USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 688 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+ 162:sc= -0.0223 (180deg=-0.235) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 6 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -148:sc= -9.82! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -47:sc= 0.239 USER MOD Single : A 34 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 37 SER OG : rot 136:sc= 0.904 USER MOD Single : A 39 CYS SG : rot 127:sc= -0.691 USER MOD Single : A 42 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.7!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.768 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0328) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 25:sc= 0.132 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 52 SER OG : rot -119:sc= 0.75 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.12) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -82:sc= 0.204 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -160:sc= -3.02! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.893 9.505 -0.261 1.00 5.02 N ATOM 2 CA MET A 1 -18.397 8.476 -1.208 1.00 4.66 C ATOM 3 C MET A 1 -18.125 8.878 -2.654 1.00 4.42 C ATOM 4 O MET A 1 -18.663 9.869 -3.146 1.00 4.63 O ATOM 5 CB MET A 1 -19.900 8.298 -0.981 1.00 4.39 C ATOM 6 CG MET A 1 -20.734 9.477 -1.456 1.00 4.63 C ATOM 7 SD MET A 1 -22.349 9.550 -0.659 1.00 5.44 S ATOM 8 CE MET A 1 -23.288 8.424 -1.688 1.00 5.68 C ATOM 0 H1 MET A 1 -18.344 9.373 0.667 1.00 5.02 H new ATOM 0 H2 MET A 1 -16.862 9.410 -0.162 1.00 5.02 H new ATOM 0 H3 MET A 1 -18.120 10.452 -0.625 1.00 5.02 H new ATOM 0 HA MET A 1 -17.877 7.536 -1.026 1.00 4.66 H new ATOM 0 HB2 MET A 1 -20.232 7.398 -1.498 1.00 4.39 H new ATOM 0 HB3 MET A 1 -20.082 8.141 0.082 1.00 4.39 H new ATOM 0 HG2 MET A 1 -20.193 10.403 -1.258 1.00 4.63 H new ATOM 0 HG3 MET A 1 -20.868 9.411 -2.536 1.00 4.63 H new ATOM 0 HE1 MET A 1 -24.312 8.363 -1.320 1.00 5.68 H new ATOM 0 HE2 MET A 1 -23.293 8.788 -2.715 1.00 5.68 H new ATOM 0 HE3 MET A 1 -22.831 7.435 -1.656 1.00 5.68 H new ATOM 20 N GLY A 2 -17.285 8.101 -3.330 1.00 4.11 N ATOM 21 CA GLY A 2 -16.954 8.392 -4.712 1.00 4.01 C ATOM 22 C GLY A 2 -15.489 8.739 -4.897 1.00 3.33 C ATOM 23 O GLY A 2 -15.110 9.348 -5.897 1.00 3.34 O ATOM 0 H GLY A 2 -16.828 7.275 -2.945 1.00 4.11 H new ATOM 0 HA2 GLY A 2 -17.201 7.529 -5.331 1.00 4.01 H new ATOM 0 HA3 GLY A 2 -17.568 9.222 -5.062 1.00 4.01 H new ATOM 27 N GLN A 3 -14.663 8.353 -3.928 1.00 2.87 N ATOM 28 CA GLN A 3 -13.228 8.631 -3.985 1.00 2.29 C ATOM 29 C GLN A 3 -12.426 7.463 -3.419 1.00 1.97 C ATOM 30 O GLN A 3 -12.920 6.703 -2.587 1.00 2.17 O ATOM 31 CB GLN A 3 -12.871 9.920 -3.224 1.00 2.41 C ATOM 32 CG GLN A 3 -14.051 10.610 -2.551 1.00 3.17 C ATOM 33 CD GLN A 3 -13.621 11.559 -1.449 1.00 3.60 C ATOM 34 OE1 GLN A 3 -12.516 12.099 -1.476 1.00 3.44 O ATOM 35 NE2 GLN A 3 -14.496 11.766 -0.472 1.00 4.47 N ATOM 0 H GLN A 3 -14.961 7.847 -3.094 1.00 2.87 H new ATOM 0 HA GLN A 3 -12.969 8.768 -5.035 1.00 2.29 H new ATOM 0 HB2 GLN A 3 -12.125 9.683 -2.465 1.00 2.41 H new ATOM 0 HB3 GLN A 3 -12.407 10.620 -3.919 1.00 2.41 H new ATOM 0 HG2 GLN A 3 -14.619 11.162 -3.300 1.00 3.17 H new ATOM 0 HG3 GLN A 3 -14.719 9.856 -2.136 1.00 3.17 H new ATOM 0 HE21 GLN A 3 -15.401 11.297 -0.490 1.00 4.47 H new ATOM 0 HE22 GLN A 3 -14.263 12.394 0.297 1.00 4.47 H new ATOM 44 N VAL A 4 -11.186 7.327 -3.881 1.00 1.57 N ATOM 45 CA VAL A 4 -10.310 6.253 -3.426 1.00 1.29 C ATOM 46 C VAL A 4 -9.077 6.802 -2.712 1.00 1.28 C ATOM 47 O VAL A 4 -8.563 7.864 -3.062 1.00 1.44 O ATOM 48 CB VAL A 4 -9.846 5.357 -4.595 1.00 1.17 C ATOM 49 CG1 VAL A 4 -11.036 4.727 -5.299 1.00 1.39 C ATOM 50 CG2 VAL A 4 -8.994 6.149 -5.573 1.00 1.57 C ATOM 0 H VAL A 4 -10.765 7.949 -4.571 1.00 1.57 H new ATOM 0 HA VAL A 4 -10.898 5.656 -2.729 1.00 1.29 H new ATOM 0 HB VAL A 4 -9.234 4.553 -4.186 1.00 1.17 H new ATOM 0 HG11 VAL A 4 -10.684 4.100 -6.119 1.00 1.39 H new ATOM 0 HG12 VAL A 4 -11.597 4.117 -4.591 1.00 1.39 H new ATOM 0 HG13 VAL A 4 -11.682 5.511 -5.693 1.00 1.39 H new ATOM 0 HG21 VAL A 4 -8.677 5.499 -6.389 1.00 1.57 H new ATOM 0 HG22 VAL A 4 -9.577 6.978 -5.975 1.00 1.57 H new ATOM 0 HG23 VAL A 4 -8.116 6.539 -5.058 1.00 1.57 H new ATOM 60 N VAL A 5 -8.600 6.056 -1.721 1.00 1.14 N ATOM 61 CA VAL A 5 -7.417 6.440 -0.962 1.00 1.22 C ATOM 62 C VAL A 5 -6.197 5.721 -1.521 1.00 1.03 C ATOM 63 O VAL A 5 -6.247 4.523 -1.801 1.00 0.92 O ATOM 64 CB VAL A 5 -7.561 6.087 0.533 1.00 1.29 C ATOM 65 CG1 VAL A 5 -8.762 6.797 1.139 1.00 1.79 C ATOM 66 CG2 VAL A 5 -7.674 4.578 0.720 1.00 1.70 C ATOM 0 H VAL A 5 -9.019 5.175 -1.424 1.00 1.14 H new ATOM 0 HA VAL A 5 -7.301 7.520 -1.053 1.00 1.22 H new ATOM 0 HB VAL A 5 -6.666 6.429 1.053 1.00 1.29 H new ATOM 0 HG11 VAL A 5 -8.846 6.535 2.194 1.00 1.79 H new ATOM 0 HG12 VAL A 5 -8.634 7.875 1.042 1.00 1.79 H new ATOM 0 HG13 VAL A 5 -9.668 6.491 0.616 1.00 1.79 H new ATOM 0 HG21 VAL A 5 -7.775 4.349 1.781 1.00 1.70 H new ATOM 0 HG22 VAL A 5 -8.549 4.210 0.185 1.00 1.70 H new ATOM 0 HG23 VAL A 5 -6.779 4.095 0.328 1.00 1.70 H new ATOM 76 N GLN A 6 -5.112 6.457 -1.715 1.00 1.03 N ATOM 77 CA GLN A 6 -3.906 5.882 -2.276 1.00 0.85 C ATOM 78 C GLN A 6 -2.829 5.656 -1.221 1.00 0.83 C ATOM 79 O GLN A 6 -2.648 6.465 -0.311 1.00 0.94 O ATOM 80 CB GLN A 6 -3.378 6.795 -3.376 1.00 0.83 C ATOM 81 CG GLN A 6 -4.057 6.580 -4.717 1.00 1.45 C ATOM 82 CD GLN A 6 -4.450 7.885 -5.385 1.00 1.81 C ATOM 83 OE1 GLN A 6 -3.965 8.216 -6.467 1.00 2.26 O ATOM 84 NE2 GLN A 6 -5.330 8.640 -4.736 1.00 2.01 N ATOM 0 H GLN A 6 -5.046 7.450 -1.492 1.00 1.03 H new ATOM 0 HA GLN A 6 -4.160 4.905 -2.688 1.00 0.85 H new ATOM 0 HB2 GLN A 6 -3.512 7.833 -3.072 1.00 0.83 H new ATOM 0 HB3 GLN A 6 -2.306 6.632 -3.490 1.00 0.83 H new ATOM 0 HG2 GLN A 6 -3.388 6.026 -5.375 1.00 1.45 H new ATOM 0 HG3 GLN A 6 -4.946 5.965 -4.576 1.00 1.45 H new ATOM 0 HE21 GLN A 6 -5.708 8.328 -3.841 1.00 2.01 H new ATOM 0 HE22 GLN A 6 -5.628 9.531 -5.133 1.00 2.01 H new ATOM 93 N PHE A 7 -2.102 4.552 -1.370 1.00 0.74 N ATOM 94 CA PHE A 7 -1.022 4.209 -0.457 1.00 0.78 C ATOM 95 C PHE A 7 0.312 4.614 -1.083 1.00 0.62 C ATOM 96 O PHE A 7 0.573 4.320 -2.252 1.00 0.55 O ATOM 97 CB PHE A 7 -1.057 2.703 -0.138 1.00 0.86 C ATOM 98 CG PHE A 7 0.254 2.133 0.335 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.742 2.430 1.597 1.00 0.98 C ATOM 100 CD2 PHE A 7 0.997 1.307 -0.491 1.00 1.14 C ATOM 101 CE1 PHE A 7 1.949 1.913 2.025 1.00 1.17 C ATOM 102 CE2 PHE A 7 2.203 0.787 -0.069 1.00 1.29 C ATOM 103 CZ PHE A 7 2.681 1.090 1.190 1.00 1.29 C ATOM 0 H PHE A 7 -2.245 3.877 -2.121 1.00 0.74 H new ATOM 0 HA PHE A 7 -1.144 4.749 0.482 1.00 0.78 H new ATOM 0 HB2 PHE A 7 -1.813 2.524 0.626 1.00 0.86 H new ATOM 0 HB3 PHE A 7 -1.372 2.163 -1.031 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.173 3.072 2.253 1.00 0.98 H new ATOM 0 HD2 PHE A 7 0.628 1.067 -1.477 1.00 1.14 H new ATOM 0 HE1 PHE A 7 2.320 2.151 3.011 1.00 1.17 H new ATOM 0 HE2 PHE A 7 2.773 0.143 -0.723 1.00 1.29 H new ATOM 0 HZ PHE A 7 3.625 0.685 1.522 1.00 1.29 H new ATOM 113 N LYS A 8 1.139 5.307 -0.306 1.00 0.60 N ATOM 114 CA LYS A 8 2.433 5.777 -0.789 1.00 0.54 C ATOM 115 C LYS A 8 3.578 5.306 0.109 1.00 0.68 C ATOM 116 O LYS A 8 3.548 5.497 1.324 1.00 0.77 O ATOM 117 CB LYS A 8 2.421 7.307 -0.865 1.00 0.61 C ATOM 118 CG LYS A 8 3.764 7.929 -1.221 1.00 1.40 C ATOM 119 CD LYS A 8 3.932 9.295 -0.570 1.00 2.22 C ATOM 120 CE LYS A 8 2.736 10.198 -0.839 1.00 1.88 C ATOM 121 NZ LYS A 8 2.977 11.594 -0.380 1.00 2.42 N ATOM 0 H LYS A 8 0.936 5.556 0.662 1.00 0.60 H new ATOM 0 HA LYS A 8 2.600 5.356 -1.781 1.00 0.54 H new ATOM 0 HB2 LYS A 8 1.683 7.616 -1.606 1.00 0.61 H new ATOM 0 HB3 LYS A 8 2.094 7.704 0.096 1.00 0.61 H new ATOM 0 HG2 LYS A 8 4.569 7.269 -0.899 1.00 1.40 H new ATOM 0 HG3 LYS A 8 3.846 8.027 -2.303 1.00 1.40 H new ATOM 0 HD2 LYS A 8 4.061 9.172 0.505 1.00 2.22 H new ATOM 0 HD3 LYS A 8 4.838 9.769 -0.947 1.00 2.22 H new ATOM 0 HE2 LYS A 8 2.516 10.200 -1.907 1.00 1.88 H new ATOM 0 HE3 LYS A 8 1.858 9.797 -0.334 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 2.139 12.175 -0.582 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 3.162 11.596 0.644 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 3.799 11.987 -0.881 1.00 2.42 H new ATOM 135 N LEU A 9 4.597 4.710 -0.509 1.00 0.86 N ATOM 136 CA LEU A 9 5.773 4.230 0.216 1.00 1.06 C ATOM 137 C LEU A 9 6.315 5.342 1.113 1.00 1.74 C ATOM 138 O LEU A 9 6.760 6.378 0.624 1.00 2.24 O ATOM 139 CB LEU A 9 6.840 3.776 -0.795 1.00 1.28 C ATOM 140 CG LEU A 9 8.092 3.081 -0.228 1.00 1.38 C ATOM 141 CD1 LEU A 9 8.839 3.986 0.739 1.00 1.75 C ATOM 142 CD2 LEU A 9 7.734 1.762 0.434 1.00 1.96 C ATOM 0 H LEU A 9 4.632 4.547 -1.515 1.00 0.86 H new ATOM 0 HA LEU A 9 5.501 3.383 0.846 1.00 1.06 H new ATOM 0 HB2 LEU A 9 6.367 3.096 -1.504 1.00 1.28 H new ATOM 0 HB3 LEU A 9 7.165 4.650 -1.360 1.00 1.28 H new ATOM 0 HG LEU A 9 8.756 2.869 -1.066 1.00 1.38 H new ATOM 0 HD11 LEU A 9 9.717 3.465 1.121 1.00 1.75 H new ATOM 0 HD12 LEU A 9 9.152 4.893 0.221 1.00 1.75 H new ATOM 0 HD13 LEU A 9 8.184 4.250 1.570 1.00 1.75 H new ATOM 0 HD21 LEU A 9 8.638 1.294 0.825 1.00 1.96 H new ATOM 0 HD22 LEU A 9 7.036 1.943 1.252 1.00 1.96 H new ATOM 0 HD23 LEU A 9 7.271 1.101 -0.299 1.00 1.96 H new ATOM 154 N SER A 10 6.265 5.131 2.426 1.00 2.11 N ATOM 155 CA SER A 10 6.746 6.134 3.372 1.00 2.83 C ATOM 156 C SER A 10 7.524 5.500 4.524 1.00 2.93 C ATOM 157 O SER A 10 7.759 6.143 5.546 1.00 3.26 O ATOM 158 CB SER A 10 5.571 6.942 3.925 1.00 3.76 C ATOM 159 OG SER A 10 5.768 8.331 3.728 1.00 4.49 O ATOM 0 H SER A 10 5.899 4.282 2.856 1.00 2.11 H new ATOM 0 HA SER A 10 7.424 6.795 2.833 1.00 2.83 H new ATOM 0 HB2 SER A 10 4.649 6.630 3.435 1.00 3.76 H new ATOM 0 HB3 SER A 10 5.453 6.736 4.989 1.00 3.76 H new ATOM 0 HG SER A 10 5.002 8.824 4.089 1.00 4.49 H new ATOM 165 N ASP A 11 7.922 4.243 4.358 1.00 3.22 N ATOM 166 CA ASP A 11 8.673 3.541 5.393 1.00 3.68 C ATOM 167 C ASP A 11 10.036 4.189 5.623 1.00 3.44 C ATOM 168 O ASP A 11 10.657 3.991 6.667 1.00 4.01 O ATOM 169 CB ASP A 11 8.862 2.072 5.012 1.00 4.18 C ATOM 170 CG ASP A 11 7.558 1.394 4.638 1.00 4.90 C ATOM 171 OD1 ASP A 11 6.737 1.144 5.545 1.00 5.41 O ATOM 172 OD2 ASP A 11 7.359 1.112 3.438 1.00 5.24 O ATOM 0 H ASP A 11 7.738 3.691 3.520 1.00 3.22 H new ATOM 0 HA ASP A 11 8.099 3.604 6.318 1.00 3.68 H new ATOM 0 HB2 ASP A 11 9.556 2.004 4.174 1.00 4.18 H new ATOM 0 HB3 ASP A 11 9.318 1.540 5.847 1.00 4.18 H new ATOM 177 N ILE A 12 10.505 4.954 4.639 1.00 2.82 N ATOM 178 CA ILE A 12 11.805 5.613 4.741 1.00 2.70 C ATOM 179 C ILE A 12 11.706 7.101 4.418 1.00 2.96 C ATOM 180 O ILE A 12 10.619 7.626 4.181 1.00 3.29 O ATOM 181 CB ILE A 12 12.857 4.966 3.808 1.00 2.58 C ATOM 182 CG1 ILE A 12 12.194 4.319 2.584 1.00 1.94 C ATOM 183 CG2 ILE A 12 13.678 3.941 4.574 1.00 3.25 C ATOM 184 CD1 ILE A 12 11.460 3.031 2.896 1.00 1.97 C ATOM 0 H ILE A 12 10.007 5.132 3.767 1.00 2.82 H new ATOM 0 HA ILE A 12 12.127 5.489 5.775 1.00 2.70 H new ATOM 0 HB ILE A 12 13.521 5.753 3.449 1.00 2.58 H new ATOM 0 HG12 ILE A 12 11.493 5.029 2.145 1.00 1.94 H new ATOM 0 HG13 ILE A 12 12.958 4.118 1.832 1.00 1.94 H new ATOM 0 HG21 ILE A 12 14.414 3.493 3.907 1.00 3.25 H new ATOM 0 HG22 ILE A 12 14.189 4.430 5.403 1.00 3.25 H new ATOM 0 HG23 ILE A 12 13.020 3.164 4.962 1.00 3.25 H new ATOM 0 HD11 ILE A 12 11.018 2.634 1.982 1.00 1.97 H new ATOM 0 HD12 ILE A 12 12.160 2.304 3.307 1.00 1.97 H new ATOM 0 HD13 ILE A 12 10.673 3.228 3.624 1.00 1.97 H new ATOM 196 N GLY A 13 12.855 7.773 4.416 1.00 3.15 N ATOM 197 CA GLY A 13 12.890 9.195 4.127 1.00 3.67 C ATOM 198 C GLY A 13 12.637 9.501 2.664 1.00 3.84 C ATOM 199 O GLY A 13 12.577 8.594 1.833 1.00 3.63 O ATOM 0 H GLY A 13 13.765 7.355 4.610 1.00 3.15 H new ATOM 0 HA2 GLY A 13 12.142 9.704 4.735 1.00 3.67 H new ATOM 0 HA3 GLY A 13 13.862 9.596 4.415 1.00 3.67 H new ATOM 203 N GLU A 14 12.482 10.784 2.351 1.00 4.49 N ATOM 204 CA GLU A 14 12.226 11.216 0.980 1.00 4.81 C ATOM 205 C GLU A 14 13.526 11.509 0.232 1.00 4.15 C ATOM 206 O GLU A 14 13.533 12.268 -0.738 1.00 4.04 O ATOM 207 CB GLU A 14 11.338 12.459 0.979 1.00 5.76 C ATOM 208 CG GLU A 14 10.276 12.443 -0.106 1.00 6.16 C ATOM 209 CD GLU A 14 8.974 13.079 0.343 1.00 7.04 C ATOM 210 OE1 GLU A 14 8.159 12.378 0.979 1.00 7.20 O ATOM 211 OE2 GLU A 14 8.771 14.277 0.058 1.00 7.72 O ATOM 0 H GLU A 14 12.529 11.544 3.029 1.00 4.49 H new ATOM 0 HA GLU A 14 11.716 10.402 0.465 1.00 4.81 H new ATOM 0 HB2 GLU A 14 10.852 12.550 1.951 1.00 5.76 H new ATOM 0 HB3 GLU A 14 11.963 13.343 0.851 1.00 5.76 H new ATOM 0 HG2 GLU A 14 10.650 12.971 -0.983 1.00 6.16 H new ATOM 0 HG3 GLU A 14 10.087 11.413 -0.410 1.00 6.16 H new ATOM 218 N GLY A 15 14.622 10.908 0.681 1.00 3.81 N ATOM 219 CA GLY A 15 15.903 11.124 0.034 1.00 3.32 C ATOM 220 C GLY A 15 16.930 10.082 0.429 1.00 2.93 C ATOM 221 O GLY A 15 18.132 10.348 0.415 1.00 3.13 O ATOM 0 H GLY A 15 14.647 10.275 1.481 1.00 3.81 H new ATOM 0 HA2 GLY A 15 15.769 11.107 -1.048 1.00 3.32 H new ATOM 0 HA3 GLY A 15 16.276 12.115 0.293 1.00 3.32 H new ATOM 225 N ILE A 16 16.455 8.895 0.789 1.00 2.53 N ATOM 226 CA ILE A 16 17.336 7.811 1.197 1.00 2.22 C ATOM 227 C ILE A 16 16.974 6.510 0.483 1.00 1.91 C ATOM 228 O ILE A 16 16.185 6.510 -0.463 1.00 1.88 O ATOM 229 CB ILE A 16 17.270 7.595 2.721 1.00 2.22 C ATOM 230 CG1 ILE A 16 15.896 7.053 3.125 1.00 2.32 C ATOM 231 CG2 ILE A 16 17.567 8.897 3.450 1.00 2.54 C ATOM 232 CD1 ILE A 16 15.957 5.696 3.792 1.00 2.22 C ATOM 0 H ILE A 16 15.463 8.660 0.806 1.00 2.53 H new ATOM 0 HA ILE A 16 18.351 8.094 0.920 1.00 2.22 H new ATOM 0 HB ILE A 16 18.024 6.860 3.003 1.00 2.22 H new ATOM 0 HG12 ILE A 16 15.419 7.761 3.802 1.00 2.32 H new ATOM 0 HG13 ILE A 16 15.265 6.986 2.239 1.00 2.32 H new ATOM 0 HG21 ILE A 16 17.517 8.731 4.526 1.00 2.54 H new ATOM 0 HG22 ILE A 16 18.565 9.244 3.182 1.00 2.54 H new ATOM 0 HG23 ILE A 16 16.832 9.650 3.165 1.00 2.54 H new ATOM 0 HD11 ILE A 16 14.949 5.373 4.052 1.00 2.22 H new ATOM 0 HD12 ILE A 16 16.405 4.975 3.109 1.00 2.22 H new ATOM 0 HD13 ILE A 16 16.561 5.762 4.697 1.00 2.22 H new ATOM 244 N ARG A 17 17.551 5.404 0.943 1.00 1.82 N ATOM 245 CA ARG A 17 17.286 4.101 0.349 1.00 1.64 C ATOM 246 C ARG A 17 15.786 3.826 0.284 1.00 1.22 C ATOM 247 O ARG A 17 15.023 4.279 1.137 1.00 1.14 O ATOM 248 CB ARG A 17 17.990 2.998 1.147 1.00 1.77 C ATOM 249 CG ARG A 17 17.323 2.678 2.476 1.00 2.27 C ATOM 250 CD ARG A 17 18.287 1.998 3.434 1.00 2.75 C ATOM 251 NE ARG A 17 17.665 0.876 4.133 1.00 3.16 N ATOM 252 CZ ARG A 17 17.391 -0.290 3.558 1.00 3.76 C ATOM 253 NH1 ARG A 17 17.676 -0.484 2.277 1.00 4.04 N ATOM 254 NH2 ARG A 17 16.829 -1.263 4.262 1.00 4.40 N ATOM 0 H ARG A 17 18.205 5.386 1.725 1.00 1.82 H new ATOM 0 HA ARG A 17 17.678 4.107 -0.668 1.00 1.64 H new ATOM 0 HB2 ARG A 17 18.026 2.092 0.542 1.00 1.77 H new ATOM 0 HB3 ARG A 17 19.021 3.299 1.332 1.00 1.77 H new ATOM 0 HG2 ARG A 17 16.948 3.597 2.927 1.00 2.27 H new ATOM 0 HG3 ARG A 17 16.462 2.032 2.306 1.00 2.27 H new ATOM 0 HD2 ARG A 17 19.157 1.643 2.882 1.00 2.75 H new ATOM 0 HD3 ARG A 17 18.647 2.724 4.163 1.00 2.75 H new ATOM 0 HE ARG A 17 17.428 0.994 5.118 1.00 3.16 H new ATOM 0 HH11 ARG A 17 18.106 0.263 1.732 1.00 4.04 H new ATOM 0 HH12 ARG A 17 17.465 -1.380 1.838 1.00 4.04 H new ATOM 0 HH21 ARG A 17 16.606 -1.117 5.247 1.00 4.40 H new ATOM 0 HH22 ARG A 17 16.619 -2.157 3.819 1.00 4.40 H new ATOM 268 N GLU A 18 15.373 3.081 -0.735 1.00 1.16 N ATOM 269 CA GLU A 18 13.968 2.741 -0.921 1.00 0.91 C ATOM 270 C GLU A 18 13.693 1.318 -0.438 1.00 0.63 C ATOM 271 O GLU A 18 14.620 0.600 -0.065 1.00 0.66 O ATOM 272 CB GLU A 18 13.587 2.904 -2.389 1.00 1.29 C ATOM 273 CG GLU A 18 13.641 4.348 -2.864 1.00 1.64 C ATOM 274 CD GLU A 18 14.610 4.552 -4.013 1.00 1.83 C ATOM 275 OE1 GLU A 18 15.828 4.645 -3.753 1.00 2.17 O ATOM 276 OE2 GLU A 18 14.150 4.621 -5.173 1.00 2.11 O ATOM 0 H GLU A 18 15.995 2.700 -1.448 1.00 1.16 H new ATOM 0 HA GLU A 18 13.356 3.419 -0.326 1.00 0.91 H new ATOM 0 HB2 GLU A 18 14.258 2.301 -3.001 1.00 1.29 H new ATOM 0 HB3 GLU A 18 12.580 2.515 -2.542 1.00 1.29 H new ATOM 0 HG2 GLU A 18 12.644 4.661 -3.175 1.00 1.64 H new ATOM 0 HG3 GLU A 18 13.931 4.989 -2.032 1.00 1.64 H new ATOM 283 N VAL A 19 12.422 0.912 -0.423 1.00 0.63 N ATOM 284 CA VAL A 19 12.078 -0.432 0.049 1.00 0.57 C ATOM 285 C VAL A 19 11.105 -1.151 -0.881 1.00 0.41 C ATOM 286 O VAL A 19 10.254 -0.530 -1.516 1.00 0.47 O ATOM 287 CB VAL A 19 11.478 -0.396 1.467 1.00 0.93 C ATOM 288 CG1 VAL A 19 10.134 0.312 1.465 1.00 1.51 C ATOM 289 CG2 VAL A 19 11.345 -1.806 2.022 1.00 1.16 C ATOM 0 H VAL A 19 11.630 1.479 -0.725 1.00 0.63 H new ATOM 0 HA VAL A 19 13.016 -0.987 0.062 1.00 0.57 H new ATOM 0 HB VAL A 19 12.153 0.165 2.113 1.00 0.93 H new ATOM 0 HG11 VAL A 19 9.729 0.326 2.477 1.00 1.51 H new ATOM 0 HG12 VAL A 19 10.262 1.335 1.111 1.00 1.51 H new ATOM 0 HG13 VAL A 19 9.446 -0.216 0.805 1.00 1.51 H new ATOM 0 HG21 VAL A 19 10.920 -1.764 3.025 1.00 1.16 H new ATOM 0 HG22 VAL A 19 10.692 -2.392 1.375 1.00 1.16 H new ATOM 0 HG23 VAL A 19 12.328 -2.275 2.065 1.00 1.16 H new ATOM 299 N THR A 20 11.239 -2.476 -0.942 1.00 0.37 N ATOM 300 CA THR A 20 10.380 -3.303 -1.781 1.00 0.30 C ATOM 301 C THR A 20 9.310 -3.990 -0.945 1.00 0.33 C ATOM 302 O THR A 20 9.393 -4.043 0.282 1.00 0.65 O ATOM 303 CB THR A 20 11.223 -4.341 -2.589 1.00 0.43 C ATOM 304 OG1 THR A 20 11.483 -3.827 -3.889 1.00 0.69 O ATOM 305 CG2 THR A 20 10.552 -5.704 -2.754 1.00 0.54 C ATOM 0 H THR A 20 11.939 -2.999 -0.416 1.00 0.37 H new ATOM 0 HA THR A 20 9.877 -2.655 -2.499 1.00 0.30 H new ATOM 0 HB THR A 20 12.134 -4.494 -2.011 1.00 0.43 H new ATOM 0 HG1 THR A 20 11.537 -4.567 -4.529 1.00 0.69 H new ATOM 0 HG21 THR A 20 11.204 -6.364 -3.326 1.00 0.54 H new ATOM 0 HG22 THR A 20 10.367 -6.139 -1.772 1.00 0.54 H new ATOM 0 HG23 THR A 20 9.606 -5.582 -3.282 1.00 0.54 H new ATOM 313 N VAL A 21 8.309 -4.516 -1.632 1.00 0.28 N ATOM 314 CA VAL A 21 7.215 -5.208 -0.966 1.00 0.25 C ATOM 315 C VAL A 21 7.619 -6.629 -0.589 1.00 0.29 C ATOM 316 O VAL A 21 8.258 -7.332 -1.371 1.00 0.33 O ATOM 317 CB VAL A 21 5.957 -5.255 -1.850 1.00 0.29 C ATOM 318 CG1 VAL A 21 4.814 -5.936 -1.114 1.00 1.39 C ATOM 319 CG2 VAL A 21 5.564 -3.852 -2.285 1.00 1.21 C ATOM 0 H VAL A 21 8.230 -4.478 -2.648 1.00 0.28 H new ATOM 0 HA VAL A 21 6.986 -4.646 -0.061 1.00 0.25 H new ATOM 0 HB VAL A 21 6.179 -5.839 -2.743 1.00 0.29 H new ATOM 0 HG11 VAL A 21 3.932 -5.960 -1.754 1.00 1.39 H new ATOM 0 HG12 VAL A 21 5.103 -6.955 -0.856 1.00 1.39 H new ATOM 0 HG13 VAL A 21 4.586 -5.382 -0.204 1.00 1.39 H new ATOM 0 HG21 VAL A 21 4.672 -3.901 -2.910 1.00 1.21 H new ATOM 0 HG22 VAL A 21 5.357 -3.243 -1.405 1.00 1.21 H new ATOM 0 HG23 VAL A 21 6.380 -3.405 -2.852 1.00 1.21 H new ATOM 329 N LYS A 22 7.254 -7.043 0.619 1.00 0.36 N ATOM 330 CA LYS A 22 7.588 -8.377 1.099 1.00 0.46 C ATOM 331 C LYS A 22 6.360 -9.282 1.105 1.00 0.52 C ATOM 332 O LYS A 22 6.479 -10.503 1.005 1.00 0.66 O ATOM 333 CB LYS A 22 8.188 -8.300 2.504 1.00 0.52 C ATOM 334 CG LYS A 22 9.337 -9.270 2.730 1.00 0.78 C ATOM 335 CD LYS A 22 9.065 -10.191 3.908 1.00 1.48 C ATOM 336 CE LYS A 22 9.296 -11.649 3.540 1.00 2.16 C ATOM 337 NZ LYS A 22 10.746 -11.971 3.431 1.00 2.95 N ATOM 0 H LYS A 22 6.728 -6.474 1.282 1.00 0.36 H new ATOM 0 HA LYS A 22 8.325 -8.805 0.419 1.00 0.46 H new ATOM 0 HB2 LYS A 22 8.540 -7.284 2.684 1.00 0.52 H new ATOM 0 HB3 LYS A 22 7.405 -8.500 3.236 1.00 0.52 H new ATOM 0 HG2 LYS A 22 9.494 -9.865 1.830 1.00 0.78 H new ATOM 0 HG3 LYS A 22 10.256 -8.712 2.908 1.00 0.78 H new ATOM 0 HD2 LYS A 22 9.712 -9.918 4.742 1.00 1.48 H new ATOM 0 HD3 LYS A 22 8.037 -10.058 4.245 1.00 1.48 H new ATOM 0 HE2 LYS A 22 8.837 -12.290 4.292 1.00 2.16 H new ATOM 0 HE3 LYS A 22 8.803 -11.867 2.592 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 10.861 -12.973 3.179 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 11.179 -11.377 2.695 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 11.212 -11.788 4.343 1.00 2.95 H new ATOM 351 N GLU A 23 5.181 -8.679 1.223 1.00 0.46 N ATOM 352 CA GLU A 23 3.936 -9.439 1.241 1.00 0.56 C ATOM 353 C GLU A 23 2.839 -8.730 0.448 1.00 0.42 C ATOM 354 O GLU A 23 2.468 -7.598 0.755 1.00 0.42 O ATOM 355 CB GLU A 23 3.475 -9.667 2.683 1.00 0.73 C ATOM 356 CG GLU A 23 3.265 -11.132 3.030 1.00 1.09 C ATOM 357 CD GLU A 23 4.334 -11.669 3.962 1.00 1.33 C ATOM 358 OE1 GLU A 23 4.591 -11.028 5.002 1.00 1.63 O ATOM 359 OE2 GLU A 23 4.914 -12.731 3.651 1.00 2.13 O ATOM 0 H GLU A 23 5.062 -7.670 1.307 1.00 0.46 H new ATOM 0 HA GLU A 23 4.127 -10.402 0.768 1.00 0.56 H new ATOM 0 HB2 GLU A 23 4.214 -9.243 3.363 1.00 0.73 H new ATOM 0 HB3 GLU A 23 2.543 -9.126 2.848 1.00 0.73 H new ATOM 0 HG2 GLU A 23 2.287 -11.255 3.496 1.00 1.09 H new ATOM 0 HG3 GLU A 23 3.258 -11.721 2.113 1.00 1.09 H new ATOM 366 N TRP A 24 2.321 -9.413 -0.569 1.00 0.35 N ATOM 367 CA TRP A 24 1.259 -8.864 -1.408 1.00 0.26 C ATOM 368 C TRP A 24 0.045 -9.788 -1.392 1.00 0.24 C ATOM 369 O TRP A 24 0.154 -10.969 -1.719 1.00 0.33 O ATOM 370 CB TRP A 24 1.754 -8.684 -2.845 1.00 0.37 C ATOM 371 CG TRP A 24 2.217 -7.293 -3.156 1.00 0.43 C ATOM 372 CD1 TRP A 24 3.478 -6.918 -3.515 1.00 0.75 C ATOM 373 CD2 TRP A 24 1.431 -6.095 -3.138 1.00 0.36 C ATOM 374 NE1 TRP A 24 3.525 -5.562 -3.727 1.00 0.74 N ATOM 375 CE2 TRP A 24 2.282 -5.033 -3.501 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.090 -5.815 -2.855 1.00 0.61 C ATOM 377 CZ2 TRP A 24 1.837 -3.716 -3.585 1.00 0.52 C ATOM 378 CZ3 TRP A 24 -0.349 -4.507 -2.939 1.00 0.83 C ATOM 379 CH2 TRP A 24 0.522 -3.472 -3.302 1.00 0.70 C ATOM 0 H TRP A 24 2.621 -10.352 -0.833 1.00 0.35 H new ATOM 0 HA TRP A 24 0.972 -7.891 -1.009 1.00 0.26 H new ATOM 0 HB2 TRP A 24 2.574 -9.379 -3.027 1.00 0.37 H new ATOM 0 HB3 TRP A 24 0.951 -8.952 -3.532 1.00 0.37 H new ATOM 0 HD1 TRP A 24 4.317 -7.590 -3.618 1.00 0.75 H new ATOM 0 HE1 TRP A 24 4.352 -5.034 -4.007 1.00 0.74 H new ATOM 0 HE3 TRP A 24 -0.590 -6.606 -2.576 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 2.507 -2.916 -3.864 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 -1.382 -4.279 -2.721 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.147 -2.461 -3.359 1.00 0.70 H new ATOM 390 N TYR A 25 -1.109 -9.253 -1.002 1.00 0.20 N ATOM 391 CA TYR A 25 -2.327 -10.054 -0.943 1.00 0.31 C ATOM 392 C TYR A 25 -3.487 -9.360 -1.653 1.00 0.27 C ATOM 393 O TYR A 25 -4.625 -9.395 -1.183 1.00 0.36 O ATOM 394 CB TYR A 25 -2.696 -10.341 0.514 1.00 0.42 C ATOM 395 CG TYR A 25 -2.307 -11.729 0.973 1.00 0.70 C ATOM 396 CD1 TYR A 25 -1.005 -12.013 1.367 1.00 1.07 C ATOM 397 CD2 TYR A 25 -3.242 -12.757 1.012 1.00 1.16 C ATOM 398 CE1 TYR A 25 -0.646 -13.280 1.785 1.00 1.34 C ATOM 399 CE2 TYR A 25 -2.890 -14.027 1.429 1.00 1.44 C ATOM 400 CZ TYR A 25 -1.591 -14.283 1.815 1.00 1.36 C ATOM 401 OH TYR A 25 -1.237 -15.546 2.231 1.00 1.72 O ATOM 0 H TYR A 25 -1.226 -8.278 -0.725 1.00 0.20 H new ATOM 0 HA TYR A 25 -2.135 -10.995 -1.458 1.00 0.31 H new ATOM 0 HB2 TYR A 25 -2.210 -9.605 1.155 1.00 0.42 H new ATOM 0 HB3 TYR A 25 -3.771 -10.213 0.640 1.00 0.42 H new ATOM 0 HD1 TYR A 25 -0.261 -11.230 1.346 1.00 1.07 H new ATOM 0 HD2 TYR A 25 -4.260 -12.560 0.711 1.00 1.16 H new ATOM 0 HE1 TYR A 25 0.371 -13.484 2.087 1.00 1.34 H new ATOM 0 HE2 TYR A 25 -3.628 -14.815 1.452 1.00 1.44 H new ATOM 0 HH TYR A 25 -2.020 -16.134 2.194 1.00 1.72 H new ATOM 411 N VAL A 26 -3.194 -8.733 -2.788 1.00 0.22 N ATOM 412 CA VAL A 26 -4.217 -8.036 -3.559 1.00 0.22 C ATOM 413 C VAL A 26 -3.805 -7.906 -5.026 1.00 0.22 C ATOM 414 O VAL A 26 -2.656 -8.168 -5.381 1.00 0.31 O ATOM 415 CB VAL A 26 -4.497 -6.635 -2.972 1.00 0.28 C ATOM 416 CG1 VAL A 26 -4.782 -6.733 -1.484 1.00 0.50 C ATOM 417 CG2 VAL A 26 -3.328 -5.691 -3.232 1.00 0.40 C ATOM 0 H VAL A 26 -2.259 -8.693 -3.193 1.00 0.22 H new ATOM 0 HA VAL A 26 -5.129 -8.630 -3.501 1.00 0.22 H new ATOM 0 HB VAL A 26 -5.377 -6.227 -3.469 1.00 0.28 H new ATOM 0 HG11 VAL A 26 -4.977 -5.738 -1.085 1.00 0.50 H new ATOM 0 HG12 VAL A 26 -5.654 -7.367 -1.321 1.00 0.50 H new ATOM 0 HG13 VAL A 26 -3.920 -7.165 -0.976 1.00 0.50 H new ATOM 0 HG21 VAL A 26 -3.550 -4.711 -2.809 1.00 0.40 H new ATOM 0 HG22 VAL A 26 -2.427 -6.091 -2.767 1.00 0.40 H new ATOM 0 HG23 VAL A 26 -3.170 -5.595 -4.306 1.00 0.40 H new ATOM 427 N LYS A 27 -4.748 -7.501 -5.872 1.00 0.24 N ATOM 428 CA LYS A 27 -4.474 -7.339 -7.296 1.00 0.26 C ATOM 429 C LYS A 27 -5.317 -6.218 -7.891 1.00 0.29 C ATOM 430 O LYS A 27 -6.351 -5.842 -7.337 1.00 0.42 O ATOM 431 CB LYS A 27 -4.742 -8.647 -8.045 1.00 0.38 C ATOM 432 CG LYS A 27 -3.604 -9.650 -7.943 1.00 0.61 C ATOM 433 CD LYS A 27 -3.019 -9.969 -9.310 1.00 0.99 C ATOM 434 CE LYS A 27 -1.513 -10.161 -9.237 1.00 1.52 C ATOM 435 NZ LYS A 27 -1.139 -11.600 -9.151 1.00 1.89 N ATOM 0 H LYS A 27 -5.705 -7.280 -5.597 1.00 0.24 H new ATOM 0 HA LYS A 27 -3.422 -7.075 -7.406 1.00 0.26 H new ATOM 0 HB2 LYS A 27 -5.652 -9.101 -7.652 1.00 0.38 H new ATOM 0 HB3 LYS A 27 -4.925 -8.423 -9.096 1.00 0.38 H new ATOM 0 HG2 LYS A 27 -2.823 -9.251 -7.296 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -3.966 -10.567 -7.478 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -3.484 -10.872 -9.705 1.00 0.99 H new ATOM 0 HD3 LYS A 27 -3.251 -9.162 -10.004 1.00 0.99 H new ATOM 0 HE2 LYS A 27 -1.048 -9.717 -10.117 1.00 1.52 H new ATOM 0 HE3 LYS A 27 -1.121 -9.632 -8.368 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.104 -11.687 -9.103 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 -1.562 -12.018 -8.298 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 -1.490 -12.101 -9.992 1.00 1.89 H new ATOM 449 N GLU A 28 -4.871 -5.688 -9.026 1.00 0.30 N ATOM 450 CA GLU A 28 -5.590 -4.611 -9.700 1.00 0.34 C ATOM 451 C GLU A 28 -7.048 -5.000 -9.905 1.00 0.38 C ATOM 452 O GLU A 28 -7.345 -6.124 -10.312 1.00 0.42 O ATOM 453 CB GLU A 28 -4.940 -4.289 -11.049 1.00 0.42 C ATOM 454 CG GLU A 28 -3.420 -4.338 -11.029 1.00 0.35 C ATOM 455 CD GLU A 28 -2.797 -3.609 -12.204 1.00 1.10 C ATOM 456 OE1 GLU A 28 -3.268 -2.500 -12.532 1.00 1.23 O ATOM 457 OE2 GLU A 28 -1.837 -4.147 -12.795 1.00 2.03 O ATOM 0 H GLU A 28 -4.017 -5.986 -9.498 1.00 0.30 H new ATOM 0 HA GLU A 28 -5.544 -3.722 -9.071 1.00 0.34 H new ATOM 0 HB2 GLU A 28 -5.307 -4.994 -11.795 1.00 0.42 H new ATOM 0 HB3 GLU A 28 -5.257 -3.296 -11.366 1.00 0.42 H new ATOM 0 HG2 GLU A 28 -3.058 -3.898 -10.100 1.00 0.35 H new ATOM 0 HG3 GLU A 28 -3.094 -5.378 -11.037 1.00 0.35 H new ATOM 464 N GLY A 29 -7.958 -4.077 -9.608 1.00 0.39 N ATOM 465 CA GLY A 29 -9.370 -4.373 -9.758 1.00 0.45 C ATOM 466 C GLY A 29 -9.881 -5.325 -8.686 1.00 0.40 C ATOM 467 O GLY A 29 -11.037 -5.746 -8.724 1.00 0.44 O ATOM 0 H GLY A 29 -7.745 -3.139 -9.269 1.00 0.39 H new ATOM 0 HA2 GLY A 29 -9.939 -3.444 -9.717 1.00 0.45 H new ATOM 0 HA3 GLY A 29 -9.544 -4.810 -10.741 1.00 0.45 H new ATOM 471 N ASP A 30 -9.010 -5.682 -7.740 1.00 0.34 N ATOM 472 CA ASP A 30 -9.369 -6.606 -6.671 1.00 0.31 C ATOM 473 C ASP A 30 -9.799 -5.862 -5.415 1.00 0.25 C ATOM 474 O ASP A 30 -9.394 -4.722 -5.185 1.00 0.24 O ATOM 475 CB ASP A 30 -8.186 -7.520 -6.344 1.00 0.31 C ATOM 476 CG ASP A 30 -8.626 -8.891 -5.868 1.00 0.91 C ATOM 477 OD1 ASP A 30 -9.847 -9.103 -5.716 1.00 1.27 O ATOM 478 OD2 ASP A 30 -7.748 -9.752 -5.647 1.00 1.36 O ATOM 0 H ASP A 30 -8.049 -5.342 -7.696 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.210 -7.206 -7.020 1.00 0.31 H new ATOM 0 HB2 ASP A 30 -7.560 -7.630 -7.230 1.00 0.31 H new ATOM 0 HB3 ASP A 30 -7.571 -7.052 -5.575 1.00 0.31 H new ATOM 483 N THR A 31 -10.619 -6.518 -4.603 1.00 0.23 N ATOM 484 CA THR A 31 -11.100 -5.923 -3.367 1.00 0.18 C ATOM 485 C THR A 31 -10.322 -6.443 -2.164 1.00 0.18 C ATOM 486 O THR A 31 -9.878 -7.591 -2.141 1.00 0.30 O ATOM 487 CB THR A 31 -12.599 -6.198 -3.149 1.00 0.19 C ATOM 488 OG1 THR A 31 -13.324 -5.972 -4.365 1.00 0.31 O ATOM 489 CG2 THR A 31 -13.149 -5.303 -2.050 1.00 0.30 C ATOM 0 H THR A 31 -10.963 -7.462 -4.780 1.00 0.23 H new ATOM 0 HA THR A 31 -10.947 -4.848 -3.460 1.00 0.18 H new ATOM 0 HB THR A 31 -12.719 -7.239 -2.849 1.00 0.19 H new ATOM 0 HG1 THR A 31 -14.276 -6.151 -4.216 1.00 0.31 H new ATOM 0 HG21 THR A 31 -14.210 -5.510 -1.909 1.00 0.30 H new ATOM 0 HG22 THR A 31 -12.614 -5.498 -1.120 1.00 0.30 H new ATOM 0 HG23 THR A 31 -13.018 -4.258 -2.332 1.00 0.30 H new ATOM 497 N VAL A 32 -10.168 -5.583 -1.166 1.00 0.14 N ATOM 498 CA VAL A 32 -9.454 -5.924 0.058 1.00 0.14 C ATOM 499 C VAL A 32 -10.435 -6.124 1.207 1.00 0.14 C ATOM 500 O VAL A 32 -11.602 -5.748 1.106 1.00 0.18 O ATOM 501 CB VAL A 32 -8.426 -4.836 0.466 1.00 0.20 C ATOM 502 CG1 VAL A 32 -7.013 -5.343 0.265 1.00 0.28 C ATOM 503 CG2 VAL A 32 -8.635 -3.532 -0.298 1.00 0.18 C ATOM 0 H VAL A 32 -10.534 -4.631 -1.182 1.00 0.14 H new ATOM 0 HA VAL A 32 -8.913 -6.848 -0.146 1.00 0.14 H new ATOM 0 HB VAL A 32 -8.583 -4.622 1.523 1.00 0.20 H new ATOM 0 HG11 VAL A 32 -6.304 -4.568 0.556 1.00 0.28 H new ATOM 0 HG12 VAL A 32 -6.854 -6.230 0.879 1.00 0.28 H new ATOM 0 HG13 VAL A 32 -6.863 -5.597 -0.784 1.00 0.28 H new ATOM 0 HG21 VAL A 32 -7.893 -2.800 0.021 1.00 0.18 H new ATOM 0 HG22 VAL A 32 -8.528 -3.715 -1.367 1.00 0.18 H new ATOM 0 HG23 VAL A 32 -9.634 -3.147 -0.094 1.00 0.18 H new ATOM 513 N SER A 33 -9.952 -6.714 2.298 1.00 0.23 N ATOM 514 CA SER A 33 -10.785 -6.963 3.470 1.00 0.31 C ATOM 515 C SER A 33 -10.074 -6.523 4.747 1.00 0.33 C ATOM 516 O SER A 33 -8.923 -6.089 4.710 1.00 0.35 O ATOM 517 CB SER A 33 -11.141 -8.448 3.561 1.00 0.38 C ATOM 518 OG SER A 33 -12.371 -8.718 2.912 1.00 1.42 O ATOM 0 H SER A 33 -8.986 -7.029 2.394 1.00 0.23 H new ATOM 0 HA SER A 33 -11.700 -6.380 3.364 1.00 0.31 H new ATOM 0 HB2 SER A 33 -10.349 -9.044 3.108 1.00 0.38 H new ATOM 0 HB3 SER A 33 -11.205 -8.746 4.607 1.00 0.38 H new ATOM 0 HG SER A 33 -13.039 -8.056 3.187 1.00 1.42 H new ATOM 524 N GLN A 34 -10.768 -6.637 5.875 1.00 0.37 N ATOM 525 CA GLN A 34 -10.203 -6.250 7.163 1.00 0.41 C ATOM 526 C GLN A 34 -9.027 -7.147 7.535 1.00 0.43 C ATOM 527 O GLN A 34 -8.113 -6.725 8.244 1.00 0.52 O ATOM 528 CB GLN A 34 -11.274 -6.316 8.253 1.00 0.44 C ATOM 529 CG GLN A 34 -12.361 -5.264 8.101 1.00 0.76 C ATOM 530 CD GLN A 34 -13.738 -5.793 8.452 1.00 1.54 C ATOM 531 OE1 GLN A 34 -14.210 -5.630 9.577 1.00 2.38 O ATOM 532 NE2 GLN A 34 -14.390 -6.432 7.487 1.00 1.72 N ATOM 0 H GLN A 34 -11.722 -6.994 5.923 1.00 0.37 H new ATOM 0 HA GLN A 34 -9.841 -5.225 7.079 1.00 0.41 H new ATOM 0 HB2 GLN A 34 -11.732 -7.305 8.241 1.00 0.44 H new ATOM 0 HB3 GLN A 34 -10.798 -6.197 9.226 1.00 0.44 H new ATOM 0 HG2 GLN A 34 -12.129 -4.412 8.741 1.00 0.76 H new ATOM 0 HG3 GLN A 34 -12.367 -4.899 7.074 1.00 0.76 H new ATOM 0 HE21 GLN A 34 -13.960 -6.544 6.569 1.00 1.72 H new ATOM 0 HE22 GLN A 34 -15.320 -6.811 7.664 1.00 1.72 H new ATOM 541 N PHE A 35 -9.056 -8.385 7.053 1.00 0.43 N ATOM 542 CA PHE A 35 -7.991 -9.340 7.335 1.00 0.48 C ATOM 543 C PHE A 35 -7.046 -9.486 6.143 1.00 0.43 C ATOM 544 O PHE A 35 -5.930 -9.985 6.285 1.00 0.47 O ATOM 545 CB PHE A 35 -8.583 -10.704 7.698 1.00 0.58 C ATOM 546 CG PHE A 35 -9.668 -11.156 6.762 1.00 0.99 C ATOM 547 CD1 PHE A 35 -9.402 -11.356 5.417 1.00 1.12 C ATOM 548 CD2 PHE A 35 -10.954 -11.380 7.228 1.00 1.86 C ATOM 549 CE1 PHE A 35 -10.398 -11.772 4.554 1.00 1.64 C ATOM 550 CE2 PHE A 35 -11.954 -11.795 6.369 1.00 2.52 C ATOM 551 CZ PHE A 35 -11.676 -11.992 5.031 1.00 2.31 C ATOM 0 H PHE A 35 -9.805 -8.750 6.465 1.00 0.43 H new ATOM 0 HA PHE A 35 -7.418 -8.959 8.181 1.00 0.48 H new ATOM 0 HB2 PHE A 35 -7.786 -11.447 7.703 1.00 0.58 H new ATOM 0 HB3 PHE A 35 -8.983 -10.659 8.711 1.00 0.58 H new ATOM 0 HD1 PHE A 35 -8.405 -11.185 5.039 1.00 1.12 H new ATOM 0 HD2 PHE A 35 -11.177 -11.229 8.274 1.00 1.86 H new ATOM 0 HE1 PHE A 35 -10.178 -11.925 3.508 1.00 1.64 H new ATOM 0 HE2 PHE A 35 -12.952 -11.965 6.744 1.00 2.52 H new ATOM 0 HZ PHE A 35 -12.456 -12.317 4.359 1.00 2.31 H new ATOM 561 N ASP A 36 -7.496 -9.052 4.968 1.00 0.36 N ATOM 562 CA ASP A 36 -6.683 -9.143 3.760 1.00 0.34 C ATOM 563 C ASP A 36 -5.943 -7.836 3.499 1.00 0.25 C ATOM 564 O ASP A 36 -6.431 -6.969 2.775 1.00 0.21 O ATOM 565 CB ASP A 36 -7.560 -9.493 2.557 1.00 0.41 C ATOM 566 CG ASP A 36 -6.807 -10.272 1.497 1.00 0.76 C ATOM 567 OD1 ASP A 36 -5.894 -11.041 1.863 1.00 1.69 O ATOM 568 OD2 ASP A 36 -7.131 -10.112 0.301 1.00 0.84 O ATOM 0 H ASP A 36 -8.416 -8.635 4.828 1.00 0.36 H new ATOM 0 HA ASP A 36 -5.946 -9.932 3.908 1.00 0.34 H new ATOM 0 HB2 ASP A 36 -8.416 -10.078 2.893 1.00 0.41 H new ATOM 0 HB3 ASP A 36 -7.953 -8.576 2.119 1.00 0.41 H new ATOM 573 N SER A 37 -4.762 -7.701 4.092 1.00 0.26 N ATOM 574 CA SER A 37 -3.954 -6.500 3.921 1.00 0.21 C ATOM 575 C SER A 37 -3.624 -6.275 2.450 1.00 0.23 C ATOM 576 O SER A 37 -3.644 -7.210 1.650 1.00 0.28 O ATOM 577 CB SER A 37 -2.662 -6.610 4.731 1.00 0.25 C ATOM 578 OG SER A 37 -2.370 -7.960 5.046 1.00 0.94 O ATOM 0 H SER A 37 -4.343 -8.409 4.695 1.00 0.26 H new ATOM 0 HA SER A 37 -4.531 -5.649 4.283 1.00 0.21 H new ATOM 0 HB2 SER A 37 -1.836 -6.179 4.165 1.00 0.25 H new ATOM 0 HB3 SER A 37 -2.755 -6.031 5.650 1.00 0.25 H new ATOM 0 HG SER A 37 -1.418 -8.134 4.889 1.00 0.94 H new ATOM 584 N ILE A 38 -3.314 -5.033 2.098 1.00 0.22 N ATOM 585 CA ILE A 38 -2.976 -4.695 0.722 1.00 0.27 C ATOM 586 C ILE A 38 -1.540 -5.094 0.408 1.00 0.27 C ATOM 587 O ILE A 38 -1.298 -6.016 -0.373 1.00 0.27 O ATOM 588 CB ILE A 38 -3.172 -3.191 0.445 1.00 0.32 C ATOM 589 CG1 ILE A 38 -4.597 -2.782 0.860 1.00 0.36 C ATOM 590 CG2 ILE A 38 -2.900 -2.886 -1.028 1.00 0.34 C ATOM 591 CD1 ILE A 38 -5.137 -1.548 0.164 1.00 0.47 C ATOM 0 H ILE A 38 -3.290 -4.245 2.745 1.00 0.22 H new ATOM 0 HA ILE A 38 -3.652 -5.253 0.074 1.00 0.27 H new ATOM 0 HB ILE A 38 -2.463 -2.608 1.033 1.00 0.32 H new ATOM 0 HG12 ILE A 38 -5.270 -3.616 0.663 1.00 0.36 H new ATOM 0 HG13 ILE A 38 -4.610 -2.609 1.936 1.00 0.36 H new ATOM 0 HG21 ILE A 38 -3.042 -1.821 -1.211 1.00 0.34 H new ATOM 0 HG22 ILE A 38 -1.875 -3.163 -1.274 1.00 0.34 H new ATOM 0 HG23 ILE A 38 -3.589 -3.456 -1.651 1.00 0.34 H new ATOM 0 HD11 ILE A 38 -6.145 -1.340 0.522 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -4.492 -0.696 0.381 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -5.162 -1.719 -0.912 1.00 0.47 H new ATOM 603 N CYS A 39 -0.593 -4.403 1.027 1.00 0.32 N ATOM 604 CA CYS A 39 0.820 -4.693 0.820 1.00 0.34 C ATOM 605 C CYS A 39 1.593 -4.593 2.127 1.00 0.40 C ATOM 606 O CYS A 39 1.171 -3.913 3.061 1.00 0.55 O ATOM 607 CB CYS A 39 1.435 -3.744 -0.218 1.00 0.40 C ATOM 608 SG CYS A 39 0.603 -2.143 -0.379 1.00 1.29 S ATOM 0 H CYS A 39 -0.777 -3.638 1.676 1.00 0.32 H new ATOM 0 HA CYS A 39 0.891 -5.714 0.445 1.00 0.34 H new ATOM 0 HB2 CYS A 39 2.478 -3.570 0.045 1.00 0.40 H new ATOM 0 HB3 CYS A 39 1.429 -4.239 -1.189 1.00 0.40 H new ATOM 0 HG CYS A 39 1.472 -1.186 -0.241 1.00 1.29 H new ATOM 614 N GLU A 40 2.731 -5.271 2.182 1.00 0.36 N ATOM 615 CA GLU A 40 3.572 -5.252 3.369 1.00 0.44 C ATOM 616 C GLU A 40 5.042 -5.193 2.976 1.00 0.48 C ATOM 617 O GLU A 40 5.528 -6.041 2.228 1.00 0.50 O ATOM 618 CB GLU A 40 3.310 -6.488 4.232 1.00 0.57 C ATOM 619 CG GLU A 40 1.901 -6.548 4.799 1.00 1.15 C ATOM 620 CD GLU A 40 0.986 -7.451 3.995 1.00 1.65 C ATOM 621 OE1 GLU A 40 0.799 -7.185 2.789 1.00 1.74 O ATOM 622 OE2 GLU A 40 0.454 -8.424 4.571 1.00 2.37 O ATOM 0 H GLU A 40 3.093 -5.841 1.417 1.00 0.36 H new ATOM 0 HA GLU A 40 3.326 -4.362 3.949 1.00 0.44 H new ATOM 0 HB2 GLU A 40 3.491 -7.382 3.635 1.00 0.57 H new ATOM 0 HB3 GLU A 40 4.025 -6.504 5.055 1.00 0.57 H new ATOM 0 HG2 GLU A 40 1.943 -6.903 5.829 1.00 1.15 H new ATOM 0 HG3 GLU A 40 1.481 -5.542 4.826 1.00 1.15 H new ATOM 629 N VAL A 41 5.747 -4.192 3.486 1.00 0.55 N ATOM 630 CA VAL A 41 7.163 -4.034 3.189 1.00 0.64 C ATOM 631 C VAL A 41 8.003 -4.324 4.424 1.00 0.92 C ATOM 632 O VAL A 41 7.605 -4.007 5.545 1.00 1.08 O ATOM 633 CB VAL A 41 7.486 -2.618 2.667 1.00 0.65 C ATOM 634 CG1 VAL A 41 6.629 -2.289 1.455 1.00 1.35 C ATOM 635 CG2 VAL A 41 7.298 -1.576 3.761 1.00 1.32 C ATOM 0 H VAL A 41 5.362 -3.479 4.106 1.00 0.55 H new ATOM 0 HA VAL A 41 7.408 -4.750 2.404 1.00 0.64 H new ATOM 0 HB VAL A 41 8.533 -2.599 2.364 1.00 0.65 H new ATOM 0 HG11 VAL A 41 6.870 -1.287 1.100 1.00 1.35 H new ATOM 0 HG12 VAL A 41 6.826 -3.012 0.663 1.00 1.35 H new ATOM 0 HG13 VAL A 41 5.576 -2.332 1.732 1.00 1.35 H new ATOM 0 HG21 VAL A 41 7.532 -0.587 3.366 1.00 1.32 H new ATOM 0 HG22 VAL A 41 6.264 -1.593 4.106 1.00 1.32 H new ATOM 0 HG23 VAL A 41 7.963 -1.800 4.595 1.00 1.32 H new ATOM 645 N GLN A 42 9.161 -4.936 4.217 1.00 1.03 N ATOM 646 CA GLN A 42 10.043 -5.274 5.328 1.00 1.34 C ATOM 647 C GLN A 42 11.458 -4.756 5.093 1.00 1.39 C ATOM 648 O GLN A 42 12.107 -5.109 4.108 1.00 1.38 O ATOM 649 CB GLN A 42 10.066 -6.789 5.545 1.00 1.58 C ATOM 650 CG GLN A 42 8.698 -7.382 5.853 1.00 1.80 C ATOM 651 CD GLN A 42 8.765 -8.506 6.867 1.00 2.17 C ATOM 652 OE1 GLN A 42 9.748 -9.245 6.930 1.00 2.33 O ATOM 653 NE2 GLN A 42 7.715 -8.642 7.669 1.00 2.60 N ATOM 0 H GLN A 42 9.511 -5.207 3.298 1.00 1.03 H new ATOM 0 HA GLN A 42 9.652 -4.790 6.223 1.00 1.34 H new ATOM 0 HB2 GLN A 42 10.468 -7.269 4.653 1.00 1.58 H new ATOM 0 HB3 GLN A 42 10.746 -7.020 6.365 1.00 1.58 H new ATOM 0 HG2 GLN A 42 8.042 -6.597 6.229 1.00 1.80 H new ATOM 0 HG3 GLN A 42 8.252 -7.755 4.931 1.00 1.80 H new ATOM 0 HE21 GLN A 42 6.921 -8.007 7.582 1.00 2.60 H new ATOM 0 HE22 GLN A 42 7.702 -9.381 8.372 1.00 2.60 H new ATOM 662 N SER A 43 11.929 -3.919 6.012 1.00 1.55 N ATOM 663 CA SER A 43 13.268 -3.349 5.922 1.00 1.64 C ATOM 664 C SER A 43 14.109 -3.766 7.126 1.00 2.05 C ATOM 665 O SER A 43 13.573 -4.066 8.193 1.00 2.29 O ATOM 666 CB SER A 43 13.194 -1.823 5.840 1.00 1.43 C ATOM 667 OG SER A 43 14.289 -1.297 5.108 1.00 1.73 O ATOM 0 H SER A 43 11.400 -3.620 6.831 1.00 1.55 H new ATOM 0 HA SER A 43 13.741 -3.728 5.016 1.00 1.64 H new ATOM 0 HB2 SER A 43 12.259 -1.526 5.365 1.00 1.43 H new ATOM 0 HB3 SER A 43 13.189 -1.402 6.845 1.00 1.43 H new ATOM 0 HG SER A 43 14.217 -0.320 5.069 1.00 1.73 H new ATOM 673 N ASP A 44 15.426 -3.786 6.949 1.00 2.23 N ATOM 674 CA ASP A 44 16.339 -4.171 8.023 1.00 2.66 C ATOM 675 C ASP A 44 15.993 -3.453 9.325 1.00 2.80 C ATOM 676 O ASP A 44 16.267 -3.957 10.415 1.00 3.14 O ATOM 677 CB ASP A 44 17.782 -3.864 7.625 1.00 2.85 C ATOM 678 CG ASP A 44 17.953 -2.445 7.122 1.00 3.67 C ATOM 679 OD1 ASP A 44 16.973 -1.672 7.180 1.00 3.89 O ATOM 680 OD2 ASP A 44 19.067 -2.105 6.671 1.00 4.39 O ATOM 0 H ASP A 44 15.886 -3.540 6.073 1.00 2.23 H new ATOM 0 HA ASP A 44 16.232 -5.243 8.187 1.00 2.66 H new ATOM 0 HB2 ASP A 44 18.435 -4.023 8.483 1.00 2.85 H new ATOM 0 HB3 ASP A 44 18.099 -4.562 6.850 1.00 2.85 H new ATOM 685 N LYS A 45 15.386 -2.277 9.204 1.00 2.69 N ATOM 686 CA LYS A 45 14.998 -1.493 10.371 1.00 2.92 C ATOM 687 C LYS A 45 13.806 -2.129 11.078 1.00 3.03 C ATOM 688 O LYS A 45 13.937 -2.677 12.171 1.00 3.65 O ATOM 689 CB LYS A 45 14.648 -0.062 9.956 1.00 2.89 C ATOM 690 CG LYS A 45 15.862 0.833 9.772 1.00 2.98 C ATOM 691 CD LYS A 45 15.457 2.254 9.412 1.00 3.17 C ATOM 692 CE LYS A 45 14.814 2.319 8.035 1.00 3.22 C ATOM 693 NZ LYS A 45 15.815 2.141 6.947 1.00 3.62 N ATOM 0 H LYS A 45 15.152 -1.846 8.310 1.00 2.69 H new ATOM 0 HA LYS A 45 15.842 -1.471 11.060 1.00 2.92 H new ATOM 0 HB2 LYS A 45 14.084 -0.091 9.024 1.00 2.89 H new ATOM 0 HB3 LYS A 45 13.995 0.377 10.710 1.00 2.89 H new ATOM 0 HG2 LYS A 45 16.451 0.843 10.689 1.00 2.98 H new ATOM 0 HG3 LYS A 45 16.500 0.426 8.988 1.00 2.98 H new ATOM 0 HD2 LYS A 45 14.760 2.635 10.158 1.00 3.17 H new ATOM 0 HD3 LYS A 45 16.334 2.901 9.436 1.00 3.17 H new ATOM 0 HE2 LYS A 45 14.049 1.547 7.955 1.00 3.22 H new ATOM 0 HE3 LYS A 45 14.312 3.279 7.913 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 15.361 2.309 6.027 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 16.594 2.818 7.078 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 16.190 1.172 6.976 1.00 3.62 H new ATOM 707 N ALA A 46 12.643 -2.049 10.441 1.00 2.58 N ATOM 708 CA ALA A 46 11.422 -2.614 10.998 1.00 2.82 C ATOM 709 C ALA A 46 10.549 -3.208 9.899 1.00 2.68 C ATOM 710 O ALA A 46 10.735 -2.913 8.718 1.00 2.63 O ATOM 711 CB ALA A 46 10.654 -1.552 11.771 1.00 2.83 C ATOM 0 H ALA A 46 12.521 -1.596 9.535 1.00 2.58 H new ATOM 0 HA ALA A 46 11.697 -3.415 11.684 1.00 2.82 H new ATOM 0 HB1 ALA A 46 9.744 -1.988 12.182 1.00 2.83 H new ATOM 0 HB2 ALA A 46 11.274 -1.174 12.584 1.00 2.83 H new ATOM 0 HB3 ALA A 46 10.393 -0.732 11.102 1.00 2.83 H new ATOM 717 N SER A 47 9.594 -4.044 10.292 1.00 2.96 N ATOM 718 CA SER A 47 8.692 -4.677 9.337 1.00 2.92 C ATOM 719 C SER A 47 7.366 -3.930 9.282 1.00 2.26 C ATOM 720 O SER A 47 6.634 -3.872 10.270 1.00 2.31 O ATOM 721 CB SER A 47 8.453 -6.138 9.718 1.00 3.72 C ATOM 722 OG SER A 47 9.630 -6.732 10.237 1.00 4.52 O ATOM 0 H SER A 47 9.425 -4.299 11.265 1.00 2.96 H new ATOM 0 HA SER A 47 9.156 -4.642 8.351 1.00 2.92 H new ATOM 0 HB2 SER A 47 7.656 -6.197 10.459 1.00 3.72 H new ATOM 0 HB3 SER A 47 8.117 -6.694 8.843 1.00 3.72 H new ATOM 0 HG SER A 47 9.448 -7.665 10.474 1.00 4.52 H new ATOM 728 N VAL A 48 7.065 -3.349 8.124 1.00 2.12 N ATOM 729 CA VAL A 48 5.829 -2.594 7.950 1.00 1.80 C ATOM 730 C VAL A 48 4.775 -3.411 7.216 1.00 1.55 C ATOM 731 O VAL A 48 5.069 -4.093 6.234 1.00 1.97 O ATOM 732 CB VAL A 48 6.049 -1.274 7.175 1.00 2.53 C ATOM 733 CG1 VAL A 48 5.051 -0.220 7.630 1.00 2.98 C ATOM 734 CG2 VAL A 48 7.478 -0.767 7.334 1.00 3.50 C ATOM 0 H VAL A 48 7.658 -3.386 7.295 1.00 2.12 H new ATOM 0 HA VAL A 48 5.483 -2.360 8.957 1.00 1.80 H new ATOM 0 HB VAL A 48 5.886 -1.475 6.116 1.00 2.53 H new ATOM 0 HG11 VAL A 48 5.219 0.703 7.075 1.00 2.98 H new ATOM 0 HG12 VAL A 48 4.037 -0.575 7.445 1.00 2.98 H new ATOM 0 HG13 VAL A 48 5.181 -0.032 8.696 1.00 2.98 H new ATOM 0 HG21 VAL A 48 7.599 0.162 6.777 1.00 3.50 H new ATOM 0 HG22 VAL A 48 7.685 -0.587 8.389 1.00 3.50 H new ATOM 0 HG23 VAL A 48 8.174 -1.513 6.950 1.00 3.50 H new ATOM 744 N THR A 49 3.541 -3.319 7.693 1.00 1.13 N ATOM 745 CA THR A 49 2.424 -4.027 7.086 1.00 0.98 C ATOM 746 C THR A 49 1.232 -3.087 6.936 1.00 0.69 C ATOM 747 O THR A 49 0.853 -2.400 7.885 1.00 0.71 O ATOM 748 CB THR A 49 2.015 -5.256 7.920 1.00 1.22 C ATOM 749 OG1 THR A 49 1.509 -4.840 9.195 1.00 1.28 O ATOM 750 CG2 THR A 49 3.201 -6.191 8.120 1.00 1.46 C ATOM 0 H THR A 49 3.288 -2.756 8.505 1.00 1.13 H new ATOM 0 HA THR A 49 2.743 -4.375 6.104 1.00 0.98 H new ATOM 0 HB THR A 49 1.235 -5.791 7.379 1.00 1.22 H new ATOM 0 HG1 THR A 49 1.170 -3.923 9.129 1.00 1.28 H new ATOM 0 HG21 THR A 49 2.890 -7.052 8.711 1.00 1.46 H new ATOM 0 HG22 THR A 49 3.565 -6.530 7.150 1.00 1.46 H new ATOM 0 HG23 THR A 49 3.998 -5.661 8.642 1.00 1.46 H new ATOM 758 N ILE A 50 0.657 -3.039 5.739 1.00 0.66 N ATOM 759 CA ILE A 50 -0.473 -2.153 5.476 1.00 0.49 C ATOM 760 C ILE A 50 -1.807 -2.890 5.548 1.00 0.37 C ATOM 761 O ILE A 50 -2.135 -3.699 4.679 1.00 0.36 O ATOM 762 CB ILE A 50 -0.346 -1.480 4.093 1.00 0.66 C ATOM 763 CG1 ILE A 50 0.972 -0.710 3.994 1.00 0.95 C ATOM 764 CG2 ILE A 50 -1.524 -0.547 3.843 1.00 0.78 C ATOM 765 CD1 ILE A 50 2.008 -1.388 3.125 1.00 1.01 C ATOM 0 H ILE A 50 0.952 -3.599 4.939 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.452 -1.391 6.255 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.353 -2.258 3.329 1.00 0.66 H new ATOM 0 HG12 ILE A 50 0.772 0.285 3.597 1.00 0.95 H new ATOM 0 HG13 ILE A 50 1.381 -0.577 4.996 1.00 0.95 H new ATOM 0 HG21 ILE A 50 -1.418 -0.081 2.863 1.00 0.78 H new ATOM 0 HG22 ILE A 50 -2.453 -1.117 3.875 1.00 0.78 H new ATOM 0 HG23 ILE A 50 -1.546 0.226 4.612 1.00 0.78 H new ATOM 0 HD11 ILE A 50 2.915 -0.784 3.102 1.00 1.01 H new ATOM 0 HD12 ILE A 50 2.237 -2.372 3.533 1.00 1.01 H new ATOM 0 HD13 ILE A 50 1.619 -1.497 2.113 1.00 1.01 H new ATOM 777 N THR A 51 -2.580 -2.583 6.586 1.00 0.41 N ATOM 778 CA THR A 51 -3.890 -3.190 6.775 1.00 0.44 C ATOM 779 C THR A 51 -4.965 -2.339 6.111 1.00 0.40 C ATOM 780 O THR A 51 -4.663 -1.311 5.504 1.00 0.50 O ATOM 781 CB THR A 51 -4.230 -3.358 8.267 1.00 0.56 C ATOM 782 OG1 THR A 51 -3.625 -2.308 9.030 1.00 0.79 O ATOM 783 CG2 THR A 51 -3.750 -4.707 8.783 1.00 1.04 C ATOM 0 H THR A 51 -2.319 -1.914 7.311 1.00 0.41 H new ATOM 0 HA THR A 51 -3.859 -4.178 6.315 1.00 0.44 H new ATOM 0 HB THR A 51 -5.313 -3.308 8.377 1.00 0.56 H new ATOM 0 HG1 THR A 51 -3.848 -2.422 9.977 1.00 0.79 H new ATOM 0 HG21 THR A 51 -4.001 -4.803 9.839 1.00 1.04 H new ATOM 0 HG22 THR A 51 -4.235 -5.505 8.221 1.00 1.04 H new ATOM 0 HG23 THR A 51 -2.670 -4.780 8.659 1.00 1.04 H new ATOM 791 N SER A 52 -6.217 -2.767 6.217 1.00 0.49 N ATOM 792 CA SER A 52 -7.317 -2.030 5.609 1.00 0.56 C ATOM 793 C SER A 52 -8.355 -1.601 6.643 1.00 0.56 C ATOM 794 O SER A 52 -8.982 -0.552 6.501 1.00 0.66 O ATOM 795 CB SER A 52 -7.988 -2.882 4.530 1.00 0.63 C ATOM 796 OG SER A 52 -8.734 -2.077 3.634 1.00 1.36 O ATOM 0 H SER A 52 -6.494 -3.613 6.714 1.00 0.49 H new ATOM 0 HA SER A 52 -6.898 -1.129 5.160 1.00 0.56 H new ATOM 0 HB2 SER A 52 -7.230 -3.439 3.979 1.00 0.63 H new ATOM 0 HB3 SER A 52 -8.645 -3.615 4.998 1.00 0.63 H new ATOM 0 HG SER A 52 -9.676 -2.344 3.661 1.00 1.36 H new ATOM 802 N ARG A 53 -8.553 -2.426 7.671 1.00 0.54 N ATOM 803 CA ARG A 53 -9.544 -2.135 8.711 1.00 0.63 C ATOM 804 C ARG A 53 -10.960 -2.086 8.123 1.00 0.58 C ATOM 805 O ARG A 53 -11.899 -1.640 8.782 1.00 0.68 O ATOM 806 CB ARG A 53 -9.249 -0.797 9.404 1.00 0.83 C ATOM 807 CG ARG A 53 -7.790 -0.363 9.365 1.00 1.39 C ATOM 808 CD ARG A 53 -6.873 -1.422 9.952 1.00 2.19 C ATOM 809 NE ARG A 53 -6.077 -0.896 11.058 1.00 2.73 N ATOM 810 CZ ARG A 53 -5.528 -1.655 12.000 1.00 3.54 C ATOM 811 NH1 ARG A 53 -5.687 -2.972 11.974 1.00 4.04 N ATOM 812 NH2 ARG A 53 -4.820 -1.097 12.972 1.00 4.23 N ATOM 0 H ARG A 53 -8.043 -3.299 7.807 1.00 0.54 H new ATOM 0 HA ARG A 53 -9.481 -2.940 9.443 1.00 0.63 H new ATOM 0 HB2 ARG A 53 -9.856 -0.021 8.938 1.00 0.83 H new ATOM 0 HB3 ARG A 53 -9.565 -0.866 10.445 1.00 0.83 H new ATOM 0 HG2 ARG A 53 -7.498 -0.160 8.335 1.00 1.39 H new ATOM 0 HG3 ARG A 53 -7.672 0.568 9.919 1.00 1.39 H new ATOM 0 HD2 ARG A 53 -7.468 -2.266 10.301 1.00 2.19 H new ATOM 0 HD3 ARG A 53 -6.210 -1.800 9.174 1.00 2.19 H new ATOM 0 HE ARG A 53 -5.934 0.113 11.110 1.00 2.73 H new ATOM 0 HH11 ARG A 53 -6.232 -3.405 11.229 1.00 4.04 H new ATOM 0 HH12 ARG A 53 -5.264 -3.551 12.699 1.00 4.04 H new ATOM 0 HH21 ARG A 53 -4.697 -0.085 12.997 1.00 4.23 H new ATOM 0 HH22 ARG A 53 -4.399 -1.680 13.695 1.00 4.23 H new ATOM 826 N TYR A 54 -11.102 -2.527 6.874 1.00 0.45 N ATOM 827 CA TYR A 54 -12.380 -2.517 6.183 1.00 0.41 C ATOM 828 C TYR A 54 -12.201 -3.139 4.807 1.00 0.31 C ATOM 829 O TYR A 54 -11.076 -3.437 4.403 1.00 0.28 O ATOM 830 CB TYR A 54 -12.911 -1.087 6.055 1.00 0.50 C ATOM 831 CG TYR A 54 -14.063 -0.779 6.985 1.00 1.15 C ATOM 832 CD1 TYR A 54 -15.296 -1.400 6.825 1.00 1.89 C ATOM 833 CD2 TYR A 54 -13.919 0.135 8.021 1.00 1.77 C ATOM 834 CE1 TYR A 54 -16.353 -1.118 7.671 1.00 2.72 C ATOM 835 CE2 TYR A 54 -14.971 0.423 8.871 1.00 2.59 C ATOM 836 CZ TYR A 54 -16.185 -0.206 8.692 1.00 2.95 C ATOM 837 OH TYR A 54 -17.235 0.079 9.535 1.00 3.88 O ATOM 0 H TYR A 54 -10.333 -2.900 6.318 1.00 0.45 H new ATOM 0 HA TYR A 54 -13.106 -3.095 6.755 1.00 0.41 H new ATOM 0 HB2 TYR A 54 -12.098 -0.388 6.254 1.00 0.50 H new ATOM 0 HB3 TYR A 54 -13.231 -0.919 5.027 1.00 0.50 H new ATOM 0 HD1 TYR A 54 -15.431 -2.115 6.027 1.00 1.89 H new ATOM 0 HD2 TYR A 54 -12.969 0.629 8.165 1.00 1.77 H new ATOM 0 HE1 TYR A 54 -17.305 -1.609 7.533 1.00 2.72 H new ATOM 0 HE2 TYR A 54 -14.842 1.137 9.671 1.00 2.59 H new ATOM 0 HH TYR A 54 -16.950 0.740 10.200 1.00 3.88 H new ATOM 847 N ASP A 55 -13.288 -3.327 4.077 1.00 0.30 N ATOM 848 CA ASP A 55 -13.186 -3.904 2.747 1.00 0.24 C ATOM 849 C ASP A 55 -13.152 -2.792 1.708 1.00 0.23 C ATOM 850 O ASP A 55 -14.083 -1.994 1.603 1.00 0.28 O ATOM 851 CB ASP A 55 -14.350 -4.853 2.467 1.00 0.28 C ATOM 852 CG ASP A 55 -14.547 -5.873 3.572 1.00 1.01 C ATOM 853 OD1 ASP A 55 -14.344 -5.519 4.752 1.00 1.33 O ATOM 854 OD2 ASP A 55 -14.903 -7.028 3.255 1.00 1.52 O ATOM 0 H ASP A 55 -14.235 -3.093 4.375 1.00 0.30 H new ATOM 0 HA ASP A 55 -12.263 -4.481 2.691 1.00 0.24 H new ATOM 0 HB2 ASP A 55 -15.265 -4.274 2.344 1.00 0.28 H new ATOM 0 HB3 ASP A 55 -14.173 -5.372 1.525 1.00 0.28 H new ATOM 859 N GLY A 56 -12.052 -2.730 0.963 1.00 0.18 N ATOM 860 CA GLY A 56 -11.889 -1.692 -0.035 1.00 0.18 C ATOM 861 C GLY A 56 -11.643 -2.231 -1.426 1.00 0.15 C ATOM 862 O GLY A 56 -11.344 -3.404 -1.597 1.00 0.15 O ATOM 0 H GLY A 56 -11.271 -3.382 1.034 1.00 0.18 H new ATOM 0 HA2 GLY A 56 -12.782 -1.067 -0.048 1.00 0.18 H new ATOM 0 HA3 GLY A 56 -11.055 -1.051 0.251 1.00 0.18 H new ATOM 866 N VAL A 57 -11.781 -1.372 -2.429 1.00 0.18 N ATOM 867 CA VAL A 57 -11.579 -1.791 -3.812 1.00 0.21 C ATOM 868 C VAL A 57 -10.263 -1.274 -4.388 1.00 0.22 C ATOM 869 O VAL A 57 -10.039 -0.067 -4.465 1.00 0.26 O ATOM 870 CB VAL A 57 -12.732 -1.316 -4.715 1.00 0.30 C ATOM 871 CG1 VAL A 57 -12.600 -1.918 -6.105 1.00 1.06 C ATOM 872 CG2 VAL A 57 -14.075 -1.667 -4.095 1.00 1.11 C ATOM 0 H VAL A 57 -12.030 -0.390 -2.313 1.00 0.18 H new ATOM 0 HA VAL A 57 -11.549 -2.880 -3.793 1.00 0.21 H new ATOM 0 HB VAL A 57 -12.677 -0.231 -4.808 1.00 0.30 H new ATOM 0 HG11 VAL A 57 -13.423 -1.572 -6.731 1.00 1.06 H new ATOM 0 HG12 VAL A 57 -11.653 -1.609 -6.547 1.00 1.06 H new ATOM 0 HG13 VAL A 57 -12.630 -3.005 -6.035 1.00 1.06 H new ATOM 0 HG21 VAL A 57 -14.878 -1.323 -4.747 1.00 1.11 H new ATOM 0 HG22 VAL A 57 -14.147 -2.747 -3.970 1.00 1.11 H new ATOM 0 HG23 VAL A 57 -14.165 -1.182 -3.123 1.00 1.11 H new ATOM 882 N ILE A 58 -9.408 -2.202 -4.815 1.00 0.21 N ATOM 883 CA ILE A 58 -8.122 -1.851 -5.413 1.00 0.24 C ATOM 884 C ILE A 58 -8.230 -1.928 -6.929 1.00 0.33 C ATOM 885 O ILE A 58 -8.668 -2.947 -7.475 1.00 0.38 O ATOM 886 CB ILE A 58 -6.998 -2.783 -4.925 1.00 0.19 C ATOM 887 CG1 ILE A 58 -7.027 -2.880 -3.402 1.00 0.20 C ATOM 888 CG2 ILE A 58 -5.642 -2.282 -5.394 1.00 0.23 C ATOM 889 CD1 ILE A 58 -6.212 -4.028 -2.853 1.00 0.17 C ATOM 0 H ILE A 58 -9.584 -3.205 -4.757 1.00 0.21 H new ATOM 0 HA ILE A 58 -7.871 -0.835 -5.107 1.00 0.24 H new ATOM 0 HB ILE A 58 -7.161 -3.774 -5.348 1.00 0.19 H new ATOM 0 HG12 ILE A 58 -6.655 -1.947 -2.980 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -8.060 -2.989 -3.073 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -4.862 -2.955 -5.038 1.00 0.23 H new ATOM 0 HG22 ILE A 58 -5.623 -2.249 -6.483 1.00 0.23 H new ATOM 0 HG23 ILE A 58 -5.467 -1.282 -4.997 1.00 0.23 H new ATOM 0 HD11 ILE A 58 -6.279 -4.034 -1.765 1.00 0.17 H new ATOM 0 HD12 ILE A 58 -6.598 -4.969 -3.246 1.00 0.17 H new ATOM 0 HD13 ILE A 58 -5.170 -3.910 -3.151 1.00 0.17 H new ATOM 901 N LYS A 59 -7.872 -0.836 -7.603 1.00 0.40 N ATOM 902 CA LYS A 59 -7.988 -0.774 -9.058 1.00 0.53 C ATOM 903 C LYS A 59 -6.675 -1.045 -9.790 1.00 0.52 C ATOM 904 O LYS A 59 -6.668 -1.758 -10.791 1.00 0.61 O ATOM 905 CB LYS A 59 -8.531 0.593 -9.475 1.00 0.65 C ATOM 906 CG LYS A 59 -9.340 0.560 -10.760 1.00 0.83 C ATOM 907 CD LYS A 59 -9.545 1.957 -11.323 1.00 1.03 C ATOM 908 CE LYS A 59 -10.030 1.910 -12.763 1.00 1.51 C ATOM 909 NZ LYS A 59 -9.154 2.701 -13.671 1.00 2.14 N ATOM 0 H LYS A 59 -7.503 0.010 -7.169 1.00 0.40 H new ATOM 0 HA LYS A 59 -8.676 -1.569 -9.346 1.00 0.53 H new ATOM 0 HB2 LYS A 59 -9.155 0.987 -8.673 1.00 0.65 H new ATOM 0 HB3 LYS A 59 -7.697 1.284 -9.598 1.00 0.65 H new ATOM 0 HG2 LYS A 59 -8.829 -0.060 -11.497 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -10.308 0.097 -10.570 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -10.269 2.495 -10.711 1.00 1.03 H new ATOM 0 HD3 LYS A 59 -8.609 2.513 -11.271 1.00 1.03 H new ATOM 0 HE2 LYS A 59 -10.062 0.874 -13.101 1.00 1.51 H new ATOM 0 HE3 LYS A 59 -11.049 2.295 -12.816 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 -9.519 2.643 -14.643 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 -9.143 3.695 -13.364 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 -8.187 2.319 -13.641 1.00 2.14 H new ATOM 923 N LYS A 60 -5.571 -0.467 -9.329 1.00 0.44 N ATOM 924 CA LYS A 60 -4.296 -0.670 -10.013 1.00 0.45 C ATOM 925 C LYS A 60 -3.135 -0.874 -9.047 1.00 0.37 C ATOM 926 O LYS A 60 -3.088 -0.287 -7.969 1.00 0.53 O ATOM 927 CB LYS A 60 -3.995 0.514 -10.931 1.00 0.55 C ATOM 928 CG LYS A 60 -3.699 1.801 -10.182 1.00 0.76 C ATOM 929 CD LYS A 60 -4.951 2.364 -9.535 1.00 0.51 C ATOM 930 CE LYS A 60 -5.212 3.791 -9.986 1.00 0.71 C ATOM 931 NZ LYS A 60 -5.822 3.837 -11.344 1.00 1.35 N ATOM 0 H LYS A 60 -5.530 0.132 -8.505 1.00 0.44 H new ATOM 0 HA LYS A 60 -4.397 -1.583 -10.600 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -3.142 0.266 -11.563 1.00 0.55 H new ATOM 0 HB3 LYS A 60 -4.846 0.676 -11.593 1.00 0.55 H new ATOM 0 HG2 LYS A 60 -2.945 1.614 -9.418 1.00 0.76 H new ATOM 0 HG3 LYS A 60 -3.280 2.536 -10.869 1.00 0.76 H new ATOM 0 HD2 LYS A 60 -5.807 1.738 -9.788 1.00 0.51 H new ATOM 0 HD3 LYS A 60 -4.846 2.337 -8.450 1.00 0.51 H new ATOM 0 HE2 LYS A 60 -5.874 4.283 -9.273 1.00 0.71 H new ATOM 0 HE3 LYS A 60 -4.276 4.349 -9.989 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 -5.549 4.722 -11.817 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 -5.485 3.027 -11.903 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 -6.858 3.794 -11.261 1.00 1.35 H new ATOM 945 N LEU A 61 -2.189 -1.705 -9.472 1.00 0.35 N ATOM 946 CA LEU A 61 -0.996 -2.005 -8.692 1.00 0.37 C ATOM 947 C LEU A 61 0.223 -2.023 -9.615 1.00 0.56 C ATOM 948 O LEU A 61 0.170 -2.595 -10.704 1.00 0.94 O ATOM 949 CB LEU A 61 -1.150 -3.351 -7.984 1.00 0.39 C ATOM 950 CG LEU A 61 -2.132 -3.361 -6.810 1.00 0.33 C ATOM 951 CD1 LEU A 61 -3.168 -4.458 -6.991 1.00 1.14 C ATOM 952 CD2 LEU A 61 -1.387 -3.544 -5.499 1.00 0.91 C ATOM 0 H LEU A 61 -2.229 -2.190 -10.369 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.858 -1.235 -7.933 1.00 0.37 H new ATOM 0 HB2 LEU A 61 -1.474 -4.093 -8.714 1.00 0.39 H new ATOM 0 HB3 LEU A 61 -0.172 -3.667 -7.621 1.00 0.39 H new ATOM 0 HG LEU A 61 -2.649 -2.402 -6.784 1.00 0.33 H new ATOM 0 HD11 LEU A 61 -3.858 -4.450 -6.147 1.00 1.14 H new ATOM 0 HD12 LEU A 61 -3.722 -4.287 -7.914 1.00 1.14 H new ATOM 0 HD13 LEU A 61 -2.668 -5.425 -7.042 1.00 1.14 H new ATOM 0 HD21 LEU A 61 -2.099 -3.549 -4.674 1.00 0.91 H new ATOM 0 HD22 LEU A 61 -0.846 -4.490 -5.517 1.00 0.91 H new ATOM 0 HD23 LEU A 61 -0.681 -2.725 -5.364 1.00 0.91 H new ATOM 964 N TYR A 62 1.309 -1.381 -9.197 1.00 0.68 N ATOM 965 CA TYR A 62 2.512 -1.323 -10.025 1.00 0.88 C ATOM 966 C TYR A 62 3.688 -2.060 -9.391 1.00 0.75 C ATOM 967 O TYR A 62 4.408 -2.792 -10.071 1.00 0.87 O ATOM 968 CB TYR A 62 2.898 0.134 -10.289 1.00 1.16 C ATOM 969 CG TYR A 62 3.887 0.301 -11.421 1.00 1.24 C ATOM 970 CD1 TYR A 62 3.463 0.296 -12.744 1.00 1.55 C ATOM 971 CD2 TYR A 62 5.243 0.464 -11.168 1.00 1.81 C ATOM 972 CE1 TYR A 62 4.362 0.447 -13.782 1.00 2.07 C ATOM 973 CE2 TYR A 62 6.148 0.616 -12.201 1.00 2.35 C ATOM 974 CZ TYR A 62 5.703 0.607 -13.505 1.00 2.38 C ATOM 975 OH TYR A 62 6.603 0.756 -14.534 1.00 3.08 O ATOM 0 H TYR A 62 1.383 -0.899 -8.301 1.00 0.68 H new ATOM 0 HA TYR A 62 2.280 -1.822 -10.966 1.00 0.88 H new ATOM 0 HB2 TYR A 62 1.998 0.704 -10.517 1.00 1.16 H new ATOM 0 HB3 TYR A 62 3.323 0.559 -9.380 1.00 1.16 H new ATOM 0 HD1 TYR A 62 2.413 0.172 -12.965 1.00 1.55 H new ATOM 0 HD2 TYR A 62 5.596 0.472 -10.147 1.00 1.81 H new ATOM 0 HE1 TYR A 62 4.016 0.440 -14.805 1.00 2.07 H new ATOM 0 HE2 TYR A 62 7.199 0.741 -11.987 1.00 2.35 H new ATOM 0 HH TYR A 62 7.506 0.859 -14.167 1.00 3.08 H new ATOM 985 N TYR A 63 3.898 -1.850 -8.097 1.00 0.64 N ATOM 986 CA TYR A 63 5.011 -2.485 -7.397 1.00 0.62 C ATOM 987 C TYR A 63 4.603 -3.815 -6.765 1.00 0.63 C ATOM 988 O TYR A 63 3.557 -3.921 -6.124 1.00 0.73 O ATOM 989 CB TYR A 63 5.566 -1.534 -6.335 1.00 0.79 C ATOM 990 CG TYR A 63 6.200 -0.293 -6.925 1.00 1.02 C ATOM 991 CD1 TYR A 63 7.037 -0.381 -8.031 1.00 1.16 C ATOM 992 CD2 TYR A 63 5.960 0.964 -6.384 1.00 1.28 C ATOM 993 CE1 TYR A 63 7.617 0.747 -8.580 1.00 1.45 C ATOM 994 CE2 TYR A 63 6.535 2.097 -6.928 1.00 1.56 C ATOM 995 CZ TYR A 63 7.363 1.984 -8.026 1.00 1.60 C ATOM 996 OH TYR A 63 7.936 3.111 -8.570 1.00 1.93 O ATOM 0 H TYR A 63 3.317 -1.249 -7.513 1.00 0.64 H new ATOM 0 HA TYR A 63 5.788 -2.702 -8.130 1.00 0.62 H new ATOM 0 HB2 TYR A 63 4.760 -1.239 -5.663 1.00 0.79 H new ATOM 0 HB3 TYR A 63 6.306 -2.062 -5.733 1.00 0.79 H new ATOM 0 HD1 TYR A 63 7.238 -1.348 -8.469 1.00 1.16 H new ATOM 0 HD2 TYR A 63 5.313 1.057 -5.524 1.00 1.28 H new ATOM 0 HE1 TYR A 63 8.266 0.660 -9.439 1.00 1.45 H new ATOM 0 HE2 TYR A 63 6.337 3.067 -6.496 1.00 1.56 H new ATOM 0 HH TYR A 63 8.849 3.211 -8.228 1.00 1.93 H new ATOM 1006 N ASN A 64 5.447 -4.829 -6.957 1.00 0.63 N ATOM 1007 CA ASN A 64 5.199 -6.162 -6.419 1.00 0.67 C ATOM 1008 C ASN A 64 6.216 -6.517 -5.341 1.00 0.49 C ATOM 1009 O ASN A 64 7.016 -5.682 -4.917 1.00 0.47 O ATOM 1010 CB ASN A 64 5.280 -7.205 -7.535 1.00 0.93 C ATOM 1011 CG ASN A 64 4.162 -7.062 -8.550 1.00 1.14 C ATOM 1012 OD1 ASN A 64 4.353 -6.492 -9.624 1.00 1.70 O ATOM 1013 ND2 ASN A 64 2.985 -7.579 -8.214 1.00 1.03 N ATOM 0 H ASN A 64 6.315 -4.748 -7.486 1.00 0.63 H new ATOM 0 HA ASN A 64 4.201 -6.161 -5.981 1.00 0.67 H new ATOM 0 HB2 ASN A 64 6.240 -7.114 -8.043 1.00 0.93 H new ATOM 0 HB3 ASN A 64 5.243 -8.203 -7.098 1.00 0.93 H new ATOM 0 HD21 ASN A 64 2.196 -7.512 -8.857 1.00 1.03 H new ATOM 0 HD22 ASN A 64 2.870 -8.043 -7.313 1.00 1.03 H new ATOM 1020 N LEU A 65 6.170 -7.770 -4.909 1.00 0.54 N ATOM 1021 CA LEU A 65 7.067 -8.281 -3.889 1.00 0.54 C ATOM 1022 C LEU A 65 8.534 -8.047 -4.248 1.00 0.66 C ATOM 1023 O LEU A 65 9.403 -8.064 -3.377 1.00 0.77 O ATOM 1024 CB LEU A 65 6.824 -9.779 -3.718 1.00 0.66 C ATOM 1025 CG LEU A 65 5.466 -10.162 -3.129 1.00 0.75 C ATOM 1026 CD1 LEU A 65 4.615 -10.865 -4.174 1.00 1.06 C ATOM 1027 CD2 LEU A 65 5.647 -11.050 -1.906 1.00 1.04 C ATOM 0 H LEU A 65 5.506 -8.461 -5.259 1.00 0.54 H new ATOM 0 HA LEU A 65 6.862 -7.747 -2.961 1.00 0.54 H new ATOM 0 HB2 LEU A 65 6.927 -10.260 -4.691 1.00 0.66 H new ATOM 0 HB3 LEU A 65 7.606 -10.186 -3.077 1.00 0.66 H new ATOM 0 HG LEU A 65 4.954 -9.251 -2.821 1.00 0.75 H new ATOM 0 HD11 LEU A 65 3.651 -11.131 -3.739 1.00 1.06 H new ATOM 0 HD12 LEU A 65 4.459 -10.200 -5.023 1.00 1.06 H new ATOM 0 HD13 LEU A 65 5.124 -11.769 -4.510 1.00 1.06 H new ATOM 0 HD21 LEU A 65 4.670 -11.313 -1.500 1.00 1.04 H new ATOM 0 HD22 LEU A 65 6.178 -11.958 -2.191 1.00 1.04 H new ATOM 0 HD23 LEU A 65 6.222 -10.515 -1.150 1.00 1.04 H new ATOM 1039 N ASP A 66 8.811 -7.859 -5.534 1.00 0.75 N ATOM 1040 CA ASP A 66 10.184 -7.659 -5.993 1.00 0.92 C ATOM 1041 C ASP A 66 10.488 -6.195 -6.303 1.00 0.87 C ATOM 1042 O ASP A 66 11.639 -5.767 -6.224 1.00 1.00 O ATOM 1043 CB ASP A 66 10.447 -8.510 -7.235 1.00 1.12 C ATOM 1044 CG ASP A 66 11.059 -9.855 -6.898 1.00 1.74 C ATOM 1045 OD1 ASP A 66 10.312 -10.753 -6.457 1.00 2.30 O ATOM 1046 OD2 ASP A 66 12.286 -10.010 -7.073 1.00 2.33 O ATOM 0 H ASP A 66 8.109 -7.841 -6.274 1.00 0.75 H new ATOM 0 HA ASP A 66 10.842 -7.966 -5.180 1.00 0.92 H new ATOM 0 HB2 ASP A 66 9.510 -8.665 -7.771 1.00 1.12 H new ATOM 0 HB3 ASP A 66 11.113 -7.970 -7.907 1.00 1.12 H new ATOM 1051 N ASP A 67 9.466 -5.433 -6.672 1.00 0.77 N ATOM 1052 CA ASP A 67 9.659 -4.026 -7.008 1.00 0.81 C ATOM 1053 C ASP A 67 9.819 -3.167 -5.759 1.00 0.69 C ATOM 1054 O ASP A 67 9.199 -3.427 -4.711 1.00 0.56 O ATOM 1055 CB ASP A 67 8.499 -3.508 -7.856 1.00 0.92 C ATOM 1056 CG ASP A 67 8.138 -4.458 -8.981 1.00 1.35 C ATOM 1057 OD1 ASP A 67 8.899 -5.422 -9.212 1.00 1.54 O ATOM 1058 OD2 ASP A 67 7.094 -4.240 -9.631 1.00 1.85 O ATOM 0 H ASP A 67 8.503 -5.761 -6.746 1.00 0.77 H new ATOM 0 HA ASP A 67 10.580 -3.954 -7.587 1.00 0.81 H new ATOM 0 HB2 ASP A 67 7.627 -3.354 -7.220 1.00 0.92 H new ATOM 0 HB3 ASP A 67 8.763 -2.537 -8.275 1.00 0.92 H new ATOM 1063 N ILE A 68 10.669 -2.144 -5.879 1.00 0.83 N ATOM 1064 CA ILE A 68 10.944 -1.224 -4.781 1.00 0.78 C ATOM 1065 C ILE A 68 10.134 0.050 -4.937 1.00 0.99 C ATOM 1066 O ILE A 68 10.057 0.622 -6.024 1.00 1.38 O ATOM 1067 CB ILE A 68 12.434 -0.826 -4.705 1.00 1.07 C ATOM 1068 CG1 ILE A 68 13.352 -2.071 -4.718 1.00 1.27 C ATOM 1069 CG2 ILE A 68 12.670 0.070 -3.488 1.00 1.06 C ATOM 1070 CD1 ILE A 68 13.721 -2.635 -3.352 1.00 1.10 C ATOM 0 H ILE A 68 11.181 -1.934 -6.736 1.00 0.83 H new ATOM 0 HA ILE A 68 10.669 -1.752 -3.868 1.00 0.78 H new ATOM 0 HB ILE A 68 12.696 -0.252 -5.594 1.00 1.07 H new ATOM 0 HG12 ILE A 68 12.861 -2.856 -5.294 1.00 1.27 H new ATOM 0 HG13 ILE A 68 14.271 -1.816 -5.246 1.00 1.27 H new ATOM 0 HG21 ILE A 68 13.723 0.348 -3.439 1.00 1.06 H new ATOM 0 HG22 ILE A 68 12.061 0.970 -3.575 1.00 1.06 H new ATOM 0 HG23 ILE A 68 12.394 -0.468 -2.581 1.00 1.06 H new ATOM 0 HD11 ILE A 68 14.366 -3.504 -3.479 1.00 1.10 H new ATOM 0 HD12 ILE A 68 14.247 -1.875 -2.774 1.00 1.10 H new ATOM 0 HD13 ILE A 68 12.815 -2.930 -2.823 1.00 1.10 H new ATOM 1082 N ALA A 69 9.545 0.499 -3.841 1.00 1.00 N ATOM 1083 CA ALA A 69 8.757 1.716 -3.854 1.00 1.34 C ATOM 1084 C ALA A 69 9.576 2.877 -3.307 1.00 1.19 C ATOM 1085 O ALA A 69 10.425 2.691 -2.426 1.00 1.68 O ATOM 1086 CB ALA A 69 7.479 1.530 -3.052 1.00 2.16 C ATOM 0 H ALA A 69 9.599 0.038 -2.933 1.00 1.00 H new ATOM 0 HA ALA A 69 8.480 1.945 -4.883 1.00 1.34 H new ATOM 0 HB1 ALA A 69 6.899 2.453 -3.072 1.00 2.16 H new ATOM 0 HB2 ALA A 69 6.891 0.722 -3.487 1.00 2.16 H new ATOM 0 HB3 ALA A 69 7.730 1.281 -2.021 1.00 2.16 H new ATOM 1092 N TYR A 70 9.326 4.069 -3.840 1.00 1.18 N ATOM 1093 CA TYR A 70 10.045 5.266 -3.416 1.00 1.38 C ATOM 1094 C TYR A 70 9.104 6.248 -2.725 1.00 1.17 C ATOM 1095 O TYR A 70 7.924 6.333 -3.063 1.00 1.21 O ATOM 1096 CB TYR A 70 10.717 5.947 -4.617 1.00 1.97 C ATOM 1097 CG TYR A 70 11.025 5.012 -5.770 1.00 2.80 C ATOM 1098 CD1 TYR A 70 11.621 3.778 -5.549 1.00 3.47 C ATOM 1099 CD2 TYR A 70 10.716 5.366 -7.078 1.00 3.17 C ATOM 1100 CE1 TYR A 70 11.904 2.922 -6.598 1.00 4.42 C ATOM 1101 CE2 TYR A 70 10.995 4.516 -8.132 1.00 4.07 C ATOM 1102 CZ TYR A 70 11.588 3.296 -7.887 1.00 4.67 C ATOM 1103 OH TYR A 70 11.868 2.447 -8.934 1.00 5.65 O ATOM 0 H TYR A 70 8.630 4.232 -4.567 1.00 1.18 H new ATOM 0 HA TYR A 70 10.814 4.960 -2.707 1.00 1.38 H new ATOM 0 HB2 TYR A 70 10.069 6.747 -4.976 1.00 1.97 H new ATOM 0 HB3 TYR A 70 11.644 6.413 -4.284 1.00 1.97 H new ATOM 0 HD1 TYR A 70 11.868 3.481 -4.540 1.00 3.47 H new ATOM 0 HD2 TYR A 70 10.250 6.321 -7.274 1.00 3.17 H new ATOM 0 HE1 TYR A 70 12.370 1.966 -6.409 1.00 4.42 H new ATOM 0 HE2 TYR A 70 10.749 4.807 -9.143 1.00 4.07 H new ATOM 0 HH TYR A 70 11.582 2.860 -9.775 1.00 5.65 H new ATOM 1113 N VAL A 71 9.636 6.989 -1.757 1.00 1.69 N ATOM 1114 CA VAL A 71 8.843 7.967 -1.019 1.00 2.02 C ATOM 1115 C VAL A 71 8.663 9.250 -1.823 1.00 2.00 C ATOM 1116 O VAL A 71 9.620 9.778 -2.389 1.00 2.35 O ATOM 1117 CB VAL A 71 9.489 8.313 0.337 1.00 2.95 C ATOM 1118 CG1 VAL A 71 8.536 9.136 1.191 1.00 3.18 C ATOM 1119 CG2 VAL A 71 9.913 7.047 1.067 1.00 3.61 C ATOM 0 H VAL A 71 10.612 6.931 -1.466 1.00 1.69 H new ATOM 0 HA VAL A 71 7.869 7.511 -0.842 1.00 2.02 H new ATOM 0 HB VAL A 71 10.380 8.912 0.150 1.00 2.95 H new ATOM 0 HG11 VAL A 71 9.011 9.370 2.144 1.00 3.18 H new ATOM 0 HG12 VAL A 71 8.289 10.062 0.672 1.00 3.18 H new ATOM 0 HG13 VAL A 71 7.624 8.567 1.370 1.00 3.18 H new ATOM 0 HG21 VAL A 71 10.367 7.312 2.022 1.00 3.61 H new ATOM 0 HG22 VAL A 71 9.040 6.418 1.242 1.00 3.61 H new ATOM 0 HG23 VAL A 71 10.636 6.502 0.460 1.00 3.61 H new ATOM 1129 N GLY A 72 7.431 9.747 -1.866 1.00 1.84 N ATOM 1130 CA GLY A 72 7.148 10.966 -2.601 1.00 1.87 C ATOM 1131 C GLY A 72 6.125 10.763 -3.704 1.00 1.57 C ATOM 1132 O GLY A 72 5.560 11.730 -4.216 1.00 1.63 O ATOM 0 H GLY A 72 6.624 9.327 -1.405 1.00 1.84 H new ATOM 0 HA2 GLY A 72 6.784 11.726 -1.909 1.00 1.87 H new ATOM 0 HA3 GLY A 72 8.073 11.346 -3.035 1.00 1.87 H new ATOM 1136 N LYS A 73 5.886 9.508 -4.075 1.00 1.31 N ATOM 1137 CA LYS A 73 4.924 9.196 -5.127 1.00 1.09 C ATOM 1138 C LYS A 73 4.019 8.030 -4.720 1.00 0.83 C ATOM 1139 O LYS A 73 4.501 6.992 -4.267 1.00 0.79 O ATOM 1140 CB LYS A 73 5.658 8.852 -6.426 1.00 1.27 C ATOM 1141 CG LYS A 73 5.649 9.976 -7.449 1.00 1.59 C ATOM 1142 CD LYS A 73 4.232 10.380 -7.819 1.00 1.98 C ATOM 1143 CE LYS A 73 4.194 11.144 -9.132 1.00 2.32 C ATOM 1144 NZ LYS A 73 3.475 10.386 -10.193 1.00 2.96 N ATOM 0 H LYS A 73 6.343 8.694 -3.665 1.00 1.31 H new ATOM 0 HA LYS A 73 4.300 10.076 -5.285 1.00 1.09 H new ATOM 0 HB2 LYS A 73 6.691 8.594 -6.192 1.00 1.27 H new ATOM 0 HB3 LYS A 73 5.201 7.967 -6.868 1.00 1.27 H new ATOM 0 HG2 LYS A 73 6.182 10.838 -7.048 1.00 1.59 H new ATOM 0 HG3 LYS A 73 6.184 9.659 -8.344 1.00 1.59 H new ATOM 0 HD2 LYS A 73 3.608 9.490 -7.897 1.00 1.98 H new ATOM 0 HD3 LYS A 73 3.810 10.997 -7.026 1.00 1.98 H new ATOM 0 HE2 LYS A 73 3.705 12.106 -8.978 1.00 2.32 H new ATOM 0 HE3 LYS A 73 5.212 11.352 -9.461 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 3.471 10.940 -11.073 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 3.956 9.479 -10.358 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 2.496 10.209 -9.890 1.00 2.96 H new ATOM 1158 N PRO A 74 2.690 8.182 -4.882 1.00 0.75 N ATOM 1159 CA PRO A 74 1.721 7.133 -4.535 1.00 0.64 C ATOM 1160 C PRO A 74 2.092 5.784 -5.141 1.00 0.53 C ATOM 1161 O PRO A 74 2.937 5.710 -6.032 1.00 0.75 O ATOM 1162 CB PRO A 74 0.414 7.652 -5.133 1.00 0.77 C ATOM 1163 CG PRO A 74 0.571 9.130 -5.123 1.00 0.87 C ATOM 1164 CD PRO A 74 2.023 9.383 -5.421 1.00 0.91 C ATOM 0 HA PRO A 74 1.671 6.956 -3.461 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.261 7.274 -6.144 1.00 0.77 H new ATOM 0 HB3 PRO A 74 -0.447 7.339 -4.542 1.00 0.77 H new ATOM 0 HG2 PRO A 74 -0.070 9.598 -5.870 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.290 9.548 -4.156 1.00 0.87 H new ATOM 0 HD2 PRO A 74 2.201 9.497 -6.490 1.00 0.91 H new ATOM 0 HD3 PRO A 74 2.381 10.293 -4.939 1.00 0.91 H new ATOM 1172 N LEU A 75 1.468 4.717 -4.649 1.00 0.40 N ATOM 1173 CA LEU A 75 1.760 3.379 -5.150 1.00 0.49 C ATOM 1174 C LEU A 75 0.505 2.675 -5.667 1.00 0.46 C ATOM 1175 O LEU A 75 0.501 2.139 -6.775 1.00 0.62 O ATOM 1176 CB LEU A 75 2.403 2.548 -4.037 1.00 0.64 C ATOM 1177 CG LEU A 75 2.860 1.148 -4.445 1.00 0.86 C ATOM 1178 CD1 LEU A 75 3.975 0.667 -3.527 1.00 1.84 C ATOM 1179 CD2 LEU A 75 1.688 0.179 -4.418 1.00 1.32 C ATOM 0 H LEU A 75 0.764 4.752 -3.912 1.00 0.40 H new ATOM 0 HA LEU A 75 2.448 3.477 -5.989 1.00 0.49 H new ATOM 0 HB2 LEU A 75 3.263 3.094 -3.650 1.00 0.64 H new ATOM 0 HB3 LEU A 75 1.690 2.455 -3.218 1.00 0.64 H new ATOM 0 HG LEU A 75 3.247 1.190 -5.463 1.00 0.86 H new ATOM 0 HD11 LEU A 75 4.290 -0.332 -3.830 1.00 1.84 H new ATOM 0 HD12 LEU A 75 4.821 1.351 -3.594 1.00 1.84 H new ATOM 0 HD13 LEU A 75 3.613 0.637 -2.499 1.00 1.84 H new ATOM 0 HD21 LEU A 75 2.030 -0.814 -4.711 1.00 1.32 H new ATOM 0 HD22 LEU A 75 1.273 0.137 -3.411 1.00 1.32 H new ATOM 0 HD23 LEU A 75 0.920 0.518 -5.113 1.00 1.32 H new ATOM 1191 N VAL A 76 -0.557 2.673 -4.867 1.00 0.32 N ATOM 1192 CA VAL A 76 -1.805 2.024 -5.269 1.00 0.29 C ATOM 1193 C VAL A 76 -3.027 2.806 -4.798 1.00 0.27 C ATOM 1194 O VAL A 76 -3.006 3.419 -3.732 1.00 0.35 O ATOM 1195 CB VAL A 76 -1.887 0.585 -4.721 1.00 0.36 C ATOM 1196 CG1 VAL A 76 -1.732 0.583 -3.209 1.00 0.37 C ATOM 1197 CG2 VAL A 76 -3.196 -0.079 -5.131 1.00 0.47 C ATOM 0 H VAL A 76 -0.581 3.108 -3.945 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.804 1.997 -6.359 1.00 0.29 H new ATOM 0 HB VAL A 76 -1.069 0.008 -5.152 1.00 0.36 H new ATOM 0 HG11 VAL A 76 -1.792 -0.440 -2.838 1.00 0.37 H new ATOM 0 HG12 VAL A 76 -0.765 1.009 -2.942 1.00 0.37 H new ATOM 0 HG13 VAL A 76 -2.527 1.179 -2.761 1.00 0.37 H new ATOM 0 HG21 VAL A 76 -3.230 -1.093 -4.733 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -4.034 0.495 -4.736 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -3.261 -0.114 -6.218 1.00 0.47 H new ATOM 1207 N ASP A 77 -4.101 2.762 -5.586 1.00 0.30 N ATOM 1208 CA ASP A 77 -5.335 3.450 -5.230 1.00 0.41 C ATOM 1209 C ASP A 77 -6.401 2.442 -4.807 1.00 0.38 C ATOM 1210 O ASP A 77 -6.742 1.524 -5.559 1.00 0.41 O ATOM 1211 CB ASP A 77 -5.849 4.296 -6.397 1.00 0.58 C ATOM 1212 CG ASP A 77 -4.728 4.897 -7.226 1.00 0.78 C ATOM 1213 OD1 ASP A 77 -3.854 4.135 -7.689 1.00 1.10 O ATOM 1214 OD2 ASP A 77 -4.727 6.131 -7.411 1.00 0.87 O ATOM 0 H ASP A 77 -4.139 2.258 -6.472 1.00 0.30 H new ATOM 0 HA ASP A 77 -5.120 4.115 -4.393 1.00 0.41 H new ATOM 0 HB2 ASP A 77 -6.478 3.678 -7.038 1.00 0.58 H new ATOM 0 HB3 ASP A 77 -6.478 5.097 -6.010 1.00 0.58 H new ATOM 1219 N ILE A 78 -6.910 2.615 -3.593 1.00 0.44 N ATOM 1220 CA ILE A 78 -7.925 1.720 -3.044 1.00 0.42 C ATOM 1221 C ILE A 78 -9.043 2.511 -2.390 1.00 0.41 C ATOM 1222 O ILE A 78 -8.810 3.590 -1.857 1.00 0.51 O ATOM 1223 CB ILE A 78 -7.328 0.765 -1.992 1.00 0.42 C ATOM 1224 CG1 ILE A 78 -5.881 0.419 -2.347 1.00 0.53 C ATOM 1225 CG2 ILE A 78 -8.176 -0.490 -1.867 1.00 0.48 C ATOM 1226 CD1 ILE A 78 -4.877 1.364 -1.728 1.00 0.86 C ATOM 0 H ILE A 78 -6.635 3.371 -2.966 1.00 0.44 H new ATOM 0 HA ILE A 78 -8.316 1.138 -3.879 1.00 0.42 H new ATOM 0 HB ILE A 78 -7.329 1.267 -1.025 1.00 0.42 H new ATOM 0 HG12 ILE A 78 -5.665 -0.597 -2.018 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.765 0.434 -3.431 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.738 -1.152 -1.120 1.00 0.48 H new ATOM 0 HG22 ILE A 78 -9.187 -0.217 -1.563 1.00 0.48 H new ATOM 0 HG23 ILE A 78 -8.212 -1.002 -2.829 1.00 0.48 H new ATOM 0 HD11 ILE A 78 -3.870 1.065 -2.017 1.00 0.86 H new ATOM 0 HD12 ILE A 78 -5.069 2.379 -2.077 1.00 0.86 H new ATOM 0 HD13 ILE A 78 -4.967 1.331 -0.642 1.00 0.86 H new ATOM 1238 N GLU A 79 -10.253 1.973 -2.412 1.00 0.29 N ATOM 1239 CA GLU A 79 -11.380 2.656 -1.799 1.00 0.29 C ATOM 1240 C GLU A 79 -11.653 2.088 -0.416 1.00 0.47 C ATOM 1241 O GLU A 79 -12.013 0.925 -0.278 1.00 0.79 O ATOM 1242 CB GLU A 79 -12.626 2.525 -2.675 1.00 0.62 C ATOM 1243 CG GLU A 79 -13.293 3.855 -2.977 1.00 0.92 C ATOM 1244 CD GLU A 79 -14.469 3.715 -3.924 1.00 0.96 C ATOM 1245 OE1 GLU A 79 -14.240 3.409 -5.113 1.00 1.39 O ATOM 1246 OE2 GLU A 79 -15.618 3.909 -3.475 1.00 1.09 O ATOM 0 H GLU A 79 -10.478 1.076 -2.843 1.00 0.29 H new ATOM 0 HA GLU A 79 -11.131 3.713 -1.703 1.00 0.29 H new ATOM 0 HB2 GLU A 79 -12.352 2.043 -3.613 1.00 0.62 H new ATOM 0 HB3 GLU A 79 -13.343 1.872 -2.178 1.00 0.62 H new ATOM 0 HG2 GLU A 79 -13.633 4.307 -2.045 1.00 0.92 H new ATOM 0 HG3 GLU A 79 -12.560 4.535 -3.412 1.00 0.92 H new ATOM 1253 N THR A 80 -11.476 2.924 0.600 1.00 0.64 N ATOM 1254 CA THR A 80 -11.695 2.521 1.984 1.00 1.05 C ATOM 1255 C THR A 80 -12.460 3.600 2.736 1.00 1.00 C ATOM 1256 O THR A 80 -12.433 4.770 2.354 1.00 1.22 O ATOM 1257 CB THR A 80 -10.361 2.257 2.713 1.00 1.51 C ATOM 1258 OG1 THR A 80 -9.285 2.874 1.999 1.00 2.39 O ATOM 1259 CG2 THR A 80 -10.089 0.764 2.851 1.00 1.18 C ATOM 0 H THR A 80 -11.179 3.893 0.490 1.00 0.64 H new ATOM 0 HA THR A 80 -12.275 1.598 1.964 1.00 1.05 H new ATOM 0 HB THR A 80 -10.436 2.685 3.712 1.00 1.51 H new ATOM 0 HG1 THR A 80 -8.437 2.458 2.262 1.00 2.39 H new ATOM 0 HG21 THR A 80 -9.142 0.613 3.369 1.00 1.18 H new ATOM 0 HG22 THR A 80 -10.893 0.299 3.422 1.00 1.18 H new ATOM 0 HG23 THR A 80 -10.038 0.311 1.861 1.00 1.18 H new ATOM 1267 N GLU A 81 -13.142 3.210 3.806 1.00 1.27 N ATOM 1268 CA GLU A 81 -13.907 4.162 4.599 1.00 1.30 C ATOM 1269 C GLU A 81 -13.000 5.283 5.098 1.00 1.99 C ATOM 1270 O GLU A 81 -11.802 5.081 5.298 1.00 2.56 O ATOM 1271 CB GLU A 81 -14.573 3.458 5.784 1.00 1.53 C ATOM 1272 CG GLU A 81 -15.711 4.255 6.402 1.00 1.62 C ATOM 1273 CD GLU A 81 -17.004 3.467 6.474 1.00 2.40 C ATOM 1274 OE1 GLU A 81 -17.157 2.501 5.696 1.00 3.13 O ATOM 1275 OE2 GLU A 81 -17.866 3.815 7.309 1.00 2.85 O ATOM 0 H GLU A 81 -13.181 2.248 4.142 1.00 1.27 H new ATOM 0 HA GLU A 81 -14.684 4.592 3.967 1.00 1.30 H new ATOM 0 HB2 GLU A 81 -14.954 2.491 5.455 1.00 1.53 H new ATOM 0 HB3 GLU A 81 -13.821 3.261 6.548 1.00 1.53 H new ATOM 0 HG2 GLU A 81 -15.426 4.570 7.406 1.00 1.62 H new ATOM 0 HG3 GLU A 81 -15.874 5.161 5.818 1.00 1.62 H new ATOM 1282 N ALA A 82 -13.575 6.468 5.285 1.00 2.01 N ATOM 1283 CA ALA A 82 -12.820 7.633 5.747 1.00 2.67 C ATOM 1284 C ALA A 82 -11.822 7.269 6.845 1.00 3.02 C ATOM 1285 O ALA A 82 -12.210 6.940 7.966 1.00 3.10 O ATOM 1286 CB ALA A 82 -13.773 8.710 6.241 1.00 2.85 C ATOM 0 H ALA A 82 -14.566 6.649 5.123 1.00 2.01 H new ATOM 0 HA ALA A 82 -12.250 8.013 4.899 1.00 2.67 H new ATOM 0 HB1 ALA A 82 -13.201 9.573 6.583 1.00 2.85 H new ATOM 0 HB2 ALA A 82 -14.434 9.011 5.428 1.00 2.85 H new ATOM 0 HB3 ALA A 82 -14.368 8.319 7.066 1.00 2.85 H new ATOM 1292 N LEU A 83 -10.537 7.335 6.512 1.00 3.31 N ATOM 1293 CA LEU A 83 -9.482 7.018 7.468 1.00 3.73 C ATOM 1294 C LEU A 83 -8.508 8.184 7.614 1.00 4.31 C ATOM 1295 O LEU A 83 -7.908 8.632 6.637 1.00 4.31 O ATOM 1296 CB LEU A 83 -8.729 5.759 7.032 1.00 3.56 C ATOM 1297 CG LEU A 83 -8.661 4.650 8.084 1.00 3.51 C ATOM 1298 CD1 LEU A 83 -9.627 3.526 7.741 1.00 3.49 C ATOM 1299 CD2 LEU A 83 -7.242 4.115 8.204 1.00 3.60 C ATOM 0 H LEU A 83 -10.201 7.605 5.588 1.00 3.31 H new ATOM 0 HA LEU A 83 -9.948 6.836 8.436 1.00 3.73 H new ATOM 0 HB2 LEU A 83 -9.205 5.361 6.136 1.00 3.56 H new ATOM 0 HB3 LEU A 83 -7.713 6.039 6.755 1.00 3.56 H new ATOM 0 HG LEU A 83 -8.953 5.072 9.046 1.00 3.51 H new ATOM 0 HD11 LEU A 83 -9.564 2.747 8.501 1.00 3.49 H new ATOM 0 HD12 LEU A 83 -10.644 3.918 7.707 1.00 3.49 H new ATOM 0 HD13 LEU A 83 -9.367 3.107 6.769 1.00 3.49 H new ATOM 0 HD21 LEU A 83 -7.213 3.327 8.957 1.00 3.60 H new ATOM 0 HD22 LEU A 83 -6.923 3.711 7.243 1.00 3.60 H new ATOM 0 HD23 LEU A 83 -6.572 4.923 8.498 1.00 3.60 H new ATOM 1311 N LYS A 84 -8.354 8.668 8.843 1.00 4.85 N ATOM 1312 CA LYS A 84 -7.451 9.781 9.123 1.00 5.44 C ATOM 1313 C LYS A 84 -6.045 9.500 8.594 1.00 5.34 C ATOM 1314 O LYS A 84 -5.263 10.423 8.367 1.00 5.61 O ATOM 1315 CB LYS A 84 -7.394 10.052 10.628 1.00 6.29 C ATOM 1316 CG LYS A 84 -7.058 8.822 11.454 1.00 6.80 C ATOM 1317 CD LYS A 84 -6.495 9.202 12.815 1.00 7.13 C ATOM 1318 CE LYS A 84 -5.785 8.029 13.470 1.00 7.72 C ATOM 1319 NZ LYS A 84 -6.560 7.479 14.616 1.00 8.33 N ATOM 0 H LYS A 84 -8.843 8.307 9.662 1.00 4.85 H new ATOM 0 HA LYS A 84 -7.839 10.662 8.612 1.00 5.44 H new ATOM 0 HB2 LYS A 84 -6.650 10.824 10.822 1.00 6.29 H new ATOM 0 HB3 LYS A 84 -8.356 10.447 10.954 1.00 6.29 H new ATOM 0 HG2 LYS A 84 -7.954 8.215 11.586 1.00 6.80 H new ATOM 0 HG3 LYS A 84 -6.334 8.209 10.918 1.00 6.80 H new ATOM 0 HD2 LYS A 84 -5.799 10.034 12.703 1.00 7.13 H new ATOM 0 HD3 LYS A 84 -7.303 9.547 13.461 1.00 7.13 H new ATOM 0 HE2 LYS A 84 -5.624 7.244 12.731 1.00 7.72 H new ATOM 0 HE3 LYS A 84 -4.802 8.348 13.816 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 -6.041 6.681 15.035 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 -6.692 8.220 15.333 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 -7.489 7.151 14.282 1.00 8.33 H new ATOM 1333 N ASP A 85 -5.726 8.218 8.413 1.00 5.08 N ATOM 1334 CA ASP A 85 -4.409 7.805 7.924 1.00 5.19 C ATOM 1335 C ASP A 85 -3.895 8.725 6.814 1.00 4.88 C ATOM 1336 O ASP A 85 -2.761 9.199 6.869 1.00 5.42 O ATOM 1337 CB ASP A 85 -4.467 6.364 7.413 1.00 4.91 C ATOM 1338 CG ASP A 85 -3.227 5.571 7.775 1.00 5.75 C ATOM 1339 OD1 ASP A 85 -2.133 6.172 7.829 1.00 6.12 O ATOM 1340 OD2 ASP A 85 -3.349 4.349 8.006 1.00 6.23 O ATOM 0 H ASP A 85 -6.364 7.444 8.598 1.00 5.08 H new ATOM 0 HA ASP A 85 -3.715 7.873 8.761 1.00 5.19 H new ATOM 0 HB2 ASP A 85 -5.345 5.869 7.828 1.00 4.91 H new ATOM 0 HB3 ASP A 85 -4.587 6.370 6.330 1.00 4.91 H new ATOM 1345 N LEU A 86 -4.732 8.973 5.812 1.00 4.16 N ATOM 1346 CA LEU A 86 -4.348 9.836 4.698 1.00 3.99 C ATOM 1347 C LEU A 86 -5.225 11.084 4.642 1.00 4.35 C ATOM 1348 O LEU A 86 -4.793 12.135 4.169 1.00 4.39 O ATOM 1349 CB LEU A 86 -4.444 9.076 3.373 1.00 3.28 C ATOM 1350 CG LEU A 86 -3.510 9.578 2.269 1.00 2.93 C ATOM 1351 CD1 LEU A 86 -2.152 8.900 2.363 1.00 3.28 C ATOM 1352 CD2 LEU A 86 -4.130 9.341 0.900 1.00 2.54 C ATOM 0 H LEU A 86 -5.676 8.592 5.747 1.00 4.16 H new ATOM 0 HA LEU A 86 -3.315 10.146 4.858 1.00 3.99 H new ATOM 0 HB2 LEU A 86 -4.229 8.024 3.559 1.00 3.28 H new ATOM 0 HB3 LEU A 86 -5.471 9.133 3.013 1.00 3.28 H new ATOM 0 HG LEU A 86 -3.366 10.650 2.404 1.00 2.93 H new ATOM 0 HD11 LEU A 86 -1.504 9.271 1.569 1.00 3.28 H new ATOM 0 HD12 LEU A 86 -1.702 9.120 3.331 1.00 3.28 H new ATOM 0 HD13 LEU A 86 -2.275 7.822 2.256 1.00 3.28 H new ATOM 0 HD21 LEU A 86 -3.453 9.704 0.126 1.00 2.54 H new ATOM 0 HD22 LEU A 86 -4.304 8.274 0.759 1.00 2.54 H new ATOM 0 HD23 LEU A 86 -5.078 9.875 0.832 1.00 2.54 H new ATOM 1364 N GLU A 87 -6.454 10.963 5.129 1.00 4.90 N ATOM 1365 CA GLU A 87 -7.386 12.082 5.134 1.00 5.65 C ATOM 1366 C GLU A 87 -8.350 11.979 6.311 1.00 5.80 C ATOM 1367 O GLU A 87 -9.230 11.094 6.278 1.00 5.45 O ATOM 1368 CB GLU A 87 -8.167 12.128 3.819 1.00 6.27 C ATOM 1369 CG GLU A 87 -7.382 12.733 2.666 1.00 6.31 C ATOM 1370 CD GLU A 87 -8.264 13.499 1.700 1.00 7.17 C ATOM 1371 OE1 GLU A 87 -8.873 12.859 0.816 1.00 7.41 O ATOM 1372 OE2 GLU A 87 -8.346 14.738 1.827 1.00 7.79 O ATOM 0 H GLU A 87 -6.828 10.101 5.525 1.00 4.90 H new ATOM 0 HA GLU A 87 -6.812 13.003 5.238 1.00 5.65 H new ATOM 0 HB2 GLU A 87 -8.470 11.116 3.550 1.00 6.27 H new ATOM 0 HB3 GLU A 87 -9.080 12.705 3.968 1.00 6.27 H new ATOM 0 HG2 GLU A 87 -6.618 13.401 3.063 1.00 6.31 H new ATOM 0 HG3 GLU A 87 -6.864 11.939 2.128 1.00 6.31 H new TER 1379 GLU A 87