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.943 -9.702 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.838 -9.058 2.348 1.00 0.00 H new ATOM 222 N TYR A 15 -2.256 -10.302 2.663 1.00 0.00 N ATOM 223 CA TYR A 15 -1.192 -9.870 3.561 1.00 0.00 C ATOM 224 C TYR A 15 -0.785 -8.441 3.205 1.00 0.00 C ATOM 225 O TYR A 15 -0.085 -8.209 2.216 1.00 0.00 O ATOM 226 CB TYR A 15 0.016 -10.817 3.456 1.00 0.00 C ATOM 227 CG TYR A 15 1.159 -10.483 4.406 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.163 -10.958 5.714 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.236 -9.701 3.992 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.199 -10.661 6.581 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.275 -9.402 4.854 1.00 0.00 C ATOM 232 CZ TYR A 15 3.252 -9.886 6.146 1.00 0.00 C ATOM 233 OH TYR A 15 4.288 -9.588 7.008 1.00 0.00 O ATOM 0 H TYR A 15 -1.938 -10.528 1.720 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.553 -9.896 4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.318 -11.836 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.391 -10.796 2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.342 -11.570 6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.259 -9.322 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.183 -11.035 7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.101 -8.792 4.518 1.00 0.00 H new ATOM 0 HH TYR A 15 4.413 -8.617 7.045 1.00 0.00 H new ATOM 243 N VAL A 16 -1.247 -7.486 4.001 1.00 0.00 N ATOM 244 CA VAL A 16 -0.936 -6.079 3.791 1.00 0.00 C ATOM 245 C VAL A 16 0.405 -5.744 4.433 1.00 0.00 C ATOM 246 O VAL A 16 0.469 -5.461 5.628 1.00 0.00 O ATOM 247 CB VAL A 16 -2.037 -5.159 4.383 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.740 -3.687 4.089 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.416 -5.554 3.857 1.00 0.00 C ATOM 0 H VAL A 16 -1.846 -7.664 4.807 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.887 -5.905 2.716 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.038 -5.290 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.527 -3.065 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.782 -3.414 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.699 -3.532 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.171 -4.895 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.431 -5.464 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.631 -6.585 4.139 1.00 0.00 H new ATOM 259 N ALA A 17 1.472 -5.788 3.634 1.00 0.00 N ATOM 260 CA ALA A 17 2.830 -5.568 4.133 1.00 0.00 C ATOM 261 C ALA A 17 2.973 -4.193 4.785 1.00 0.00 C ATOM 262 O ALA A 17 3.813 -4.000 5.662 1.00 0.00 O ATOM 263 CB ALA A 17 3.840 -5.736 3.005 1.00 0.00 C ATOM 0 H ALA A 17 1.421 -5.975 2.633 1.00 0.00 H new ATOM 0 HA ALA A 17 3.031 -6.316 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.846 -5.570 3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.769 -6.745 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.629 -5.013 2.217 1.00 0.00 H new ATOM 269 N LYS A 18 2.138 -3.248 4.355 1.00 0.00 N ATOM 270 CA LYS A 18 2.099 -1.908 4.949 1.00 0.00 C ATOM 271 C LYS A 18 1.922 -1.989 6.468 1.00 0.00 C ATOM 272 O LYS A 18 2.534 -1.229 7.219 1.00 0.00 O ATOM 273 CB LYS A 18 0.949 -1.098 4.326 1.00 0.00 C ATOM 274 CG LYS A 18 0.697 0.258 4.985 1.00 0.00 C ATOM 275 CD LYS A 18 1.895 1.198 4.861 1.00 0.00 C ATOM 276 CE LYS A 18 1.634 2.528 5.560 1.00 0.00 C ATOM 277 NZ LYS A 18 2.780 3.466 5.425 1.00 0.00 N ATOM 0 H LYS A 18 1.475 -3.385 3.593 1.00 0.00 H new ATOM 0 HA LYS A 18 3.046 -1.409 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.164 -0.939 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.035 -1.689 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.176 0.724 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.463 0.109 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.777 0.725 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.113 1.375 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.739 2.988 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.436 2.349 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.559 4.357 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.629 3.040 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.954 3.659 4.418 1.00 0.00 H new ATOM 291 N LYS A 19 1.087 -2.924 6.903 1.00 0.00 N ATOM 292 CA LYS A 19 0.778 -3.105 8.322 1.00 0.00 C ATOM 293 C LYS A 19 1.276 -4.485 8.771 1.00 0.00 C ATOM 294 O LYS A 19 1.267 -4.813 9.957 1.00 0.00 O ATOM 295 CB LYS A 19 -0.753 -2.969 8.517 1.00 0.00 C ATOM 296 CG LYS A 19 -1.215 -2.487 9.900 1.00 0.00 C ATOM 297 CD LYS A 19 -1.057 -3.544 10.989 1.00 0.00 C ATOM 298 CE LYS A 19 -1.656 -3.092 12.316 1.00 0.00 C ATOM 299 NZ LYS A 19 -3.137 -2.966 12.247 1.00 0.00 N ATOM 0 H LYS A 19 0.604 -3.578 6.287 1.00 0.00 H new ATOM 0 HA LYS A 19 1.276 -2.348 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.135 -2.277 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.212 -3.938 8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.645 -1.601 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.262 -2.188 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.539 -4.468 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.001 -3.767 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.389 -3.806 13.096 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.224 -2.133 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.415 -1.995 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.459 -3.184 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.574 -3.631 12.917 1.00 0.00 H new ATOM 313 N ASP A 20 1.739 -5.275 7.799 1.00 0.00 N ATOM 314 CA ASP A 20 2.072 -6.688 8.012 1.00 0.00 C ATOM 315 C ASP A 20 0.833 -7.440 8.488 1.00 0.00 C ATOM 316 O ASP A 20 0.925 -8.486 9.137 1.00 0.00 O ATOM 317 CB ASP A 20 3.235 -6.848 9.004 1.00 0.00 C ATOM 318 CG ASP A 20 4.542 -6.298 8.455 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.204 -7.001 7.658 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.921 -5.163 8.817 1.00 0.00 O ATOM 0 H ASP A 20 1.894 -4.955 6.843 1.00 0.00 H new ATOM 0 HA ASP A 20 2.401 -7.115 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.990 -6.335 9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.361 -7.903 9.246 1.00 0.00 H new ATOM 325 N LEU A 21 -0.327 -6.907 8.116 1.00 0.00 N ATOM 326 CA LEU A 21 -1.613 -7.441 8.542 1.00 0.00 C ATOM 327 C LEU A 21 -2.025 -8.585 7.620 1.00 0.00 C ATOM 328 O LEU A 21 -2.067 -8.420 6.404 1.00 0.00 O ATOM 329 CB LEU A 21 -2.670 -6.314 8.518 1.00 0.00 C ATOM 330 CG LEU A 21 -3.973 -6.560 9.314 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.813 -5.286 9.357 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.797 -7.701 8.724 1.00 0.00 C ATOM 0 H LEU A 21 -0.400 -6.091 7.509 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.534 -7.827 9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.205 -5.405 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.938 -6.122 7.479 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.686 -6.845 10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.728 -5.472 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.245 -4.492 9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.068 -4.984 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.703 -7.839 9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.067 -7.461 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.210 -8.620 8.740 1.00 0.00 H new ATOM 344 N GLU A 22 -2.320 -9.735 8.205 1.00 0.00 N ATOM 345 CA GLU A 22 -2.815 -10.884 7.451 1.00 0.00 C ATOM 346 C GLU A 22 -4.230 -11.218 7.907 1.00 0.00 C ATOM 347 O GLU A 22 -4.457 -11.494 9.090 1.00 0.00 O ATOM 348 CB GLU A 22 -1.889 -12.090 7.646 1.00 0.00 C ATOM 349 CG GLU A 22 -2.347 -13.346 6.913 1.00 0.00 C ATOM 350 CD GLU A 22 -1.368 -14.498 7.061 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.148 -14.955 8.203 1.00 0.00 O ATOM 352 OE2 GLU A 22 -0.816 -14.955 6.040 1.00 0.00 O ATOM 0 H GLU A 22 -2.225 -9.901 9.207 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.831 -10.637 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.888 -11.826 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.814 -12.310 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.321 -13.651 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.477 -13.118 5.855 1.00 0.00 H new ATOM 359 N GLU A 23 -5.184 -11.175 6.983 1.00 0.00 N ATOM 360 CA GLU A 23 -6.582 -11.407 7.326 1.00 0.00 C ATOM 361 C GLU A 23 -7.328 -12.073 6.176 1.00 0.00 C ATOM 362 O GLU A 23 -6.877 -12.048 5.026 1.00 0.00 O ATOM 363 CB GLU A 23 -7.269 -10.081 7.678 1.00 0.00 C ATOM 364 CG GLU A 23 -8.580 -10.244 8.435 1.00 0.00 C ATOM 365 CD GLU A 23 -8.435 -11.062 9.707 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.073 -10.485 10.753 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.696 -12.283 9.667 1.00 0.00 O ATOM 0 H GLU A 23 -5.016 -10.983 5.996 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.606 -12.072 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.587 -9.479 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.459 -9.527 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.973 -9.259 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.312 -10.722 7.784 1.00 0.00 H new ATOM 374 N LEU A 24 -8.475 -12.658 6.501 1.00 0.00 N ATOM 375 CA LEU A 24 -9.369 -13.230 5.504 1.00 0.00 C ATOM 376 C LEU A 24 -10.229 -12.128 4.892 1.00 0.00 C ATOM 377 O LEU A 24 -10.711 -11.241 5.602 1.00 0.00 O ATOM 378 CB LEU A 24 -10.264 -14.302 6.145 1.00 0.00 C ATOM 379 CG LEU A 24 -9.523 -15.506 6.752 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.506 -16.471 7.411 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.698 -16.223 5.685 1.00 0.00 C ATOM 0 H LEU A 24 -8.810 -12.749 7.460 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.773 -13.697 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.860 -13.832 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.960 -14.668 5.390 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.844 -15.136 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.960 -17.315 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.046 -15.955 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.214 -16.834 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.181 -17.071 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.357 -16.577 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.966 -15.533 5.266 1.00 0.00 H new ATOM 393 N ILE A 25 -10.406 -12.179 3.580 1.00 0.00 N ATOM 394 CA ILE A 25 -11.248 -11.222 2.874 1.00 0.00 C ATOM 395 C ILE A 25 -12.706 -11.660 2.961 1.00 0.00 C ATOM 396 O ILE A 25 -13.111 -12.628 2.315 1.00 0.00 O ATOM 397 CB ILE A 25 -10.830 -11.085 1.386 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.361 -10.647 1.277 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.742 -10.098 0.661 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.853 -10.535 -0.147 1.00 0.00 C ATOM 0 H ILE A 25 -9.974 -12.879 2.977 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.124 -10.249 3.349 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.933 -12.059 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.243 -9.682 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.739 -11.360 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.433 -10.015 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.772 -10.453 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.673 -9.121 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.809 -10.221 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.936 -11.503 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.448 -9.800 -0.689 1.00 0.00 H new ATOM 412 N VAL A 26 -13.483 -10.959 3.779 1.00 0.00 N ATOM 413 CA VAL A 26 -14.886 -11.304 3.990 1.00 0.00 C ATOM 414 C VAL A 26 -15.769 -10.749 2.877 1.00 0.00 C ATOM 415 O VAL A 26 -16.757 -11.377 2.486 1.00 0.00 O ATOM 416 CB VAL A 26 -15.400 -10.796 5.362 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.753 -11.578 6.504 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.144 -9.298 5.523 1.00 0.00 C ATOM 0 H VAL A 26 -13.165 -10.147 4.308 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.945 -12.392 3.978 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.477 -10.960 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.127 -11.206 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.998 -12.635 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.671 -11.451 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.514 -8.968 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.074 -9.103 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.661 -8.753 4.733 1.00 0.00 H new ATOM 428 N GLU A 27 -15.406 -9.577 2.364 1.00 0.00 N ATOM 429 CA GLU A 27 -16.190 -8.914 1.327 1.00 0.00 C ATOM 430 C GLU A 27 -15.282 -8.435 0.202 1.00 0.00 C ATOM 431 O GLU A 27 -14.175 -7.953 0.451 1.00 0.00 O ATOM 432 CB GLU A 27 -16.961 -7.726 1.917 1.00 0.00 C ATOM 433 CG GLU A 27 -17.893 -8.102 3.062 1.00 0.00 C ATOM 434 CD GLU A 27 -18.728 -6.930 3.541 1.00 0.00 C ATOM 435 OE1 GLU A 27 -18.146 -5.926 4.006 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.971 -7.002 3.448 1.00 0.00 O ATOM 0 H GLU A 27 -14.571 -9.066 2.651 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.904 -9.632 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.247 -6.982 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.545 -7.255 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.554 -8.907 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.304 -8.488 3.894 1.00 0.00 H new ATOM 443 N MET A 28 -15.750 -8.582 -1.031 1.00 0.00 N ATOM 444 CA MET A 28 -15.006 -8.146 -2.207 1.00 0.00 C ATOM 445 C MET A 28 -15.877 -7.221 -3.055 1.00 0.00 C ATOM 446 O MET A 28 -17.102 -7.223 -2.921 1.00 0.00 O ATOM 447 CB MET A 28 -14.572 -9.356 -3.051 1.00 0.00 C ATOM 448 CG MET A 28 -13.793 -10.419 -2.282 1.00 0.00 C ATOM 449 SD MET A 28 -14.805 -11.315 -1.083 1.00 0.00 S ATOM 450 CE MET A 28 -16.059 -12.026 -2.148 1.00 0.00 C ATOM 0 H MET A 28 -16.653 -9.005 -1.244 1.00 0.00 H new ATOM 0 HA MET A 28 -14.116 -7.611 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.459 -9.817 -3.485 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.959 -9.003 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.365 -11.129 -2.989 1.00 0.00 H new ATOM 0 HG3 MET A 28 -12.960 -9.945 -1.763 1.00 0.00 H new ATOM 0 HE1 MET A 28 -16.304 -13.030 -1.802 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.954 -11.405 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.683 -12.076 -3.170 1.00 0.00 H new ATOM 460 N GLU A 29 -15.247 -6.426 -3.914 1.00 0.00 N ATOM 461 CA GLU A 29 -15.981 -5.581 -4.853 1.00 0.00 C ATOM 462 C GLU A 29 -16.757 -6.455 -5.833 1.00 0.00 C ATOM 463 O GLU A 29 -17.912 -6.182 -6.154 1.00 0.00 O ATOM 464 CB GLU A 29 -15.017 -4.663 -5.612 1.00 0.00 C ATOM 465 CG GLU A 29 -15.701 -3.690 -6.570 1.00 0.00 C ATOM 466 CD GLU A 29 -16.635 -2.722 -5.860 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.141 -1.857 -5.107 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.870 -2.814 -6.057 1.00 0.00 O ATOM 0 H GLU A 29 -14.232 -6.348 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.682 -4.959 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.432 -4.093 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.316 -5.278 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.941 -3.125 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.266 -4.254 -7.312 1.00 0.00 H new ATOM 475 N ASN A 30 -16.109 -7.519 -6.287 1.00 0.00 N ATOM 476 CA ASN A 30 -16.727 -8.482 -7.195 1.00 0.00 C ATOM 477 C ASN A 30 -16.764 -9.857 -6.533 1.00 0.00 C ATOM 478 O ASN A 30 -15.926 -10.149 -5.681 1.00 0.00 O ATOM 479 CB ASN A 30 -15.956 -8.542 -8.524 1.00 0.00 C ATOM 480 CG ASN A 30 -16.022 -7.239 -9.308 1.00 0.00 C ATOM 481 OD1 ASN A 30 -16.984 -6.479 -9.197 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.003 -6.975 -10.110 1.00 0.00 N ATOM 0 H ASN A 30 -15.145 -7.740 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.747 -8.164 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.913 -8.786 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.359 -9.349 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.998 -6.118 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.223 -7.629 -10.176 1.00 0.00 H new ATOM 489 N PRO A 31 -17.741 -10.714 -6.898 1.00 0.00 N ATOM 490 CA PRO A 31 -17.915 -12.045 -6.289 1.00 0.00 C ATOM 491 C PRO A 31 -16.617 -12.862 -6.240 1.00 0.00 C ATOM 492 O PRO A 31 -16.405 -13.648 -5.312 1.00 0.00 O ATOM 493 CB PRO A 31 -18.966 -12.733 -7.188 1.00 0.00 C ATOM 494 CG PRO A 31 -19.126 -11.843 -8.380 1.00 0.00 C ATOM 495 CD PRO A 31 -18.767 -10.458 -7.920 1.00 0.00 C ATOM 0 HA PRO A 31 -18.222 -11.964 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.636 -13.729 -7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.912 -12.855 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.477 -12.163 -9.195 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.149 -11.876 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.382 -9.847 -8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.628 -9.932 -7.507 1.00 0.00 H new ATOM 503 N ALA A 32 -15.755 -12.678 -7.239 1.00 0.00 N ATOM 504 CA ALA A 32 -14.470 -13.374 -7.283 1.00 0.00 C ATOM 505 C ALA A 32 -13.502 -12.789 -6.255 1.00 0.00 C ATOM 506 O ALA A 32 -13.170 -13.445 -5.262 1.00 0.00 O ATOM 507 CB ALA A 32 -13.864 -13.311 -8.682 1.00 0.00 C ATOM 0 H ALA A 32 -15.923 -12.054 -8.028 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.646 -14.420 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.909 -13.836 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.542 -13.782 -9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.708 -12.270 -8.964 1.00 0.00 H new ATOM 513 N LEU A 33 -13.063 -11.549 -6.492 1.00 0.00 N ATOM 514 CA LEU A 33 -12.115 -10.879 -5.603 1.00 0.00 C ATOM 515 C LEU A 33 -11.828 -9.459 -6.107 1.00 0.00 C ATOM 516 O LEU A 33 -12.280 -8.473 -5.519 1.00 0.00 O ATOM 517 CB LEU A 33 -10.803 -11.695 -5.508 1.00 0.00 C ATOM 518 CG LEU A 33 -9.937 -11.474 -4.245 1.00 0.00 C ATOM 519 CD1 LEU A 33 -8.772 -12.460 -4.221 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.417 -10.037 -4.156 1.00 0.00 C ATOM 0 H LEU A 33 -13.351 -10.990 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.554 -10.811 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.056 -12.754 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.195 -11.464 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.572 -11.649 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.172 -12.292 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.158 -13.479 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.153 -12.313 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.814 -9.924 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.807 -9.816 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.260 -9.347 -4.118 1.00 0.00 H new ATOM 532 N TRP A 34 -11.088 -9.374 -7.211 1.00 0.00 N ATOM 533 CA TRP A 34 -10.604 -8.092 -7.735 1.00 0.00 C ATOM 534 C TRP A 34 -11.717 -7.329 -8.445 1.00 0.00 C ATOM 535 O TRP A 34 -12.683 -7.924 -8.925 1.00 0.00 O ATOM 536 CB TRP A 34 -9.433 -8.324 -8.702 1.00 0.00 C ATOM 537 CG TRP A 34 -8.290 -9.084 -8.088 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.286 -10.397 -7.714 1.00 0.00 C ATOM 539 CD2 TRP A 34 -6.984 -8.581 -7.790 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.064 -10.737 -7.194 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.246 -9.641 -7.232 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.367 -7.338 -7.942 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -4.926 -9.494 -6.823 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.055 -7.193 -7.535 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.347 -8.266 -6.983 1.00 0.00 C ATOM 0 H TRP A 34 -10.807 -10.183 -7.766 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.264 -7.492 -6.891 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.795 -8.869 -9.574 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.069 -7.360 -9.057 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.124 -11.070 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.807 -11.657 -6.837 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.905 -6.505 -8.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.378 -10.320 -6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.568 -6.235 -7.645 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.321 -8.121 -6.677 1.00 0.00 H new ATOM 556 N GLY A 35 -11.562 -6.009 -8.510 1.00 0.00 N ATOM 557 CA GLY A 35 -12.541 -5.162 -9.167 1.00 0.00 C ATOM 558 C GLY A 35 -12.395 -3.712 -8.759 1.00 0.00 C ATOM 559 O GLY A 35 -12.460 -2.810 -9.595 1.00 0.00 O ATOM 0 H GLY A 35 -10.767 -5.508 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.429 -5.248 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.545 -5.509 -8.922 1.00 0.00 H new ATOM 563 N GLY A 36 -12.180 -3.496 -7.467 1.00 0.00 N ATOM 564 CA GLY A 36 -12.028 -2.152 -6.938 1.00 0.00 C ATOM 565 C GLY A 36 -11.439 -2.166 -5.543 1.00 0.00 C ATOM 566 O GLY A 36 -10.323 -1.699 -5.327 1.00 0.00 O ATOM 0 H GLY A 36 -12.107 -4.236 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.385 -1.571 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.998 -1.656 -6.919 1.00 0.00 H new ATOM 570 N LYS A 37 -12.187 -2.715 -4.593 1.00 0.00 N ATOM 571 CA LYS A 37 -11.726 -2.831 -3.212 1.00 0.00 C ATOM 572 C LYS A 37 -12.232 -4.120 -2.567 1.00 0.00 C ATOM 573 O LYS A 37 -13.098 -4.803 -3.117 1.00 0.00 O ATOM 574 CB LYS A 37 -12.162 -1.596 -2.398 1.00 0.00 C ATOM 575 CG LYS A 37 -13.649 -1.229 -2.517 1.00 0.00 C ATOM 576 CD LYS A 37 -14.568 -2.150 -1.710 1.00 0.00 C ATOM 577 CE LYS A 37 -14.273 -2.091 -0.212 1.00 0.00 C ATOM 578 NZ LYS A 37 -15.225 -2.919 0.574 1.00 0.00 N ATOM 0 H LYS A 37 -13.122 -3.090 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.637 -2.874 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.930 -1.772 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.566 -0.741 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.790 -0.202 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.942 -1.264 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.606 -1.869 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.452 -3.175 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.255 -2.436 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.325 -1.057 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.699 -3.486 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.897 -2.299 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.746 -3.552 -0.067 1.00 0.00 H new ATOM 592 N VAL A 38 -11.672 -4.445 -1.406 1.00 0.00 N ATOM 593 CA VAL A 38 -12.115 -5.579 -0.597 1.00 0.00 C ATOM 594 C VAL A 38 -12.109 -5.182 0.875 1.00 0.00 C ATOM 595 O VAL A 38 -11.624 -4.102 1.231 1.00 0.00 O ATOM 596 CB VAL A 38 -11.219 -6.834 -0.782 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.217 -7.308 -2.235 1.00 0.00 C ATOM 598 CG2 VAL A 38 -9.797 -6.568 -0.284 1.00 0.00 C ATOM 0 H VAL A 38 -10.894 -3.928 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.120 -5.838 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.642 -7.636 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.580 -8.188 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.233 -7.561 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.836 -6.513 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.189 -7.462 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.363 -5.742 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.824 -6.311 0.775 1.00 0.00 H new ATOM 608 N THR A 39 -12.634 -6.054 1.723 1.00 0.00 N ATOM 609 CA THR A 39 -12.695 -5.804 3.154 1.00 0.00 C ATOM 610 C THR A 39 -12.204 -7.031 3.930 1.00 0.00 C ATOM 611 O THR A 39 -12.727 -8.137 3.758 1.00 0.00 O ATOM 612 CB THR A 39 -14.139 -5.453 3.590 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.655 -4.393 2.769 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.185 -5.030 5.057 1.00 0.00 C ATOM 0 H THR A 39 -13.028 -6.951 1.439 1.00 0.00 H new ATOM 0 HA THR A 39 -12.047 -4.956 3.377 1.00 0.00 H new ATOM 0 HB THR A 39 -14.754 -6.345 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.586 -3.543 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.211 -4.790 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.822 -5.845 5.682 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.555 -4.153 5.203 1.00 0.00 H new ATOM 622 N LEU A 40 -11.179 -6.832 4.756 1.00 0.00 N ATOM 623 CA LEU A 40 -10.651 -7.892 5.613 1.00 0.00 C ATOM 624 C LEU A 40 -11.553 -8.083 6.830 1.00 0.00 C ATOM 625 O LEU A 40 -12.251 -7.155 7.241 1.00 0.00 O ATOM 626 CB LEU A 40 -9.225 -7.554 6.084 1.00 0.00 C ATOM 627 CG LEU A 40 -8.162 -7.434 4.979 1.00 0.00 C ATOM 628 CD1 LEU A 40 -6.787 -7.123 5.568 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.115 -8.699 4.122 1.00 0.00 C ATOM 0 H LEU A 40 -10.694 -5.939 4.850 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.622 -8.814 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.258 -6.613 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.904 -8.322 6.788 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.446 -6.602 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.056 -7.044 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.830 -6.180 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.493 -7.923 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.355 -8.587 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.870 -9.555 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.087 -8.858 3.655 1.00 0.00 H new ATOM 641 N ALA A 41 -11.510 -9.275 7.420 1.00 0.00 N ATOM 642 CA ALA A 41 -12.293 -9.580 8.620 1.00 0.00 C ATOM 643 C ALA A 41 -11.833 -8.736 9.815 1.00 0.00 C ATOM 644 O ALA A 41 -12.470 -8.726 10.866 1.00 0.00 O ATOM 645 CB ALA A 41 -12.192 -11.066 8.948 1.00 0.00 C ATOM 0 H ALA A 41 -10.939 -10.051 7.086 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.335 -9.330 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.778 -11.282 9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.577 -11.650 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.149 -11.329 9.125 1.00 0.00 H new ATOM 651 N ASN A 42 -10.716 -8.035 9.640 1.00 0.00 N ATOM 652 CA ASN A 42 -10.161 -7.168 10.679 1.00 0.00 C ATOM 653 C ASN A 42 -10.794 -5.777 10.602 1.00 0.00 C ATOM 654 O ASN A 42 -10.679 -4.973 11.530 1.00 0.00 O ATOM 655 CB ASN A 42 -8.633 -7.073 10.515 1.00 0.00 C ATOM 656 CG ASN A 42 -7.961 -6.226 11.587 1.00 0.00 C ATOM 657 OD1 ASN A 42 -7.772 -5.020 11.416 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.593 -6.850 12.696 1.00 0.00 N ATOM 0 H ASN A 42 -10.171 -8.051 8.778 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.386 -7.594 11.657 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.210 -8.077 10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.406 -6.653 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.136 -6.331 13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.767 -7.850 12.800 1.00 0.00 H new ATOM 665 N GLY A 43 -11.489 -5.514 9.496 1.00 0.00 N ATOM 666 CA GLY A 43 -12.071 -4.201 9.258 1.00 0.00 C ATOM 667 C GLY A 43 -11.194 -3.351 8.356 1.00 0.00 C ATOM 668 O GLY A 43 -11.538 -2.212 8.030 1.00 0.00 O ATOM 0 H GLY A 43 -11.660 -6.193 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.055 -4.316 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.217 -3.690 10.210 1.00 0.00 H new ATOM 672 N TRP A 44 -10.055 -3.910 7.960 1.00 0.00 N ATOM 673 CA TRP A 44 -9.119 -3.229 7.073 1.00 0.00 C ATOM 674 C TRP A 44 -9.593 -3.342 5.624 1.00 0.00 C ATOM 675 O TRP A 44 -9.761 -4.444 5.100 1.00 0.00 O ATOM 676 CB TRP A 44 -7.713 -3.835 7.227 1.00 0.00 C ATOM 677 CG TRP A 44 -6.645 -3.134 6.428 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.450 -3.196 5.076 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.611 -2.283 6.939 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.374 -2.421 4.718 1.00 0.00 N ATOM 681 CE2 TRP A 44 -4.840 -1.855 5.842 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.269 -1.832 8.219 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -3.749 -1.004 5.984 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.183 -0.990 8.358 1.00 0.00 C ATOM 685 CH2 TRP A 44 -3.435 -0.582 7.246 1.00 0.00 C ATOM 0 H TRP A 44 -9.756 -4.843 8.243 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.076 -2.174 7.343 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.435 -3.814 8.281 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.747 -4.882 6.927 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.054 -3.771 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.029 -2.289 3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.843 -2.137 9.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.171 -0.688 5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.906 -0.640 9.341 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.593 0.079 7.388 1.00 0.00 H new ATOM 696 N GLN A 45 -9.816 -2.201 4.988 1.00 0.00 N ATOM 697 CA GLN A 45 -10.242 -2.157 3.591 1.00 0.00 C ATOM 698 C GLN A 45 -9.028 -1.985 2.683 1.00 0.00 C ATOM 699 O GLN A 45 -8.194 -1.112 2.921 1.00 0.00 O ATOM 700 CB GLN A 45 -11.227 -1.004 3.374 1.00 0.00 C ATOM 701 CG GLN A 45 -12.500 -1.116 4.205 1.00 0.00 C ATOM 702 CD GLN A 45 -13.414 0.085 4.033 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.271 0.107 3.151 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.237 1.091 4.876 1.00 0.00 N ATOM 0 H GLN A 45 -9.708 -1.283 5.420 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.741 -3.094 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.730 -0.064 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.496 -0.962 2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.037 -2.021 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.235 -1.219 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.515 1.034 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.823 1.923 4.807 1.00 0.00 H new ATOM 713 N LEU A 46 -8.934 -2.813 1.648 1.00 0.00 N ATOM 714 CA LEU A 46 -7.789 -2.791 0.736 1.00 0.00 C ATOM 715 C LEU A 46 -8.279 -2.553 -0.696 1.00 0.00 C ATOM 716 O LEU A 46 -9.234 -3.191 -1.142 1.00 0.00 O ATOM 717 CB LEU A 46 -7.012 -4.123 0.844 1.00 0.00 C ATOM 718 CG LEU A 46 -5.522 -4.096 0.424 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.352 -3.837 -1.071 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.750 -3.059 1.240 1.00 0.00 C ATOM 0 H LEU A 46 -9.640 -3.512 1.416 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.115 -1.979 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.068 -4.467 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.524 -4.866 0.233 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.110 -5.084 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.291 -3.827 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.850 -4.625 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.794 -2.874 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.705 -3.056 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.181 -2.072 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.813 -3.309 2.299 1.00 0.00 H new ATOM 732 N GLU A 47 -7.636 -1.624 -1.400 1.00 0.00 N ATOM 733 CA GLU A 47 -8.017 -1.279 -2.769 1.00 0.00 C ATOM 734 C GLU A 47 -7.255 -2.137 -3.779 1.00 0.00 C ATOM 735 O GLU A 47 -6.022 -2.152 -3.791 1.00 0.00 O ATOM 736 CB GLU A 47 -7.738 0.205 -3.045 1.00 0.00 C ATOM 737 CG GLU A 47 -8.160 0.661 -4.439 1.00 0.00 C ATOM 738 CD GLU A 47 -7.722 2.083 -4.755 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.343 3.031 -4.231 1.00 0.00 O ATOM 740 OE2 GLU A 47 -6.761 2.264 -5.538 1.00 0.00 O ATOM 0 H GLU A 47 -6.842 -1.093 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.084 -1.471 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.260 0.808 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.672 0.395 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.738 -0.017 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.244 0.593 -4.525 1.00 0.00 H new ATOM 747 N LEU A 48 -7.996 -2.852 -4.619 1.00 0.00 N ATOM 748 CA LEU A 48 -7.415 -3.644 -5.699 1.00 0.00 C ATOM 749 C LEU A 48 -7.750 -2.983 -7.035 1.00 0.00 C ATOM 750 O LEU A 48 -8.869 -3.127 -7.531 1.00 0.00 O ATOM 751 CB LEU A 48 -7.943 -5.090 -5.673 1.00 0.00 C ATOM 752 CG LEU A 48 -7.494 -5.948 -4.474 1.00 0.00 C ATOM 753 CD1 LEU A 48 -5.976 -5.932 -4.337 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.156 -5.481 -3.184 1.00 0.00 C ATOM 0 H LEU A 48 -9.014 -2.899 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.334 -3.685 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.032 -5.059 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.628 -5.588 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.811 -6.974 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.681 -6.544 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.525 -6.333 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.635 -4.908 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.820 -6.105 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.884 -4.444 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.239 -5.560 -3.281 1.00 0.00 H new ATOM 766 N PRO A 49 -6.787 -2.239 -7.623 1.00 0.00 N ATOM 767 CA PRO A 49 -7.013 -1.434 -8.839 1.00 0.00 C ATOM 768 C PRO A 49 -7.336 -2.279 -10.081 1.00 0.00 C ATOM 769 O PRO A 49 -6.507 -2.398 -10.986 1.00 0.00 O ATOM 770 CB PRO A 49 -5.685 -0.668 -9.025 1.00 0.00 C ATOM 771 CG PRO A 49 -4.969 -0.796 -7.720 1.00 0.00 C ATOM 772 CD PRO A 49 -5.399 -2.115 -7.147 1.00 0.00 C ATOM 0 HA PRO A 49 -7.882 -0.785 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.097 -1.092 -9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.866 0.378 -9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.889 -0.764 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.227 0.024 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.774 -2.934 -7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.342 -2.121 -6.058 1.00 0.00 H new ATOM 780 N ALA A 50 -8.540 -2.859 -10.089 1.00 0.00 N ATOM 781 CA ALA A 50 -9.083 -3.627 -11.217 1.00 0.00 C ATOM 782 C ALA A 50 -8.027 -4.464 -11.952 1.00 0.00 C ATOM 783 O ALA A 50 -7.398 -4.001 -12.905 1.00 0.00 O ATOM 784 CB ALA A 50 -9.808 -2.698 -12.187 1.00 0.00 C ATOM 0 H ALA A 50 -9.179 -2.807 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.792 -4.340 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.206 -3.279 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.627 -2.198 -11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.110 -1.952 -12.567 1.00 0.00 H new ATOM 790 N MET A 51 -7.832 -5.694 -11.487 1.00 0.00 N ATOM 791 CA MET A 51 -6.950 -6.652 -12.152 1.00 0.00 C ATOM 792 C MET A 51 -7.694 -7.972 -12.342 1.00 0.00 C ATOM 793 O MET A 51 -8.913 -8.023 -12.145 1.00 0.00 O ATOM 794 CB MET A 51 -5.665 -6.869 -11.337 1.00 0.00 C ATOM 795 CG MET A 51 -4.775 -5.635 -11.237 1.00 0.00 C ATOM 796 SD MET A 51 -4.202 -5.060 -12.850 1.00 0.00 S ATOM 797 CE MET A 51 -3.150 -3.690 -12.372 1.00 0.00 C ATOM 0 H MET A 51 -8.277 -6.055 -10.643 1.00 0.00 H new ATOM 0 HA MET A 51 -6.662 -6.256 -13.126 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.935 -7.191 -10.331 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.094 -7.680 -11.789 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.325 -4.834 -10.744 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.913 -5.863 -10.609 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.722 -3.232 -13.264 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.740 -2.950 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.348 -4.054 -11.730 1.00 0.00 H new ATOM 807 N ALA A 52 -6.974 -9.026 -12.727 1.00 0.00 N ATOM 808 CA ALA A 52 -7.579 -10.341 -12.940 1.00 0.00 C ATOM 809 C ALA A 52 -8.367 -10.784 -11.703 1.00 0.00 C ATOM 810 O ALA A 52 -7.779 -11.108 -10.670 1.00 0.00 O ATOM 811 CB ALA A 52 -6.507 -11.369 -13.289 1.00 0.00 C ATOM 0 H ALA A 52 -5.969 -8.994 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.274 -10.267 -13.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.973 -12.342 -13.444 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.993 -11.063 -14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.789 -11.437 -12.472 1.00 0.00 H new ATOM 817 N ALA A 53 -9.699 -10.784 -11.826 1.00 0.00 N ATOM 818 CA ALA A 53 -10.600 -11.093 -10.710 1.00 0.00 C ATOM 819 C ALA A 53 -10.212 -12.393 -10.014 1.00 0.00 C ATOM 820 O ALA A 53 -10.322 -12.510 -8.791 1.00 0.00 O ATOM 821 CB ALA A 53 -12.040 -11.161 -11.200 1.00 0.00 C ATOM 0 H ALA A 53 -10.182 -10.571 -12.699 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.510 -10.290 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.699 -11.391 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.323 -10.201 -11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.130 -11.940 -11.957 1.00 0.00 H new ATOM 827 N ASP A 54 -9.766 -13.363 -10.800 1.00 0.00 N ATOM 828 CA ASP A 54 -9.262 -14.621 -10.267 1.00 0.00 C ATOM 829 C ASP A 54 -7.883 -14.900 -10.860 1.00 0.00 C ATOM 830 O ASP A 54 -7.721 -15.762 -11.725 1.00 0.00 O ATOM 831 CB ASP A 54 -10.240 -15.770 -10.567 1.00 0.00 C ATOM 832 CG ASP A 54 -9.899 -17.047 -9.811 1.00 0.00 C ATOM 833 OD1 ASP A 54 -10.280 -17.165 -8.626 1.00 0.00 O ATOM 834 OD2 ASP A 54 -9.251 -17.943 -10.388 1.00 0.00 O ATOM 0 H ASP A 54 -9.743 -13.301 -11.818 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.172 -14.546 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.251 -15.458 -10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.236 -15.975 -11.638 1.00 0.00 H new ATOM 839 N THR A 55 -6.906 -14.107 -10.425 1.00 0.00 N ATOM 840 CA THR A 55 -5.523 -14.236 -10.879 1.00 0.00 C ATOM 841 C THR A 55 -4.978 -15.645 -10.601 1.00 0.00 C ATOM 842 O THR A 55 -5.245 -16.221 -9.549 1.00 0.00 O ATOM 843 CB THR A 55 -4.615 -13.171 -10.206 1.00 0.00 C ATOM 844 OG1 THR A 55 -3.241 -13.394 -10.549 1.00 0.00 O ATOM 845 CG2 THR A 55 -4.768 -13.182 -8.688 1.00 0.00 C ATOM 0 H THR A 55 -7.051 -13.358 -9.748 1.00 0.00 H new ATOM 0 HA THR A 55 -5.515 -14.069 -11.956 1.00 0.00 H new ATOM 0 HB THR A 55 -4.929 -12.195 -10.577 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.733 -13.611 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.118 -12.424 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.804 -12.967 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.492 -14.163 -8.302 1.00 0.00 H new ATOM 853 N PRO A 56 -4.201 -16.221 -11.542 1.00 0.00 N ATOM 854 CA PRO A 56 -3.677 -17.589 -11.415 1.00 0.00 C ATOM 855 C PRO A 56 -2.507 -17.703 -10.429 1.00 0.00 C ATOM 856 O PRO A 56 -1.907 -18.774 -10.296 1.00 0.00 O ATOM 857 CB PRO A 56 -3.218 -17.914 -12.842 1.00 0.00 C ATOM 858 CG PRO A 56 -2.834 -16.593 -13.417 1.00 0.00 C ATOM 859 CD PRO A 56 -3.779 -15.586 -12.812 1.00 0.00 C ATOM 0 HA PRO A 56 -4.427 -18.273 -11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.376 -18.607 -12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.015 -18.382 -13.419 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.799 -16.349 -13.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.917 -16.602 -14.504 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.287 -14.629 -12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.630 -15.392 -13.465 1.00 0.00 H new ATOM 867 N LEU A 57 -2.181 -16.609 -9.741 1.00 0.00 N ATOM 868 CA LEU A 57 -1.098 -16.619 -8.758 1.00 0.00 C ATOM 869 C LEU A 57 -1.339 -15.573 -7.667 1.00 0.00 C ATOM 870 O LEU A 57 -1.933 -14.524 -7.931 1.00 0.00 O ATOM 871 CB LEU A 57 0.270 -16.370 -9.432 1.00 0.00 C ATOM 872 CG LEU A 57 0.506 -14.954 -10.004 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.971 -14.768 -10.391 1.00 0.00 C ATOM 874 CD2 LEU A 57 -0.397 -14.681 -11.206 1.00 0.00 C ATOM 0 H LEU A 57 -2.649 -15.709 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.083 -17.607 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.053 -16.579 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.388 -17.090 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 57 0.254 -14.236 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.117 -13.765 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.600 -14.902 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.244 -15.504 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.206 -13.677 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.190 -15.409 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.441 -14.762 -10.903 1.00 0.00 H new ATOM 886 N PRO A 58 -0.892 -15.852 -6.422 1.00 0.00 N ATOM 887 CA PRO A 58 -0.938 -14.874 -5.326 1.00 0.00 C ATOM 888 C PRO A 58 -0.005 -13.697 -5.614 1.00 0.00 C ATOM 889 O PRO A 58 1.197 -13.761 -5.355 1.00 0.00 O ATOM 890 CB PRO A 58 -0.460 -15.673 -4.101 1.00 0.00 C ATOM 891 CG PRO A 58 0.338 -16.799 -4.670 1.00 0.00 C ATOM 892 CD PRO A 58 -0.312 -17.139 -5.985 1.00 0.00 C ATOM 0 HA PRO A 58 -1.928 -14.442 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.145 -15.055 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.302 -16.041 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.379 -16.508 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.336 -17.658 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.413 -17.519 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.078 -17.906 -5.869 1.00 0.00 H new ATOM 900 N ILE A 59 -0.557 -12.640 -6.191 1.00 0.00 N ATOM 901 CA ILE A 59 0.242 -11.518 -6.671 1.00 0.00 C ATOM 902 C ILE A 59 0.301 -10.383 -5.644 1.00 0.00 C ATOM 903 O ILE A 59 -0.620 -10.201 -4.841 1.00 0.00 O ATOM 904 CB ILE A 59 -0.317 -10.987 -8.018 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.545 -9.833 -8.560 1.00 0.00 C ATOM 906 CG2 ILE A 59 -1.775 -10.551 -7.864 1.00 0.00 C ATOM 907 CD1 ILE A 59 0.069 -9.284 -9.887 1.00 0.00 C ATOM 0 H ILE A 59 -1.561 -12.534 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 59 1.257 -11.884 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.278 -11.801 -8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.557 -9.026 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.573 -10.180 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.147 -10.182 -8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.377 -11.401 -7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.841 -9.758 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.727 -8.474 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.084 -10.077 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.947 -8.905 -9.780 1.00 0.00 H new ATOM 919 N THR A 60 1.406 -9.640 -5.668 1.00 0.00 N ATOM 920 CA THR A 60 1.587 -8.466 -4.826 1.00 0.00 C ATOM 921 C THR A 60 1.285 -7.194 -5.623 1.00 0.00 C ATOM 922 O THR A 60 1.827 -6.992 -6.713 1.00 0.00 O ATOM 923 CB THR A 60 3.028 -8.399 -4.272 1.00 0.00 C ATOM 924 OG1 THR A 60 3.323 -9.594 -3.531 1.00 0.00 O ATOM 925 CG2 THR A 60 3.225 -7.180 -3.373 1.00 0.00 C ATOM 0 H THR A 60 2.201 -9.838 -6.275 1.00 0.00 H new ATOM 0 HA THR A 60 0.895 -8.543 -3.987 1.00 0.00 H new ATOM 0 HB THR A 60 3.708 -8.311 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.238 -9.546 -3.184 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.249 -7.164 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.032 -6.272 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.534 -7.233 -2.532 1.00 0.00 H new ATOM 933 N VAL A 61 0.415 -6.348 -5.080 1.00 0.00 N ATOM 934 CA VAL A 61 0.005 -5.111 -5.743 1.00 0.00 C ATOM 935 C VAL A 61 0.053 -3.929 -4.776 1.00 0.00 C ATOM 936 O VAL A 61 0.428 -4.080 -3.609 1.00 0.00 O ATOM 937 CB VAL A 61 -1.421 -5.228 -6.345 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.456 -6.256 -7.476 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.439 -5.576 -5.260 1.00 0.00 C ATOM 0 H VAL A 61 -0.025 -6.498 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 61 0.711 -4.939 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.691 -4.259 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.466 -6.318 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.768 -5.953 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.159 -7.231 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.432 -5.653 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.171 -6.528 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.441 -4.795 -4.499 1.00 0.00 H new ATOM 949 N GLU A 62 -0.291 -2.751 -5.290 1.00 0.00 N ATOM 950 CA GLU A 62 -0.336 -1.521 -4.504 1.00 0.00 C ATOM 951 C GLU A 62 -1.253 -1.653 -3.279 1.00 0.00 C ATOM 952 O GLU A 62 -2.476 -1.722 -3.412 1.00 0.00 O ATOM 953 CB GLU A 62 -0.824 -0.366 -5.391 1.00 0.00 C ATOM 954 CG GLU A 62 0.176 0.061 -6.462 1.00 0.00 C ATOM 955 CD GLU A 62 1.284 0.946 -5.909 1.00 0.00 C ATOM 956 OE1 GLU A 62 1.084 2.181 -5.860 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.355 0.416 -5.529 1.00 0.00 O ATOM 0 H GLU A 62 -0.548 -2.622 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 62 0.672 -1.320 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.755 -0.662 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.052 0.492 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.617 -0.826 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.350 0.596 -7.253 1.00 0.00 H new ATOM 964 N ALA A 63 -0.648 -1.701 -2.094 1.00 0.00 N ATOM 965 CA ALA A 63 -1.397 -1.686 -0.839 1.00 0.00 C ATOM 966 C ALA A 63 -1.973 -0.300 -0.577 1.00 0.00 C ATOM 967 O ALA A 63 -1.237 0.643 -0.285 1.00 0.00 O ATOM 968 CB ALA A 63 -0.505 -2.107 0.322 1.00 0.00 C ATOM 0 H ALA A 63 0.364 -1.751 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.219 -2.397 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.080 -2.090 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.131 -3.116 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.335 -1.417 0.404 1.00 0.00 H new ATOM 974 N ARG A 64 -3.289 -0.184 -0.690 1.00 0.00 N ATOM 975 CA ARG A 64 -3.987 1.074 -0.442 1.00 0.00 C ATOM 976 C ARG A 64 -5.186 0.808 0.454 1.00 0.00 C ATOM 977 O ARG A 64 -5.919 -0.155 0.236 1.00 0.00 O ATOM 978 CB ARG A 64 -4.451 1.695 -1.766 1.00 0.00 C ATOM 979 CG ARG A 64 -3.334 1.874 -2.785 1.00 0.00 C ATOM 980 CD ARG A 64 -3.864 2.359 -4.125 1.00 0.00 C ATOM 981 NE ARG A 64 -2.808 2.445 -5.135 1.00 0.00 N ATOM 982 CZ ARG A 64 -3.029 2.443 -6.451 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.269 2.370 -6.924 1.00 0.00 N ATOM 984 NH2 ARG A 64 -2.005 2.512 -7.293 1.00 0.00 N ATOM 0 H ARG A 64 -3.902 -0.955 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.309 1.773 0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.228 1.065 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.904 2.665 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.604 2.588 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.812 0.927 -2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.644 1.681 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.326 3.338 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.843 2.511 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.058 2.315 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.431 2.369 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.052 2.566 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.171 2.511 -8.299 1.00 0.00 H new ATOM 998 N LYS A 65 -5.384 1.643 1.464 1.00 0.00 N ATOM 999 CA LYS A 65 -6.490 1.455 2.395 1.00 0.00 C ATOM 1000 C LYS A 65 -7.564 2.515 2.186 1.00 0.00 C ATOM 1001 O LYS A 65 -7.276 3.636 1.764 1.00 0.00 O ATOM 1002 CB LYS A 65 -6.005 1.493 3.849 1.00 0.00 C ATOM 1003 CG LYS A 65 -7.128 1.247 4.855 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.650 1.319 6.298 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.786 1.020 7.270 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.878 2.028 7.183 1.00 0.00 N ATOM 0 H LYS A 65 -4.797 2.454 1.660 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.918 0.473 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.228 0.741 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.550 2.463 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.916 1.984 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.567 0.267 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.839 0.607 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.246 2.311 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.190 0.030 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.395 0.996 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.571 1.855 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.479 2.982 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.348 1.952 6.259 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.800 2.144 2.485 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.927 3.065 2.444 1.00 0.00 C ATOM 1022 C LEU A 66 -10.244 3.554 3.859 1.00 0.00 C ATOM 1023 O LEU A 66 -10.343 2.706 4.775 1.00 0.00 O ATOM 1024 CB LEU A 66 -11.154 2.381 1.826 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.961 1.844 0.395 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -12.238 1.177 -0.105 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.526 2.961 -0.553 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.393 4.779 4.051 1.00 0.00 O ATOM 0 H LEU A 66 -9.051 1.195 2.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.664 3.921 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.450 1.553 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.981 3.091 1.821 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.170 1.095 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.081 0.804 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.496 0.346 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.051 1.903 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.396 2.556 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.288 3.740 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.583 3.384 -0.208 1.00 0.00 H new