USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl -141:sc= -0.434 (180deg=-0.924) USER MOD Set 1.2: A 63 CYS SG : rot 132:sc= -1.41 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.0644 (180deg=-0.403) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 3:sc= -0.262 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 150:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -56:sc= 0.445 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.573 USER MOD Single : A 57 ASN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 61 SER OG : rot -104:sc= 0.898 USER MOD Single : A 64 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.66) USER MOD Single : A 66 ASN : amide:sc= 0.0506 X(o=0.051,f=0) USER MOD Single : A 70 MET CE :methyl -119:sc= -1.14 (180deg=-4.32!) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0927 (180deg=-0.442) USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= 0.397 (180deg=-0.623) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.249 -1.297 -3.364 1.00 0.00 N ATOM 24 CA ASP A 3 8.070 -1.246 -4.567 1.00 0.00 C ATOM 25 C ASP A 3 8.938 -2.496 -4.685 1.00 0.00 C ATOM 26 O ASP A 3 9.058 -3.080 -5.762 1.00 0.00 O ATOM 27 CB ASP A 3 8.952 0.003 -4.557 1.00 0.00 C ATOM 28 CG ASP A 3 8.161 1.268 -4.286 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.001 1.352 -4.741 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.702 2.173 -3.617 1.00 0.00 O ATOM 0 HA ASP A 3 7.405 -1.204 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.726 -0.108 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.459 0.094 -5.518 1.00 0.00 H new ATOM 35 N MET A 4 9.542 -2.898 -3.572 1.00 0.00 N ATOM 36 CA MET A 4 10.399 -4.078 -3.551 1.00 0.00 C ATOM 37 C MET A 4 9.886 -5.104 -2.546 1.00 0.00 C ATOM 38 O MET A 4 10.099 -6.305 -2.710 1.00 0.00 O ATOM 39 CB MET A 4 11.836 -3.684 -3.207 1.00 0.00 C ATOM 40 CG MET A 4 11.979 -3.042 -1.837 1.00 0.00 C ATOM 41 SD MET A 4 11.772 -1.251 -1.884 1.00 0.00 S ATOM 42 CE MET A 4 13.208 -0.770 -2.841 1.00 0.00 C ATOM 0 H MET A 4 9.454 -2.424 -2.673 1.00 0.00 H new ATOM 0 HA MET A 4 10.381 -4.528 -4.544 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.468 -4.571 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.205 -2.992 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.241 -3.472 -1.160 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.962 -3.280 -1.429 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.628 0.148 -2.430 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.956 -1.562 -2.798 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.915 -0.603 -3.878 1.00 0.00 H new ATOM 52 N GLU A 5 9.209 -4.623 -1.508 1.00 0.00 N ATOM 53 CA GLU A 5 8.667 -5.501 -0.477 1.00 0.00 C ATOM 54 C GLU A 5 7.515 -6.338 -1.026 1.00 0.00 C ATOM 55 O GLU A 5 7.108 -7.327 -0.416 1.00 0.00 O ATOM 56 CB GLU A 5 8.190 -4.681 0.723 1.00 0.00 C ATOM 57 CG GLU A 5 9.290 -3.858 1.374 1.00 0.00 C ATOM 58 CD GLU A 5 10.110 -4.661 2.365 1.00 0.00 C ATOM 59 OE1 GLU A 5 9.611 -5.703 2.841 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.250 -4.249 2.664 1.00 0.00 O ATOM 0 H GLU A 5 9.023 -3.631 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 5 9.461 -6.175 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.390 -4.014 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.764 -5.355 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.948 -3.461 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.846 -3.003 1.884 1.00 0.00 H new ATOM 67 N ARG A 6 6.994 -5.933 -2.179 1.00 0.00 N ATOM 68 CA ARG A 6 5.888 -6.644 -2.810 1.00 0.00 C ATOM 69 C ARG A 6 6.404 -7.748 -3.727 1.00 0.00 C ATOM 70 O ARG A 6 5.660 -8.655 -4.103 1.00 0.00 O ATOM 71 CB ARG A 6 5.016 -5.671 -3.605 1.00 0.00 C ATOM 72 CG ARG A 6 3.695 -6.270 -4.061 1.00 0.00 C ATOM 73 CD ARG A 6 2.752 -6.494 -2.889 1.00 0.00 C ATOM 74 NE ARG A 6 1.880 -5.345 -2.661 1.00 0.00 N ATOM 75 CZ ARG A 6 0.794 -5.092 -3.382 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.448 -5.903 -4.373 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.051 -4.026 -3.114 1.00 0.00 N ATOM 0 H ARG A 6 7.320 -5.116 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 6 5.287 -7.101 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.815 -4.793 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.571 -5.329 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.224 -5.607 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.879 -7.217 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.144 -7.379 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.333 -6.692 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 6 2.118 -4.701 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.017 -6.723 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.387 -5.706 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.314 -3.399 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.783 -3.833 -3.669 1.00 0.00 H new ATOM 91 N ILE A 7 7.681 -7.666 -4.084 1.00 0.00 N ATOM 92 CA ILE A 7 8.296 -8.658 -4.957 1.00 0.00 C ATOM 93 C ILE A 7 9.219 -9.584 -4.172 1.00 0.00 C ATOM 94 O ILE A 7 9.259 -10.791 -4.415 1.00 0.00 O ATOM 95 CB ILE A 7 9.099 -7.992 -6.090 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.566 -6.584 -6.362 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.038 -8.840 -7.351 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.242 -5.896 -7.527 1.00 0.00 C ATOM 0 H ILE A 7 8.310 -6.922 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 7 7.484 -9.241 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 7 10.141 -7.912 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.495 -6.641 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.696 -5.976 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.610 -8.356 -8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.460 -9.824 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.000 -8.948 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.814 -4.903 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.310 -5.807 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.090 -6.482 -8.433 1.00 0.00 H new ATOM 110 N PHE A 8 9.958 -9.012 -3.228 1.00 0.00 N ATOM 111 CA PHE A 8 10.881 -9.786 -2.405 1.00 0.00 C ATOM 112 C PHE A 8 10.166 -10.963 -1.747 1.00 0.00 C ATOM 113 O PHE A 8 10.475 -12.123 -2.020 1.00 0.00 O ATOM 114 CB PHE A 8 11.513 -8.895 -1.334 1.00 0.00 C ATOM 115 CG PHE A 8 12.217 -9.665 -0.253 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.234 -10.552 -0.565 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.860 -9.501 1.076 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.884 -11.261 0.427 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.507 -10.207 2.073 1.00 0.00 C ATOM 120 CZ PHE A 8 13.519 -11.090 1.748 1.00 0.00 C ATOM 0 H PHE A 8 9.936 -8.015 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 8 11.666 -10.176 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.223 -8.218 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.737 -8.277 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.523 -10.691 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.068 -8.814 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.677 -11.948 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.222 -10.069 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.023 -11.645 2.525 1.00 0.00 H new ATOM 130 N LYS A 9 9.210 -10.655 -0.877 1.00 0.00 N ATOM 131 CA LYS A 9 8.450 -11.685 -0.179 1.00 0.00 C ATOM 132 C LYS A 9 7.793 -12.642 -1.169 1.00 0.00 C ATOM 133 O LYS A 9 7.682 -13.840 -0.909 1.00 0.00 O ATOM 134 CB LYS A 9 7.383 -11.045 0.712 1.00 0.00 C ATOM 135 CG LYS A 9 7.937 -10.462 2.001 1.00 0.00 C ATOM 136 CD LYS A 9 7.185 -9.208 2.414 1.00 0.00 C ATOM 137 CE LYS A 9 5.758 -9.527 2.834 1.00 0.00 C ATOM 138 NZ LYS A 9 5.697 -10.081 4.214 1.00 0.00 N ATOM 0 H LYS A 9 8.943 -9.700 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 9 9.142 -12.252 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.880 -10.256 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.629 -11.793 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.871 -11.205 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.994 -10.228 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.708 -8.723 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.172 -8.501 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.152 -8.622 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.325 -10.243 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.708 -10.285 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.254 -10.958 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.086 -9.387 4.884 1.00 0.00 H new ATOM 152 N ARG A 10 7.360 -12.105 -2.305 1.00 0.00 N ATOM 153 CA ARG A 10 6.715 -12.911 -3.334 1.00 0.00 C ATOM 154 C ARG A 10 7.622 -14.055 -3.777 1.00 0.00 C ATOM 155 O ARG A 10 7.195 -15.208 -3.849 1.00 0.00 O ATOM 156 CB ARG A 10 6.347 -12.041 -4.538 1.00 0.00 C ATOM 157 CG ARG A 10 4.849 -11.902 -4.754 1.00 0.00 C ATOM 158 CD ARG A 10 4.155 -11.365 -3.512 1.00 0.00 C ATOM 159 NE ARG A 10 2.887 -10.715 -3.832 1.00 0.00 N ATOM 160 CZ ARG A 10 2.061 -10.224 -2.914 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.368 -10.310 -1.627 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.925 -9.646 -3.284 1.00 0.00 N ATOM 0 H ARG A 10 7.444 -11.115 -2.536 1.00 0.00 H new ATOM 0 HA ARG A 10 5.805 -13.336 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.780 -11.050 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.797 -12.467 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.662 -11.234 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.427 -12.872 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.977 -12.183 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.810 -10.654 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 10 2.621 -10.633 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.240 -10.754 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.732 -9.932 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.686 -9.579 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.291 -9.269 -2.579 1.00 0.00 H new ATOM 176 N PHE A 11 8.875 -13.728 -4.074 1.00 0.00 N ATOM 177 CA PHE A 11 9.843 -14.727 -4.512 1.00 0.00 C ATOM 178 C PHE A 11 10.387 -15.515 -3.324 1.00 0.00 C ATOM 179 O PHE A 11 10.863 -16.640 -3.476 1.00 0.00 O ATOM 180 CB PHE A 11 10.994 -14.058 -5.265 1.00 0.00 C ATOM 181 CG PHE A 11 10.605 -13.542 -6.620 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.084 -14.397 -7.578 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.759 -12.202 -6.936 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.725 -13.924 -8.826 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.401 -11.723 -8.183 1.00 0.00 C ATOM 186 CZ PHE A 11 9.883 -12.586 -9.129 1.00 0.00 C ATOM 0 H PHE A 11 9.244 -12.779 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 11 9.334 -15.420 -5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.377 -13.231 -4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.808 -14.774 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.957 -15.444 -7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.163 -11.523 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.321 -14.601 -9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.526 -10.676 -8.417 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.602 -12.215 -10.104 1.00 0.00 H new ATOM 196 N ASP A 12 10.313 -14.915 -2.141 1.00 0.00 N ATOM 197 CA ASP A 12 10.797 -15.559 -0.925 1.00 0.00 C ATOM 198 C ASP A 12 9.765 -16.543 -0.383 1.00 0.00 C ATOM 199 O ASP A 12 9.321 -16.428 0.760 1.00 0.00 O ATOM 200 CB ASP A 12 11.127 -14.510 0.137 1.00 0.00 C ATOM 201 CG ASP A 12 12.059 -15.042 1.208 1.00 0.00 C ATOM 202 OD1 ASP A 12 11.832 -16.174 1.683 1.00 0.00 O ATOM 203 OD2 ASP A 12 13.017 -14.326 1.570 1.00 0.00 O ATOM 0 H ASP A 12 9.923 -13.984 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 12 11.704 -16.111 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.585 -13.645 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.203 -14.165 0.602 1.00 0.00 H new ATOM 208 N THR A 13 9.385 -17.511 -1.212 1.00 0.00 N ATOM 209 CA THR A 13 8.404 -18.514 -0.817 1.00 0.00 C ATOM 210 C THR A 13 9.084 -19.796 -0.353 1.00 0.00 C ATOM 211 O THR A 13 8.559 -20.892 -0.543 1.00 0.00 O ATOM 212 CB THR A 13 7.444 -18.846 -1.975 1.00 0.00 C ATOM 213 OG1 THR A 13 8.161 -18.876 -3.213 1.00 0.00 O ATOM 214 CG2 THR A 13 6.322 -17.821 -2.058 1.00 0.00 C ATOM 0 H THR A 13 9.742 -17.621 -2.161 1.00 0.00 H new ATOM 0 HA THR A 13 7.833 -18.090 0.009 1.00 0.00 H new ATOM 0 HB THR A 13 7.007 -19.826 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.544 -19.089 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.657 -18.076 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.759 -17.821 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.745 -16.831 -2.226 1.00 0.00 H new ATOM 255 N GLY A 17 14.672 -16.920 3.573 1.00 0.00 N ATOM 256 CA GLY A 17 16.099 -17.052 3.341 1.00 0.00 C ATOM 257 C GLY A 17 16.563 -16.272 2.127 1.00 0.00 C ATOM 258 O GLY A 17 17.004 -15.129 2.246 1.00 0.00 O ATOM 0 HA2 GLY A 17 16.641 -16.705 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.347 -18.105 3.209 1.00 0.00 H new ATOM 262 N LYS A 18 16.466 -16.891 0.955 1.00 0.00 N ATOM 263 CA LYS A 18 16.880 -16.248 -0.286 1.00 0.00 C ATOM 264 C LYS A 18 15.851 -16.480 -1.388 1.00 0.00 C ATOM 265 O LYS A 18 14.880 -17.213 -1.199 1.00 0.00 O ATOM 266 CB LYS A 18 18.245 -16.778 -0.729 1.00 0.00 C ATOM 267 CG LYS A 18 19.340 -16.577 0.305 1.00 0.00 C ATOM 268 CD LYS A 18 20.227 -17.805 0.424 1.00 0.00 C ATOM 269 CE LYS A 18 19.799 -18.690 1.585 1.00 0.00 C ATOM 270 NZ LYS A 18 20.007 -18.021 2.899 1.00 0.00 N ATOM 0 H LYS A 18 16.104 -17.838 0.839 1.00 0.00 H new ATOM 0 HA LYS A 18 16.956 -15.176 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.158 -17.841 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.535 -16.281 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.947 -15.714 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.891 -16.356 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.187 -18.375 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.263 -17.495 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.747 -18.952 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.364 -19.622 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 20.136 -18.741 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 20.853 -17.418 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.178 -17.436 3.126 1.00 0.00 H new ATOM 284 N ILE A 19 16.071 -15.853 -2.539 1.00 0.00 N ATOM 285 CA ILE A 19 15.164 -15.994 -3.671 1.00 0.00 C ATOM 286 C ILE A 19 15.918 -16.409 -4.931 1.00 0.00 C ATOM 287 O ILE A 19 17.004 -15.902 -5.212 1.00 0.00 O ATOM 288 CB ILE A 19 14.403 -14.685 -3.950 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.388 -13.542 -4.208 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.486 -14.347 -2.784 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.715 -12.215 -4.479 1.00 0.00 C ATOM 0 H ILE A 19 16.870 -15.242 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 19 14.447 -16.771 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 19 13.791 -14.821 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.045 -13.437 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.018 -13.801 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.955 -13.419 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.766 -15.153 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.079 -14.226 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.473 -11.451 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.079 -12.303 -5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.107 -11.933 -3.619 1.00 0.00 H new ATOM 303 N SER A 20 15.333 -17.333 -5.686 1.00 0.00 N ATOM 304 CA SER A 20 15.950 -17.818 -6.916 1.00 0.00 C ATOM 305 C SER A 20 16.322 -16.656 -7.832 1.00 0.00 C ATOM 306 O SER A 20 15.452 -15.946 -8.338 1.00 0.00 O ATOM 307 CB SER A 20 15.002 -18.773 -7.644 1.00 0.00 C ATOM 308 OG SER A 20 14.880 -20.001 -6.947 1.00 0.00 O ATOM 0 H SER A 20 14.433 -17.761 -5.468 1.00 0.00 H new ATOM 0 HA SER A 20 16.861 -18.354 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.021 -18.309 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.372 -18.959 -8.652 1.00 0.00 H new ATOM 0 HG SER A 20 14.268 -20.593 -7.432 1.00 0.00 H new ATOM 314 N LEU A 21 17.620 -16.467 -8.039 1.00 0.00 N ATOM 315 CA LEU A 21 18.110 -15.391 -8.895 1.00 0.00 C ATOM 316 C LEU A 21 17.731 -15.639 -10.351 1.00 0.00 C ATOM 317 O LEU A 21 16.937 -14.898 -10.931 1.00 0.00 O ATOM 318 CB LEU A 21 19.628 -15.262 -8.765 1.00 0.00 C ATOM 319 CG LEU A 21 20.244 -13.984 -9.337 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.710 -14.203 -9.677 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.472 -13.523 -10.565 1.00 0.00 C ATOM 0 H LEU A 21 18.353 -17.044 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 21 17.644 -14.460 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.889 -15.326 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.089 -16.117 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 21 20.182 -13.203 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.131 -13.283 -10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.254 -14.485 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.797 -14.999 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.924 -12.613 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.502 -14.302 -11.327 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.436 -13.324 -10.290 1.00 0.00 H new ATOM 333 N SER A 22 18.304 -16.686 -10.937 1.00 0.00 N ATOM 334 CA SER A 22 18.027 -17.030 -12.326 1.00 0.00 C ATOM 335 C SER A 22 16.526 -17.027 -12.599 1.00 0.00 C ATOM 336 O SER A 22 16.093 -16.908 -13.744 1.00 0.00 O ATOM 337 CB SER A 22 18.616 -18.402 -12.661 1.00 0.00 C ATOM 338 OG SER A 22 18.446 -18.709 -14.034 1.00 0.00 O ATOM 0 H SER A 22 18.963 -17.310 -10.471 1.00 0.00 H new ATOM 0 HA SER A 22 18.494 -16.277 -12.961 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.677 -18.417 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.134 -19.167 -12.052 1.00 0.00 H new ATOM 0 HG SER A 22 18.832 -19.590 -14.222 1.00 0.00 H new ATOM 344 N GLU A 23 15.738 -17.160 -11.537 1.00 0.00 N ATOM 345 CA GLU A 23 14.285 -17.174 -11.661 1.00 0.00 C ATOM 346 C GLU A 23 13.717 -15.762 -11.557 1.00 0.00 C ATOM 347 O GLU A 23 12.686 -15.450 -12.154 1.00 0.00 O ATOM 348 CB GLU A 23 13.667 -18.066 -10.582 1.00 0.00 C ATOM 349 CG GLU A 23 14.038 -19.533 -10.718 1.00 0.00 C ATOM 350 CD GLU A 23 13.441 -20.173 -11.956 1.00 0.00 C ATOM 351 OE1 GLU A 23 12.235 -20.496 -11.933 1.00 0.00 O ATOM 352 OE2 GLU A 23 14.179 -20.351 -12.948 1.00 0.00 O ATOM 0 H GLU A 23 16.081 -17.260 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 23 14.033 -17.577 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.984 -17.709 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.582 -17.969 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.123 -19.628 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.698 -20.073 -9.834 1.00 0.00 H new ATOM 359 N LEU A 24 14.395 -14.913 -10.794 1.00 0.00 N ATOM 360 CA LEU A 24 13.959 -13.533 -10.610 1.00 0.00 C ATOM 361 C LEU A 24 14.142 -12.728 -11.892 1.00 0.00 C ATOM 362 O LEU A 24 13.199 -12.115 -12.394 1.00 0.00 O ATOM 363 CB LEU A 24 14.738 -12.879 -9.468 1.00 0.00 C ATOM 364 CG LEU A 24 14.275 -11.482 -9.052 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.592 -11.228 -7.587 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.921 -10.422 -9.932 1.00 0.00 C ATOM 0 H LEU A 24 15.249 -15.156 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 24 12.898 -13.544 -10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.683 -13.532 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.787 -12.821 -9.757 1.00 0.00 H new ATOM 0 HG LEU A 24 13.194 -11.425 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.255 -10.229 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.081 -11.967 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.668 -11.305 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.580 -9.434 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.005 -10.479 -9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.641 -10.592 -10.972 1.00 0.00 H new ATOM 378 N THR A 25 15.362 -12.735 -12.420 1.00 0.00 N ATOM 379 CA THR A 25 15.670 -12.007 -13.645 1.00 0.00 C ATOM 380 C THR A 25 14.705 -12.382 -14.764 1.00 0.00 C ATOM 381 O THR A 25 14.475 -11.600 -15.687 1.00 0.00 O ATOM 382 CB THR A 25 17.112 -12.278 -14.112 1.00 0.00 C ATOM 383 OG1 THR A 25 17.440 -11.419 -15.210 1.00 0.00 O ATOM 384 CG2 THR A 25 17.282 -13.731 -14.530 1.00 0.00 C ATOM 0 H THR A 25 16.154 -13.237 -12.018 1.00 0.00 H new ATOM 0 HA THR A 25 15.564 -10.946 -13.418 1.00 0.00 H new ATOM 0 HB THR A 25 17.785 -12.076 -13.279 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.691 -10.812 -15.386 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.309 -13.898 -14.856 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.059 -14.381 -13.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.600 -13.956 -15.350 1.00 0.00 H new ATOM 392 N ASP A 26 14.144 -13.583 -14.677 1.00 0.00 N ATOM 393 CA ASP A 26 13.202 -14.062 -15.682 1.00 0.00 C ATOM 394 C ASP A 26 11.763 -13.848 -15.224 1.00 0.00 C ATOM 395 O ASP A 26 10.840 -13.824 -16.038 1.00 0.00 O ATOM 396 CB ASP A 26 13.444 -15.544 -15.973 1.00 0.00 C ATOM 397 CG ASP A 26 12.944 -15.954 -17.345 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.356 -15.321 -18.339 1.00 0.00 O ATOM 399 OD2 ASP A 26 12.140 -16.907 -17.424 1.00 0.00 O ATOM 0 H ASP A 26 14.325 -14.243 -13.921 1.00 0.00 H new ATOM 0 HA ASP A 26 13.361 -13.490 -16.596 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.511 -15.756 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.946 -16.146 -15.213 1.00 0.00 H new ATOM 404 N ALA A 27 11.580 -13.695 -13.917 1.00 0.00 N ATOM 405 CA ALA A 27 10.254 -13.483 -13.351 1.00 0.00 C ATOM 406 C ALA A 27 9.950 -11.995 -13.207 1.00 0.00 C ATOM 407 O ALA A 27 9.045 -11.605 -12.468 1.00 0.00 O ATOM 408 CB ALA A 27 10.137 -14.180 -12.004 1.00 0.00 C ATOM 0 H ALA A 27 12.334 -13.714 -13.230 1.00 0.00 H new ATOM 0 HA ALA A 27 9.522 -13.913 -14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.141 -14.013 -11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.302 -15.250 -12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.884 -13.777 -11.320 1.00 0.00 H new ATOM 414 N LEU A 28 10.711 -11.170 -13.916 1.00 0.00 N ATOM 415 CA LEU A 28 10.524 -9.724 -13.867 1.00 0.00 C ATOM 416 C LEU A 28 9.719 -9.237 -15.068 1.00 0.00 C ATOM 417 O LEU A 28 8.681 -8.594 -14.913 1.00 0.00 O ATOM 418 CB LEU A 28 11.879 -9.015 -13.826 1.00 0.00 C ATOM 419 CG LEU A 28 12.488 -8.811 -12.438 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.004 -8.915 -12.501 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.067 -7.467 -11.863 1.00 0.00 C ATOM 0 H LEU A 28 11.464 -11.477 -14.532 1.00 0.00 H new ATOM 0 HA LEU A 28 9.968 -9.486 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.584 -9.586 -14.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.771 -8.040 -14.300 1.00 0.00 H new ATOM 0 HG LEU A 28 12.117 -9.597 -11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.421 -8.767 -11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.286 -9.901 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.393 -8.151 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.510 -7.339 -10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.409 -6.667 -12.520 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.981 -7.430 -11.781 1.00 0.00 H new ATOM 433 N ARG A 29 10.204 -9.551 -16.265 1.00 0.00 N ATOM 434 CA ARG A 29 9.529 -9.147 -17.492 1.00 0.00 C ATOM 435 C ARG A 29 8.064 -9.574 -17.473 1.00 0.00 C ATOM 436 O ARG A 29 7.196 -8.878 -18.002 1.00 0.00 O ATOM 437 CB ARG A 29 10.232 -9.753 -18.709 1.00 0.00 C ATOM 438 CG ARG A 29 11.037 -8.745 -19.511 1.00 0.00 C ATOM 439 CD ARG A 29 12.235 -9.397 -20.184 1.00 0.00 C ATOM 440 NE ARG A 29 11.875 -10.028 -21.451 1.00 0.00 N ATOM 441 CZ ARG A 29 11.625 -9.350 -22.565 1.00 0.00 C ATOM 442 NH1 ARG A 29 11.697 -8.026 -22.569 1.00 0.00 N ATOM 443 NH2 ARG A 29 11.303 -9.995 -23.679 1.00 0.00 N ATOM 0 H ARG A 29 11.062 -10.084 -16.411 1.00 0.00 H new ATOM 0 HA ARG A 29 9.572 -8.060 -17.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.895 -10.551 -18.375 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.486 -10.209 -19.359 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.399 -8.287 -20.267 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.378 -7.945 -18.854 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.005 -8.646 -20.359 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.664 -10.144 -19.516 1.00 0.00 H new ATOM 0 HE ARG A 29 11.812 -11.046 -21.482 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.945 -7.526 -21.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.505 -7.507 -23.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.247 -11.013 -23.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.111 -9.472 -24.534 1.00 0.00 H new ATOM 457 N THR A 30 7.795 -10.722 -16.860 1.00 0.00 N ATOM 458 CA THR A 30 6.437 -11.242 -16.773 1.00 0.00 C ATOM 459 C THR A 30 5.513 -10.253 -16.073 1.00 0.00 C ATOM 460 O THR A 30 4.377 -10.038 -16.500 1.00 0.00 O ATOM 461 CB THR A 30 6.397 -12.586 -16.020 1.00 0.00 C ATOM 462 OG1 THR A 30 5.045 -13.047 -15.912 1.00 0.00 O ATOM 463 CG2 THR A 30 7.002 -12.446 -14.631 1.00 0.00 C ATOM 0 H THR A 30 8.501 -11.310 -16.416 1.00 0.00 H new ATOM 0 HA THR A 30 6.092 -11.396 -17.795 1.00 0.00 H new ATOM 0 HB THR A 30 6.984 -13.311 -16.584 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.028 -13.902 -15.434 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.963 -13.407 -14.118 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.039 -12.123 -14.717 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.438 -11.708 -14.061 1.00 0.00 H new ATOM 471 N LEU A 31 6.005 -9.651 -14.995 1.00 0.00 N ATOM 472 CA LEU A 31 5.223 -8.682 -14.236 1.00 0.00 C ATOM 473 C LEU A 31 5.015 -7.401 -15.037 1.00 0.00 C ATOM 474 O LEU A 31 4.080 -6.643 -14.784 1.00 0.00 O ATOM 475 CB LEU A 31 5.919 -8.361 -12.911 1.00 0.00 C ATOM 476 CG LEU A 31 6.546 -9.548 -12.179 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.348 -9.070 -10.978 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.473 -10.536 -11.747 1.00 0.00 C ATOM 0 H LEU A 31 6.942 -9.817 -14.627 1.00 0.00 H new ATOM 0 HA LEU A 31 4.247 -9.122 -14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.699 -7.624 -13.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.193 -7.892 -12.247 1.00 0.00 H new ATOM 0 HG LEU A 31 7.224 -10.056 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.787 -9.928 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.141 -8.402 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.691 -8.537 -10.290 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.938 -11.374 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.770 -10.040 -11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.942 -10.903 -12.625 1.00 0.00 H new ATOM 490 N GLY A 32 5.894 -7.167 -16.008 1.00 0.00 N ATOM 491 CA GLY A 32 5.789 -5.979 -16.833 1.00 0.00 C ATOM 492 C GLY A 32 6.963 -5.038 -16.648 1.00 0.00 C ATOM 493 O GLY A 32 6.781 -3.865 -16.321 1.00 0.00 O ATOM 0 H GLY A 32 6.677 -7.780 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.725 -6.273 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.865 -5.454 -16.592 1.00 0.00 H new ATOM 497 N SER A 33 8.170 -5.553 -16.855 1.00 0.00 N ATOM 498 CA SER A 33 9.379 -4.752 -16.703 1.00 0.00 C ATOM 499 C SER A 33 10.083 -4.571 -18.045 1.00 0.00 C ATOM 500 O SER A 33 9.636 -5.088 -19.069 1.00 0.00 O ATOM 501 CB SER A 33 10.330 -5.410 -15.701 1.00 0.00 C ATOM 502 OG SER A 33 11.138 -6.389 -16.331 1.00 0.00 O ATOM 0 H SER A 33 8.337 -6.521 -17.128 1.00 0.00 H new ATOM 0 HA SER A 33 9.090 -3.770 -16.328 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.964 -4.650 -15.244 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.755 -5.871 -14.898 1.00 0.00 H new ATOM 0 HG SER A 33 12.001 -6.447 -15.870 1.00 0.00 H new ATOM 508 N THR A 34 11.188 -3.832 -18.031 1.00 0.00 N ATOM 509 CA THR A 34 11.954 -3.581 -19.245 1.00 0.00 C ATOM 510 C THR A 34 13.452 -3.670 -18.979 1.00 0.00 C ATOM 511 O THR A 34 14.266 -3.312 -19.830 1.00 0.00 O ATOM 512 CB THR A 34 11.631 -2.195 -19.837 1.00 0.00 C ATOM 513 OG1 THR A 34 10.452 -1.663 -19.223 1.00 0.00 O ATOM 514 CG2 THR A 34 11.430 -2.283 -21.342 1.00 0.00 C ATOM 0 H THR A 34 11.572 -3.397 -17.192 1.00 0.00 H new ATOM 0 HA THR A 34 11.669 -4.350 -19.963 1.00 0.00 H new ATOM 0 HB THR A 34 12.474 -1.533 -19.637 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.254 -0.782 -19.603 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.203 -1.293 -21.737 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.340 -2.661 -21.809 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.603 -2.959 -21.560 1.00 0.00 H new ATOM 522 N SER A 35 13.810 -4.150 -17.792 1.00 0.00 N ATOM 523 CA SER A 35 15.211 -4.284 -17.412 1.00 0.00 C ATOM 524 C SER A 35 15.487 -5.667 -16.829 1.00 0.00 C ATOM 525 O SER A 35 16.145 -5.798 -15.798 1.00 0.00 O ATOM 526 CB SER A 35 15.591 -3.205 -16.396 1.00 0.00 C ATOM 527 OG SER A 35 16.982 -3.227 -16.125 1.00 0.00 O ATOM 0 H SER A 35 13.149 -4.453 -17.077 1.00 0.00 H new ATOM 0 HA SER A 35 15.818 -4.159 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.307 -2.225 -16.779 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.035 -3.359 -15.471 1.00 0.00 H new ATOM 0 HG SER A 35 17.242 -4.122 -15.821 1.00 0.00 H new ATOM 533 N ALA A 36 14.978 -6.696 -17.499 1.00 0.00 N ATOM 534 CA ALA A 36 15.170 -8.069 -17.050 1.00 0.00 C ATOM 535 C ALA A 36 16.399 -8.693 -17.702 1.00 0.00 C ATOM 536 O ALA A 36 17.130 -9.456 -17.069 1.00 0.00 O ATOM 537 CB ALA A 36 13.932 -8.901 -17.350 1.00 0.00 C ATOM 0 H ALA A 36 14.430 -6.604 -18.354 1.00 0.00 H new ATOM 0 HA ALA A 36 15.331 -8.053 -15.972 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.090 -9.924 -17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.073 -8.475 -16.832 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.745 -8.901 -18.424 1.00 0.00 H new ATOM 543 N ASP A 37 16.621 -8.365 -18.970 1.00 0.00 N ATOM 544 CA ASP A 37 17.763 -8.893 -19.708 1.00 0.00 C ATOM 545 C ASP A 37 19.005 -8.040 -19.471 1.00 0.00 C ATOM 546 O ASP A 37 20.081 -8.337 -19.989 1.00 0.00 O ATOM 547 CB ASP A 37 17.447 -8.953 -21.203 1.00 0.00 C ATOM 548 CG ASP A 37 17.846 -10.276 -21.827 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.690 -11.318 -21.157 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.315 -10.269 -22.985 1.00 0.00 O ATOM 0 H ASP A 37 16.025 -7.736 -19.508 1.00 0.00 H new ATOM 0 HA ASP A 37 17.963 -9.902 -19.346 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.379 -8.792 -21.352 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.967 -8.142 -21.714 1.00 0.00 H new ATOM 555 N GLU A 38 18.847 -6.978 -18.687 1.00 0.00 N ATOM 556 CA GLU A 38 19.956 -6.081 -18.384 1.00 0.00 C ATOM 557 C GLU A 38 20.760 -6.594 -17.193 1.00 0.00 C ATOM 558 O GLU A 38 21.981 -6.731 -17.267 1.00 0.00 O ATOM 559 CB GLU A 38 19.436 -4.672 -18.093 1.00 0.00 C ATOM 560 CG GLU A 38 18.923 -3.946 -19.326 1.00 0.00 C ATOM 561 CD GLU A 38 20.043 -3.446 -20.217 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.614 -4.265 -20.968 1.00 0.00 O ATOM 563 OE2 GLU A 38 20.350 -2.237 -20.164 1.00 0.00 O ATOM 0 H GLU A 38 17.963 -6.718 -18.251 1.00 0.00 H new ATOM 0 HA GLU A 38 20.611 -6.046 -19.255 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.633 -4.735 -17.358 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.236 -4.084 -17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.281 -4.617 -19.897 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.306 -3.102 -19.016 1.00 0.00 H new ATOM 570 N VAL A 39 20.067 -6.875 -16.094 1.00 0.00 N ATOM 571 CA VAL A 39 20.715 -7.372 -14.887 1.00 0.00 C ATOM 572 C VAL A 39 20.987 -8.869 -14.986 1.00 0.00 C ATOM 573 O VAL A 39 21.783 -9.417 -14.224 1.00 0.00 O ATOM 574 CB VAL A 39 19.858 -7.099 -13.636 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.436 -7.596 -13.845 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.484 -7.748 -12.411 1.00 0.00 C ATOM 0 H VAL A 39 19.056 -6.767 -16.015 1.00 0.00 H new ATOM 0 HA VAL A 39 21.661 -6.839 -14.794 1.00 0.00 H new ATOM 0 HB VAL A 39 19.820 -6.022 -13.469 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.845 -7.395 -12.951 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.992 -7.081 -14.697 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.450 -8.669 -14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.866 -7.545 -11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.553 -8.825 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.482 -7.339 -12.253 1.00 0.00 H new ATOM 586 N GLN A 40 20.321 -9.524 -15.931 1.00 0.00 N ATOM 587 CA GLN A 40 20.491 -10.959 -16.130 1.00 0.00 C ATOM 588 C GLN A 40 21.967 -11.319 -16.261 1.00 0.00 C ATOM 589 O GLN A 40 22.373 -12.439 -15.951 1.00 0.00 O ATOM 590 CB GLN A 40 19.730 -11.416 -17.376 1.00 0.00 C ATOM 591 CG GLN A 40 19.072 -12.778 -17.221 1.00 0.00 C ATOM 592 CD GLN A 40 19.689 -13.830 -18.121 1.00 0.00 C ATOM 593 OE1 GLN A 40 19.631 -13.727 -19.347 1.00 0.00 O ATOM 594 NE2 GLN A 40 20.286 -14.851 -17.516 1.00 0.00 N ATOM 0 H GLN A 40 19.659 -9.085 -16.571 1.00 0.00 H new ATOM 0 HA GLN A 40 20.087 -11.472 -15.257 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.965 -10.677 -17.616 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.418 -11.448 -18.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.153 -13.100 -16.183 1.00 0.00 H new ATOM 0 HG3 GLN A 40 18.009 -12.691 -17.446 1.00 0.00 H new ATOM 0 HE21 GLN A 40 20.311 -14.896 -16.497 1.00 0.00 H new ATOM 0 HE22 GLN A 40 20.720 -15.589 -18.070 1.00 0.00 H new ATOM 603 N ARG A 41 22.766 -10.362 -16.722 1.00 0.00 N ATOM 604 CA ARG A 41 24.197 -10.579 -16.895 1.00 0.00 C ATOM 605 C ARG A 41 25.002 -9.565 -16.088 1.00 0.00 C ATOM 606 O ARG A 41 26.201 -9.392 -16.309 1.00 0.00 O ATOM 607 CB ARG A 41 24.574 -10.484 -18.375 1.00 0.00 C ATOM 608 CG ARG A 41 24.207 -9.154 -19.012 1.00 0.00 C ATOM 609 CD ARG A 41 25.261 -8.706 -20.013 1.00 0.00 C ATOM 610 NE ARG A 41 24.898 -9.055 -21.384 1.00 0.00 N ATOM 611 CZ ARG A 41 25.456 -8.502 -22.455 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.398 -7.581 -22.314 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.072 -8.872 -23.670 1.00 0.00 N ATOM 0 H ARG A 41 22.446 -9.429 -16.982 1.00 0.00 H new ATOM 0 HA ARG A 41 24.434 -11.578 -16.530 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.647 -10.643 -18.479 1.00 0.00 H new ATOM 0 HB3 ARG A 41 24.078 -11.287 -18.920 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.243 -9.243 -19.512 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.095 -8.396 -18.236 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.397 -7.627 -19.938 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.217 -9.166 -19.763 1.00 0.00 H new ATOM 0 HE ARG A 41 24.177 -9.762 -21.527 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.696 -7.295 -21.381 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.825 -7.158 -23.138 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.348 -9.582 -23.782 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.501 -8.447 -24.492 1.00 0.00 H new ATOM 627 N MET A 42 24.335 -8.897 -15.152 1.00 0.00 N ATOM 628 CA MET A 42 24.989 -7.901 -14.312 1.00 0.00 C ATOM 629 C MET A 42 24.676 -8.142 -12.839 1.00 0.00 C ATOM 630 O MET A 42 25.086 -7.369 -11.973 1.00 0.00 O ATOM 631 CB MET A 42 24.547 -6.493 -14.716 1.00 0.00 C ATOM 632 CG MET A 42 24.638 -6.232 -16.210 1.00 0.00 C ATOM 633 SD MET A 42 26.323 -5.890 -16.754 1.00 0.00 S ATOM 634 CE MET A 42 26.197 -4.154 -17.175 1.00 0.00 C ATOM 0 H MET A 42 23.342 -9.028 -14.957 1.00 0.00 H new ATOM 0 HA MET A 42 26.066 -7.991 -14.455 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.519 -6.337 -14.390 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.162 -5.763 -14.190 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.255 -7.098 -16.750 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.999 -5.387 -16.467 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.163 -3.795 -17.530 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.451 -4.023 -17.959 1.00 0.00 H new ATOM 0 HE3 MET A 42 25.900 -3.586 -16.293 1.00 0.00 H new ATOM 644 N MET A 43 23.948 -9.219 -12.562 1.00 0.00 N ATOM 645 CA MET A 43 23.582 -9.561 -11.192 1.00 0.00 C ATOM 646 C MET A 43 24.770 -10.156 -10.444 1.00 0.00 C ATOM 647 O MET A 43 24.846 -10.078 -9.218 1.00 0.00 O ATOM 648 CB MET A 43 22.414 -10.549 -11.186 1.00 0.00 C ATOM 649 CG MET A 43 21.753 -10.701 -9.826 1.00 0.00 C ATOM 650 SD MET A 43 20.637 -9.338 -9.440 1.00 0.00 S ATOM 651 CE MET A 43 19.082 -9.994 -10.040 1.00 0.00 C ATOM 0 H MET A 43 23.600 -9.869 -13.267 1.00 0.00 H new ATOM 0 HA MET A 43 23.278 -8.646 -10.684 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.667 -10.220 -11.909 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.772 -11.524 -11.518 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.198 -11.639 -9.799 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.523 -10.764 -9.057 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.290 -9.264 -9.872 1.00 0.00 H new ATOM 0 HE2 MET A 43 19.163 -10.203 -11.107 1.00 0.00 H new ATOM 0 HE3 MET A 43 18.846 -10.915 -9.507 1.00 0.00 H new ATOM 661 N ALA A 44 25.696 -10.750 -11.190 1.00 0.00 N ATOM 662 CA ALA A 44 26.882 -11.357 -10.596 1.00 0.00 C ATOM 663 C ALA A 44 28.017 -10.345 -10.483 1.00 0.00 C ATOM 664 O ALA A 44 29.160 -10.710 -10.208 1.00 0.00 O ATOM 665 CB ALA A 44 27.324 -12.560 -11.415 1.00 0.00 C ATOM 0 H ALA A 44 25.648 -10.824 -12.206 1.00 0.00 H new ATOM 0 HA ALA A 44 26.626 -11.690 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.210 -13.004 -10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.522 -13.297 -11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.558 -12.242 -12.431 1.00 0.00 H new ATOM 671 N GLU A 45 27.694 -9.073 -10.696 1.00 0.00 N ATOM 672 CA GLU A 45 28.689 -8.010 -10.619 1.00 0.00 C ATOM 673 C GLU A 45 28.169 -6.837 -9.793 1.00 0.00 C ATOM 674 O GLU A 45 28.697 -5.727 -9.871 1.00 0.00 O ATOM 675 CB GLU A 45 29.068 -7.532 -12.022 1.00 0.00 C ATOM 676 CG GLU A 45 27.974 -6.732 -12.709 1.00 0.00 C ATOM 677 CD GLU A 45 28.440 -6.097 -14.004 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.755 -6.845 -14.953 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.491 -4.851 -14.068 1.00 0.00 O ATOM 0 H GLU A 45 26.752 -8.754 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 45 29.576 -8.413 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.968 -6.920 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.314 -8.397 -12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.126 -7.385 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.620 -5.953 -12.034 1.00 0.00 H new ATOM 686 N ILE A 46 27.130 -7.091 -9.005 1.00 0.00 N ATOM 687 CA ILE A 46 26.538 -6.057 -8.165 1.00 0.00 C ATOM 688 C ILE A 46 26.455 -6.510 -6.711 1.00 0.00 C ATOM 689 O ILE A 46 26.632 -5.712 -5.791 1.00 0.00 O ATOM 690 CB ILE A 46 25.128 -5.674 -8.653 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.301 -6.931 -8.928 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.217 -4.808 -9.901 1.00 0.00 C ATOM 693 CD1 ILE A 46 23.005 -6.984 -8.150 1.00 0.00 C ATOM 0 H ILE A 46 26.681 -8.004 -8.931 1.00 0.00 H new ATOM 0 HA ILE A 46 27.187 -5.184 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 46 24.632 -5.100 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.078 -6.983 -9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.898 -7.810 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.213 -4.545 -10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.773 -3.899 -9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.729 -5.359 -10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.471 -7.902 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.221 -6.963 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.388 -6.125 -8.412 1.00 0.00 H new ATOM 705 N ASP A 47 26.187 -7.796 -6.513 1.00 0.00 N ATOM 706 CA ASP A 47 26.083 -8.357 -5.171 1.00 0.00 C ATOM 707 C ASP A 47 26.380 -9.853 -5.183 1.00 0.00 C ATOM 708 O ASP A 47 27.365 -10.307 -4.599 1.00 0.00 O ATOM 709 CB ASP A 47 24.688 -8.106 -4.596 1.00 0.00 C ATOM 710 CG ASP A 47 24.317 -6.636 -4.599 1.00 0.00 C ATOM 711 OD1 ASP A 47 24.920 -5.870 -3.818 1.00 0.00 O ATOM 712 OD2 ASP A 47 23.424 -6.252 -5.382 1.00 0.00 O ATOM 0 H ASP A 47 26.038 -8.469 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 47 26.822 -7.863 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 47 23.953 -8.664 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.645 -8.487 -3.576 1.00 0.00 H new ATOM 717 N THR A 48 25.521 -10.617 -5.851 1.00 0.00 N ATOM 718 CA THR A 48 25.690 -12.062 -5.938 1.00 0.00 C ATOM 719 C THR A 48 27.108 -12.425 -6.364 1.00 0.00 C ATOM 720 O THR A 48 27.542 -12.086 -7.465 1.00 0.00 O ATOM 721 CB THR A 48 24.692 -12.686 -6.932 1.00 0.00 C ATOM 722 OG1 THR A 48 23.715 -11.713 -7.320 1.00 0.00 O ATOM 723 CG2 THR A 48 23.997 -13.891 -6.316 1.00 0.00 C ATOM 0 H THR A 48 24.701 -10.258 -6.340 1.00 0.00 H new ATOM 0 HA THR A 48 25.499 -12.463 -4.943 1.00 0.00 H new ATOM 0 HB THR A 48 25.246 -13.016 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.130 -11.050 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.297 -14.315 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 48 24.740 -14.642 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.455 -13.581 -5.423 1.00 0.00 H new ATOM 731 N ASP A 49 27.825 -13.118 -5.486 1.00 0.00 N ATOM 732 CA ASP A 49 29.194 -13.530 -5.773 1.00 0.00 C ATOM 733 C ASP A 49 29.218 -14.672 -6.784 1.00 0.00 C ATOM 734 O ASP A 49 30.237 -14.926 -7.424 1.00 0.00 O ATOM 735 CB ASP A 49 29.901 -13.957 -4.485 1.00 0.00 C ATOM 736 CG ASP A 49 31.403 -14.069 -4.659 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.870 -15.133 -5.115 1.00 0.00 O ATOM 738 OD2 ASP A 49 32.111 -13.091 -4.340 1.00 0.00 O ATOM 0 H ASP A 49 27.481 -13.406 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 49 29.721 -12.678 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.682 -13.236 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.503 -14.917 -4.157 1.00 0.00 H new ATOM 743 N GLY A 50 28.088 -15.359 -6.920 1.00 0.00 N ATOM 744 CA GLY A 50 28.001 -16.466 -7.854 1.00 0.00 C ATOM 745 C GLY A 50 27.155 -17.607 -7.323 1.00 0.00 C ATOM 746 O GLY A 50 26.822 -18.536 -8.059 1.00 0.00 O ATOM 0 H GLY A 50 27.231 -15.169 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.579 -16.112 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.004 -16.833 -8.073 1.00 0.00 H new ATOM 750 N ASP A 51 26.807 -17.537 -6.043 1.00 0.00 N ATOM 751 CA ASP A 51 25.995 -18.572 -5.414 1.00 0.00 C ATOM 752 C ASP A 51 24.776 -18.902 -6.270 1.00 0.00 C ATOM 753 O ASP A 51 24.336 -20.049 -6.327 1.00 0.00 O ATOM 754 CB ASP A 51 25.549 -18.125 -4.021 1.00 0.00 C ATOM 755 CG ASP A 51 26.618 -18.352 -2.970 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.783 -18.589 -3.351 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.289 -18.291 -1.767 1.00 0.00 O ATOM 0 H ASP A 51 27.074 -16.774 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 51 26.605 -19.470 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.289 -17.067 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.646 -18.668 -3.740 1.00 0.00 H new ATOM 762 N GLY A 52 24.233 -17.886 -6.935 1.00 0.00 N ATOM 763 CA GLY A 52 23.070 -18.088 -7.778 1.00 0.00 C ATOM 764 C GLY A 52 21.785 -17.641 -7.110 1.00 0.00 C ATOM 765 O GLY A 52 20.712 -17.694 -7.712 1.00 0.00 O ATOM 0 H GLY A 52 24.578 -16.927 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.201 -17.539 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.993 -19.144 -8.038 1.00 0.00 H new ATOM 769 N PHE A 53 21.892 -17.201 -5.861 1.00 0.00 N ATOM 770 CA PHE A 53 20.728 -16.746 -5.108 1.00 0.00 C ATOM 771 C PHE A 53 21.047 -15.472 -4.331 1.00 0.00 C ATOM 772 O PHE A 53 22.186 -15.004 -4.327 1.00 0.00 O ATOM 773 CB PHE A 53 20.256 -17.839 -4.147 1.00 0.00 C ATOM 774 CG PHE A 53 19.888 -19.123 -4.833 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.871 -19.994 -5.275 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.560 -19.459 -5.037 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.536 -21.177 -5.907 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.218 -20.640 -5.668 1.00 0.00 C ATOM 779 CZ PHE A 53 19.207 -21.500 -6.104 1.00 0.00 C ATOM 0 H PHE A 53 22.772 -17.150 -5.348 1.00 0.00 H new ATOM 0 HA PHE A 53 19.930 -16.527 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.044 -18.038 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.393 -17.474 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.911 -19.746 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.782 -18.790 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.312 -21.848 -6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.178 -20.890 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.942 -22.423 -6.598 1.00 0.00 H new ATOM 789 N ILE A 54 20.034 -14.917 -3.675 1.00 0.00 N ATOM 790 CA ILE A 54 20.206 -13.698 -2.894 1.00 0.00 C ATOM 791 C ILE A 54 19.283 -13.688 -1.681 1.00 0.00 C ATOM 792 O ILE A 54 18.096 -13.998 -1.789 1.00 0.00 O ATOM 793 CB ILE A 54 19.935 -12.442 -3.743 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.640 -12.610 -4.541 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.106 -12.170 -4.675 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.339 -11.443 -5.455 1.00 0.00 C ATOM 0 H ILE A 54 19.085 -15.292 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 54 21.243 -13.682 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 54 19.821 -11.588 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.705 -13.520 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.810 -12.742 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.899 -11.279 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.010 -12.013 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.249 -13.023 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.407 -11.630 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.242 -10.533 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.151 -11.324 -6.172 1.00 0.00 H new ATOM 808 N ASP A 55 19.834 -13.327 -0.527 1.00 0.00 N ATOM 809 CA ASP A 55 19.059 -13.273 0.707 1.00 0.00 C ATOM 810 C ASP A 55 18.113 -12.076 0.702 1.00 0.00 C ATOM 811 O ASP A 55 16.893 -12.236 0.714 1.00 0.00 O ATOM 812 CB ASP A 55 19.992 -13.197 1.917 1.00 0.00 C ATOM 813 CG ASP A 55 19.274 -12.744 3.173 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.671 -13.600 3.853 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.315 -11.533 3.476 1.00 0.00 O ATOM 0 H ASP A 55 20.815 -13.067 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 55 18.464 -14.184 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.438 -14.176 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.808 -12.508 1.700 1.00 0.00 H new ATOM 820 N PHE A 56 18.685 -10.876 0.686 1.00 0.00 N ATOM 821 CA PHE A 56 17.893 -9.652 0.682 1.00 0.00 C ATOM 822 C PHE A 56 18.756 -8.447 0.319 1.00 0.00 C ATOM 823 O PHE A 56 18.426 -7.685 -0.589 1.00 0.00 O ATOM 824 CB PHE A 56 17.244 -9.435 2.051 1.00 0.00 C ATOM 825 CG PHE A 56 16.376 -8.210 2.115 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.507 -7.907 1.080 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.430 -7.364 3.211 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.708 -6.780 1.137 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.633 -6.236 3.273 1.00 0.00 C ATOM 830 CZ PHE A 56 14.770 -5.945 2.235 1.00 0.00 C ATOM 0 H PHE A 56 19.694 -10.726 0.676 1.00 0.00 H new ATOM 0 HA PHE A 56 17.111 -9.757 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.644 -10.309 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.026 -9.357 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.453 -8.558 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.102 -7.588 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.036 -6.553 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.685 -5.583 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.145 -5.066 2.282 1.00 0.00 H new ATOM 840 N ASN A 57 19.863 -8.282 1.036 1.00 0.00 N ATOM 841 CA ASN A 57 20.774 -7.170 0.790 1.00 0.00 C ATOM 842 C ASN A 57 21.213 -7.138 -0.671 1.00 0.00 C ATOM 843 O ASN A 57 21.263 -6.077 -1.291 1.00 0.00 O ATOM 844 CB ASN A 57 21.999 -7.276 1.700 1.00 0.00 C ATOM 845 CG ASN A 57 22.526 -5.918 2.122 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.641 -5.535 1.769 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.723 -5.182 2.882 1.00 0.00 N ATOM 0 H ASN A 57 20.151 -8.904 1.792 1.00 0.00 H new ATOM 0 HA ASN A 57 20.244 -6.244 1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.740 -7.854 2.587 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.787 -7.823 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.023 -4.259 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.806 -5.539 3.151 1.00 0.00 H new ATOM 854 N GLU A 58 21.529 -8.310 -1.213 1.00 0.00 N ATOM 855 CA GLU A 58 21.964 -8.416 -2.601 1.00 0.00 C ATOM 856 C GLU A 58 20.807 -8.138 -3.556 1.00 0.00 C ATOM 857 O GLU A 58 21.014 -7.893 -4.745 1.00 0.00 O ATOM 858 CB GLU A 58 22.542 -9.807 -2.873 1.00 0.00 C ATOM 859 CG GLU A 58 23.670 -10.192 -1.931 1.00 0.00 C ATOM 860 CD GLU A 58 24.546 -11.295 -2.492 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.017 -12.396 -2.756 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.760 -11.060 -2.665 1.00 0.00 O ATOM 0 H GLU A 58 21.492 -9.198 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 58 22.740 -7.669 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.744 -10.545 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.908 -9.845 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.283 -9.314 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.249 -10.516 -0.979 1.00 0.00 H new ATOM 869 N PHE A 59 19.588 -8.179 -3.028 1.00 0.00 N ATOM 870 CA PHE A 59 18.398 -7.933 -3.833 1.00 0.00 C ATOM 871 C PHE A 59 18.020 -6.455 -3.809 1.00 0.00 C ATOM 872 O PHE A 59 17.538 -5.910 -4.803 1.00 0.00 O ATOM 873 CB PHE A 59 17.228 -8.778 -3.323 1.00 0.00 C ATOM 874 CG PHE A 59 15.883 -8.243 -3.724 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.291 -8.638 -4.913 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.210 -7.345 -2.910 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.054 -8.147 -5.283 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.972 -6.851 -3.276 1.00 0.00 C ATOM 879 CZ PHE A 59 13.393 -7.253 -4.464 1.00 0.00 C ATOM 0 H PHE A 59 19.399 -8.380 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 59 18.621 -8.216 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.333 -9.795 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.278 -8.835 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.802 -9.338 -5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.658 -7.028 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.604 -8.462 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.458 -6.151 -2.634 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.425 -6.869 -4.752 1.00 0.00 H new ATOM 889 N ILE A 60 18.243 -5.812 -2.668 1.00 0.00 N ATOM 890 CA ILE A 60 17.927 -4.397 -2.514 1.00 0.00 C ATOM 891 C ILE A 60 18.997 -3.522 -3.158 1.00 0.00 C ATOM 892 O ILE A 60 18.699 -2.457 -3.699 1.00 0.00 O ATOM 893 CB ILE A 60 17.788 -4.010 -1.030 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.584 -4.717 -0.406 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.655 -2.501 -0.887 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.262 -4.318 -1.023 1.00 0.00 C ATOM 0 H ILE A 60 18.641 -6.248 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 60 16.974 -4.230 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 60 18.686 -4.329 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.713 -5.795 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.558 -4.499 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.558 -2.243 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.541 -2.017 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.771 -2.161 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.453 -4.858 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.111 -3.246 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.268 -4.562 -2.085 1.00 0.00 H new ATOM 908 N SER A 61 20.243 -3.979 -3.097 1.00 0.00 N ATOM 909 CA SER A 61 21.359 -3.237 -3.673 1.00 0.00 C ATOM 910 C SER A 61 21.057 -2.834 -5.114 1.00 0.00 C ATOM 911 O SER A 61 21.033 -1.649 -5.447 1.00 0.00 O ATOM 912 CB SER A 61 22.637 -4.076 -3.623 1.00 0.00 C ATOM 913 OG SER A 61 23.502 -3.752 -4.698 1.00 0.00 O ATOM 0 H SER A 61 20.506 -4.860 -2.655 1.00 0.00 H new ATOM 0 HA SER A 61 21.504 -2.332 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.150 -3.907 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.382 -5.135 -3.663 1.00 0.00 H new ATOM 0 HG SER A 61 23.458 -4.457 -5.377 1.00 0.00 H new ATOM 919 N PHE A 62 20.828 -3.830 -5.964 1.00 0.00 N ATOM 920 CA PHE A 62 20.529 -3.581 -7.370 1.00 0.00 C ATOM 921 C PHE A 62 19.167 -2.911 -7.525 1.00 0.00 C ATOM 922 O PHE A 62 18.835 -2.397 -8.594 1.00 0.00 O ATOM 923 CB PHE A 62 20.560 -4.891 -8.159 1.00 0.00 C ATOM 924 CG PHE A 62 19.233 -5.259 -8.761 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.241 -5.834 -7.983 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.980 -5.032 -10.103 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.019 -6.174 -8.533 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.760 -5.369 -10.659 1.00 0.00 C ATOM 929 CZ PHE A 62 16.779 -5.942 -9.873 1.00 0.00 C ATOM 0 H PHE A 62 20.844 -4.816 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 62 21.291 -2.910 -7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.301 -4.810 -8.954 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.887 -5.695 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.425 -6.019 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.744 -4.587 -10.723 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.253 -6.620 -7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.574 -5.185 -11.707 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.826 -6.208 -10.306 1.00 0.00 H new ATOM 939 N CYS A 63 18.383 -2.923 -6.453 1.00 0.00 N ATOM 940 CA CYS A 63 17.056 -2.318 -6.470 1.00 0.00 C ATOM 941 C CYS A 63 17.143 -0.809 -6.264 1.00 0.00 C ATOM 942 O CYS A 63 16.530 -0.262 -5.348 1.00 0.00 O ATOM 943 CB CYS A 63 16.174 -2.943 -5.388 1.00 0.00 C ATOM 944 SG CYS A 63 14.426 -2.497 -5.511 1.00 0.00 S ATOM 0 H CYS A 63 18.643 -3.345 -5.561 1.00 0.00 H new ATOM 0 HA CYS A 63 16.610 -2.507 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.266 -4.028 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.547 -2.639 -4.410 1.00 0.00 H new ATOM 0 HG CYS A 63 13.697 -3.569 -5.418 1.00 0.00 H new ATOM 950 N ASN A 64 17.909 -0.143 -7.121 1.00 0.00 N ATOM 951 CA ASN A 64 18.078 1.302 -7.031 1.00 0.00 C ATOM 952 C ASN A 64 16.726 2.009 -7.030 1.00 0.00 C ATOM 953 O ASN A 64 16.529 2.991 -6.315 1.00 0.00 O ATOM 954 CB ASN A 64 18.931 1.810 -8.196 1.00 0.00 C ATOM 955 CG ASN A 64 20.269 1.102 -8.285 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.809 0.643 -7.278 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.811 1.010 -9.494 1.00 0.00 N ATOM 0 H ASN A 64 18.423 -0.581 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 64 18.586 1.526 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.386 1.670 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.097 2.881 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.710 0.544 -9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.328 1.405 -10.301 1.00 0.00 H new ATOM 964 N ALA A 65 15.799 1.502 -7.836 1.00 0.00 N ATOM 965 CA ALA A 65 14.465 2.083 -7.926 1.00 0.00 C ATOM 966 C ALA A 65 14.536 3.586 -8.173 1.00 0.00 C ATOM 967 O ALA A 65 13.662 4.337 -7.742 1.00 0.00 O ATOM 968 CB ALA A 65 13.676 1.791 -6.659 1.00 0.00 C ATOM 0 H ALA A 65 15.947 0.690 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 65 13.953 1.626 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.682 2.231 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.586 0.713 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.194 2.220 -5.801 1.00 0.00 H new ATOM 974 N ASN A 66 15.584 4.018 -8.867 1.00 0.00 N ATOM 975 CA ASN A 66 15.769 5.433 -9.169 1.00 0.00 C ATOM 976 C ASN A 66 14.940 5.843 -10.382 1.00 0.00 C ATOM 977 O ASN A 66 14.003 6.636 -10.285 1.00 0.00 O ATOM 978 CB ASN A 66 17.248 5.731 -9.424 1.00 0.00 C ATOM 979 CG ASN A 66 17.897 6.468 -8.268 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.535 7.503 -8.457 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.736 5.935 -7.063 1.00 0.00 N ATOM 0 H ASN A 66 16.317 3.409 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 66 15.431 6.010 -8.308 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.779 4.796 -9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.345 6.327 -10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.150 6.385 -6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.199 5.075 -6.953 1.00 0.00 H new ATOM 988 N PRO A 67 15.290 5.291 -11.553 1.00 0.00 N ATOM 989 CA PRO A 67 14.590 5.583 -12.808 1.00 0.00 C ATOM 990 C PRO A 67 13.185 4.993 -12.838 1.00 0.00 C ATOM 991 O PRO A 67 12.395 5.291 -13.734 1.00 0.00 O ATOM 992 CB PRO A 67 15.472 4.920 -13.869 1.00 0.00 C ATOM 993 CG PRO A 67 16.185 3.832 -13.143 1.00 0.00 C ATOM 994 CD PRO A 67 16.397 4.338 -11.743 1.00 0.00 C ATOM 0 HA PRO A 67 14.452 6.654 -12.958 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.874 4.523 -14.689 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.174 5.633 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.598 2.914 -13.141 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.136 3.601 -13.623 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.360 3.529 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.367 4.822 -11.633 1.00 0.00 H new ATOM 1002 N GLY A 68 12.878 4.155 -11.853 1.00 0.00 N ATOM 1003 CA GLY A 68 11.566 3.537 -11.786 1.00 0.00 C ATOM 1004 C GLY A 68 11.555 2.138 -12.368 1.00 0.00 C ATOM 1005 O GLY A 68 10.560 1.709 -12.955 1.00 0.00 O ATOM 0 H GLY A 68 13.514 3.893 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.239 3.498 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.848 4.157 -12.323 1.00 0.00 H new ATOM 1009 N LEU A 69 12.663 1.423 -12.207 1.00 0.00 N ATOM 1010 CA LEU A 69 12.778 0.063 -12.723 1.00 0.00 C ATOM 1011 C LEU A 69 12.189 -0.943 -11.739 1.00 0.00 C ATOM 1012 O LEU A 69 11.712 -2.007 -12.135 1.00 0.00 O ATOM 1013 CB LEU A 69 14.243 -0.276 -13.001 1.00 0.00 C ATOM 1014 CG LEU A 69 15.162 -0.332 -11.780 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.898 -1.662 -11.728 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.150 0.825 -11.802 1.00 0.00 C ATOM 0 H LEU A 69 13.495 1.762 -11.723 1.00 0.00 H new ATOM 0 HA LEU A 69 12.215 0.005 -13.655 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.282 -1.242 -13.505 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.641 0.463 -13.697 1.00 0.00 H new ATOM 0 HG LEU A 69 14.549 -0.243 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.547 -1.684 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.175 -2.476 -11.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.499 -1.780 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.796 0.769 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.758 0.767 -12.705 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.605 1.769 -11.791 1.00 0.00 H new ATOM 1028 N MET A 70 12.224 -0.599 -10.456 1.00 0.00 N ATOM 1029 CA MET A 70 11.690 -1.472 -9.416 1.00 0.00 C ATOM 1030 C MET A 70 10.424 -0.879 -8.806 1.00 0.00 C ATOM 1031 O MET A 70 9.609 -1.595 -8.225 1.00 0.00 O ATOM 1032 CB MET A 70 12.738 -1.700 -8.325 1.00 0.00 C ATOM 1033 CG MET A 70 14.060 -2.232 -8.854 1.00 0.00 C ATOM 1034 SD MET A 70 14.101 -4.033 -8.938 1.00 0.00 S ATOM 1035 CE MET A 70 13.462 -4.309 -10.588 1.00 0.00 C ATOM 0 H MET A 70 12.616 0.277 -10.111 1.00 0.00 H new ATOM 0 HA MET A 70 11.438 -2.429 -9.873 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.917 -0.760 -7.802 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.341 -2.402 -7.592 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.241 -1.822 -9.848 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.870 -1.884 -8.213 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.542 -4.891 -10.529 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.255 -3.350 -11.063 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.199 -4.854 -11.177 1.00 0.00 H new ATOM 1045 N LYS A 71 10.266 0.433 -8.941 1.00 0.00 N ATOM 1046 CA LYS A 71 9.099 1.123 -8.405 1.00 0.00 C ATOM 1047 C LYS A 71 7.908 0.992 -9.348 1.00 0.00 C ATOM 1048 O LYS A 71 6.757 0.960 -8.910 1.00 0.00 O ATOM 1049 CB LYS A 71 9.418 2.602 -8.171 1.00 0.00 C ATOM 1050 CG LYS A 71 8.292 3.367 -7.498 1.00 0.00 C ATOM 1051 CD LYS A 71 8.763 4.719 -6.989 1.00 0.00 C ATOM 1052 CE LYS A 71 7.614 5.526 -6.403 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.526 5.744 -7.396 1.00 0.00 N ATOM 0 H LYS A 71 10.932 1.041 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 71 8.839 0.659 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.316 2.679 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.644 3.072 -9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.474 3.508 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.899 2.781 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.532 4.575 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.221 5.277 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.213 5.007 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.987 6.489 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.921 6.529 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.941 5.976 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.955 4.879 -7.480 1.00 0.00 H new ATOM 1067 N ASP A 72 8.190 0.915 -10.643 1.00 0.00 N ATOM 1068 CA ASP A 72 7.142 0.784 -11.649 1.00 0.00 C ATOM 1069 C ASP A 72 6.998 -0.667 -12.098 1.00 0.00 C ATOM 1070 O ASP A 72 6.630 -0.940 -13.240 1.00 0.00 O ATOM 1071 CB ASP A 72 7.446 1.676 -12.853 1.00 0.00 C ATOM 1072 CG ASP A 72 6.189 2.198 -13.520 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.443 1.382 -14.101 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.950 3.422 -13.459 1.00 0.00 O ATOM 0 H ASP A 72 9.137 0.941 -11.022 1.00 0.00 H new ATOM 0 HA ASP A 72 6.201 1.102 -11.201 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.060 2.518 -12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.032 1.113 -13.579 1.00 0.00 H new ATOM 1079 N VAL A 73 7.291 -1.594 -11.191 1.00 0.00 N ATOM 1080 CA VAL A 73 7.193 -3.017 -11.494 1.00 0.00 C ATOM 1081 C VAL A 73 6.391 -3.752 -10.427 1.00 0.00 C ATOM 1082 O VAL A 73 5.760 -4.772 -10.703 1.00 0.00 O ATOM 1083 CB VAL A 73 8.587 -3.663 -11.608 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.966 -4.348 -10.304 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.625 -4.646 -12.768 1.00 0.00 C ATOM 0 H VAL A 73 7.598 -1.385 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 73 6.681 -3.102 -12.452 1.00 0.00 H new ATOM 0 HB VAL A 73 9.318 -2.878 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.954 -4.799 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.981 -3.614 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.235 -5.123 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.617 -5.093 -12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.884 -5.429 -12.606 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.401 -4.121 -13.697 1.00 0.00 H new ATOM 1095 N ALA A 74 6.418 -3.227 -9.206 1.00 0.00 N ATOM 1096 CA ALA A 74 5.691 -3.832 -8.097 1.00 0.00 C ATOM 1097 C ALA A 74 4.253 -3.327 -8.044 1.00 0.00 C ATOM 1098 O ALA A 74 3.484 -3.704 -7.159 1.00 0.00 O ATOM 1099 CB ALA A 74 6.401 -3.547 -6.782 1.00 0.00 C ATOM 0 H ALA A 74 6.936 -2.383 -8.960 1.00 0.00 H new ATOM 0 HA ALA A 74 5.665 -4.910 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.847 -4.005 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.408 -3.962 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.457 -2.470 -6.625 1.00 0.00 H new ATOM 1105 N LYS A 75 3.895 -2.472 -8.996 1.00 0.00 N ATOM 1106 CA LYS A 75 2.549 -1.915 -9.058 1.00 0.00 C ATOM 1107 C LYS A 75 1.881 -2.255 -10.387 1.00 0.00 C ATOM 1108 O LYS A 75 0.675 -2.067 -10.552 1.00 0.00 O ATOM 1109 CB LYS A 75 2.594 -0.397 -8.871 1.00 0.00 C ATOM 1110 CG LYS A 75 3.563 0.303 -9.808 1.00 0.00 C ATOM 1111 CD LYS A 75 2.924 0.594 -11.156 1.00 0.00 C ATOM 1112 CE LYS A 75 1.693 1.475 -11.011 1.00 0.00 C ATOM 1113 NZ LYS A 75 0.433 0.691 -11.133 1.00 0.00 N ATOM 0 H LYS A 75 4.519 -2.150 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 75 1.962 -2.357 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.595 0.009 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.873 -0.174 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.899 1.236 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.447 -0.319 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.649 1.085 -11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.647 -0.343 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.717 1.976 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.712 2.254 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.287 1.090 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.091 0.734 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.614 -0.300 -10.873 1.00 0.00 H new ATOM 1127 N VAL A 76 2.671 -2.757 -11.330 1.00 0.00 N ATOM 1128 CA VAL A 76 2.155 -3.125 -12.643 1.00 0.00 C ATOM 1129 C VAL A 76 1.165 -4.280 -12.540 1.00 0.00 C ATOM 1130 O VAL A 76 -0.045 -4.087 -12.664 1.00 0.00 O ATOM 1131 CB VAL A 76 3.293 -3.524 -13.601 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.728 -4.091 -14.895 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.196 -2.332 -13.881 1.00 0.00 C ATOM 0 H VAL A 76 3.671 -2.918 -11.209 1.00 0.00 H new ATOM 0 HA VAL A 76 1.646 -2.247 -13.041 1.00 0.00 H new ATOM 0 HB VAL A 76 3.891 -4.300 -13.123 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.547 -4.367 -15.559 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.127 -4.973 -14.674 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.105 -3.340 -15.380 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.995 -2.632 -14.560 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.612 -1.533 -14.338 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.629 -1.976 -12.946 1.00 0.00 H new ATOM 1143 N PHE A 77 1.686 -5.481 -12.312 1.00 0.00 N ATOM 1144 CA PHE A 77 0.847 -6.668 -12.192 1.00 0.00 C ATOM 1145 C PHE A 77 0.916 -7.243 -10.781 1.00 0.00 C ATOM 1146 O PHE A 77 0.413 -8.335 -10.520 1.00 0.00 O ATOM 1147 CB PHE A 77 1.279 -7.727 -13.208 1.00 0.00 C ATOM 1148 CG PHE A 77 0.146 -8.582 -13.700 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.836 -8.051 -14.521 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.063 -9.918 -13.342 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.879 -8.835 -14.974 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.978 -10.708 -13.792 1.00 0.00 C ATOM 1153 CZ PHE A 77 -1.950 -10.166 -14.610 1.00 0.00 C ATOM 0 H PHE A 77 2.685 -5.658 -12.207 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.183 -6.377 -12.396 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.747 -7.233 -14.059 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.036 -8.367 -12.755 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.785 -7.012 -14.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.821 -10.347 -12.704 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.638 -8.408 -15.612 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.031 -11.748 -13.504 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.764 -10.781 -14.964 1.00 0.00 H new