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 -130:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 62:sc= 0.5 USER MOD Single : A 28 TYR OH : rot 180: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 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -0.47 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= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.231 -16.430 -5.364 0.01 0.01 N ATOM 2 CA ALA A 1 5.480 -17.687 -5.081 1.00 0.00 C ATOM 3 C ALA A 1 4.111 -17.788 -5.806 1.00 0.00 C ATOM 4 O ALA A 1 3.253 -18.554 -5.365 1.00 0.00 O ATOM 5 CB ALA A 1 5.370 -17.888 -3.548 1.00 0.00 C ATOM 0 H1 ALA A 1 7.132 -16.439 -4.844 0.01 0.01 H new ATOM 0 H2 ALA A 1 6.421 -16.361 -6.384 0.01 0.01 H new ATOM 0 H3 ALA A 1 5.665 -15.612 -5.061 0.01 0.01 H new ATOM 0 HA ALA A 1 6.052 -18.513 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.821 -18.806 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.369 -17.957 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.842 -17.042 -3.107 1.00 0.00 H new ATOM 13 N LEU A 2 3.867 -17.065 -6.917 1.00 0.00 N ATOM 14 CA LEU A 2 2.572 -17.022 -7.644 1.00 0.00 C ATOM 15 C LEU A 2 1.335 -16.731 -6.748 1.00 0.00 C ATOM 16 O LEU A 2 0.209 -17.138 -7.048 1.00 0.00 O ATOM 17 CB LEU A 2 2.426 -18.296 -8.511 1.00 0.00 C ATOM 18 CG LEU A 2 3.379 -18.351 -9.719 1.00 0.00 C ATOM 19 CD1 LEU A 2 3.489 -19.786 -10.233 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.881 -17.473 -10.869 1.00 0.00 C ATOM 0 H LEU A 2 4.580 -16.478 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 2 2.596 -16.155 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.601 -19.170 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.399 -18.362 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 2 4.349 -17.985 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.165 -19.816 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.876 -20.427 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.504 -20.140 -10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.579 -17.537 -11.704 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.898 -17.817 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.811 -16.438 -10.533 1.00 0.00 H new ATOM 32 N VAL A 3 1.545 -16.037 -5.624 1.00 0.00 N ATOM 33 CA VAL A 3 0.498 -15.725 -4.633 1.00 0.00 C ATOM 34 C VAL A 3 -0.579 -14.785 -5.187 1.00 0.00 C ATOM 35 O VAL A 3 -0.290 -13.880 -5.975 1.00 0.00 O ATOM 36 CB VAL A 3 1.084 -15.150 -3.325 1.00 0.00 C ATOM 37 CG1 VAL A 3 2.080 -16.124 -2.685 1.00 0.00 C ATOM 38 CG2 VAL A 3 1.791 -13.793 -3.487 1.00 0.00 C ATOM 0 H VAL A 3 2.461 -15.668 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 3 0.022 -16.678 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 3 0.213 -15.000 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.474 -15.690 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.575 -17.062 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.900 -16.314 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.172 -13.464 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.620 -13.896 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.083 -13.057 -3.868 1.00 0.00 H new ATOM 48 N ASP A 4 -1.822 -14.977 -4.732 1.00 0.00 N ATOM 49 CA ASP A 4 -3.007 -14.216 -5.165 1.00 0.00 C ATOM 50 C ASP A 4 -3.818 -13.654 -3.988 1.00 0.00 C ATOM 51 O ASP A 4 -4.066 -12.452 -3.961 1.00 0.00 O ATOM 52 CB ASP A 4 -3.870 -15.076 -6.116 1.00 0.00 C ATOM 53 CG ASP A 4 -4.618 -16.253 -5.444 1.00 0.00 C ATOM 54 OD1 ASP A 4 -3.976 -17.051 -4.720 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.851 -16.370 -5.637 1.00 0.00 O ATOM 0 H ASP A 4 -2.041 -15.686 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.658 -13.342 -5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.602 -14.430 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.229 -15.475 -6.902 1.00 0.00 H new ATOM 60 N GLU A 5 -4.118 -14.459 -2.958 1.00 0.00 N ATOM 61 CA GLU A 5 -4.759 -13.979 -1.709 1.00 0.00 C ATOM 62 C GLU A 5 -3.886 -13.018 -0.906 1.00 0.00 C ATOM 63 O GLU A 5 -4.397 -12.041 -0.368 1.00 0.00 O ATOM 64 CB GLU A 5 -5.177 -15.129 -0.782 1.00 0.00 C ATOM 65 CG GLU A 5 -6.448 -15.822 -1.268 1.00 0.00 C ATOM 66 CD GLU A 5 -6.973 -16.754 -0.184 1.00 0.00 C ATOM 67 OE1 GLU A 5 -6.362 -17.824 0.036 1.00 0.00 O ATOM 68 OE2 GLU A 5 -8.002 -16.417 0.445 1.00 0.00 O ATOM 0 H GLU A 5 -3.926 -15.461 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.643 -13.444 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.368 -15.857 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.337 -14.743 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.205 -15.079 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.241 -16.387 -2.177 1.00 0.00 H new ATOM 75 N VAL A 6 -2.567 -13.243 -0.869 1.00 0.00 N ATOM 76 CA VAL A 6 -1.603 -12.291 -0.271 1.00 0.00 C ATOM 77 C VAL A 6 -1.675 -10.937 -0.976 1.00 0.00 C ATOM 78 O VAL A 6 -1.797 -9.905 -0.316 1.00 0.00 O ATOM 79 CB VAL A 6 -0.158 -12.827 -0.336 1.00 0.00 C ATOM 80 CG1 VAL A 6 0.914 -11.776 -0.012 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.028 -14.030 0.603 1.00 0.00 C ATOM 0 H VAL A 6 -2.132 -14.084 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.879 -12.171 0.777 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.016 -13.127 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.902 -12.231 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.844 -10.954 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.758 -11.396 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.056 -14.388 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.186 -13.728 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.654 -14.829 0.310 1.00 0.00 H new ATOM 91 N LYS A 7 -1.664 -10.940 -2.315 1.00 0.00 N ATOM 92 CA LYS A 7 -1.813 -9.718 -3.105 1.00 0.00 C ATOM 93 C LYS A 7 -3.136 -9.011 -2.755 1.00 0.00 C ATOM 94 O LYS A 7 -3.104 -7.875 -2.300 1.00 0.00 O ATOM 95 CB LYS A 7 -1.662 -10.017 -4.616 1.00 0.00 C ATOM 96 CG LYS A 7 -0.507 -9.204 -5.226 1.00 0.00 C ATOM 97 CD LYS A 7 -0.277 -9.479 -6.726 1.00 0.00 C ATOM 98 CE LYS A 7 -0.570 -8.250 -7.606 1.00 0.00 C ATOM 99 NZ LYS A 7 0.582 -7.871 -8.456 1.00 0.00 N ATOM 0 H LYS A 7 -1.552 -11.785 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.011 -9.025 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.480 -11.082 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.592 -9.778 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.710 -8.142 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.410 -9.427 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.755 -9.793 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.912 -10.307 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.432 -8.459 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.840 -7.408 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.333 -7.039 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.399 -7.645 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.825 -8.663 -9.085 1.00 0.00 H new ATOM 113 N ASP A 8 -4.286 -9.693 -2.842 1.00 0.00 N ATOM 114 CA ASP A 8 -5.616 -9.136 -2.518 1.00 0.00 C ATOM 115 C ASP A 8 -5.760 -8.588 -1.082 1.00 0.00 C ATOM 116 O ASP A 8 -6.479 -7.609 -0.875 1.00 0.00 O ATOM 117 CB ASP A 8 -6.715 -10.181 -2.810 1.00 0.00 C ATOM 118 CG ASP A 8 -7.246 -10.120 -4.261 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.962 -9.145 -4.599 1.00 0.00 O ATOM 120 OD2 ASP A 8 -6.987 -11.057 -5.055 1.00 0.00 O ATOM 0 H ASP A 8 -4.324 -10.666 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.734 -8.268 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.319 -11.178 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.545 -10.028 -2.120 1.00 0.00 H new ATOM 125 N MET A 9 -5.054 -9.160 -0.104 1.00 0.00 N ATOM 126 CA MET A 9 -5.042 -8.664 1.283 1.00 0.00 C ATOM 127 C MET A 9 -4.198 -7.389 1.462 1.00 0.00 C ATOM 128 O MET A 9 -4.674 -6.416 2.053 1.00 0.00 O ATOM 129 CB MET A 9 -4.534 -9.748 2.247 1.00 0.00 C ATOM 130 CG MET A 9 -5.691 -10.593 2.785 1.00 0.00 C ATOM 131 SD MET A 9 -5.191 -11.815 4.031 1.00 0.00 S ATOM 132 CE MET A 9 -6.826 -12.350 4.606 1.00 0.00 C ATOM 0 H MET A 9 -4.470 -9.984 -0.248 1.00 0.00 H new ATOM 0 HA MET A 9 -6.076 -8.410 1.518 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.819 -10.390 1.733 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.004 -9.281 3.077 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.440 -9.931 3.219 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.167 -11.111 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.709 -13.107 5.381 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.366 -11.495 5.012 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.386 -12.770 3.770 1.00 0.00 H new ATOM 142 N GLU A 10 -2.972 -7.347 0.920 1.00 0.00 N ATOM 143 CA GLU A 10 -2.139 -6.123 0.906 1.00 0.00 C ATOM 144 C GLU A 10 -2.790 -4.991 0.100 1.00 0.00 C ATOM 145 O GLU A 10 -2.740 -3.838 0.511 1.00 0.00 O ATOM 146 CB GLU A 10 -0.734 -6.399 0.346 1.00 0.00 C ATOM 147 CG GLU A 10 0.380 -6.445 1.399 1.00 0.00 C ATOM 148 CD GLU A 10 0.765 -7.871 1.773 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.080 -8.471 2.631 1.00 0.00 O ATOM 150 OE2 GLU A 10 1.794 -8.356 1.253 1.00 0.00 O ATOM 0 H GLU A 10 -2.527 -8.152 0.480 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.053 -5.806 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.751 -7.350 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.492 -5.628 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.258 -5.922 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.054 -5.913 2.293 1.00 0.00 H new ATOM 157 N ILE A 11 -3.453 -5.345 -1.001 1.00 0.00 N ATOM 158 CA ILE A 11 -4.237 -4.424 -1.845 1.00 0.00 C ATOM 159 C ILE A 11 -5.390 -3.775 -1.039 1.00 0.00 C ATOM 160 O ILE A 11 -5.553 -2.554 -1.047 1.00 0.00 O ATOM 161 CB ILE A 11 -4.727 -5.109 -3.138 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.532 -5.452 -4.059 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.696 -4.200 -3.919 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.872 -6.547 -5.082 1.00 0.00 C ATOM 0 H ILE A 11 -3.464 -6.305 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.577 -3.616 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.245 -6.021 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.214 -4.553 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.689 -5.778 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.024 -4.710 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.562 -3.972 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.189 -3.274 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.999 -6.749 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.163 -7.457 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.696 -6.213 -5.713 1.00 0.00 H new ATOM 176 N ALA A 12 -6.160 -4.556 -0.271 1.00 0.00 N ATOM 177 CA ALA A 12 -7.181 -4.014 0.640 1.00 0.00 C ATOM 178 C ALA A 12 -6.595 -3.058 1.711 1.00 0.00 C ATOM 179 O ALA A 12 -7.135 -1.978 1.980 1.00 0.00 O ATOM 180 CB ALA A 12 -7.929 -5.183 1.292 1.00 0.00 C ATOM 0 H ALA A 12 -6.095 -5.574 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.870 -3.407 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.689 -4.796 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.406 -5.786 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.225 -5.799 1.851 1.00 0.00 H new ATOM 186 N ARG A 13 -5.425 -3.404 2.259 1.00 0.00 N ATOM 187 CA ARG A 13 -4.645 -2.518 3.131 1.00 0.00 C ATOM 188 C ARG A 13 -4.405 -1.124 2.496 1.00 0.00 C ATOM 189 O ARG A 13 -4.546 -0.111 3.182 1.00 0.00 O ATOM 190 CB ARG A 13 -3.344 -3.237 3.566 1.00 0.00 C ATOM 191 CG ARG A 13 -3.428 -3.828 4.982 1.00 0.00 C ATOM 192 CD ARG A 13 -3.359 -2.759 6.082 1.00 0.00 C ATOM 193 NE ARG A 13 -4.208 -3.121 7.235 1.00 0.00 N ATOM 194 CZ ARG A 13 -5.346 -2.551 7.599 1.00 0.00 C ATOM 195 NH1 ARG A 13 -5.831 -1.516 6.973 1.00 0.00 N ATOM 196 NH2 ARG A 13 -6.036 -3.012 8.605 1.00 0.00 N ATOM 0 H ARG A 13 -4.989 -4.314 2.109 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.222 -2.308 4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.123 -4.035 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.514 -2.532 3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.359 -4.386 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.614 -4.539 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.327 -2.639 6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.679 -1.798 5.679 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.882 -3.895 7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.331 -1.121 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.711 -1.101 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.701 -3.823 9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.911 -2.561 8.873 1.00 0.00 H new ATOM 210 N LEU A 14 -4.184 -1.040 1.177 1.00 0.00 N ATOM 211 CA LEU A 14 -4.052 0.228 0.431 1.00 0.00 C ATOM 212 C LEU A 14 -5.325 1.083 0.413 1.00 0.00 C ATOM 213 O LEU A 14 -5.286 2.295 0.621 1.00 0.00 O ATOM 214 CB LEU A 14 -3.670 -0.004 -1.042 1.00 0.00 C ATOM 215 CG LEU A 14 -2.665 -1.112 -1.341 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.531 -1.245 -2.853 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.321 -0.918 -0.659 1.00 0.00 C ATOM 0 H LEU A 14 -4.090 -1.864 0.584 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.267 0.756 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.583 -0.219 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.269 0.930 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.046 -2.042 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.816 -2.033 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.501 -1.495 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.181 -0.301 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.659 -1.744 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.877 0.021 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.462 -0.891 0.422 1.00 0.00 H new ATOM 229 N MET A 15 -6.470 0.433 0.209 1.00 0.00 N ATOM 230 CA MET A 15 -7.787 1.078 0.317 1.00 0.00 C ATOM 231 C MET A 15 -8.054 1.666 1.724 1.00 0.00 C ATOM 232 O MET A 15 -8.775 2.655 1.856 1.00 0.00 O ATOM 233 CB MET A 15 -8.891 0.101 -0.126 1.00 0.00 C ATOM 234 CG MET A 15 -10.247 0.785 -0.363 1.00 0.00 C ATOM 235 SD MET A 15 -11.312 0.989 1.102 1.00 0.00 S ATOM 236 CE MET A 15 -12.471 -0.381 0.866 1.00 0.00 C ATOM 0 H MET A 15 -6.516 -0.556 -0.036 1.00 0.00 H new ATOM 0 HA MET A 15 -7.794 1.933 -0.358 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.578 -0.398 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.009 -0.672 0.634 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.064 1.770 -0.793 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.796 0.209 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.191 -0.393 1.684 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.998 -0.253 -0.080 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.923 -1.323 0.851 1.00 0.00 H new ATOM 246 N SER A 16 -7.375 1.158 2.760 1.00 0.00 N ATOM 247 CA SER A 16 -7.430 1.775 4.097 1.00 0.00 C ATOM 248 C SER A 16 -6.584 3.071 4.252 1.00 0.00 C ATOM 249 O SER A 16 -6.903 3.919 5.094 1.00 0.00 O ATOM 250 CB SER A 16 -6.985 0.744 5.138 1.00 0.00 C ATOM 251 OG SER A 16 -7.747 0.839 6.330 1.00 0.00 O ATOM 0 H SER A 16 -6.785 0.328 2.703 1.00 0.00 H new ATOM 0 HA SER A 16 -8.465 2.082 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.084 -0.259 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.930 0.891 5.368 1.00 0.00 H new ATOM 0 HG SER A 16 -7.144 0.877 7.102 1.00 0.00 H new ATOM 257 N LEU A 17 -5.533 3.267 3.437 1.00 0.00 N ATOM 258 CA LEU A 17 -4.762 4.522 3.350 1.00 0.00 C ATOM 259 C LEU A 17 -5.376 5.565 2.389 1.00 0.00 C ATOM 260 O LEU A 17 -5.169 6.765 2.572 1.00 0.00 O ATOM 261 CB LEU A 17 -3.313 4.195 2.923 1.00 0.00 C ATOM 262 CG LEU A 17 -2.420 4.021 4.160 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.263 3.079 3.872 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.873 5.380 4.612 1.00 0.00 C ATOM 0 H LEU A 17 -5.188 2.543 2.807 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.783 4.979 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.300 3.284 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.923 4.995 2.294 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.029 3.590 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.648 2.975 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.652 2.103 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.658 3.483 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.241 5.244 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.286 5.822 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.703 6.042 4.861 1.00 0.00 H new ATOM 276 N GLY A 18 -6.133 5.114 1.383 1.00 0.00 N ATOM 277 CA GLY A 18 -6.799 5.980 0.400 1.00 0.00 C ATOM 278 C GLY A 18 -6.055 6.034 -0.942 1.00 0.00 C ATOM 279 O GLY A 18 -5.428 7.044 -1.269 1.00 0.00 O ATOM 0 H GLY A 18 -6.304 4.121 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.814 5.620 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.881 6.988 0.806 1.00 0.00 H new ATOM 283 N LEU A 19 -6.117 4.937 -1.700 1.00 0.00 N ATOM 284 CA LEU A 19 -5.545 4.796 -3.048 1.00 0.00 C ATOM 285 C LEU A 19 -6.646 4.471 -4.101 1.00 0.00 C ATOM 286 O LEU A 19 -7.830 4.723 -3.874 1.00 0.00 O ATOM 287 CB LEU A 19 -4.344 3.812 -2.985 1.00 0.00 C ATOM 288 CG LEU A 19 -3.071 4.342 -2.276 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.957 3.289 -2.336 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.518 5.613 -2.925 1.00 0.00 C ATOM 0 H LEU A 19 -6.584 4.088 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.136 5.742 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.669 2.905 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.078 3.528 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.368 4.562 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.068 3.671 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.290 2.378 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.721 3.068 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.627 5.938 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.260 5.408 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.272 6.399 -2.887 1.00 0.00 H new ATOM 302 N SER A 20 -6.253 3.972 -5.273 1.00 0.00 N ATOM 303 CA SER A 20 -7.113 3.679 -6.445 1.00 0.00 C ATOM 304 C SER A 20 -7.752 2.263 -6.421 1.00 0.00 C ATOM 305 O SER A 20 -8.621 1.970 -5.599 1.00 0.00 O ATOM 306 CB SER A 20 -6.330 3.982 -7.747 1.00 0.00 C ATOM 307 OG SER A 20 -5.819 5.305 -7.758 1.00 0.00 O ATOM 0 H SER A 20 -5.275 3.745 -5.451 1.00 0.00 H new ATOM 0 HA SER A 20 -7.976 4.343 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.508 3.274 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.984 3.838 -8.607 1.00 0.00 H new ATOM 0 HG SER A 20 -5.330 5.460 -8.593 1.00 0.00 H new ATOM 313 N ILE A 21 -7.307 1.394 -7.331 1.00 0.00 N ATOM 314 CA ILE A 21 -7.698 -0.023 -7.502 1.00 0.00 C ATOM 315 C ILE A 21 -6.579 -0.895 -8.146 1.00 0.00 C ATOM 316 O ILE A 21 -5.624 -1.256 -7.462 1.00 0.00 O ATOM 317 CB ILE A 21 -9.076 -0.069 -8.197 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.686 -1.485 -8.091 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.140 0.532 -9.621 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.086 -1.622 -8.702 1.00 0.00 C ATOM 0 H ILE A 21 -6.612 1.675 -8.023 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.815 -0.501 -6.530 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.709 0.622 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.018 -2.192 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.733 -1.769 -7.040 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.155 0.444 -10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.855 1.584 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.455 -0.007 -10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.436 -2.647 -8.583 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.772 -0.943 -8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.046 -1.373 -9.762 1.00 0.00 H new ATOM 332 N GLU A 22 -6.615 -1.201 -9.449 1.00 0.00 N ATOM 333 CA GLU A 22 -5.534 -1.907 -10.192 1.00 0.00 C ATOM 334 C GLU A 22 -4.251 -1.073 -10.254 1.00 0.00 C ATOM 335 O GLU A 22 -3.165 -1.536 -9.925 1.00 0.00 O ATOM 336 CB GLU A 22 -5.998 -2.226 -11.630 1.00 0.00 C ATOM 337 CG GLU A 22 -6.074 -3.722 -11.907 1.00 0.00 C ATOM 338 CD GLU A 22 -6.518 -3.949 -13.348 1.00 0.00 C ATOM 339 OE1 GLU A 22 -5.655 -3.904 -14.254 1.00 0.00 O ATOM 340 OE2 GLU A 22 -7.727 -4.177 -13.572 1.00 0.00 O ATOM 0 H GLU A 22 -7.411 -0.964 -10.041 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.320 -2.831 -9.654 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.978 -1.780 -11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.311 -1.764 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.101 -4.184 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.776 -4.195 -11.220 1.00 0.00 H new ATOM 347 N GLU A 23 -4.420 0.195 -10.633 1.00 0.00 N ATOM 348 CA GLU A 23 -3.318 1.187 -10.620 1.00 0.00 C ATOM 349 C GLU A 23 -2.689 1.290 -9.221 1.00 0.00 C ATOM 350 O GLU A 23 -1.468 1.307 -9.090 1.00 0.00 O ATOM 351 CB GLU A 23 -3.743 2.567 -11.121 1.00 0.00 C ATOM 352 CG GLU A 23 -2.532 3.477 -11.379 1.00 0.00 C ATOM 353 CD GLU A 23 -2.430 3.876 -12.845 1.00 0.00 C ATOM 354 OE1 GLU A 23 -3.208 4.753 -13.279 1.00 0.00 O ATOM 355 OE2 GLU A 23 -1.553 3.331 -13.552 1.00 0.00 O ATOM 0 H GLU A 23 -5.311 0.571 -10.956 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.569 0.819 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.319 2.459 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.399 3.034 -10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.612 4.373 -10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.619 2.963 -11.077 1.00 0.00 H new ATOM 362 N ALA A 24 -3.513 1.243 -8.167 1.00 0.00 N ATOM 363 CA ALA A 24 -3.034 1.142 -6.777 1.00 0.00 C ATOM 364 C ALA A 24 -2.259 -0.146 -6.500 1.00 0.00 C ATOM 365 O ALA A 24 -1.246 -0.094 -5.826 1.00 0.00 O ATOM 366 CB ALA A 24 -4.184 1.226 -5.772 1.00 0.00 C ATOM 0 H ALA A 24 -4.529 1.274 -8.250 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.361 1.991 -6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.789 1.148 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.699 2.180 -5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.885 0.411 -5.952 1.00 0.00 H new ATOM 372 N THR A 25 -2.712 -1.280 -7.035 1.00 0.00 N ATOM 373 CA THR A 25 -2.049 -2.583 -6.884 1.00 0.00 C ATOM 374 C THR A 25 -0.620 -2.566 -7.448 1.00 0.00 C ATOM 375 O THR A 25 0.345 -2.892 -6.755 1.00 0.00 O ATOM 376 CB THR A 25 -2.857 -3.702 -7.559 1.00 0.00 C ATOM 377 OG1 THR A 25 -4.144 -3.814 -6.991 1.00 0.00 O ATOM 378 CG2 THR A 25 -2.157 -5.061 -7.504 1.00 0.00 C ATOM 0 H THR A 25 -3.563 -1.324 -7.595 1.00 0.00 H new ATOM 0 HA THR A 25 -1.994 -2.782 -5.814 1.00 0.00 H new ATOM 0 HB THR A 25 -2.942 -3.416 -8.607 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.640 -2.981 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.777 -5.810 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.195 -4.995 -8.012 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.000 -5.348 -6.464 1.00 0.00 H new ATOM 386 N GLU A 26 -0.451 -2.124 -8.699 1.00 0.00 N ATOM 387 CA GLU A 26 0.875 -1.955 -9.330 1.00 0.00 C ATOM 388 C GLU A 26 1.757 -0.923 -8.629 1.00 0.00 C ATOM 389 O GLU A 26 2.959 -1.142 -8.512 1.00 0.00 O ATOM 390 CB GLU A 26 0.730 -1.575 -10.812 1.00 0.00 C ATOM 391 CG GLU A 26 0.883 -2.814 -11.690 1.00 0.00 C ATOM 392 CD GLU A 26 0.670 -2.466 -13.157 1.00 0.00 C ATOM 393 OE1 GLU A 26 1.445 -1.647 -13.700 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.254 -3.040 -13.775 1.00 0.00 O ATOM 0 H GLU A 26 -1.228 -1.871 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 26 1.370 -2.921 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.244 -1.116 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.483 -0.834 -11.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.876 -3.242 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.164 -3.574 -11.384 1.00 0.00 H new ATOM 401 N PHE A 27 1.153 0.144 -8.106 1.00 0.00 N ATOM 402 CA PHE A 27 1.866 1.167 -7.327 1.00 0.00 C ATOM 403 C PHE A 27 2.423 0.603 -6.006 1.00 0.00 C ATOM 404 O PHE A 27 3.594 0.783 -5.691 1.00 0.00 O ATOM 405 CB PHE A 27 0.966 2.378 -7.062 1.00 0.00 C ATOM 406 CG PHE A 27 1.732 3.603 -6.601 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.424 4.369 -7.562 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.766 3.989 -5.241 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.101 5.540 -7.182 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.423 5.175 -4.874 1.00 0.00 C ATOM 411 CZ PHE A 27 3.086 5.953 -5.839 1.00 0.00 C ATOM 0 H PHE A 27 0.155 0.327 -8.208 1.00 0.00 H new ATOM 0 HA PHE A 27 2.717 1.492 -7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.418 2.621 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.226 2.114 -6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.434 4.054 -8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.290 3.376 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.632 6.122 -7.921 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.419 5.492 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.583 6.867 -5.549 1.00 0.00 H new ATOM 421 N TYR A 28 1.592 -0.140 -5.276 1.00 0.00 N ATOM 422 CA TYR A 28 1.898 -0.870 -4.038 1.00 0.00 C ATOM 423 C TYR A 28 3.115 -1.797 -4.150 1.00 0.00 C ATOM 424 O TYR A 28 4.000 -1.777 -3.290 1.00 0.00 O ATOM 425 CB TYR A 28 0.627 -1.652 -3.635 1.00 0.00 C ATOM 426 CG TYR A 28 0.748 -3.109 -3.210 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.523 -3.416 -2.095 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.071 -4.150 -3.877 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.705 -4.745 -1.681 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.267 -5.488 -3.482 1.00 0.00 C ATOM 431 CZ TYR A 28 1.119 -5.789 -2.412 1.00 0.00 C ATOM 432 OH TYR A 28 1.344 -7.091 -2.077 1.00 0.00 O ATOM 0 H TYR A 28 0.617 -0.259 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 28 2.176 -0.150 -3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.156 -1.110 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.062 -1.614 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.992 -2.618 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.599 -3.921 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.294 -4.963 -0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.241 -6.284 -4.006 1.00 0.00 H new ATOM 0 HH TYR A 28 0.856 -7.676 -2.693 1.00 0.00 H new ATOM 442 N GLU A 29 3.151 -2.594 -5.220 1.00 0.00 N ATOM 443 CA GLU A 29 4.217 -3.579 -5.476 1.00 0.00 C ATOM 444 C GLU A 29 5.500 -2.928 -5.990 1.00 0.00 C ATOM 445 O GLU A 29 6.590 -3.307 -5.562 1.00 0.00 O ATOM 446 CB GLU A 29 3.724 -4.651 -6.456 1.00 0.00 C ATOM 447 CG GLU A 29 3.058 -5.826 -5.729 1.00 0.00 C ATOM 448 CD GLU A 29 3.930 -7.069 -5.820 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.905 -7.184 -5.044 1.00 0.00 O ATOM 450 OE2 GLU A 29 3.627 -7.926 -6.680 1.00 0.00 O ATOM 0 H GLU A 29 2.434 -2.577 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 29 4.461 -4.049 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.014 -4.206 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.564 -5.018 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.891 -5.567 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.081 -6.027 -6.168 1.00 0.00 H new ATOM 457 N ASN A 30 5.374 -1.926 -6.866 1.00 0.00 N ATOM 458 CA ASN A 30 6.515 -1.126 -7.322 1.00 0.00 C ATOM 459 C ASN A 30 7.177 -0.411 -6.135 1.00 0.00 C ATOM 460 O ASN A 30 8.363 -0.634 -5.873 1.00 0.00 O ATOM 461 CB ASN A 30 6.107 -0.163 -8.450 1.00 0.00 C ATOM 462 CG ASN A 30 6.408 -0.761 -9.815 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.175 -0.212 -10.596 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.863 -1.921 -10.127 1.00 0.00 N ATOM 0 H ASN A 30 4.483 -1.648 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 30 7.263 -1.793 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.043 0.061 -8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.640 0.781 -8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.080 -2.363 -11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.224 -2.376 -9.475 1.00 0.00 H new ATOM 471 N ASP A 31 6.412 0.383 -5.377 1.00 0.00 N ATOM 472 CA ASP A 31 6.899 1.027 -4.154 1.00 0.00 C ATOM 473 C ASP A 31 7.540 0.075 -3.145 1.00 0.00 C ATOM 474 O ASP A 31 8.697 0.315 -2.802 1.00 0.00 O ATOM 475 CB ASP A 31 5.783 1.864 -3.493 1.00 0.00 C ATOM 476 CG ASP A 31 5.544 3.234 -4.173 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.645 3.345 -5.420 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.299 4.216 -3.433 1.00 0.00 O ATOM 0 H ASP A 31 5.439 0.596 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 31 7.705 1.686 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.855 1.293 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.036 2.028 -2.446 1.00 0.00 H new ATOM 483 N VAL A 32 6.846 -0.977 -2.678 1.00 0.00 N ATOM 484 CA VAL A 32 7.291 -1.871 -1.577 1.00 0.00 C ATOM 485 C VAL A 32 6.240 -2.969 -1.222 1.00 0.00 C ATOM 486 O VAL A 32 6.064 -3.937 -1.963 1.00 0.00 O ATOM 487 CB VAL A 32 7.729 -1.053 -0.330 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.617 -0.122 0.210 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.342 -1.942 0.753 1.00 0.00 C ATOM 0 H VAL A 32 5.938 -1.242 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 32 8.166 -2.408 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 32 8.521 -0.384 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.987 0.420 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.329 0.589 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.750 -0.718 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.634 -1.328 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.610 -2.683 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.220 -2.449 0.354 1.00 0.00 H new ATOM 499 N THR A 33 5.569 -2.820 -0.076 1.00 0.00 N ATOM 500 CA THR A 33 4.626 -3.710 0.597 1.00 0.00 C ATOM 501 C THR A 33 3.569 -2.773 1.232 1.00 0.00 C ATOM 502 O THR A 33 2.710 -2.271 0.520 1.00 0.00 O ATOM 503 CB THR A 33 5.368 -4.564 1.657 1.00 0.00 C ATOM 504 OG1 THR A 33 6.512 -5.206 1.121 1.00 0.00 O ATOM 505 CG2 THR A 33 4.502 -5.638 2.319 1.00 0.00 C ATOM 0 H THR A 33 5.692 -1.965 0.466 1.00 0.00 H new ATOM 0 HA THR A 33 4.153 -4.420 -0.081 1.00 0.00 H new ATOM 0 HB THR A 33 5.654 -3.836 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.951 -5.732 1.822 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.098 -6.189 3.046 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.659 -5.166 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.131 -6.326 1.559 1.00 0.00 H new ATOM 513 N TYR A 34 3.657 -2.431 2.527 1.00 0.00 N ATOM 514 CA TYR A 34 2.700 -1.466 3.110 1.00 0.00 C ATOM 515 C TYR A 34 3.312 -0.311 3.933 1.00 0.00 C ATOM 516 O TYR A 34 3.239 0.836 3.491 1.00 0.00 O ATOM 517 CB TYR A 34 1.600 -2.263 3.808 1.00 0.00 C ATOM 518 CG TYR A 34 0.612 -1.422 4.578 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.548 -0.901 3.978 1.00 0.00 C ATOM 520 CD2 TYR A 34 0.872 -1.179 5.930 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.472 -0.187 4.765 1.00 0.00 C ATOM 522 CE2 TYR A 34 -0.047 -0.461 6.714 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.227 0.026 6.131 1.00 0.00 C ATOM 524 OH TYR A 34 -2.139 0.692 6.894 1.00 0.00 O ATOM 0 H TYR A 34 4.356 -2.792 3.176 1.00 0.00 H new ATOM 0 HA TYR A 34 2.260 -0.885 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.059 -2.844 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.062 -2.975 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.729 -1.047 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.785 -1.546 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.375 0.199 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.154 -0.285 7.760 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.813 0.751 7.816 1.00 0.00 H new ATOM 534 N GLU A 35 3.948 -0.560 5.087 1.00 0.00 N ATOM 535 CA GLU A 35 4.398 0.532 5.998 1.00 0.00 C ATOM 536 C GLU A 35 5.438 1.472 5.379 1.00 0.00 C ATOM 537 O GLU A 35 5.375 2.682 5.581 1.00 0.00 O ATOM 538 CB GLU A 35 4.929 -0.022 7.328 1.00 0.00 C ATOM 539 CG GLU A 35 3.813 -0.313 8.335 1.00 0.00 C ATOM 540 CD GLU A 35 3.660 0.822 9.341 1.00 0.00 C ATOM 541 OE1 GLU A 35 2.936 1.796 9.042 1.00 0.00 O ATOM 542 OE2 GLU A 35 4.241 0.717 10.445 1.00 0.00 O ATOM 0 H GLU A 35 4.167 -1.499 5.421 1.00 0.00 H new ATOM 0 HA GLU A 35 3.503 1.126 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.489 -0.938 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.627 0.694 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.872 -0.460 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.030 -1.242 8.863 1.00 0.00 H new ATOM 549 N ARG A 36 6.356 0.945 4.565 1.00 0.00 N ATOM 550 CA ARG A 36 7.321 1.765 3.814 1.00 0.00 C ATOM 551 C ARG A 36 6.633 2.778 2.864 1.00 0.00 C ATOM 552 O ARG A 36 6.903 3.976 2.959 1.00 0.00 O ATOM 553 CB ARG A 36 8.294 0.838 3.062 1.00 0.00 C ATOM 554 CG ARG A 36 9.603 0.511 3.818 1.00 0.00 C ATOM 555 CD ARG A 36 9.836 -0.996 4.049 1.00 0.00 C ATOM 556 NE ARG A 36 11.260 -1.389 3.981 1.00 0.00 N ATOM 557 CZ ARG A 36 12.037 -1.494 2.908 1.00 0.00 C ATOM 558 NH1 ARG A 36 11.679 -1.085 1.720 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.223 -2.026 3.008 1.00 0.00 N ATOM 0 H ARG A 36 6.455 -0.058 4.406 1.00 0.00 H new ATOM 0 HA ARG A 36 7.883 2.372 4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.780 -0.096 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.549 1.301 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.445 0.916 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.589 1.018 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.437 -1.272 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.275 -1.561 3.304 1.00 0.00 H new ATOM 0 HE ARG A 36 11.703 -1.608 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.762 -0.660 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.316 -1.191 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.556 -2.363 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.818 -2.106 2.183 1.00 0.00 H new ATOM 573 N TYR A 37 5.723 2.340 1.979 1.00 0.00 N ATOM 574 CA TYR A 37 5.032 3.278 1.075 1.00 0.00 C ATOM 575 C TYR A 37 4.151 4.255 1.857 1.00 0.00 C ATOM 576 O TYR A 37 4.111 5.424 1.499 1.00 0.00 O ATOM 577 CB TYR A 37 4.256 2.625 -0.078 1.00 0.00 C ATOM 578 CG TYR A 37 2.771 2.431 0.142 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.886 3.520 0.002 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.279 1.177 0.532 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.525 3.368 0.289 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.917 1.026 0.828 1.00 0.00 C ATOM 583 CZ TYR A 37 0.046 2.119 0.700 1.00 0.00 C ATOM 584 OH TYR A 37 -1.273 1.976 0.962 1.00 0.00 O ATOM 0 H TYR A 37 5.451 1.363 1.869 1.00 0.00 H new ATOM 0 HA TYR A 37 5.834 3.832 0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.393 3.234 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.702 1.652 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.261 4.477 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.947 0.331 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.149 4.206 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.538 0.069 1.154 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.787 2.595 0.403 1.00 0.00 H new ATOM 594 N LEU A 38 3.508 3.825 2.950 1.00 0.00 N ATOM 595 CA LEU A 38 2.782 4.720 3.857 1.00 0.00 C ATOM 596 C LEU A 38 3.665 5.876 4.354 1.00 0.00 C ATOM 597 O LEU A 38 3.196 7.007 4.415 1.00 0.00 O ATOM 598 CB LEU A 38 2.192 3.887 5.018 1.00 0.00 C ATOM 599 CG LEU A 38 1.727 4.645 6.290 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.744 3.789 7.093 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.872 4.966 7.260 1.00 0.00 C ATOM 0 H LEU A 38 3.477 2.845 3.230 1.00 0.00 H new ATOM 0 HA LEU A 38 1.963 5.193 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.340 3.329 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.941 3.155 5.320 1.00 0.00 H new ATOM 0 HG LEU A 38 1.282 5.568 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.428 4.335 7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.127 3.561 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.230 2.860 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.477 5.496 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.344 4.039 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.610 5.592 6.758 1.00 0.00 H new ATOM 613 N GLU A 39 4.936 5.618 4.689 1.00 0.00 N ATOM 614 CA GLU A 39 5.874 6.651 5.178 1.00 0.00 C ATOM 615 C GLU A 39 6.309 7.593 4.058 1.00 0.00 C ATOM 616 O GLU A 39 6.223 8.811 4.207 1.00 0.00 O ATOM 617 CB GLU A 39 7.101 6.009 5.846 1.00 0.00 C ATOM 618 CG GLU A 39 6.769 5.542 7.263 1.00 0.00 C ATOM 619 CD GLU A 39 7.964 4.829 7.888 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.957 5.515 8.219 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.900 3.594 8.075 1.00 0.00 O ATOM 0 H GLU A 39 5.349 4.687 4.630 1.00 0.00 H new ATOM 0 HA GLU A 39 5.343 7.242 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.443 5.162 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.920 6.727 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.487 6.398 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.910 4.871 7.239 1.00 0.00 H new ATOM 628 N ILE A 40 6.688 7.041 2.904 1.00 0.00 N ATOM 629 CA ILE A 40 7.093 7.809 1.713 1.00 0.00 C ATOM 630 C ILE A 40 5.952 8.734 1.222 1.00 0.00 C ATOM 631 O ILE A 40 6.153 9.934 1.025 1.00 0.00 O ATOM 632 CB ILE A 40 7.585 6.831 0.613 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.823 6.021 1.079 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.941 7.593 -0.679 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.063 4.740 0.268 1.00 0.00 C ATOM 0 H ILE A 40 6.725 6.031 2.763 1.00 0.00 H new ATOM 0 HA ILE A 40 7.921 8.469 1.972 1.00 0.00 H new ATOM 0 HB ILE A 40 6.766 6.139 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.707 6.655 1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.700 5.758 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.283 6.887 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.060 8.119 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.732 8.313 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.945 4.227 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.196 4.086 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.219 4.997 -0.780 1.00 0.00 H new ATOM 647 N LEU A 41 4.732 8.208 1.095 1.00 0.00 N ATOM 648 CA LEU A 41 3.529 8.937 0.682 1.00 0.00 C ATOM 649 C LEU A 41 2.983 9.872 1.779 1.00 0.00 C ATOM 650 O LEU A 41 2.427 10.911 1.441 1.00 0.00 O ATOM 651 CB LEU A 41 2.446 7.933 0.236 1.00 0.00 C ATOM 652 CG LEU A 41 2.573 7.359 -1.194 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.002 8.341 -2.219 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.992 7.002 -1.641 1.00 0.00 C ATOM 0 H LEU A 41 4.547 7.223 1.284 1.00 0.00 H new ATOM 0 HA LEU A 41 3.808 9.579 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.446 7.099 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.475 8.421 0.321 1.00 0.00 H new ATOM 0 HG LEU A 41 2.009 6.427 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.100 7.920 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.949 8.521 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.550 9.282 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.965 6.609 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.618 7.894 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.406 6.248 -0.971 1.00 0.00 H new ATOM 666 N LYS A 42 3.182 9.607 3.073 1.00 0.00 N ATOM 667 CA LYS A 42 2.862 10.602 4.113 1.00 0.00 C ATOM 668 C LYS A 42 3.811 11.815 4.045 1.00 0.00 C ATOM 669 O LYS A 42 3.388 12.956 4.251 1.00 0.00 O ATOM 670 CB LYS A 42 2.937 9.982 5.515 1.00 0.00 C ATOM 671 CG LYS A 42 1.611 9.351 5.971 1.00 0.00 C ATOM 672 CD LYS A 42 1.781 8.805 7.397 1.00 0.00 C ATOM 673 CE LYS A 42 0.434 8.572 8.090 1.00 0.00 C ATOM 674 NZ LYS A 42 0.587 8.533 9.562 1.00 0.00 N ATOM 0 H LYS A 42 3.557 8.727 3.427 1.00 0.00 H new ATOM 0 HA LYS A 42 1.843 10.939 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.717 9.221 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.231 10.751 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.813 10.092 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.323 8.548 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.337 7.868 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.374 9.506 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.261 9.365 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.001 7.634 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.341 8.374 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.232 7.760 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.978 9.438 9.894 1.00 0.00 H new ATOM 688 N SER A 43 5.084 11.584 3.707 1.00 0.00 N ATOM 689 CA SER A 43 6.067 12.644 3.457 1.00 0.00 C ATOM 690 C SER A 43 5.797 13.462 2.173 1.00 0.00 C ATOM 691 O SER A 43 6.221 14.619 2.100 1.00 0.00 O ATOM 692 CB SER A 43 7.480 12.036 3.399 1.00 0.00 C ATOM 693 OG SER A 43 8.029 11.885 4.700 1.00 0.00 O ATOM 0 H SER A 43 5.465 10.644 3.598 1.00 0.00 H new ATOM 0 HA SER A 43 5.980 13.344 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.441 11.066 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.129 12.675 2.800 1.00 0.00 H new ATOM 0 HG SER A 43 8.926 11.495 4.633 1.00 0.00 H new ATOM 699 N LYS A 44 5.102 12.908 1.163 1.00 0.00 N ATOM 700 CA LYS A 44 4.852 13.574 -0.133 1.00 0.00 C ATOM 701 C LYS A 44 3.710 12.912 -0.952 1.00 0.00 C ATOM 702 O LYS A 44 3.936 12.238 -1.961 1.00 0.00 O ATOM 703 CB LYS A 44 6.185 13.707 -0.917 1.00 0.00 C ATOM 704 CG LYS A 44 6.374 15.063 -1.626 1.00 0.00 C ATOM 705 CD LYS A 44 5.946 15.119 -3.104 1.00 0.00 C ATOM 706 CE LYS A 44 4.518 15.641 -3.314 1.00 0.00 C ATOM 707 NZ LYS A 44 4.236 15.872 -4.748 1.00 0.00 N ATOM 0 H LYS A 44 4.693 11.976 1.222 1.00 0.00 H new ATOM 0 HA LYS A 44 4.480 14.579 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.015 13.552 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.236 12.912 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.812 15.819 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.426 15.340 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.641 15.757 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.025 14.121 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.803 14.923 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.383 16.570 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.264 16.224 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.904 16.575 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.342 14.979 -5.271 1.00 0.00 H new ATOM 721 N GLN A 45 2.466 13.075 -0.490 1.00 0.00 N ATOM 722 CA GLN A 45 1.241 12.557 -1.140 1.00 0.00 C ATOM 723 C GLN A 45 0.851 13.310 -2.431 1.00 0.00 C ATOM 724 O GLN A 45 1.445 14.333 -2.784 1.00 0.00 O ATOM 725 CB GLN A 45 0.058 12.525 -0.144 1.00 0.00 C ATOM 726 CG GLN A 45 -0.311 13.874 0.499 1.00 0.00 C ATOM 727 CD GLN A 45 -0.091 13.846 2.000 1.00 0.00 C ATOM 728 OE1 GLN A 45 -0.933 13.382 2.758 1.00 0.00 O ATOM 729 NE2 GLN A 45 1.041 14.323 2.475 1.00 0.00 N ATOM 0 H GLN A 45 2.270 13.585 0.371 1.00 0.00 H new ATOM 0 HA GLN A 45 1.478 11.539 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.819 12.139 -0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.295 11.818 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.290 14.668 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.354 14.108 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.739 14.708 1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.220 14.307 3.479 1.00 0.00 H new ATOM 738 N LYS A 46 -0.186 12.817 -3.117 1.00 0.00 N ATOM 739 CA LYS A 46 -0.790 13.447 -4.302 1.00 0.00 C ATOM 740 C LYS A 46 -2.327 13.266 -4.350 1.00 0.00 C ATOM 741 O LYS A 46 -3.058 14.252 -4.493 1.00 0.00 O ATOM 742 CB LYS A 46 -0.138 12.836 -5.556 1.00 0.00 C ATOM 743 CG LYS A 46 -0.485 13.609 -6.840 1.00 0.00 C ATOM 744 CD LYS A 46 -0.622 12.664 -8.046 1.00 0.00 C ATOM 745 CE LYS A 46 -0.747 13.437 -9.366 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.012 14.198 -9.473 1.00 0.00 N ATOM 0 H LYS A 46 -0.643 11.943 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.609 14.521 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.944 12.820 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.462 11.800 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.417 14.155 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.290 14.348 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.245 12.005 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.498 12.029 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.093 14.125 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.679 12.737 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.040 14.699 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.817 13.543 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.069 14.888 -8.697 1.00 0.00 H new ATOM 760 N GLU A 47 -2.804 12.022 -4.156 1.00 0.00 N ATOM 761 CA GLU A 47 -4.221 11.589 -4.232 1.00 0.00 C ATOM 762 C GLU A 47 -4.908 11.917 -5.575 1.00 0.00 C ATOM 763 O GLU A 47 -4.194 12.132 -6.581 1.00 0.00 O ATOM 764 CB GLU A 47 -4.988 12.130 -3.005 1.00 0.00 C ATOM 765 CG GLU A 47 -5.993 11.127 -2.438 1.00 0.00 C ATOM 766 CD GLU A 47 -6.706 11.731 -1.236 1.00 0.00 C ATOM 767 OE1 GLU A 47 -6.184 11.602 -0.105 1.00 0.00 O ATOM 768 OE2 GLU A 47 -7.792 12.327 -1.422 1.00 0.00 O ATOM 769 OXT GLU A 47 -6.156 11.890 -5.644 1.00 0.00 O ATOM 0 H GLU A 47 -2.181 11.247 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.238 10.500 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.274 12.399 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.513 13.043 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.719 10.855 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.480 10.211 -2.145 1.00 0.00 H new TER 776 GLU A 47