USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 387 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -50:sc= 0.368 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0684 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -2.03 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.989 -18.211 -4.129 0.01 0.01 N ATOM 2 CA ALA A 1 -3.300 -18.868 -4.374 1.00 0.00 C ATOM 3 C ALA A 1 -4.337 -17.840 -4.847 1.00 0.00 C ATOM 4 O ALA A 1 -4.558 -16.863 -4.144 1.00 0.00 O ATOM 5 CB ALA A 1 -3.796 -19.615 -3.115 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.299 -18.921 -3.810 0.01 0.01 H new ATOM 0 H2 ALA A 1 -1.651 -17.771 -5.009 0.01 0.01 H new ATOM 0 H3 ALA A 1 -2.098 -17.481 -3.397 0.01 0.01 H new ATOM 0 HA ALA A 1 -3.165 -19.607 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.757 -20.085 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.071 -20.380 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.910 -18.908 -2.294 1.00 0.00 H new ATOM 13 N LEU A 2 -4.977 -18.044 -6.004 1.00 0.00 N ATOM 14 CA LEU A 2 -6.125 -17.266 -6.527 1.00 0.00 C ATOM 15 C LEU A 2 -5.950 -15.720 -6.574 1.00 0.00 C ATOM 16 O LEU A 2 -6.336 -14.988 -5.662 1.00 0.00 O ATOM 17 CB LEU A 2 -7.418 -17.755 -5.825 1.00 0.00 C ATOM 18 CG LEU A 2 -8.569 -18.051 -6.806 1.00 0.00 C ATOM 19 CD1 LEU A 2 -9.474 -19.152 -6.258 1.00 0.00 C ATOM 20 CD2 LEU A 2 -9.426 -16.817 -7.085 1.00 0.00 C ATOM 0 H LEU A 2 -4.700 -18.792 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.198 -17.476 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.195 -18.657 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.744 -16.999 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.103 -18.370 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.280 -19.346 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.892 -20.062 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.896 -18.835 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.223 -17.077 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.862 -16.458 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.805 -16.034 -7.520 1.00 0.00 H new ATOM 32 N VAL A 3 -5.350 -15.220 -7.664 1.00 0.00 N ATOM 33 CA VAL A 3 -4.912 -13.807 -7.843 1.00 0.00 C ATOM 34 C VAL A 3 -3.957 -13.343 -6.718 1.00 0.00 C ATOM 35 O VAL A 3 -3.925 -12.175 -6.334 1.00 0.00 O ATOM 36 CB VAL A 3 -6.107 -12.842 -8.104 1.00 0.00 C ATOM 37 CG1 VAL A 3 -5.671 -11.457 -8.624 1.00 0.00 C ATOM 38 CG2 VAL A 3 -7.073 -13.450 -9.142 1.00 0.00 C ATOM 0 H VAL A 3 -5.144 -15.798 -8.479 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.317 -13.768 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.593 -12.710 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.552 -10.835 -8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.020 -10.981 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.133 -11.574 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.902 -12.764 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.542 -13.618 -10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.458 -14.399 -8.768 1.00 0.00 H new ATOM 48 N ASP A 4 -3.160 -14.287 -6.190 1.00 0.00 N ATOM 49 CA ASP A 4 -2.321 -14.171 -4.982 1.00 0.00 C ATOM 50 C ASP A 4 -3.060 -13.573 -3.772 1.00 0.00 C ATOM 51 O ASP A 4 -3.065 -12.368 -3.567 1.00 0.00 O ATOM 52 CB ASP A 4 -1.011 -13.413 -5.289 1.00 0.00 C ATOM 53 CG ASP A 4 -0.017 -14.205 -6.162 1.00 0.00 C ATOM 54 OD1 ASP A 4 0.502 -15.243 -5.683 1.00 0.00 O ATOM 55 OD2 ASP A 4 0.259 -13.776 -7.309 1.00 0.00 O ATOM 0 H ASP A 4 -3.078 -15.208 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.066 -15.189 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.254 -12.477 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.525 -13.153 -4.349 1.00 0.00 H new ATOM 60 N GLU A 5 -3.643 -14.424 -2.922 1.00 0.00 N ATOM 61 CA GLU A 5 -4.318 -14.074 -1.649 1.00 0.00 C ATOM 62 C GLU A 5 -3.529 -13.100 -0.771 1.00 0.00 C ATOM 63 O GLU A 5 -4.111 -12.164 -0.231 1.00 0.00 O ATOM 64 CB GLU A 5 -4.636 -15.348 -0.842 1.00 0.00 C ATOM 65 CG GLU A 5 -6.120 -15.714 -0.827 1.00 0.00 C ATOM 66 CD GLU A 5 -6.833 -15.038 0.339 1.00 0.00 C ATOM 67 OE1 GLU A 5 -7.341 -13.909 0.162 1.00 0.00 O ATOM 68 OE2 GLU A 5 -6.905 -15.657 1.425 1.00 0.00 O ATOM 0 H GLU A 5 -3.663 -15.427 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.236 -13.562 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.070 -16.181 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.295 -15.212 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.583 -15.412 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.232 -16.796 -0.750 1.00 0.00 H new ATOM 75 N VAL A 6 -2.204 -13.264 -0.686 1.00 0.00 N ATOM 76 CA VAL A 6 -1.301 -12.285 -0.040 1.00 0.00 C ATOM 77 C VAL A 6 -1.412 -10.908 -0.695 1.00 0.00 C ATOM 78 O VAL A 6 -1.664 -9.918 -0.008 1.00 0.00 O ATOM 79 CB VAL A 6 0.171 -12.749 -0.083 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.173 -11.657 0.325 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.363 -13.944 0.858 1.00 0.00 C ATOM 0 H VAL A 6 -1.720 -14.079 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.617 -12.214 1.001 1.00 0.00 H new ATOM 0 HB VAL A 6 0.373 -13.014 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.186 -12.055 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.080 -10.807 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.964 -11.334 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.403 -14.269 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.106 -13.651 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.283 -14.763 0.543 1.00 0.00 H new ATOM 91 N LYS A 7 -1.266 -10.851 -2.022 1.00 0.00 N ATOM 92 CA LYS A 7 -1.409 -9.624 -2.801 1.00 0.00 C ATOM 93 C LYS A 7 -2.785 -8.982 -2.549 1.00 0.00 C ATOM 94 O LYS A 7 -2.832 -7.810 -2.206 1.00 0.00 O ATOM 95 CB LYS A 7 -1.156 -9.912 -4.297 1.00 0.00 C ATOM 96 CG LYS A 7 -0.647 -8.682 -5.065 1.00 0.00 C ATOM 97 CD LYS A 7 -0.624 -8.865 -6.594 1.00 0.00 C ATOM 98 CE LYS A 7 0.278 -10.020 -7.053 1.00 0.00 C ATOM 99 NZ LYS A 7 0.194 -10.243 -8.514 1.00 0.00 N ATOM 0 H LYS A 7 -1.042 -11.668 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.659 -8.901 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.428 -10.718 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.080 -10.264 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.278 -7.827 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.360 -8.443 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.640 -9.044 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.283 -7.940 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.311 -9.805 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.008 -10.933 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.818 -11.031 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.786 -10.474 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.491 -9.381 -9.014 1.00 0.00 H new ATOM 113 N ASP A 8 -3.895 -9.732 -2.628 1.00 0.00 N ATOM 114 CA ASP A 8 -5.272 -9.237 -2.426 1.00 0.00 C ATOM 115 C ASP A 8 -5.511 -8.634 -1.027 1.00 0.00 C ATOM 116 O ASP A 8 -6.096 -7.557 -0.903 1.00 0.00 O ATOM 117 CB ASP A 8 -6.278 -10.371 -2.729 1.00 0.00 C ATOM 118 CG ASP A 8 -7.502 -9.886 -3.535 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.409 -9.801 -4.784 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.562 -9.604 -2.925 1.00 0.00 O ATOM 0 H ASP A 8 -3.862 -10.729 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.426 -8.414 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.772 -11.160 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.617 -10.810 -1.791 1.00 0.00 H new ATOM 125 N MET A 9 -5.008 -9.279 0.027 1.00 0.00 N ATOM 126 CA MET A 9 -5.070 -8.772 1.410 1.00 0.00 C ATOM 127 C MET A 9 -4.280 -7.457 1.597 1.00 0.00 C ATOM 128 O MET A 9 -4.784 -6.470 2.135 1.00 0.00 O ATOM 129 CB MET A 9 -4.530 -9.849 2.374 1.00 0.00 C ATOM 130 CG MET A 9 -5.358 -9.925 3.656 1.00 0.00 C ATOM 131 SD MET A 9 -6.926 -10.819 3.429 1.00 0.00 S ATOM 132 CE MET A 9 -8.123 -9.693 4.194 1.00 0.00 C ATOM 0 H MET A 9 -4.538 -10.181 -0.051 1.00 0.00 H new ATOM 0 HA MET A 9 -6.114 -8.551 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.538 -10.819 1.877 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.492 -9.627 2.623 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.773 -10.418 4.433 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.568 -8.915 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.123 -10.122 4.123 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.865 -9.546 5.243 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.102 -8.734 3.677 1.00 0.00 H new ATOM 142 N GLU A 10 -3.042 -7.448 1.095 1.00 0.00 N ATOM 143 CA GLU A 10 -2.177 -6.251 1.053 1.00 0.00 C ATOM 144 C GLU A 10 -2.793 -5.123 0.220 1.00 0.00 C ATOM 145 O GLU A 10 -2.784 -3.978 0.646 1.00 0.00 O ATOM 146 CB GLU A 10 -0.757 -6.570 0.568 1.00 0.00 C ATOM 147 CG GLU A 10 0.274 -6.709 1.693 1.00 0.00 C ATOM 148 CD GLU A 10 -0.077 -7.786 2.716 1.00 0.00 C ATOM 149 OE1 GLU A 10 -0.777 -7.469 3.706 1.00 0.00 O ATOM 150 OE2 GLU A 10 0.419 -8.925 2.576 1.00 0.00 O ATOM 0 H GLU A 10 -2.601 -8.279 0.700 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.100 -5.902 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.780 -7.497 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.432 -5.783 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.246 -6.938 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.372 -5.752 2.205 1.00 0.00 H new ATOM 157 N ILE A 11 -3.455 -5.431 -0.891 1.00 0.00 N ATOM 158 CA ILE A 11 -4.201 -4.464 -1.714 1.00 0.00 C ATOM 159 C ILE A 11 -5.373 -3.841 -0.924 1.00 0.00 C ATOM 160 O ILE A 11 -5.609 -2.635 -1.008 1.00 0.00 O ATOM 161 CB ILE A 11 -4.710 -5.169 -2.996 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.553 -5.416 -3.984 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.839 -4.377 -3.685 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.849 -6.547 -4.986 1.00 0.00 C ATOM 0 H ILE A 11 -3.493 -6.381 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.533 -3.649 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.122 -6.130 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.348 -4.497 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.650 -5.661 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.164 -4.910 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.680 -4.271 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.472 -3.389 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.997 -6.673 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.025 -7.476 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.734 -6.294 -5.570 1.00 0.00 H new ATOM 176 N ALA A 12 -6.092 -4.628 -0.118 1.00 0.00 N ATOM 177 CA ALA A 12 -7.151 -4.111 0.758 1.00 0.00 C ATOM 178 C ALA A 12 -6.610 -3.072 1.770 1.00 0.00 C ATOM 179 O ALA A 12 -7.263 -2.069 2.071 1.00 0.00 O ATOM 180 CB ALA A 12 -7.843 -5.281 1.465 1.00 0.00 C ATOM 0 H ALA A 12 -5.958 -5.637 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.883 -3.585 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.630 -4.899 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.279 -5.949 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.113 -5.829 2.061 1.00 0.00 H new ATOM 186 N ARG A 13 -5.370 -3.258 2.233 1.00 0.00 N ATOM 187 CA ARG A 13 -4.639 -2.267 3.018 1.00 0.00 C ATOM 188 C ARG A 13 -4.452 -0.926 2.274 1.00 0.00 C ATOM 189 O ARG A 13 -4.721 0.123 2.857 1.00 0.00 O ATOM 190 CB ARG A 13 -3.298 -2.877 3.472 1.00 0.00 C ATOM 191 CG ARG A 13 -3.237 -3.068 4.990 1.00 0.00 C ATOM 192 CD ARG A 13 -4.178 -4.191 5.437 1.00 0.00 C ATOM 193 NE ARG A 13 -4.225 -4.289 6.905 1.00 0.00 N ATOM 194 CZ ARG A 13 -3.985 -5.353 7.654 1.00 0.00 C ATOM 195 NH1 ARG A 13 -3.572 -6.489 7.156 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.164 -5.291 8.944 1.00 0.00 N ATOM 0 H ARG A 13 -4.841 -4.115 2.069 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.234 -2.017 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.153 -3.839 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.480 -2.230 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.216 -3.302 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.511 -2.138 5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.180 -4.006 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.843 -5.139 5.016 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.472 -3.435 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.422 -6.581 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.400 -7.283 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.488 -4.424 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.980 -6.109 9.524 1.00 0.00 H new ATOM 210 N LEU A 14 -4.093 -0.930 0.983 1.00 0.00 N ATOM 211 CA LEU A 14 -3.955 0.295 0.170 1.00 0.00 C ATOM 212 C LEU A 14 -5.267 1.094 0.063 1.00 0.00 C ATOM 213 O LEU A 14 -5.247 2.322 0.146 1.00 0.00 O ATOM 214 CB LEU A 14 -3.435 -0.059 -1.235 1.00 0.00 C ATOM 215 CG LEU A 14 -1.941 -0.403 -1.366 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.115 0.842 -1.664 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.308 -1.119 -0.178 1.00 0.00 C ATOM 0 H LEU A 14 -3.888 -1.786 0.467 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.236 0.935 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.011 -0.908 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.647 0.782 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.924 -1.111 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.063 0.569 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.453 1.288 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.237 1.562 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.255 -1.308 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.396 -0.495 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.820 -2.066 -0.009 1.00 0.00 H new ATOM 229 N MET A 15 -6.415 0.417 -0.047 1.00 0.00 N ATOM 230 CA MET A 15 -7.737 1.063 0.008 1.00 0.00 C ATOM 231 C MET A 15 -7.959 1.808 1.340 1.00 0.00 C ATOM 232 O MET A 15 -8.498 2.917 1.348 1.00 0.00 O ATOM 233 CB MET A 15 -8.823 -0.003 -0.231 1.00 0.00 C ATOM 234 CG MET A 15 -10.225 0.571 -0.461 1.00 0.00 C ATOM 235 SD MET A 15 -11.183 0.970 1.033 1.00 0.00 S ATOM 236 CE MET A 15 -11.818 2.610 0.584 1.00 0.00 C ATOM 0 H MET A 15 -6.457 -0.594 -0.177 1.00 0.00 H new ATOM 0 HA MET A 15 -7.794 1.819 -0.775 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.542 -0.604 -1.096 1.00 0.00 H new ATOM 0 HB3 MET A 15 -8.853 -0.674 0.628 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.131 1.477 -1.060 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.796 -0.145 -1.053 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.430 2.999 1.398 1.00 0.00 H new ATOM 0 HE2 MET A 15 -10.983 3.286 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 15 -12.423 2.531 -0.319 1.00 0.00 H new ATOM 246 N SER A 16 -7.468 1.261 2.457 1.00 0.00 N ATOM 247 CA SER A 16 -7.547 1.916 3.771 1.00 0.00 C ATOM 248 C SER A 16 -6.784 3.260 3.852 1.00 0.00 C ATOM 249 O SER A 16 -7.226 4.169 4.560 1.00 0.00 O ATOM 250 CB SER A 16 -7.065 0.962 4.879 1.00 0.00 C ATOM 251 OG SER A 16 -7.997 0.906 5.949 1.00 0.00 O ATOM 0 H SER A 16 -7.005 0.353 2.478 1.00 0.00 H new ATOM 0 HA SER A 16 -8.600 2.157 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.921 -0.036 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.097 1.295 5.253 1.00 0.00 H new ATOM 0 HG SER A 16 -7.667 0.292 6.638 1.00 0.00 H new ATOM 257 N LEU A 17 -5.679 3.442 3.110 1.00 0.00 N ATOM 258 CA LEU A 17 -4.955 4.713 2.985 1.00 0.00 C ATOM 259 C LEU A 17 -5.530 5.706 1.934 1.00 0.00 C ATOM 260 O LEU A 17 -4.973 6.797 1.781 1.00 0.00 O ATOM 261 CB LEU A 17 -3.479 4.420 2.641 1.00 0.00 C ATOM 262 CG LEU A 17 -2.634 3.839 3.788 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.786 2.345 4.000 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.172 4.278 3.632 1.00 0.00 C ATOM 0 H LEU A 17 -5.256 2.689 2.568 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.066 5.208 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.451 3.723 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.013 5.345 2.302 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.030 4.259 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.152 2.029 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.826 2.114 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.489 1.817 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.579 3.864 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.783 3.917 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.114 5.366 3.658 1.00 0.00 H new ATOM 276 N GLY A 18 -6.607 5.388 1.199 1.00 0.00 N ATOM 277 CA GLY A 18 -7.150 6.273 0.157 1.00 0.00 C ATOM 278 C GLY A 18 -6.323 6.250 -1.135 1.00 0.00 C ATOM 279 O GLY A 18 -5.484 7.124 -1.361 1.00 0.00 O ATOM 0 H GLY A 18 -7.123 4.515 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.174 5.976 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.191 7.293 0.539 1.00 0.00 H new ATOM 283 N LEU A 19 -6.588 5.247 -1.978 1.00 0.00 N ATOM 284 CA LEU A 19 -5.927 5.026 -3.276 1.00 0.00 C ATOM 285 C LEU A 19 -6.902 4.485 -4.360 1.00 0.00 C ATOM 286 O LEU A 19 -8.070 4.209 -4.071 1.00 0.00 O ATOM 287 CB LEU A 19 -4.746 4.070 -3.041 1.00 0.00 C ATOM 288 CG LEU A 19 -3.564 4.760 -2.341 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.546 3.729 -1.909 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.856 5.784 -3.242 1.00 0.00 C ATOM 0 H LEU A 19 -7.293 4.539 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.570 5.978 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.080 3.226 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.413 3.666 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.979 5.288 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.712 4.226 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.011 3.026 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.180 3.190 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.030 6.240 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.471 5.283 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.564 6.557 -3.540 1.00 0.00 H new ATOM 302 N SER A 20 -6.427 4.362 -5.607 1.00 0.00 N ATOM 303 CA SER A 20 -7.140 3.794 -6.772 1.00 0.00 C ATOM 304 C SER A 20 -7.463 2.285 -6.614 1.00 0.00 C ATOM 305 O SER A 20 -7.308 1.731 -5.522 1.00 0.00 O ATOM 306 CB SER A 20 -6.259 4.014 -8.018 1.00 0.00 C ATOM 307 OG SER A 20 -5.800 5.355 -8.112 1.00 0.00 O ATOM 0 H SER A 20 -5.485 4.671 -5.849 1.00 0.00 H new ATOM 0 HA SER A 20 -8.101 4.301 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.404 3.339 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.827 3.761 -8.913 1.00 0.00 H new ATOM 0 HG SER A 20 -5.244 5.455 -8.913 1.00 0.00 H new ATOM 313 N ILE A 21 -7.859 1.563 -7.678 1.00 0.00 N ATOM 314 CA ILE A 21 -8.083 0.102 -7.609 1.00 0.00 C ATOM 315 C ILE A 21 -6.910 -0.682 -8.231 1.00 0.00 C ATOM 316 O ILE A 21 -6.032 -1.121 -7.493 1.00 0.00 O ATOM 317 CB ILE A 21 -9.445 -0.234 -8.268 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.621 0.522 -7.595 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.744 -1.745 -8.238 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.620 1.046 -8.631 1.00 0.00 C ATOM 0 H ILE A 21 -8.032 1.966 -8.599 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.123 -0.211 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.359 0.093 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.132 -0.144 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.232 1.355 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.708 -1.935 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.964 -2.281 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.772 -2.090 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.430 1.570 -8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.114 1.732 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.028 0.210 -9.198 1.00 0.00 H new ATOM 332 N GLU A 22 -6.841 -0.810 -9.567 1.00 0.00 N ATOM 333 CA GLU A 22 -5.818 -1.635 -10.266 1.00 0.00 C ATOM 334 C GLU A 22 -4.464 -0.935 -10.319 1.00 0.00 C ATOM 335 O GLU A 22 -3.427 -1.554 -10.087 1.00 0.00 O ATOM 336 CB GLU A 22 -6.276 -2.034 -11.685 1.00 0.00 C ATOM 337 CG GLU A 22 -6.383 -3.554 -11.874 1.00 0.00 C ATOM 338 CD GLU A 22 -7.605 -3.911 -12.713 1.00 0.00 C ATOM 339 OE1 GLU A 22 -8.717 -3.982 -12.143 1.00 0.00 O ATOM 340 OE2 GLU A 22 -7.450 -4.139 -13.934 1.00 0.00 O ATOM 0 H GLU A 22 -7.491 -0.346 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.702 -2.547 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.245 -1.579 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.574 -1.631 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.482 -3.929 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.449 -4.042 -10.902 1.00 0.00 H new ATOM 347 N GLU A 23 -4.480 0.383 -10.538 1.00 0.00 N ATOM 348 CA GLU A 23 -3.281 1.229 -10.398 1.00 0.00 C ATOM 349 C GLU A 23 -2.739 1.190 -8.971 1.00 0.00 C ATOM 350 O GLU A 23 -1.543 0.990 -8.799 1.00 0.00 O ATOM 351 CB GLU A 23 -3.541 2.674 -10.833 1.00 0.00 C ATOM 352 CG GLU A 23 -2.259 3.490 -11.015 1.00 0.00 C ATOM 353 CD GLU A 23 -1.464 3.018 -12.230 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.840 3.389 -13.364 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.451 2.306 -12.048 1.00 0.00 O ATOM 0 H GLU A 23 -5.317 0.896 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.526 0.815 -11.066 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.097 2.670 -11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.172 3.162 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.511 4.544 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.642 3.406 -10.120 1.00 0.00 H new ATOM 362 N ALA A 24 -3.598 1.281 -7.946 1.00 0.00 N ATOM 363 CA ALA A 24 -3.163 1.095 -6.559 1.00 0.00 C ATOM 364 C ALA A 24 -2.469 -0.256 -6.327 1.00 0.00 C ATOM 365 O ALA A 24 -1.408 -0.263 -5.713 1.00 0.00 O ATOM 366 CB ALA A 24 -4.316 1.270 -5.579 1.00 0.00 C ATOM 0 H ALA A 24 -4.592 1.481 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.426 1.876 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.954 1.124 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.728 2.274 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.093 0.537 -5.796 1.00 0.00 H new ATOM 372 N THR A 25 -2.987 -1.383 -6.836 1.00 0.00 N ATOM 373 CA THR A 25 -2.313 -2.685 -6.650 1.00 0.00 C ATOM 374 C THR A 25 -0.898 -2.757 -7.239 1.00 0.00 C ATOM 375 O THR A 25 0.015 -3.316 -6.621 1.00 0.00 O ATOM 376 CB THR A 25 -3.112 -3.894 -7.199 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.947 -4.157 -8.575 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.620 -3.807 -6.974 1.00 0.00 C ATOM 0 H THR A 25 -3.854 -1.425 -7.371 1.00 0.00 H new ATOM 0 HA THR A 25 -2.251 -2.753 -5.564 1.00 0.00 H new ATOM 0 HB THR A 25 -2.672 -4.700 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.082 -3.331 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.101 -4.693 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.826 -3.749 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.011 -2.917 -7.468 1.00 0.00 H new ATOM 386 N GLU A 26 -0.682 -2.164 -8.420 1.00 0.00 N ATOM 387 CA GLU A 26 0.648 -2.130 -9.053 1.00 0.00 C ATOM 388 C GLU A 26 1.575 -1.157 -8.341 1.00 0.00 C ATOM 389 O GLU A 26 2.736 -1.481 -8.124 1.00 0.00 O ATOM 390 CB GLU A 26 0.563 -1.755 -10.541 1.00 0.00 C ATOM 391 CG GLU A 26 0.701 -2.998 -11.418 1.00 0.00 C ATOM 392 CD GLU A 26 0.886 -2.587 -12.872 1.00 0.00 C ATOM 393 OE1 GLU A 26 2.044 -2.322 -13.269 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.116 -2.552 -13.619 1.00 0.00 O ATOM 0 H GLU A 26 -1.412 -1.699 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 26 1.056 -3.137 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.389 -1.264 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.349 -1.041 -10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.552 -3.594 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.185 -3.625 -11.318 1.00 0.00 H new ATOM 401 N PHE A 27 1.059 0.002 -7.938 1.00 0.00 N ATOM 402 CA PHE A 27 1.792 1.024 -7.193 1.00 0.00 C ATOM 403 C PHE A 27 2.299 0.507 -5.839 1.00 0.00 C ATOM 404 O PHE A 27 3.466 0.698 -5.508 1.00 0.00 O ATOM 405 CB PHE A 27 0.894 2.249 -6.986 1.00 0.00 C ATOM 406 CG PHE A 27 1.655 3.508 -6.629 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.276 4.228 -7.668 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.747 3.972 -5.298 1.00 0.00 C ATOM 409 CE1 PHE A 27 2.961 5.421 -7.393 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.381 5.199 -5.040 1.00 0.00 C ATOM 411 CZ PHE A 27 2.991 5.922 -6.080 1.00 0.00 C ATOM 0 H PHE A 27 0.091 0.264 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 27 2.668 1.298 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.322 2.427 -7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.176 2.033 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.225 3.860 -8.682 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.334 3.390 -4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.464 5.953 -8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.400 5.590 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.482 6.861 -5.870 1.00 0.00 H new ATOM 421 N TYR A 28 1.450 -0.210 -5.095 1.00 0.00 N ATOM 422 CA TYR A 28 1.819 -0.921 -3.866 1.00 0.00 C ATOM 423 C TYR A 28 3.055 -1.797 -4.090 1.00 0.00 C ATOM 424 O TYR A 28 4.111 -1.534 -3.511 1.00 0.00 O ATOM 425 CB TYR A 28 0.602 -1.695 -3.317 1.00 0.00 C ATOM 426 CG TYR A 28 0.760 -3.144 -2.914 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.570 -3.470 -1.817 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.055 -4.163 -3.580 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.763 -4.814 -1.466 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.263 -5.507 -3.230 1.00 0.00 C ATOM 431 CZ TYR A 28 1.153 -5.838 -2.204 1.00 0.00 C ATOM 432 OH TYR A 28 1.378 -7.148 -1.901 1.00 0.00 O ATOM 0 H TYR A 28 0.464 -0.315 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 28 2.104 -0.201 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.236 -1.152 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.182 -1.650 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.044 -2.688 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.647 -3.911 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.387 -5.062 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.267 -6.288 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 28 1.558 -7.236 -0.942 1.00 0.00 H new ATOM 442 N GLU A 29 2.952 -2.772 -5.001 1.00 0.00 N ATOM 443 CA GLU A 29 4.047 -3.702 -5.344 1.00 0.00 C ATOM 444 C GLU A 29 5.294 -3.065 -5.983 1.00 0.00 C ATOM 445 O GLU A 29 6.384 -3.622 -5.859 1.00 0.00 O ATOM 446 CB GLU A 29 3.492 -4.813 -6.254 1.00 0.00 C ATOM 447 CG GLU A 29 3.309 -6.157 -5.540 1.00 0.00 C ATOM 448 CD GLU A 29 4.386 -7.140 -5.980 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.172 -7.830 -7.003 1.00 0.00 O ATOM 450 OE2 GLU A 29 5.433 -7.231 -5.301 1.00 0.00 O ATOM 0 H GLU A 29 2.097 -2.944 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 29 4.405 -4.097 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.532 -4.493 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.166 -4.949 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.358 -6.013 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.323 -6.564 -5.763 1.00 0.00 H new ATOM 457 N ASN A 30 5.174 -1.899 -6.629 1.00 0.00 N ATOM 458 CA ASN A 30 6.304 -1.158 -7.225 1.00 0.00 C ATOM 459 C ASN A 30 7.009 -0.184 -6.258 1.00 0.00 C ATOM 460 O ASN A 30 8.166 0.186 -6.487 1.00 0.00 O ATOM 461 CB ASN A 30 5.835 -0.364 -8.460 1.00 0.00 C ATOM 462 CG ASN A 30 6.222 -1.063 -9.749 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.371 -1.024 -10.173 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.290 -1.718 -10.410 1.00 0.00 N ATOM 0 H ASN A 30 4.276 -1.432 -6.757 1.00 0.00 H new ATOM 0 HA ASN A 30 7.031 -1.923 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.753 -0.238 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.273 0.634 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.523 -2.197 -11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.335 -1.747 -10.052 1.00 0.00 H new ATOM 471 N ASP A 31 6.331 0.220 -5.183 1.00 0.00 N ATOM 472 CA ASP A 31 6.920 1.040 -4.116 1.00 0.00 C ATOM 473 C ASP A 31 7.643 0.125 -3.121 1.00 0.00 C ATOM 474 O ASP A 31 8.822 0.329 -2.835 1.00 0.00 O ATOM 475 CB ASP A 31 5.807 1.845 -3.407 1.00 0.00 C ATOM 476 CG ASP A 31 5.339 3.124 -4.142 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.664 3.340 -5.337 1.00 0.00 O ATOM 478 OD2 ASP A 31 4.688 3.953 -3.469 1.00 0.00 O ATOM 0 H ASP A 31 5.351 -0.013 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 31 7.639 1.742 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.945 1.193 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.161 2.126 -2.415 1.00 0.00 H new ATOM 483 N VAL A 32 6.891 -0.889 -2.682 1.00 0.00 N ATOM 484 CA VAL A 32 7.218 -1.868 -1.609 1.00 0.00 C ATOM 485 C VAL A 32 6.111 -2.901 -1.243 1.00 0.00 C ATOM 486 O VAL A 32 5.681 -3.685 -2.088 1.00 0.00 O ATOM 487 CB VAL A 32 7.766 -1.106 -0.369 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.672 -0.179 0.202 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.461 -2.000 0.670 1.00 0.00 C ATOM 0 H VAL A 32 5.972 -1.071 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 32 7.990 -2.515 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 32 8.586 -0.471 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.062 0.352 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.372 0.541 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.809 -0.775 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.812 -1.387 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.755 -2.743 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.309 -2.504 0.207 1.00 0.00 H new ATOM 499 N THR A 33 5.682 -2.924 0.027 1.00 0.00 N ATOM 500 CA THR A 33 4.840 -3.929 0.685 1.00 0.00 C ATOM 501 C THR A 33 3.637 -3.324 1.423 1.00 0.00 C ATOM 502 O THR A 33 2.581 -3.945 1.434 1.00 0.00 O ATOM 503 CB THR A 33 5.702 -4.590 1.790 1.00 0.00 C ATOM 504 OG1 THR A 33 6.922 -5.072 1.267 1.00 0.00 O ATOM 505 CG2 THR A 33 5.059 -5.719 2.606 1.00 0.00 C ATOM 0 H THR A 33 5.937 -2.177 0.673 1.00 0.00 H new ATOM 0 HA THR A 33 4.480 -4.607 -0.089 1.00 0.00 H new ATOM 0 HB THR A 33 5.843 -3.766 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.447 -5.482 1.986 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.773 -6.089 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.175 -5.340 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.772 -6.532 1.939 1.00 0.00 H new ATOM 513 N TYR A 34 3.767 -2.150 2.066 1.00 0.00 N ATOM 514 CA TYR A 34 2.780 -1.483 2.933 1.00 0.00 C ATOM 515 C TYR A 34 3.428 -0.330 3.732 1.00 0.00 C ATOM 516 O TYR A 34 3.401 0.817 3.296 1.00 0.00 O ATOM 517 CB TYR A 34 1.996 -2.409 3.864 1.00 0.00 C ATOM 518 CG TYR A 34 0.977 -1.652 4.688 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.211 -1.202 4.086 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.241 -1.344 6.032 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.162 -0.504 4.850 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.285 -0.650 6.798 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.927 -0.248 6.209 1.00 0.00 C ATOM 524 OH TYR A 34 -1.878 0.393 6.945 1.00 0.00 O ATOM 0 H TYR A 34 4.625 -1.604 1.988 1.00 0.00 H new ATOM 0 HA TYR A 34 2.039 -1.082 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.490 -3.173 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.688 -2.926 4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.393 -1.392 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.179 -1.640 6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.077 -0.163 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.482 -0.427 7.836 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.564 0.494 7.868 1.00 0.00 H new ATOM 534 N GLU A 35 4.076 -0.624 4.869 1.00 0.00 N ATOM 535 CA GLU A 35 4.528 0.422 5.820 1.00 0.00 C ATOM 536 C GLU A 35 5.613 1.341 5.266 1.00 0.00 C ATOM 537 O GLU A 35 5.639 2.527 5.585 1.00 0.00 O ATOM 538 CB GLU A 35 4.995 -0.166 7.162 1.00 0.00 C ATOM 539 CG GLU A 35 4.208 0.449 8.319 1.00 0.00 C ATOM 540 CD GLU A 35 4.883 0.143 9.649 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.877 0.826 9.982 1.00 0.00 O ATOM 542 OE2 GLU A 35 4.407 -0.763 10.369 1.00 0.00 O ATOM 0 H GLU A 35 4.302 -1.575 5.159 1.00 0.00 H new ATOM 0 HA GLU A 35 3.638 1.030 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.861 -1.248 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.060 0.023 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.134 1.528 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.191 0.057 8.323 1.00 0.00 H new ATOM 549 N ARG A 36 6.470 0.810 4.392 1.00 0.00 N ATOM 550 CA ARG A 36 7.475 1.620 3.697 1.00 0.00 C ATOM 551 C ARG A 36 6.822 2.675 2.778 1.00 0.00 C ATOM 552 O ARG A 36 7.148 3.856 2.890 1.00 0.00 O ATOM 553 CB ARG A 36 8.470 0.740 2.916 1.00 0.00 C ATOM 554 CG ARG A 36 9.928 0.984 3.329 1.00 0.00 C ATOM 555 CD ARG A 36 10.897 0.628 2.192 1.00 0.00 C ATOM 556 NE ARG A 36 12.198 1.288 2.381 1.00 0.00 N ATOM 557 CZ ARG A 36 13.231 1.243 1.555 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.235 0.505 0.477 1.00 0.00 N ATOM 559 NH2 ARG A 36 14.292 1.959 1.803 1.00 0.00 N ATOM 0 H ARG A 36 6.489 -0.180 4.147 1.00 0.00 H new ATOM 0 HA ARG A 36 8.038 2.156 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.223 -0.310 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.361 0.935 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.059 2.030 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.163 0.387 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.036 -0.452 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.468 0.929 1.236 1.00 0.00 H new ATOM 0 HE ARG A 36 12.316 1.835 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.421 -0.065 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.052 0.499 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.325 2.552 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.089 1.926 1.168 1.00 0.00 H new ATOM 573 N TYR A 37 5.878 2.296 1.896 1.00 0.00 N ATOM 574 CA TYR A 37 5.222 3.264 1.009 1.00 0.00 C ATOM 575 C TYR A 37 4.381 4.238 1.826 1.00 0.00 C ATOM 576 O TYR A 37 4.388 5.420 1.517 1.00 0.00 O ATOM 577 CB TYR A 37 4.383 2.622 -0.118 1.00 0.00 C ATOM 578 CG TYR A 37 2.906 2.419 0.170 1.00 0.00 C ATOM 579 CD1 TYR A 37 2.040 3.529 0.132 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.407 1.157 0.538 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.713 3.412 0.565 1.00 0.00 C ATOM 582 CE2 TYR A 37 1.078 1.048 0.989 1.00 0.00 C ATOM 583 CZ TYR A 37 0.253 2.172 1.022 1.00 0.00 C ATOM 584 OH TYR A 37 -1.013 2.033 1.475 1.00 0.00 O ATOM 0 H TYR A 37 5.558 1.334 1.782 1.00 0.00 H new ATOM 0 HA TYR A 37 6.022 3.803 0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.475 3.244 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.820 1.653 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.402 4.478 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.036 0.281 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.054 4.267 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.696 0.090 1.311 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.597 2.670 1.013 1.00 0.00 H new ATOM 594 N LEU A 38 3.713 3.771 2.888 1.00 0.00 N ATOM 595 CA LEU A 38 2.983 4.627 3.817 1.00 0.00 C ATOM 596 C LEU A 38 3.889 5.772 4.307 1.00 0.00 C ATOM 597 O LEU A 38 3.540 6.933 4.140 1.00 0.00 O ATOM 598 CB LEU A 38 2.392 3.751 4.944 1.00 0.00 C ATOM 599 CG LEU A 38 1.686 4.558 6.057 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.516 3.798 6.702 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.663 5.022 7.156 1.00 0.00 C ATOM 0 H LEU A 38 3.667 2.780 3.124 1.00 0.00 H new ATOM 0 HA LEU A 38 2.141 5.116 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.680 3.049 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.192 3.159 5.389 1.00 0.00 H new ATOM 0 HG LEU A 38 1.282 5.435 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.062 4.418 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.229 3.563 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.884 2.874 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.118 5.584 7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.132 4.153 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.431 5.658 6.715 1.00 0.00 H new ATOM 613 N GLU A 39 5.084 5.458 4.817 1.00 0.00 N ATOM 614 CA GLU A 39 6.050 6.476 5.286 1.00 0.00 C ATOM 615 C GLU A 39 6.469 7.465 4.195 1.00 0.00 C ATOM 616 O GLU A 39 6.516 8.667 4.448 1.00 0.00 O ATOM 617 CB GLU A 39 7.299 5.844 5.921 1.00 0.00 C ATOM 618 CG GLU A 39 7.207 5.901 7.444 1.00 0.00 C ATOM 619 CD GLU A 39 8.519 5.446 8.066 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.463 6.268 8.128 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.601 4.281 8.512 1.00 0.00 O ATOM 0 H GLU A 39 5.415 4.499 4.919 1.00 0.00 H new ATOM 0 HA GLU A 39 5.513 7.038 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.397 4.809 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.192 6.370 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.977 6.917 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.392 5.266 7.791 1.00 0.00 H new ATOM 628 N ILE A 40 6.728 6.982 2.979 1.00 0.00 N ATOM 629 CA ILE A 40 7.191 7.801 1.843 1.00 0.00 C ATOM 630 C ILE A 40 6.079 8.748 1.320 1.00 0.00 C ATOM 631 O ILE A 40 6.305 9.945 1.135 1.00 0.00 O ATOM 632 CB ILE A 40 7.749 6.861 0.742 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.969 6.048 1.256 1.00 0.00 C ATOM 634 CG2 ILE A 40 8.167 7.648 -0.514 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.263 4.787 0.431 1.00 0.00 C ATOM 0 H ILE A 40 6.622 5.995 2.745 1.00 0.00 H new ATOM 0 HA ILE A 40 7.994 8.460 2.174 1.00 0.00 H new ATOM 0 HB ILE A 40 6.943 6.175 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.850 6.689 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.792 5.760 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.553 6.958 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.303 8.176 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.942 8.368 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.128 4.272 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.398 4.125 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.473 5.068 -0.601 1.00 0.00 H new ATOM 647 N LEU A 41 4.861 8.232 1.138 1.00 0.00 N ATOM 648 CA LEU A 41 3.664 8.937 0.663 1.00 0.00 C ATOM 649 C LEU A 41 3.084 9.908 1.720 1.00 0.00 C ATOM 650 O LEU A 41 2.675 11.016 1.375 1.00 0.00 O ATOM 651 CB LEU A 41 2.621 7.878 0.247 1.00 0.00 C ATOM 652 CG LEU A 41 2.768 7.267 -1.169 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.186 8.190 -2.238 1.00 0.00 C ATOM 654 CD2 LEU A 41 4.187 6.896 -1.602 1.00 0.00 C ATOM 0 H LEU A 41 4.671 7.249 1.330 1.00 0.00 H new ATOM 0 HA LEU A 41 3.936 9.560 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.655 7.065 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.632 8.329 0.321 1.00 0.00 H new ATOM 0 HG LEU A 41 2.210 6.334 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.306 7.731 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.127 8.353 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.710 9.146 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.163 6.479 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.815 7.787 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.596 6.157 -0.913 1.00 0.00 H new ATOM 666 N LYS A 42 3.083 9.546 3.008 1.00 0.00 N ATOM 667 CA LYS A 42 2.764 10.477 4.107 1.00 0.00 C ATOM 668 C LYS A 42 3.759 11.658 4.157 1.00 0.00 C ATOM 669 O LYS A 42 3.365 12.792 4.432 1.00 0.00 O ATOM 670 CB LYS A 42 2.780 9.780 5.480 1.00 0.00 C ATOM 671 CG LYS A 42 1.581 8.854 5.776 1.00 0.00 C ATOM 672 CD LYS A 42 1.186 8.917 7.262 1.00 0.00 C ATOM 673 CE LYS A 42 0.146 10.025 7.477 1.00 0.00 C ATOM 674 NZ LYS A 42 0.282 10.692 8.789 1.00 0.00 N ATOM 0 H LYS A 42 3.303 8.601 3.322 1.00 0.00 H new ATOM 0 HA LYS A 42 1.759 10.846 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.696 9.194 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.824 10.545 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.732 9.145 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.834 7.829 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.779 7.957 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.067 9.109 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.244 10.768 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.854 9.600 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.445 11.430 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.161 9.992 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.225 11.124 8.863 1.00 0.00 H new ATOM 688 N SER A 43 5.035 11.374 3.866 1.00 0.00 N ATOM 689 CA SER A 43 6.056 12.415 3.677 1.00 0.00 C ATOM 690 C SER A 43 5.611 13.391 2.564 1.00 0.00 C ATOM 691 O SER A 43 5.414 14.574 2.845 1.00 0.00 O ATOM 692 CB SER A 43 7.458 11.835 3.422 1.00 0.00 C ATOM 693 OG SER A 43 8.445 12.569 4.134 1.00 0.00 O ATOM 0 H SER A 43 5.388 10.423 3.755 1.00 0.00 H new ATOM 0 HA SER A 43 6.143 12.973 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.485 10.789 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.679 11.861 2.355 1.00 0.00 H new ATOM 0 HG SER A 43 9.329 12.183 3.960 1.00 0.00 H new ATOM 699 N LYS A 44 5.368 12.887 1.342 1.00 0.00 N ATOM 700 CA LYS A 44 4.728 13.611 0.224 1.00 0.00 C ATOM 701 C LYS A 44 4.092 12.652 -0.810 1.00 0.00 C ATOM 702 O LYS A 44 4.787 11.823 -1.404 1.00 0.00 O ATOM 703 CB LYS A 44 5.774 14.518 -0.467 1.00 0.00 C ATOM 704 CG LYS A 44 5.631 15.988 -0.031 1.00 0.00 C ATOM 705 CD LYS A 44 6.959 16.765 -0.003 1.00 0.00 C ATOM 706 CE LYS A 44 6.910 17.800 1.131 1.00 0.00 C ATOM 707 NZ LYS A 44 7.882 18.895 0.944 1.00 0.00 N ATOM 0 H LYS A 44 5.620 11.930 1.094 1.00 0.00 H new ATOM 0 HA LYS A 44 3.921 14.216 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.777 14.164 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.660 14.447 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.942 16.492 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.182 16.020 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.793 16.080 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.125 17.262 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.905 18.218 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.107 17.302 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.807 19.565 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.845 18.503 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.680 19.390 0.052 1.00 0.00 H new ATOM 721 N GLN A 45 2.777 12.776 -1.052 1.00 0.00 N ATOM 722 CA GLN A 45 2.037 11.927 -2.008 1.00 0.00 C ATOM 723 C GLN A 45 2.256 12.351 -3.470 1.00 0.00 C ATOM 724 O GLN A 45 2.622 11.522 -4.306 1.00 0.00 O ATOM 725 CB GLN A 45 0.536 11.913 -1.660 1.00 0.00 C ATOM 726 CG GLN A 45 -0.309 11.093 -2.649 1.00 0.00 C ATOM 727 CD GLN A 45 -1.620 10.651 -2.032 1.00 0.00 C ATOM 728 OE1 GLN A 45 -2.601 11.383 -2.024 1.00 0.00 O ATOM 729 NE2 GLN A 45 -1.676 9.450 -1.495 1.00 0.00 N ATOM 0 H GLN A 45 2.191 13.471 -0.589 1.00 0.00 H new ATOM 0 HA GLN A 45 2.434 10.916 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.406 11.506 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.165 12.938 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.508 11.689 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.255 10.218 -2.971 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.853 8.847 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.542 9.122 -1.067 1.00 0.00 H new ATOM 738 N LYS A 46 2.098 13.649 -3.759 1.00 0.00 N ATOM 739 CA LYS A 46 2.302 14.254 -5.086 1.00 0.00 C ATOM 740 C LYS A 46 1.539 13.539 -6.242 1.00 0.00 C ATOM 741 O LYS A 46 0.509 12.896 -6.004 1.00 0.00 O ATOM 742 CB LYS A 46 3.829 14.435 -5.280 1.00 0.00 C ATOM 743 CG LYS A 46 4.215 15.899 -5.555 1.00 0.00 C ATOM 744 CD LYS A 46 5.689 16.145 -5.204 1.00 0.00 C ATOM 745 CE LYS A 46 6.056 17.628 -5.359 1.00 0.00 C ATOM 746 NZ LYS A 46 7.358 17.822 -6.034 1.00 0.00 N ATOM 0 H LYS A 46 1.816 14.331 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 46 1.835 15.238 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.350 14.086 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.164 13.812 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.041 16.135 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.580 16.564 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.880 15.825 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.325 15.541 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.276 18.134 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.087 18.096 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.559 18.839 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.108 17.363 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.323 17.400 -6.984 1.00 0.00 H new ATOM 760 N GLU A 47 1.993 13.688 -7.497 1.00 0.00 N ATOM 761 CA GLU A 47 1.432 13.058 -8.716 1.00 0.00 C ATOM 762 C GLU A 47 2.511 12.468 -9.633 1.00 0.00 C ATOM 763 O GLU A 47 3.691 12.872 -9.525 1.00 0.00 O ATOM 764 CB GLU A 47 0.528 14.032 -9.495 1.00 0.00 C ATOM 765 CG GLU A 47 1.235 15.303 -9.979 1.00 0.00 C ATOM 766 CD GLU A 47 0.379 16.029 -11.008 1.00 0.00 C ATOM 767 OE1 GLU A 47 -0.580 16.725 -10.604 1.00 0.00 O ATOM 768 OE2 GLU A 47 0.676 15.913 -12.218 1.00 0.00 O ATOM 769 OXT GLU A 47 2.166 11.578 -10.438 1.00 0.00 O ATOM 0 H GLU A 47 2.799 14.278 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 47 0.820 12.226 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.112 13.511 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.311 14.317 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.433 15.961 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.200 15.046 -10.416 1.00 0.00 H new TER 776 GLU A 47