USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.395 (180deg=-1.8!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 110:sc= -0.695 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0233) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0572 X(o=-0.057,f=-0.5) USER MOD Single : A 30 ASN : amide:sc= -0.501 K(o=-0.5,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -71:sc= 0.661 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.753 (180deg=-2.1) USER MOD Single : A 48 MET CE :methyl 141:sc= -0.989 (180deg=-2.64) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00516 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -156:sc= -0.812 (180deg=-2.63!) USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 175:sc= 0 (180deg=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.953 23.658 -9.391 1.00 0.00 N ATOM 2 CA MET A 1 -3.638 23.015 -9.113 1.00 0.00 C ATOM 3 C MET A 1 -3.482 22.801 -7.606 1.00 0.00 C ATOM 4 O MET A 1 -2.791 21.905 -7.165 1.00 0.00 O ATOM 5 CB MET A 1 -2.513 23.919 -9.618 1.00 0.00 C ATOM 6 CG MET A 1 -2.671 24.145 -11.122 1.00 0.00 C ATOM 7 SD MET A 1 -2.060 25.793 -11.553 1.00 0.00 S ATOM 8 CE MET A 1 -2.855 25.913 -13.174 1.00 0.00 C ATOM 0 H1 MET A 1 -5.301 23.348 -10.321 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.636 23.383 -8.656 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.841 24.692 -9.390 1.00 0.00 H new ATOM 0 HA MET A 1 -3.589 22.053 -9.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.537 24.874 -9.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.545 23.463 -9.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.119 23.385 -11.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.719 24.048 -11.407 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.608 26.872 -13.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.501 25.105 -13.814 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.936 25.835 -13.056 1.00 0.00 H new ATOM 20 N THR A 2 -4.120 23.618 -6.812 1.00 0.00 N ATOM 21 CA THR A 2 -4.007 23.461 -5.335 1.00 0.00 C ATOM 22 C THR A 2 -5.383 23.146 -4.746 1.00 0.00 C ATOM 23 O THR A 2 -5.869 23.839 -3.874 1.00 0.00 O ATOM 24 CB THR A 2 -3.475 24.759 -4.724 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.467 25.299 -5.567 1.00 0.00 O ATOM 26 CG2 THR A 2 -2.887 24.474 -3.342 1.00 0.00 C ATOM 0 H THR A 2 -4.714 24.387 -7.123 1.00 0.00 H new ATOM 0 HA THR A 2 -3.321 22.644 -5.109 1.00 0.00 H new ATOM 0 HB THR A 2 -4.291 25.475 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.126 26.131 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.509 25.400 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.661 24.061 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.071 23.757 -3.435 1.00 0.00 H new ATOM 34 N PHE A 3 -6.015 22.105 -5.215 1.00 0.00 N ATOM 35 CA PHE A 3 -7.359 21.746 -4.681 1.00 0.00 C ATOM 36 C PHE A 3 -7.280 20.394 -3.969 1.00 0.00 C ATOM 37 O PHE A 3 -6.348 19.636 -4.157 1.00 0.00 O ATOM 38 CB PHE A 3 -8.359 21.656 -5.835 1.00 0.00 C ATOM 39 CG PHE A 3 -8.846 23.039 -6.192 1.00 0.00 C ATOM 40 CD1 PHE A 3 -9.742 23.706 -5.347 1.00 0.00 C ATOM 41 CD2 PHE A 3 -8.404 23.656 -7.369 1.00 0.00 C ATOM 42 CE1 PHE A 3 -10.194 24.989 -5.679 1.00 0.00 C ATOM 43 CE2 PHE A 3 -8.856 24.938 -7.700 1.00 0.00 C ATOM 44 CZ PHE A 3 -9.751 25.604 -6.855 1.00 0.00 C ATOM 0 H PHE A 3 -5.659 21.488 -5.945 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.686 22.510 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.889 21.190 -6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.201 21.025 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.084 23.231 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.714 23.142 -8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.884 25.504 -5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -8.514 25.414 -8.607 1.00 0.00 H new ATOM 0 HZ PHE A 3 -10.100 26.594 -7.111 1.00 0.00 H new ATOM 54 N ILE A 4 -8.254 20.082 -3.157 1.00 0.00 N ATOM 55 CA ILE A 4 -8.234 18.776 -2.438 1.00 0.00 C ATOM 56 C ILE A 4 -8.856 17.699 -3.329 1.00 0.00 C ATOM 57 O ILE A 4 -9.941 17.862 -3.852 1.00 0.00 O ATOM 58 CB ILE A 4 -9.040 18.893 -1.143 1.00 0.00 C ATOM 59 CG1 ILE A 4 -9.032 17.547 -0.415 1.00 0.00 C ATOM 60 CG2 ILE A 4 -10.481 19.286 -1.470 1.00 0.00 C ATOM 61 CD1 ILE A 4 -7.590 17.066 -0.246 1.00 0.00 C ATOM 0 H ILE A 4 -9.061 20.674 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.205 18.506 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.592 19.655 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.510 17.646 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.607 16.813 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.054 19.369 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.488 20.245 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -10.930 18.525 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.585 16.107 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.128 16.951 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.029 17.797 0.336 1.00 0.00 H new ATOM 73 N THR A 5 -8.178 16.598 -3.507 1.00 0.00 N ATOM 74 CA THR A 5 -8.733 15.513 -4.366 1.00 0.00 C ATOM 75 C THR A 5 -9.152 14.329 -3.492 1.00 0.00 C ATOM 76 O THR A 5 -9.522 13.282 -3.985 1.00 0.00 O ATOM 77 CB THR A 5 -7.664 15.057 -5.364 1.00 0.00 C ATOM 78 OG1 THR A 5 -7.093 16.194 -5.996 1.00 0.00 O ATOM 79 CG2 THR A 5 -8.300 14.150 -6.418 1.00 0.00 C ATOM 0 H THR A 5 -7.265 16.403 -3.096 1.00 0.00 H new ATOM 0 HA THR A 5 -9.602 15.888 -4.907 1.00 0.00 H new ATOM 0 HB THR A 5 -6.886 14.505 -4.836 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.408 15.904 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.538 13.827 -7.127 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.737 13.278 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.079 14.698 -6.948 1.00 0.00 H new ATOM 87 N LYS A 6 -9.095 14.483 -2.196 1.00 0.00 N ATOM 88 CA LYS A 6 -9.489 13.364 -1.295 1.00 0.00 C ATOM 89 C LYS A 6 -8.737 12.097 -1.703 1.00 0.00 C ATOM 90 O LYS A 6 -8.009 12.082 -2.676 1.00 0.00 O ATOM 91 CB LYS A 6 -10.996 13.126 -1.405 1.00 0.00 C ATOM 92 CG LYS A 6 -11.566 12.806 -0.021 1.00 0.00 C ATOM 93 CD LYS A 6 -12.922 13.495 0.145 1.00 0.00 C ATOM 94 CE LYS A 6 -13.928 12.508 0.739 1.00 0.00 C ATOM 95 NZ LYS A 6 -15.052 12.308 -0.218 1.00 0.00 N ATOM 0 H LYS A 6 -8.793 15.335 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.239 13.619 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.485 14.009 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.196 12.303 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.677 11.728 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.878 13.143 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.823 14.364 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.278 13.857 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.440 11.556 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.307 12.886 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.736 11.637 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.523 13.218 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.682 11.929 -1.113 1.00 0.00 H new ATOM 109 N THR A 7 -8.900 11.032 -0.968 1.00 0.00 N ATOM 110 CA THR A 7 -8.188 9.773 -1.321 1.00 0.00 C ATOM 111 C THR A 7 -8.705 8.624 -0.450 1.00 0.00 C ATOM 112 O THR A 7 -9.172 8.842 0.651 1.00 0.00 O ATOM 113 CB THR A 7 -6.686 9.953 -1.083 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.483 10.932 -0.074 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.010 10.406 -2.379 1.00 0.00 C ATOM 0 H THR A 7 -9.494 10.979 -0.140 1.00 0.00 H new ATOM 0 HA THR A 7 -8.368 9.540 -2.371 1.00 0.00 H new ATOM 0 HB THR A 7 -6.253 9.005 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.147 10.499 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.941 10.533 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.166 9.654 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.441 11.354 -2.702 1.00 0.00 H new ATOM 123 N PRO A 8 -8.597 7.429 -0.972 1.00 0.00 N ATOM 124 CA PRO A 8 -9.035 6.209 -0.270 1.00 0.00 C ATOM 125 C PRO A 8 -8.004 5.818 0.794 1.00 0.00 C ATOM 126 O PRO A 8 -6.974 6.452 0.912 1.00 0.00 O ATOM 127 CB PRO A 8 -9.115 5.164 -1.390 1.00 0.00 C ATOM 128 CG PRO A 8 -8.208 5.672 -2.534 1.00 0.00 C ATOM 129 CD PRO A 8 -8.023 7.184 -2.313 1.00 0.00 C ATOM 0 HA PRO A 8 -9.982 6.321 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.781 4.189 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.142 5.043 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.247 5.159 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.663 5.475 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.971 7.466 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.538 7.764 -3.079 1.00 0.00 H new ATOM 137 N PRO A 9 -8.308 4.787 1.539 1.00 0.00 N ATOM 138 CA PRO A 9 -7.416 4.295 2.603 1.00 0.00 C ATOM 139 C PRO A 9 -6.198 3.588 1.999 1.00 0.00 C ATOM 140 O PRO A 9 -6.313 2.569 1.348 1.00 0.00 O ATOM 141 CB PRO A 9 -8.298 3.329 3.400 1.00 0.00 C ATOM 142 CG PRO A 9 -9.444 2.905 2.454 1.00 0.00 C ATOM 143 CD PRO A 9 -9.560 4.012 1.390 1.00 0.00 C ATOM 0 HA PRO A 9 -7.010 5.090 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.725 2.462 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.691 3.811 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.229 1.942 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.379 2.794 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.653 3.594 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.438 4.636 1.558 1.00 0.00 H new ATOM 151 N ALA A 10 -5.031 4.136 2.208 1.00 0.00 N ATOM 152 CA ALA A 10 -3.794 3.520 1.648 1.00 0.00 C ATOM 153 C ALA A 10 -3.825 2.004 1.841 1.00 0.00 C ATOM 154 O ALA A 10 -3.196 1.266 1.109 1.00 0.00 O ATOM 155 CB ALA A 10 -2.571 4.095 2.366 1.00 0.00 C ATOM 0 H ALA A 10 -4.881 4.989 2.746 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.738 3.743 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.665 3.646 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.538 5.175 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.637 3.874 3.431 1.00 0.00 H new ATOM 161 N ALA A 11 -4.540 1.528 2.822 1.00 0.00 N ATOM 162 CA ALA A 11 -4.594 0.057 3.057 1.00 0.00 C ATOM 163 C ALA A 11 -5.671 -0.577 2.170 1.00 0.00 C ATOM 164 O ALA A 11 -6.351 -1.498 2.574 1.00 0.00 O ATOM 165 CB ALA A 11 -4.924 -0.210 4.526 1.00 0.00 C ATOM 0 H ALA A 11 -5.089 2.092 3.471 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.626 -0.380 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.964 -1.285 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.154 0.232 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.890 0.233 4.768 1.00 0.00 H new ATOM 171 N VAL A 12 -5.835 -0.094 0.967 1.00 0.00 N ATOM 172 CA VAL A 12 -6.868 -0.675 0.071 1.00 0.00 C ATOM 173 C VAL A 12 -6.294 -0.865 -1.338 1.00 0.00 C ATOM 174 O VAL A 12 -6.640 -1.797 -2.035 1.00 0.00 O ATOM 175 CB VAL A 12 -8.063 0.273 0.005 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.664 1.554 -0.729 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.199 -0.410 -0.747 1.00 0.00 C ATOM 0 H VAL A 12 -5.298 0.677 0.570 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.181 -1.643 0.462 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.387 0.524 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.519 2.229 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.847 2.039 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.342 1.308 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.056 0.261 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.870 -0.657 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.484 -1.323 -0.225 1.00 0.00 H new ATOM 187 N LEU A 13 -5.428 0.014 -1.766 1.00 0.00 N ATOM 188 CA LEU A 13 -4.846 -0.119 -3.133 1.00 0.00 C ATOM 189 C LEU A 13 -3.589 -0.990 -3.081 1.00 0.00 C ATOM 190 O LEU A 13 -3.075 -1.412 -4.097 1.00 0.00 O ATOM 191 CB LEU A 13 -4.483 1.269 -3.667 1.00 0.00 C ATOM 192 CG LEU A 13 -5.740 2.136 -3.730 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.342 3.612 -3.770 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.536 1.790 -4.990 1.00 0.00 C ATOM 0 H LEU A 13 -5.099 0.817 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.578 -0.586 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.739 1.735 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.037 1.184 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.353 1.949 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.239 4.230 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.775 3.860 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.728 3.800 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.433 2.408 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.922 1.977 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.821 0.738 -4.963 1.00 0.00 H new ATOM 206 N LEU A 14 -3.092 -1.268 -1.907 1.00 0.00 N ATOM 207 CA LEU A 14 -1.872 -2.118 -1.803 1.00 0.00 C ATOM 208 C LEU A 14 -2.246 -3.563 -2.127 1.00 0.00 C ATOM 209 O LEU A 14 -1.658 -4.191 -2.984 1.00 0.00 O ATOM 210 CB LEU A 14 -1.298 -2.040 -0.383 1.00 0.00 C ATOM 211 CG LEU A 14 -1.632 -0.681 0.240 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.755 -0.452 1.472 1.00 0.00 C ATOM 213 CD2 LEU A 14 -1.371 0.431 -0.781 1.00 0.00 C ATOM 0 H LEU A 14 -3.476 -0.945 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.119 -1.763 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.710 -2.842 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.218 -2.182 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.682 -0.668 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.994 0.515 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.940 -1.240 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.295 -0.468 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.609 1.397 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.322 0.416 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.996 0.272 -1.660 1.00 0.00 H new ATOM 225 N LYS A 15 -3.231 -4.092 -1.456 1.00 0.00 N ATOM 226 CA LYS A 15 -3.654 -5.491 -1.734 1.00 0.00 C ATOM 227 C LYS A 15 -4.178 -5.576 -3.168 1.00 0.00 C ATOM 228 O LYS A 15 -4.185 -6.626 -3.779 1.00 0.00 O ATOM 229 CB LYS A 15 -4.765 -5.892 -0.761 1.00 0.00 C ATOM 230 CG LYS A 15 -4.160 -6.645 0.426 1.00 0.00 C ATOM 231 CD LYS A 15 -5.146 -7.712 0.905 1.00 0.00 C ATOM 232 CE LYS A 15 -6.230 -7.059 1.765 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.482 -7.862 1.680 1.00 0.00 N ATOM 0 H LYS A 15 -3.761 -3.615 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.806 -6.164 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.293 -5.005 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.497 -6.520 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.218 -7.109 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.936 -5.951 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.599 -8.213 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.621 -8.475 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.897 -6.993 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.415 -6.040 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.219 -7.419 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.802 -7.903 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.300 -8.826 2.025 1.00 0.00 H new ATOM 247 N LYS A 16 -4.619 -4.472 -3.709 1.00 0.00 N ATOM 248 CA LYS A 16 -5.145 -4.480 -5.103 1.00 0.00 C ATOM 249 C LYS A 16 -3.976 -4.458 -6.090 1.00 0.00 C ATOM 250 O LYS A 16 -4.093 -4.905 -7.214 1.00 0.00 O ATOM 251 CB LYS A 16 -6.019 -3.243 -5.321 1.00 0.00 C ATOM 252 CG LYS A 16 -6.907 -3.457 -6.549 1.00 0.00 C ATOM 253 CD LYS A 16 -6.344 -2.664 -7.730 1.00 0.00 C ATOM 254 CE LYS A 16 -7.375 -2.625 -8.859 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.240 -3.852 -9.694 1.00 0.00 N ATOM 0 H LYS A 16 -4.637 -3.564 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.738 -5.380 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.635 -3.060 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.393 -2.362 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.953 -4.517 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.926 -3.136 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.096 -1.650 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.421 -3.123 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.382 -2.562 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.226 -1.736 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.014 -3.886 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.328 -3.834 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.284 -4.693 -9.084 1.00 0.00 H new ATOM 269 N ALA A 17 -2.850 -3.941 -5.680 1.00 0.00 N ATOM 270 CA ALA A 17 -1.675 -3.891 -6.597 1.00 0.00 C ATOM 271 C ALA A 17 -1.167 -5.310 -6.859 1.00 0.00 C ATOM 272 O ALA A 17 -0.684 -5.618 -7.931 1.00 0.00 O ATOM 273 CB ALA A 17 -0.562 -3.062 -5.952 1.00 0.00 C ATOM 0 H ALA A 17 -2.693 -3.551 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.971 -3.433 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.298 -3.024 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.923 -2.050 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.267 -3.520 -5.008 1.00 0.00 H new ATOM 279 N ALA A 18 -1.272 -6.178 -5.890 1.00 0.00 N ATOM 280 CA ALA A 18 -0.793 -7.574 -6.086 1.00 0.00 C ATOM 281 C ALA A 18 -1.810 -8.352 -6.925 1.00 0.00 C ATOM 282 O ALA A 18 -1.563 -9.466 -7.342 1.00 0.00 O ATOM 283 CB ALA A 18 -0.631 -8.252 -4.725 1.00 0.00 C ATOM 0 H ALA A 18 -1.669 -5.980 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 18 0.167 -7.559 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.280 -9.274 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.094 -7.700 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.591 -8.266 -4.209 1.00 0.00 H new ATOM 289 N GLY A 19 -2.953 -7.774 -7.178 1.00 0.00 N ATOM 290 CA GLY A 19 -3.982 -8.484 -7.990 1.00 0.00 C ATOM 291 C GLY A 19 -4.768 -9.445 -7.096 1.00 0.00 C ATOM 292 O GLY A 19 -5.399 -10.371 -7.569 1.00 0.00 O ATOM 0 H GLY A 19 -3.218 -6.843 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.658 -7.763 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.504 -9.034 -8.801 1.00 0.00 H new ATOM 296 N ILE A 20 -4.737 -9.235 -5.809 1.00 0.00 N ATOM 297 CA ILE A 20 -5.483 -10.137 -4.888 1.00 0.00 C ATOM 298 C ILE A 20 -6.921 -9.635 -4.744 1.00 0.00 C ATOM 299 O ILE A 20 -7.359 -9.276 -3.669 1.00 0.00 O ATOM 300 CB ILE A 20 -4.802 -10.143 -3.517 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.303 -10.397 -3.699 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.403 -11.250 -2.650 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.535 -9.800 -2.517 1.00 0.00 C ATOM 0 H ILE A 20 -4.227 -8.477 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.489 -11.149 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.955 -9.180 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.111 -11.468 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.959 -9.951 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.917 -11.253 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.471 -11.073 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.250 -12.215 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.468 -9.981 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.717 -8.726 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.872 -10.267 -1.591 1.00 0.00 H new ATOM 315 N GLU A 21 -7.658 -9.605 -5.821 1.00 0.00 N ATOM 316 CA GLU A 21 -9.067 -9.124 -5.747 1.00 0.00 C ATOM 317 C GLU A 21 -10.002 -10.307 -5.496 1.00 0.00 C ATOM 318 O GLU A 21 -9.571 -11.389 -5.145 1.00 0.00 O ATOM 319 CB GLU A 21 -9.444 -8.448 -7.067 1.00 0.00 C ATOM 320 CG GLU A 21 -8.370 -7.427 -7.446 1.00 0.00 C ATOM 321 CD GLU A 21 -8.467 -7.114 -8.940 1.00 0.00 C ATOM 322 OE1 GLU A 21 -9.575 -6.929 -9.416 1.00 0.00 O ATOM 323 OE2 GLU A 21 -7.431 -7.064 -9.582 1.00 0.00 O ATOM 0 H GLU A 21 -7.346 -9.893 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.162 -8.409 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.544 -9.195 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.411 -7.955 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.499 -6.515 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.381 -7.819 -7.209 1.00 0.00 H new ATOM 330 N SER A 22 -11.281 -10.112 -5.671 1.00 0.00 N ATOM 331 CA SER A 22 -12.245 -11.225 -5.442 1.00 0.00 C ATOM 332 C SER A 22 -11.827 -12.440 -6.271 1.00 0.00 C ATOM 333 O SER A 22 -11.246 -13.379 -5.765 1.00 0.00 O ATOM 334 CB SER A 22 -13.646 -10.781 -5.860 1.00 0.00 C ATOM 335 OG SER A 22 -14.033 -9.655 -5.083 1.00 0.00 O ATOM 0 H SER A 22 -11.700 -9.229 -5.963 1.00 0.00 H new ATOM 0 HA SER A 22 -12.249 -11.490 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.659 -10.528 -6.920 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.356 -11.596 -5.719 1.00 0.00 H new ATOM 0 HG SER A 22 -14.931 -9.366 -5.350 1.00 0.00 H new ATOM 341 N GLY A 23 -12.117 -12.431 -7.544 1.00 0.00 N ATOM 342 CA GLY A 23 -11.736 -13.588 -8.401 1.00 0.00 C ATOM 343 C GLY A 23 -11.784 -13.180 -9.874 1.00 0.00 C ATOM 344 O GLY A 23 -12.755 -12.620 -10.343 1.00 0.00 O ATOM 0 H GLY A 23 -12.601 -11.673 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.734 -13.930 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.414 -14.423 -8.223 1.00 0.00 H new ATOM 348 N SER A 24 -10.742 -13.462 -10.608 1.00 0.00 N ATOM 349 CA SER A 24 -10.722 -13.099 -12.053 1.00 0.00 C ATOM 350 C SER A 24 -10.177 -14.278 -12.860 1.00 0.00 C ATOM 351 O SER A 24 -9.359 -14.116 -13.743 1.00 0.00 O ATOM 352 CB SER A 24 -9.826 -11.879 -12.261 1.00 0.00 C ATOM 353 OG SER A 24 -10.584 -10.696 -12.041 1.00 0.00 O ATOM 0 H SER A 24 -9.902 -13.929 -10.268 1.00 0.00 H new ATOM 0 HA SER A 24 -11.733 -12.864 -12.386 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.979 -11.915 -11.576 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.419 -11.881 -13.272 1.00 0.00 H new ATOM 0 HG SER A 24 -10.011 -9.912 -12.172 1.00 0.00 H new ATOM 359 N GLY A 25 -10.623 -15.466 -12.558 1.00 0.00 N ATOM 360 CA GLY A 25 -10.133 -16.664 -13.297 1.00 0.00 C ATOM 361 C GLY A 25 -9.790 -17.764 -12.293 1.00 0.00 C ATOM 362 O GLY A 25 -10.230 -18.890 -12.413 1.00 0.00 O ATOM 0 H GLY A 25 -11.309 -15.660 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.895 -17.014 -13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.254 -16.408 -13.889 1.00 0.00 H new ATOM 366 N GLU A 26 -9.014 -17.440 -11.295 1.00 0.00 N ATOM 367 CA GLU A 26 -8.646 -18.457 -10.271 1.00 0.00 C ATOM 368 C GLU A 26 -9.638 -18.375 -9.106 1.00 0.00 C ATOM 369 O GLU A 26 -10.316 -17.381 -8.944 1.00 0.00 O ATOM 370 CB GLU A 26 -7.231 -18.170 -9.760 1.00 0.00 C ATOM 371 CG GLU A 26 -6.223 -18.417 -10.884 1.00 0.00 C ATOM 372 CD GLU A 26 -5.454 -19.709 -10.606 1.00 0.00 C ATOM 373 OE1 GLU A 26 -5.074 -19.914 -9.465 1.00 0.00 O ATOM 374 OE2 GLU A 26 -5.260 -20.472 -11.537 1.00 0.00 O ATOM 0 H GLU A 26 -8.618 -16.512 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.678 -19.454 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.160 -17.139 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.004 -18.809 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.740 -18.488 -11.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.531 -17.578 -10.957 1.00 0.00 H new ATOM 381 N PRO A 27 -9.692 -19.426 -8.329 1.00 0.00 N ATOM 382 CA PRO A 27 -10.592 -19.505 -7.167 1.00 0.00 C ATOM 383 C PRO A 27 -10.023 -18.705 -5.990 1.00 0.00 C ATOM 384 O PRO A 27 -10.576 -18.695 -4.909 1.00 0.00 O ATOM 385 CB PRO A 27 -10.632 -21.000 -6.842 1.00 0.00 C ATOM 386 CG PRO A 27 -9.346 -21.612 -7.449 1.00 0.00 C ATOM 387 CD PRO A 27 -8.862 -20.632 -8.536 1.00 0.00 C ATOM 0 HA PRO A 27 -11.581 -19.090 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.669 -21.163 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.522 -21.466 -7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.583 -21.748 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.548 -22.594 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.801 -20.409 -8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -9.001 -21.045 -9.535 1.00 0.00 H new ATOM 395 N ASN A 28 -8.922 -18.033 -6.193 1.00 0.00 N ATOM 396 CA ASN A 28 -8.321 -17.237 -5.086 1.00 0.00 C ATOM 397 C ASN A 28 -7.743 -18.185 -4.035 1.00 0.00 C ATOM 398 O ASN A 28 -8.335 -18.417 -2.999 1.00 0.00 O ATOM 399 CB ASN A 28 -9.399 -16.360 -4.443 1.00 0.00 C ATOM 400 CG ASN A 28 -8.804 -14.997 -4.089 1.00 0.00 C ATOM 401 OD1 ASN A 28 -8.761 -14.107 -4.915 1.00 0.00 O ATOM 402 ND2 ASN A 28 -8.339 -14.794 -2.885 1.00 0.00 N ATOM 0 H ASN A 28 -8.414 -18.001 -7.077 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.527 -16.604 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.238 -16.236 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.788 -16.843 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.940 -13.888 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.375 -15.541 -2.192 1.00 0.00 H new ATOM 409 N ARG A 29 -6.590 -18.737 -4.293 1.00 0.00 N ATOM 410 CA ARG A 29 -5.974 -19.673 -3.309 1.00 0.00 C ATOM 411 C ARG A 29 -4.885 -18.942 -2.519 1.00 0.00 C ATOM 412 O ARG A 29 -4.303 -19.485 -1.601 1.00 0.00 O ATOM 413 CB ARG A 29 -5.357 -20.861 -4.051 1.00 0.00 C ATOM 414 CG ARG A 29 -6.410 -21.503 -4.958 1.00 0.00 C ATOM 415 CD ARG A 29 -7.531 -22.096 -4.103 1.00 0.00 C ATOM 416 NE ARG A 29 -7.755 -23.516 -4.492 1.00 0.00 N ATOM 417 CZ ARG A 29 -7.048 -24.465 -3.941 1.00 0.00 C ATOM 418 NH1 ARG A 29 -5.917 -24.833 -4.479 1.00 0.00 N ATOM 419 NH2 ARG A 29 -7.470 -25.043 -2.850 1.00 0.00 N ATOM 0 H ARG A 29 -6.047 -18.581 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.740 -20.032 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.505 -20.529 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.982 -21.594 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.816 -20.759 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.953 -22.282 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.269 -22.034 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.448 -21.522 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.462 -23.747 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.586 -24.379 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.365 -25.575 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.352 -24.753 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.918 -25.785 -2.419 1.00 0.00 H new ATOM 433 N ASN A 30 -4.604 -17.715 -2.867 1.00 0.00 N ATOM 434 CA ASN A 30 -3.551 -16.956 -2.133 1.00 0.00 C ATOM 435 C ASN A 30 -2.209 -17.680 -2.276 1.00 0.00 C ATOM 436 O ASN A 30 -2.091 -18.851 -1.979 1.00 0.00 O ATOM 437 CB ASN A 30 -3.926 -16.861 -0.652 1.00 0.00 C ATOM 438 CG ASN A 30 -4.448 -15.457 -0.347 1.00 0.00 C ATOM 439 OD1 ASN A 30 -4.382 -14.576 -1.182 1.00 0.00 O ATOM 440 ND2 ASN A 30 -4.969 -15.207 0.824 1.00 0.00 N ATOM 0 H ASN A 30 -5.057 -17.206 -3.626 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.469 -15.952 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.686 -17.604 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.057 -17.080 -0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.320 -14.273 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.025 -15.945 1.525 1.00 0.00 H new ATOM 447 N LYS A 31 -1.198 -16.991 -2.731 1.00 0.00 N ATOM 448 CA LYS A 31 0.132 -17.644 -2.895 1.00 0.00 C ATOM 449 C LYS A 31 1.239 -16.669 -2.491 1.00 0.00 C ATOM 450 O LYS A 31 1.595 -15.780 -3.239 1.00 0.00 O ATOM 451 CB LYS A 31 0.323 -18.047 -4.358 1.00 0.00 C ATOM 452 CG LYS A 31 -0.506 -19.296 -4.660 1.00 0.00 C ATOM 453 CD LYS A 31 0.247 -20.180 -5.658 1.00 0.00 C ATOM 454 CE LYS A 31 -0.554 -20.281 -6.957 1.00 0.00 C ATOM 455 NZ LYS A 31 0.378 -20.244 -8.120 1.00 0.00 N ATOM 0 H LYS A 31 -1.235 -16.007 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 31 0.179 -18.529 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.020 -17.230 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.377 -18.241 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.698 -19.849 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.476 -19.012 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.233 -19.762 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.402 -21.173 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.132 -21.205 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.267 -19.459 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.166 -20.313 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.910 -19.351 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.041 -21.043 -8.059 1.00 0.00 H new ATOM 469 N VAL A 32 1.791 -16.837 -1.316 1.00 0.00 N ATOM 470 CA VAL A 32 2.885 -15.929 -0.857 1.00 0.00 C ATOM 471 C VAL A 32 2.582 -14.491 -1.282 1.00 0.00 C ATOM 472 O VAL A 32 3.435 -13.796 -1.797 1.00 0.00 O ATOM 473 CB VAL A 32 4.204 -16.371 -1.487 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.108 -16.226 -3.006 1.00 0.00 C ATOM 475 CG2 VAL A 32 5.338 -15.489 -0.961 1.00 0.00 C ATOM 0 H VAL A 32 1.530 -17.567 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 32 2.958 -15.976 0.230 1.00 0.00 H new ATOM 0 HB VAL A 32 4.405 -17.411 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.047 -16.540 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.296 -16.850 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.912 -15.184 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.281 -15.803 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.141 -14.449 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.402 -15.586 0.123 1.00 0.00 H new ATOM 485 N ALA A 33 1.369 -14.052 -1.076 1.00 0.00 N ATOM 486 CA ALA A 33 0.982 -12.661 -1.466 1.00 0.00 C ATOM 487 C ALA A 33 2.158 -11.705 -1.256 1.00 0.00 C ATOM 488 O ALA A 33 2.417 -11.247 -0.160 1.00 0.00 O ATOM 489 CB ALA A 33 -0.201 -12.203 -0.611 1.00 0.00 C ATOM 0 H ALA A 33 0.622 -14.601 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 33 0.702 -12.655 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.484 -11.189 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.046 -12.873 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.083 -12.220 0.441 1.00 0.00 H new ATOM 495 N THR A 34 2.871 -11.399 -2.306 1.00 0.00 N ATOM 496 CA THR A 34 4.030 -10.474 -2.179 1.00 0.00 C ATOM 497 C THR A 34 3.770 -9.223 -3.019 1.00 0.00 C ATOM 498 O THR A 34 2.999 -9.244 -3.958 1.00 0.00 O ATOM 499 CB THR A 34 5.297 -11.168 -2.684 1.00 0.00 C ATOM 500 OG1 THR A 34 4.939 -12.191 -3.608 1.00 0.00 O ATOM 501 CG2 THR A 34 6.055 -11.774 -1.501 1.00 0.00 C ATOM 0 H THR A 34 2.699 -11.751 -3.248 1.00 0.00 H new ATOM 0 HA THR A 34 4.161 -10.196 -1.133 1.00 0.00 H new ATOM 0 HB THR A 34 5.939 -10.442 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.521 -12.935 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.957 -12.268 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.329 -10.984 -0.801 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.420 -12.502 -0.996 1.00 0.00 H new ATOM 509 N ILE A 35 4.407 -8.134 -2.692 1.00 0.00 N ATOM 510 CA ILE A 35 4.192 -6.887 -3.477 1.00 0.00 C ATOM 511 C ILE A 35 5.543 -6.297 -3.879 1.00 0.00 C ATOM 512 O ILE A 35 6.417 -6.104 -3.056 1.00 0.00 O ATOM 513 CB ILE A 35 3.427 -5.870 -2.626 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.972 -6.323 -2.478 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.469 -4.497 -3.305 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.223 -6.093 -3.794 1.00 0.00 C ATOM 0 H ILE A 35 5.066 -8.053 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 35 3.615 -7.119 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 35 3.889 -5.800 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.935 -7.378 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.489 -5.770 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.924 -3.774 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.505 -4.175 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.008 -4.564 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.188 -6.417 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.247 -5.033 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.700 -6.666 -4.589 1.00 0.00 H new ATOM 528 N LYS A 36 5.718 -6.001 -5.135 1.00 0.00 N ATOM 529 CA LYS A 36 7.008 -5.415 -5.581 1.00 0.00 C ATOM 530 C LYS A 36 7.118 -3.996 -5.027 1.00 0.00 C ATOM 531 O LYS A 36 6.135 -3.299 -4.885 1.00 0.00 O ATOM 532 CB LYS A 36 7.056 -5.377 -7.110 1.00 0.00 C ATOM 533 CG LYS A 36 6.931 -6.799 -7.660 1.00 0.00 C ATOM 534 CD LYS A 36 5.858 -6.836 -8.749 1.00 0.00 C ATOM 535 CE LYS A 36 6.025 -8.105 -9.586 1.00 0.00 C ATOM 536 NZ LYS A 36 4.684 -8.611 -9.994 1.00 0.00 N ATOM 0 H LYS A 36 5.024 -6.140 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 36 7.837 -6.021 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.248 -4.755 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.991 -4.927 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.887 -7.128 -8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.672 -7.489 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.866 -6.813 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.940 -5.955 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.630 -7.895 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.553 -8.866 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.797 -9.474 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.122 -8.827 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.196 -7.886 -10.558 1.00 0.00 H new ATOM 550 N ARG A 37 8.303 -3.562 -4.710 1.00 0.00 N ATOM 551 CA ARG A 37 8.471 -2.191 -4.164 1.00 0.00 C ATOM 552 C ARG A 37 8.249 -1.189 -5.290 1.00 0.00 C ATOM 553 O ARG A 37 7.901 -0.046 -5.066 1.00 0.00 O ATOM 554 CB ARG A 37 9.890 -2.040 -3.623 1.00 0.00 C ATOM 555 CG ARG A 37 9.858 -1.267 -2.303 1.00 0.00 C ATOM 556 CD ARG A 37 9.449 -2.209 -1.169 1.00 0.00 C ATOM 557 NE ARG A 37 10.366 -2.016 -0.010 1.00 0.00 N ATOM 558 CZ ARG A 37 11.169 -2.979 0.356 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.872 -3.619 -0.538 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.266 -3.302 1.617 1.00 0.00 N ATOM 0 H ARG A 37 9.165 -4.100 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 37 7.755 -2.013 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.338 -3.022 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.512 -1.515 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.838 -0.837 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.155 -0.437 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.420 -2.010 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.488 -3.244 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 37 10.366 -1.131 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.795 -3.367 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.499 -4.371 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.715 -2.803 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.893 -4.054 1.904 1.00 0.00 H new ATOM 574 N ASP A 38 8.457 -1.615 -6.501 1.00 0.00 N ATOM 575 CA ASP A 38 8.272 -0.700 -7.658 1.00 0.00 C ATOM 576 C ASP A 38 6.787 -0.359 -7.821 1.00 0.00 C ATOM 577 O ASP A 38 6.434 0.724 -8.245 1.00 0.00 O ATOM 578 CB ASP A 38 8.779 -1.377 -8.933 1.00 0.00 C ATOM 579 CG ASP A 38 8.310 -2.834 -8.961 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.112 -3.048 -9.035 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.158 -3.709 -8.906 1.00 0.00 O ATOM 0 H ASP A 38 8.749 -2.562 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 38 8.835 0.216 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.407 -0.848 -9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.867 -1.334 -8.972 1.00 0.00 H new ATOM 586 N LYS A 39 5.914 -1.272 -7.494 1.00 0.00 N ATOM 587 CA LYS A 39 4.456 -0.997 -7.640 1.00 0.00 C ATOM 588 C LYS A 39 3.918 -0.361 -6.355 1.00 0.00 C ATOM 589 O LYS A 39 3.186 0.609 -6.390 1.00 0.00 O ATOM 590 CB LYS A 39 3.713 -2.308 -7.905 1.00 0.00 C ATOM 591 CG LYS A 39 2.932 -2.195 -9.216 1.00 0.00 C ATOM 592 CD LYS A 39 1.879 -3.304 -9.281 1.00 0.00 C ATOM 593 CE LYS A 39 1.242 -3.323 -10.671 1.00 0.00 C ATOM 594 NZ LYS A 39 0.696 -4.682 -10.947 1.00 0.00 N ATOM 0 H LYS A 39 6.147 -2.197 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 39 4.302 -0.313 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.421 -3.135 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.033 -2.526 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.452 -1.219 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.612 -2.274 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.338 -4.269 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.115 -3.139 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.446 -2.581 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.982 -3.056 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.262 -4.697 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.466 -5.380 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.022 -4.919 -10.233 1.00 0.00 H new ATOM 608 N VAL A 40 4.272 -0.902 -5.222 1.00 0.00 N ATOM 609 CA VAL A 40 3.779 -0.335 -3.936 1.00 0.00 C ATOM 610 C VAL A 40 4.155 1.150 -3.855 1.00 0.00 C ATOM 611 O VAL A 40 3.388 1.972 -3.394 1.00 0.00 O ATOM 612 CB VAL A 40 4.397 -1.127 -2.768 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.630 -0.411 -2.201 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.354 -1.289 -1.660 1.00 0.00 C ATOM 0 H VAL A 40 4.883 -1.714 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 40 2.694 -0.416 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 40 4.708 -2.102 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.043 -0.995 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.381 -0.305 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.343 0.576 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.787 -1.849 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.040 -0.306 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.490 -1.828 -2.049 1.00 0.00 H new ATOM 624 N ARG A 41 5.333 1.497 -4.297 1.00 0.00 N ATOM 625 CA ARG A 41 5.763 2.924 -4.244 1.00 0.00 C ATOM 626 C ARG A 41 4.966 3.739 -5.265 1.00 0.00 C ATOM 627 O ARG A 41 4.786 4.932 -5.117 1.00 0.00 O ATOM 628 CB ARG A 41 7.255 3.021 -4.568 1.00 0.00 C ATOM 629 CG ARG A 41 7.720 4.471 -4.410 1.00 0.00 C ATOM 630 CD ARG A 41 7.828 5.129 -5.787 1.00 0.00 C ATOM 631 NE ARG A 41 9.205 5.669 -5.971 1.00 0.00 N ATOM 632 CZ ARG A 41 10.113 4.949 -6.572 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.935 3.664 -6.716 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.196 5.514 -7.028 1.00 0.00 N ATOM 0 H ARG A 41 6.018 0.853 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 41 5.581 3.319 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.825 2.371 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.440 2.678 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.017 5.023 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.685 4.501 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.603 4.403 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.096 5.931 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 41 9.438 6.601 -5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.087 3.223 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.644 3.100 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.334 6.518 -6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.906 4.952 -7.498 1.00 0.00 H new ATOM 648 N GLU A 42 4.491 3.107 -6.303 1.00 0.00 N ATOM 649 CA GLU A 42 3.710 3.845 -7.336 1.00 0.00 C ATOM 650 C GLU A 42 2.383 4.317 -6.738 1.00 0.00 C ATOM 651 O GLU A 42 2.064 5.489 -6.760 1.00 0.00 O ATOM 652 CB GLU A 42 3.434 2.918 -8.521 1.00 0.00 C ATOM 653 CG GLU A 42 3.526 3.712 -9.827 1.00 0.00 C ATOM 654 CD GLU A 42 2.480 4.828 -9.820 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.303 4.511 -9.857 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.875 5.982 -9.780 1.00 0.00 O ATOM 0 H GLU A 42 4.610 2.110 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 42 4.281 4.710 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.153 2.099 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.444 2.472 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.524 4.135 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.363 3.052 -10.679 1.00 0.00 H new ATOM 663 N ILE A 43 1.605 3.414 -6.207 1.00 0.00 N ATOM 664 CA ILE A 43 0.298 3.812 -5.611 1.00 0.00 C ATOM 665 C ILE A 43 0.532 4.832 -4.496 1.00 0.00 C ATOM 666 O ILE A 43 -0.062 5.891 -4.478 1.00 0.00 O ATOM 667 CB ILE A 43 -0.394 2.576 -5.034 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.610 1.551 -6.148 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.746 2.977 -4.443 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.114 0.181 -5.685 1.00 0.00 C ATOM 0 H ILE A 43 1.818 2.418 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.332 4.257 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 43 0.229 2.141 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.667 1.498 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.076 1.858 -7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.239 2.096 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.594 3.710 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.370 3.411 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.268 -0.549 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.948 0.240 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.668 -0.126 -4.798 1.00 0.00 H new ATOM 682 N ALA A 44 1.390 4.520 -3.564 1.00 0.00 N ATOM 683 CA ALA A 44 1.656 5.472 -2.449 1.00 0.00 C ATOM 684 C ALA A 44 2.085 6.826 -3.019 1.00 0.00 C ATOM 685 O ALA A 44 1.762 7.866 -2.479 1.00 0.00 O ATOM 686 CB ALA A 44 2.767 4.915 -1.557 1.00 0.00 C ATOM 0 H ALA A 44 1.918 3.648 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 44 0.748 5.602 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.962 5.611 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.457 3.954 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.675 4.783 -2.146 1.00 0.00 H new ATOM 692 N GLU A 45 2.810 6.826 -4.103 1.00 0.00 N ATOM 693 CA GLU A 45 3.256 8.119 -4.701 1.00 0.00 C ATOM 694 C GLU A 45 2.029 8.952 -5.079 1.00 0.00 C ATOM 695 O GLU A 45 1.955 10.131 -4.791 1.00 0.00 O ATOM 696 CB GLU A 45 4.093 7.842 -5.954 1.00 0.00 C ATOM 697 CG GLU A 45 4.859 9.109 -6.347 1.00 0.00 C ATOM 698 CD GLU A 45 5.583 8.879 -7.676 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.925 8.488 -8.626 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.782 9.099 -7.720 1.00 0.00 O ATOM 0 H GLU A 45 3.113 5.989 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 45 3.860 8.667 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.791 7.026 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.447 7.526 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.171 9.949 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.578 9.368 -5.570 1.00 0.00 H new ATOM 707 N LEU A 46 1.066 8.348 -5.720 1.00 0.00 N ATOM 708 CA LEU A 46 -0.158 9.102 -6.115 1.00 0.00 C ATOM 709 C LEU A 46 -0.881 9.592 -4.858 1.00 0.00 C ATOM 710 O LEU A 46 -1.532 10.618 -4.864 1.00 0.00 O ATOM 711 CB LEU A 46 -1.086 8.182 -6.913 1.00 0.00 C ATOM 712 CG LEU A 46 -1.003 8.530 -8.400 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.720 9.858 -8.654 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.465 8.656 -8.814 1.00 0.00 C ATOM 0 H LEU A 46 1.074 7.364 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 46 0.122 9.958 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.804 7.141 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.112 8.290 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.479 7.742 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.661 10.106 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.766 9.769 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.245 10.646 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.524 8.904 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.941 9.443 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.976 7.710 -8.634 1.00 0.00 H new ATOM 726 N LYS A 47 -0.775 8.862 -3.783 1.00 0.00 N ATOM 727 CA LYS A 47 -1.456 9.277 -2.523 1.00 0.00 C ATOM 728 C LYS A 47 -0.427 9.860 -1.555 1.00 0.00 C ATOM 729 O LYS A 47 -0.722 10.136 -0.411 1.00 0.00 O ATOM 730 CB LYS A 47 -2.115 8.058 -1.874 1.00 0.00 C ATOM 731 CG LYS A 47 -2.730 7.166 -2.954 1.00 0.00 C ATOM 732 CD LYS A 47 -4.243 7.131 -2.770 1.00 0.00 C ATOM 733 CE LYS A 47 -4.618 5.965 -1.854 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.081 6.212 -0.486 1.00 0.00 N ATOM 0 H LYS A 47 -0.245 7.993 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.213 10.027 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.377 7.496 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.885 8.379 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.480 7.548 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.320 6.158 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.590 8.071 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.735 7.021 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.702 5.853 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.215 5.033 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.575 5.602 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.063 5.998 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.229 7.209 -0.230 1.00 0.00 H new ATOM 748 N MET A 48 0.782 10.035 -2.004 1.00 0.00 N ATOM 749 CA MET A 48 1.839 10.586 -1.109 1.00 0.00 C ATOM 750 C MET A 48 1.449 11.982 -0.592 1.00 0.00 C ATOM 751 O MET A 48 1.624 12.262 0.576 1.00 0.00 O ATOM 752 CB MET A 48 3.167 10.666 -1.867 1.00 0.00 C ATOM 753 CG MET A 48 4.176 11.466 -1.043 1.00 0.00 C ATOM 754 SD MET A 48 4.122 13.203 -1.546 1.00 0.00 S ATOM 755 CE MET A 48 5.903 13.508 -1.479 1.00 0.00 C ATOM 0 H MET A 48 1.086 9.820 -2.954 1.00 0.00 H new ATOM 0 HA MET A 48 1.946 9.921 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.550 9.664 -2.058 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.016 11.140 -2.837 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.947 11.376 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.179 11.065 -1.188 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.194 14.148 -2.312 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.153 14.000 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.437 12.560 -1.545 1.00 0.00 H new ATOM 765 N PRO A 49 0.940 12.825 -1.465 1.00 0.00 N ATOM 766 CA PRO A 49 0.540 14.193 -1.087 1.00 0.00 C ATOM 767 C PRO A 49 -0.827 14.196 -0.391 1.00 0.00 C ATOM 768 O PRO A 49 -1.436 15.232 -0.208 1.00 0.00 O ATOM 769 CB PRO A 49 0.466 14.927 -2.428 1.00 0.00 C ATOM 770 CG PRO A 49 0.266 13.842 -3.512 1.00 0.00 C ATOM 771 CD PRO A 49 0.718 12.507 -2.892 1.00 0.00 C ATOM 0 HA PRO A 49 1.232 14.655 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.359 15.639 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.379 15.494 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.778 13.791 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.851 14.073 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.041 11.734 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.628 12.137 -3.364 1.00 0.00 H new ATOM 779 N ASP A 50 -1.316 13.050 0.001 1.00 0.00 N ATOM 780 CA ASP A 50 -2.642 13.002 0.683 1.00 0.00 C ATOM 781 C ASP A 50 -2.474 12.424 2.091 1.00 0.00 C ATOM 782 O ASP A 50 -3.437 12.212 2.801 1.00 0.00 O ATOM 783 CB ASP A 50 -3.598 12.120 -0.121 1.00 0.00 C ATOM 784 CG ASP A 50 -4.066 12.876 -1.366 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.290 12.971 -2.303 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.191 13.348 -1.362 1.00 0.00 O ATOM 0 H ASP A 50 -0.856 12.148 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.050 14.010 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.099 11.195 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.455 11.842 0.492 1.00 0.00 H new ATOM 791 N LEU A 51 -1.261 12.169 2.502 1.00 0.00 N ATOM 792 CA LEU A 51 -1.041 11.604 3.866 1.00 0.00 C ATOM 793 C LEU A 51 0.013 12.437 4.595 1.00 0.00 C ATOM 794 O LEU A 51 0.874 11.911 5.271 1.00 0.00 O ATOM 795 CB LEU A 51 -0.552 10.149 3.774 1.00 0.00 C ATOM 796 CG LEU A 51 -0.718 9.619 2.346 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.088 8.331 2.183 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.197 9.333 2.077 1.00 0.00 C ATOM 0 H LEU A 51 -0.415 12.327 1.955 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.985 11.629 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.495 10.091 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.115 9.525 4.468 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.357 10.365 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.030 7.954 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.142 8.534 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.272 7.585 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.316 8.956 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.558 8.587 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.772 10.252 2.193 1.00 0.00 H new ATOM 810 N ASN A 52 -0.045 13.735 4.463 1.00 0.00 N ATOM 811 CA ASN A 52 0.957 14.597 5.148 1.00 0.00 C ATOM 812 C ASN A 52 2.351 13.993 4.969 1.00 0.00 C ATOM 813 O ASN A 52 3.150 13.970 5.885 1.00 0.00 O ATOM 814 CB ASN A 52 0.624 14.679 6.639 1.00 0.00 C ATOM 815 CG ASN A 52 -0.699 15.422 6.829 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.714 16.621 7.022 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.820 14.755 6.782 1.00 0.00 N ATOM 0 H ASN A 52 -0.743 14.234 3.911 1.00 0.00 H new ATOM 0 HA ASN A 52 0.935 15.597 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.554 13.677 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.422 15.195 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.708 15.241 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.808 13.748 6.620 1.00 0.00 H new ATOM 824 N ALA A 53 2.649 13.501 3.798 1.00 0.00 N ATOM 825 CA ALA A 53 3.990 12.896 3.566 1.00 0.00 C ATOM 826 C ALA A 53 4.883 13.893 2.826 1.00 0.00 C ATOM 827 O ALA A 53 4.591 14.299 1.719 1.00 0.00 O ATOM 828 CB ALA A 53 3.839 11.628 2.723 1.00 0.00 C ATOM 0 H ALA A 53 2.023 13.492 2.993 1.00 0.00 H new ATOM 0 HA ALA A 53 4.443 12.646 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.820 11.185 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.205 10.914 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.384 11.880 1.765 1.00 0.00 H new ATOM 834 N ALA A 54 5.973 14.288 3.427 1.00 0.00 N ATOM 835 CA ALA A 54 6.885 15.256 2.755 1.00 0.00 C ATOM 836 C ALA A 54 7.769 14.507 1.753 1.00 0.00 C ATOM 837 O ALA A 54 8.663 15.073 1.156 1.00 0.00 O ATOM 838 CB ALA A 54 7.765 15.939 3.803 1.00 0.00 C ATOM 0 H ALA A 54 6.271 13.982 4.353 1.00 0.00 H new ATOM 0 HA ALA A 54 6.297 16.009 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.432 16.647 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.135 16.469 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.356 15.188 4.328 1.00 0.00 H new ATOM 844 N SER A 55 7.526 13.238 1.565 1.00 0.00 N ATOM 845 CA SER A 55 8.348 12.452 0.604 1.00 0.00 C ATOM 846 C SER A 55 7.870 10.999 0.607 1.00 0.00 C ATOM 847 O SER A 55 6.992 10.628 1.359 1.00 0.00 O ATOM 848 CB SER A 55 9.817 12.508 1.025 1.00 0.00 C ATOM 849 OG SER A 55 9.903 12.443 2.442 1.00 0.00 O ATOM 0 H SER A 55 6.791 12.711 2.037 1.00 0.00 H new ATOM 0 HA SER A 55 8.244 12.870 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.367 11.680 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.276 13.428 0.663 1.00 0.00 H new ATOM 0 HG SER A 55 10.844 12.477 2.715 1.00 0.00 H new ATOM 855 N ILE A 56 8.438 10.173 -0.228 1.00 0.00 N ATOM 856 CA ILE A 56 8.010 8.747 -0.266 1.00 0.00 C ATOM 857 C ILE A 56 8.348 8.082 1.069 1.00 0.00 C ATOM 858 O ILE A 56 7.558 7.345 1.623 1.00 0.00 O ATOM 859 CB ILE A 56 8.742 8.021 -1.394 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.587 8.814 -2.694 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.143 6.624 -1.574 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.117 9.186 -2.895 1.00 0.00 C ATOM 0 H ILE A 56 9.178 10.423 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 56 6.935 8.695 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 56 9.800 7.933 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.199 9.715 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.942 8.222 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.665 6.105 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.252 6.059 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.086 6.711 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.008 9.751 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.516 8.278 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.778 9.795 -2.057 1.00 0.00 H new ATOM 874 N GLU A 57 9.515 8.333 1.593 1.00 0.00 N ATOM 875 CA GLU A 57 9.889 7.713 2.893 1.00 0.00 C ATOM 876 C GLU A 57 8.710 7.833 3.860 1.00 0.00 C ATOM 877 O GLU A 57 8.536 7.025 4.748 1.00 0.00 O ATOM 878 CB GLU A 57 11.106 8.434 3.476 1.00 0.00 C ATOM 879 CG GLU A 57 12.385 7.760 2.978 1.00 0.00 C ATOM 880 CD GLU A 57 13.331 8.816 2.407 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.512 9.834 3.055 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.860 8.591 1.329 1.00 0.00 O ATOM 0 H GLU A 57 10.223 8.939 1.179 1.00 0.00 H new ATOM 0 HA GLU A 57 10.136 6.662 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.096 9.483 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.070 8.409 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.870 7.227 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.145 7.021 2.214 1.00 0.00 H new ATOM 889 N ALA A 58 7.897 8.839 3.688 1.00 0.00 N ATOM 890 CA ALA A 58 6.724 9.016 4.589 1.00 0.00 C ATOM 891 C ALA A 58 5.508 8.292 4.002 1.00 0.00 C ATOM 892 O ALA A 58 4.687 7.758 4.721 1.00 0.00 O ATOM 893 CB ALA A 58 6.411 10.507 4.728 1.00 0.00 C ATOM 0 H ALA A 58 7.995 9.547 2.961 1.00 0.00 H new ATOM 0 HA ALA A 58 6.954 8.597 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.553 10.639 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.274 11.022 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.183 10.924 3.747 1.00 0.00 H new ATOM 899 N ALA A 59 5.383 8.274 2.701 1.00 0.00 N ATOM 900 CA ALA A 59 4.215 7.590 2.073 1.00 0.00 C ATOM 901 C ALA A 59 4.515 6.097 1.914 1.00 0.00 C ATOM 902 O ALA A 59 3.877 5.258 2.518 1.00 0.00 O ATOM 903 CB ALA A 59 3.944 8.204 0.699 1.00 0.00 C ATOM 0 H ALA A 59 6.038 8.703 2.047 1.00 0.00 H new ATOM 0 HA ALA A 59 3.339 7.716 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.091 7.705 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.726 9.266 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.822 8.079 0.065 1.00 0.00 H new ATOM 909 N MET A 60 5.478 5.759 1.104 1.00 0.00 N ATOM 910 CA MET A 60 5.816 4.321 0.911 1.00 0.00 C ATOM 911 C MET A 60 5.986 3.659 2.278 1.00 0.00 C ATOM 912 O MET A 60 5.854 2.459 2.419 1.00 0.00 O ATOM 913 CB MET A 60 7.121 4.208 0.120 1.00 0.00 C ATOM 914 CG MET A 60 7.459 2.733 -0.102 1.00 0.00 C ATOM 915 SD MET A 60 8.989 2.325 0.774 1.00 0.00 S ATOM 916 CE MET A 60 10.096 2.394 -0.656 1.00 0.00 C ATOM 0 H MET A 60 6.046 6.415 0.567 1.00 0.00 H new ATOM 0 HA MET A 60 5.017 3.824 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.023 4.717 -0.839 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.930 4.700 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.644 2.104 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.573 2.531 -1.167 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.114 2.169 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.777 1.662 -1.398 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.064 3.392 -1.093 1.00 0.00 H new ATOM 926 N ARG A 61 6.274 4.435 3.287 1.00 0.00 N ATOM 927 CA ARG A 61 6.449 3.854 4.648 1.00 0.00 C ATOM 928 C ARG A 61 5.099 3.345 5.157 1.00 0.00 C ATOM 929 O ARG A 61 4.994 2.260 5.690 1.00 0.00 O ATOM 930 CB ARG A 61 6.987 4.931 5.594 1.00 0.00 C ATOM 931 CG ARG A 61 6.822 4.475 7.044 1.00 0.00 C ATOM 932 CD ARG A 61 7.999 4.985 7.875 1.00 0.00 C ATOM 933 NE ARG A 61 8.166 6.448 7.646 1.00 0.00 N ATOM 934 CZ ARG A 61 8.956 7.143 8.416 1.00 0.00 C ATOM 935 NH1 ARG A 61 10.248 6.986 8.337 1.00 0.00 N ATOM 936 NH2 ARG A 61 8.452 7.997 9.266 1.00 0.00 N ATOM 0 H ARG A 61 6.396 5.446 3.228 1.00 0.00 H new ATOM 0 HA ARG A 61 7.156 3.025 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.039 5.123 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.453 5.868 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.884 4.854 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.774 3.387 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.824 4.788 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.911 4.456 7.599 1.00 0.00 H new ATOM 0 HE ARG A 61 7.662 6.906 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.641 6.319 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.866 7.530 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.441 8.120 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.069 8.541 9.869 1.00 0.00 H new ATOM 950 N MET A 62 4.067 4.120 4.991 1.00 0.00 N ATOM 951 CA MET A 62 2.723 3.680 5.457 1.00 0.00 C ATOM 952 C MET A 62 2.239 2.529 4.571 1.00 0.00 C ATOM 953 O MET A 62 1.387 1.752 4.955 1.00 0.00 O ATOM 954 CB MET A 62 1.742 4.849 5.361 1.00 0.00 C ATOM 955 CG MET A 62 2.346 6.079 6.043 1.00 0.00 C ATOM 956 SD MET A 62 1.132 7.422 6.051 1.00 0.00 S ATOM 957 CE MET A 62 2.305 8.791 5.906 1.00 0.00 C ATOM 0 H MET A 62 4.095 5.040 4.552 1.00 0.00 H new ATOM 0 HA MET A 62 2.783 3.346 6.493 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.524 5.070 4.316 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.797 4.584 5.835 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.640 5.834 7.064 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.248 6.393 5.518 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.855 9.699 6.307 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.210 8.556 6.466 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.558 8.944 4.857 1.00 0.00 H new ATOM 967 N ILE A 63 2.779 2.413 3.387 1.00 0.00 N ATOM 968 CA ILE A 63 2.353 1.313 2.475 1.00 0.00 C ATOM 969 C ILE A 63 3.182 0.060 2.759 1.00 0.00 C ATOM 970 O ILE A 63 2.761 -1.044 2.487 1.00 0.00 O ATOM 971 CB ILE A 63 2.556 1.748 1.022 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.807 3.060 0.773 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.012 0.669 0.083 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.389 2.957 1.338 1.00 0.00 C ATOM 0 H ILE A 63 3.497 3.033 3.012 1.00 0.00 H new ATOM 0 HA ILE A 63 1.299 1.091 2.642 1.00 0.00 H new ATOM 0 HB ILE A 63 3.620 1.892 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.337 3.888 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.769 3.272 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.157 0.980 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.542 -0.267 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.948 0.524 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.142 3.892 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.140 2.140 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.437 2.766 2.410 1.00 0.00 H new ATOM 986 N GLU A 64 4.354 0.215 3.311 1.00 0.00 N ATOM 987 CA GLU A 64 5.188 -0.982 3.614 1.00 0.00 C ATOM 988 C GLU A 64 4.845 -1.485 5.017 1.00 0.00 C ATOM 989 O GLU A 64 4.998 -2.650 5.326 1.00 0.00 O ATOM 990 CB GLU A 64 6.672 -0.614 3.545 1.00 0.00 C ATOM 991 CG GLU A 64 6.982 0.465 4.584 1.00 0.00 C ATOM 992 CD GLU A 64 8.448 0.885 4.464 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.728 1.766 3.669 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.267 0.317 5.169 1.00 0.00 O ATOM 0 H GLU A 64 4.768 1.112 3.564 1.00 0.00 H new ATOM 0 HA GLU A 64 4.985 -1.764 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.285 -1.497 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.922 -0.254 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.332 1.327 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.782 0.087 5.587 1.00 0.00 H new ATOM 1001 N GLY A 65 4.369 -0.614 5.861 1.00 0.00 N ATOM 1002 CA GLY A 65 3.998 -1.037 7.239 1.00 0.00 C ATOM 1003 C GLY A 65 2.522 -1.426 7.250 1.00 0.00 C ATOM 1004 O GLY A 65 2.091 -2.256 8.027 1.00 0.00 O ATOM 0 H GLY A 65 4.221 0.374 5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.613 -1.880 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.181 -0.227 7.945 1.00 0.00 H new ATOM 1008 N THR A 66 1.746 -0.835 6.384 1.00 0.00 N ATOM 1009 CA THR A 66 0.297 -1.170 6.328 1.00 0.00 C ATOM 1010 C THR A 66 0.090 -2.333 5.358 1.00 0.00 C ATOM 1011 O THR A 66 -0.872 -3.068 5.450 1.00 0.00 O ATOM 1012 CB THR A 66 -0.491 0.049 5.842 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.225 1.154 6.694 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.988 -0.269 5.864 1.00 0.00 C ATOM 0 H THR A 66 2.055 -0.133 5.711 1.00 0.00 H new ATOM 0 HA THR A 66 -0.054 -1.453 7.320 1.00 0.00 H new ATOM 0 HB THR A 66 -0.189 0.296 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.640 1.549 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.549 0.599 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.190 -1.116 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.293 -0.516 6.881 1.00 0.00 H new ATOM 1022 N ALA A 67 0.991 -2.510 4.429 1.00 0.00 N ATOM 1023 CA ALA A 67 0.847 -3.629 3.457 1.00 0.00 C ATOM 1024 C ALA A 67 1.491 -4.889 4.040 1.00 0.00 C ATOM 1025 O ALA A 67 1.390 -5.963 3.482 1.00 0.00 O ATOM 1026 CB ALA A 67 1.538 -3.260 2.143 1.00 0.00 C ATOM 0 H ALA A 67 1.819 -1.928 4.302 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.210 -3.814 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.431 -4.080 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.079 -2.361 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.596 -3.075 2.328 1.00 0.00 H new ATOM 1032 N ARG A 68 2.152 -4.766 5.161 1.00 0.00 N ATOM 1033 CA ARG A 68 2.800 -5.956 5.779 1.00 0.00 C ATOM 1034 C ARG A 68 1.990 -6.403 6.999 1.00 0.00 C ATOM 1035 O ARG A 68 2.293 -7.399 7.625 1.00 0.00 O ATOM 1036 CB ARG A 68 4.224 -5.593 6.214 1.00 0.00 C ATOM 1037 CG ARG A 68 4.172 -4.693 7.450 1.00 0.00 C ATOM 1038 CD ARG A 68 5.586 -4.225 7.806 1.00 0.00 C ATOM 1039 NE ARG A 68 6.568 -5.290 7.450 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.737 -4.964 6.966 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.238 -3.784 7.207 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.403 -5.822 6.241 1.00 0.00 N ATOM 0 H ARG A 68 2.270 -3.892 5.674 1.00 0.00 H new ATOM 0 HA ARG A 68 2.838 -6.768 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.789 -6.499 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.744 -5.083 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.531 -3.833 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.736 -5.235 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.821 -3.305 7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.648 -3.999 8.871 1.00 0.00 H new ATOM 0 HE ARG A 68 6.327 -6.272 7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.717 -3.115 7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.151 -3.530 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.010 -6.745 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.316 -5.570 5.862 1.00 0.00 H new ATOM 1056 N SER A 69 0.961 -5.676 7.341 1.00 0.00 N ATOM 1057 CA SER A 69 0.134 -6.064 8.518 1.00 0.00 C ATOM 1058 C SER A 69 -0.998 -6.988 8.058 1.00 0.00 C ATOM 1059 O SER A 69 -1.551 -7.742 8.833 1.00 0.00 O ATOM 1060 CB SER A 69 -0.447 -4.805 9.167 1.00 0.00 C ATOM 1061 OG SER A 69 -1.847 -4.743 8.922 1.00 0.00 O ATOM 0 H SER A 69 0.658 -4.831 6.856 1.00 0.00 H new ATOM 0 HA SER A 69 0.751 -6.589 9.247 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.256 -4.816 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.042 -3.918 8.765 1.00 0.00 H new ATOM 0 HG SER A 69 -2.217 -3.937 9.340 1.00 0.00 H new ATOM 1067 N MET A 70 -1.342 -6.934 6.801 1.00 0.00 N ATOM 1068 CA MET A 70 -2.436 -7.808 6.288 1.00 0.00 C ATOM 1069 C MET A 70 -1.867 -9.188 5.951 1.00 0.00 C ATOM 1070 O MET A 70 -2.582 -10.170 5.900 1.00 0.00 O ATOM 1071 CB MET A 70 -3.038 -7.184 5.028 1.00 0.00 C ATOM 1072 CG MET A 70 -3.033 -5.660 5.160 1.00 0.00 C ATOM 1073 SD MET A 70 -4.543 -4.985 4.421 1.00 0.00 S ATOM 1074 CE MET A 70 -3.747 -3.740 3.377 1.00 0.00 C ATOM 0 H MET A 70 -0.913 -6.323 6.106 1.00 0.00 H new ATOM 0 HA MET A 70 -3.210 -7.908 7.049 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.465 -7.485 4.151 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.057 -7.544 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.971 -5.375 6.210 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.156 -5.244 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.498 -3.254 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.260 -2.995 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.003 -4.220 2.741 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.586 -9.271 5.718 1.00 0.00 N ATOM 1085 CA GLY A 71 0.029 -10.587 5.384 1.00 0.00 C ATOM 1086 C GLY A 71 0.767 -10.487 4.047 1.00 0.00 C ATOM 1087 O GLY A 71 1.213 -11.475 3.499 1.00 0.00 O ATOM 0 H GLY A 71 0.062 -8.484 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.721 -10.886 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.742 -11.356 5.328 1.00 0.00 H new ATOM 1091 N ILE A 72 0.899 -9.301 3.518 1.00 0.00 N ATOM 1092 CA ILE A 72 1.607 -9.140 2.216 1.00 0.00 C ATOM 1093 C ILE A 72 3.030 -8.638 2.467 1.00 0.00 C ATOM 1094 O ILE A 72 3.250 -7.742 3.257 1.00 0.00 O ATOM 1095 CB ILE A 72 0.857 -8.127 1.351 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.596 -8.573 1.188 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.521 -8.038 -0.024 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.528 -7.472 1.698 1.00 0.00 C ATOM 0 H ILE A 72 0.547 -8.437 3.931 1.00 0.00 H new ATOM 0 HA ILE A 72 1.645 -10.101 1.703 1.00 0.00 H new ATOM 0 HB ILE A 72 0.885 -7.149 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.807 -8.786 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.769 -9.496 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.986 -7.316 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.557 -7.719 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.494 -9.016 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.564 -7.790 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.323 -7.281 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.362 -6.560 1.125 1.00 0.00 H new ATOM 1110 N VAL A 73 3.998 -9.202 1.798 1.00 0.00 N ATOM 1111 CA VAL A 73 5.402 -8.745 2.004 1.00 0.00 C ATOM 1112 C VAL A 73 5.742 -7.685 0.946 1.00 0.00 C ATOM 1113 O VAL A 73 4.904 -7.291 0.160 1.00 0.00 O ATOM 1114 CB VAL A 73 6.354 -9.954 1.909 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.984 -10.054 0.513 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.462 -9.807 2.954 1.00 0.00 C ATOM 0 H VAL A 73 3.879 -9.956 1.121 1.00 0.00 H new ATOM 0 HA VAL A 73 5.516 -8.300 2.992 1.00 0.00 H new ATOM 0 HB VAL A 73 5.778 -10.861 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.651 -10.916 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.198 -10.170 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.551 -9.147 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.138 -10.660 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.019 -8.889 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.020 -9.768 3.950 1.00 0.00 H new ATOM 1126 N VAL A 74 6.962 -7.223 0.919 1.00 0.00 N ATOM 1127 CA VAL A 74 7.339 -6.194 -0.090 1.00 0.00 C ATOM 1128 C VAL A 74 8.847 -6.284 -0.356 1.00 0.00 C ATOM 1129 O VAL A 74 9.650 -6.204 0.551 1.00 0.00 O ATOM 1130 CB VAL A 74 6.950 -4.799 0.443 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.171 -4.063 1.013 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.342 -3.974 -0.693 1.00 0.00 C ATOM 0 H VAL A 74 7.711 -7.512 1.549 1.00 0.00 H new ATOM 0 HA VAL A 74 6.811 -6.365 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 74 6.223 -4.927 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.866 -3.083 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.595 -4.643 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.920 -3.940 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.066 -2.988 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.072 -3.867 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.454 -4.479 -1.074 1.00 0.00 H new ATOM 1142 N GLU A 75 9.240 -6.453 -1.590 1.00 0.00 N ATOM 1143 CA GLU A 75 10.696 -6.552 -1.891 1.00 0.00 C ATOM 1144 C GLU A 75 10.947 -6.259 -3.372 1.00 0.00 C ATOM 1145 O GLU A 75 10.181 -6.645 -4.233 1.00 0.00 O ATOM 1146 CB GLU A 75 11.187 -7.962 -1.559 1.00 0.00 C ATOM 1147 CG GLU A 75 10.502 -8.973 -2.481 1.00 0.00 C ATOM 1148 CD GLU A 75 10.170 -10.242 -1.692 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.050 -10.149 -0.482 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.045 -11.285 -2.313 1.00 0.00 O ATOM 0 H GLU A 75 8.620 -6.526 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 75 11.237 -5.822 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.269 -8.019 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.969 -8.198 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.591 -8.542 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.153 -9.214 -3.321 1.00 0.00 H new ATOM 1157 N ASP A 76 12.023 -5.585 -3.675 1.00 0.00 N ATOM 1158 CA ASP A 76 12.335 -5.272 -5.098 1.00 0.00 C ATOM 1159 C ASP A 76 11.234 -4.386 -5.683 1.00 0.00 C ATOM 1160 O ASP A 76 11.294 -3.185 -5.476 1.00 0.00 O ATOM 1161 CB ASP A 76 12.423 -6.572 -5.898 1.00 0.00 C ATOM 1162 CG ASP A 76 13.861 -7.094 -5.866 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.728 -6.418 -6.394 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.070 -8.161 -5.312 1.00 0.00 O ATOM 1165 OXT ASP A 76 10.349 -4.923 -6.329 1.00 0.00 O ATOM 0 H ASP A 76 12.701 -5.237 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 76 13.288 -4.746 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.745 -7.316 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.110 -6.400 -6.928 1.00 0.00 H new TER 1170 ASP A 76