USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 484 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 LEU N :NH3+ -162:sc= -0.958 (180deg=-1.67!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.35 F(o=-2.6,f=-1.3) USER MOD Single : A 6 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=-0.45) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.076) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 145:sc= -0.108 (180deg=-0.547) USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.762 USER MOD Single : A 26 SER OG : rot 91:sc= 1.25 USER MOD Single : A 27 SER OG : rot -30:sc= 0.368 USER MOD Single : A 28 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.21) USER MOD Single : A 35 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.1) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 39 THR OG1 : rot -64:sc= -0.132 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 10.305 1.092 1.867 1.00 31.25 N ATOM 2 CA LEU A 1 10.059 2.487 1.520 1.00 53.10 C ATOM 3 C LEU A 1 11.302 3.123 0.907 1.00 3.10 C ATOM 4 O LEU A 1 11.755 4.179 1.349 1.00 3.14 O ATOM 5 CB LEU A 1 9.628 3.273 2.759 1.00 11.53 C ATOM 6 CG LEU A 1 8.373 2.768 3.472 1.00 0.21 C ATOM 7 CD1 LEU A 1 8.735 1.716 4.508 1.00 20.44 C ATOM 8 CD2 LEU A 1 7.627 3.924 4.122 1.00 54.32 C ATOM 0 H1 LEU A 1 9.397 0.600 1.990 1.00 31.25 H new ATOM 0 H2 LEU A 1 10.846 0.635 1.105 1.00 31.25 H new ATOM 0 H3 LEU A 1 10.847 1.045 2.753 1.00 31.25 H new ATOM 0 HA LEU A 1 9.257 2.516 0.782 1.00 53.10 H new ATOM 0 HB2 LEU A 1 10.453 3.269 3.472 1.00 11.53 H new ATOM 0 HB3 LEU A 1 9.463 4.310 2.467 1.00 11.53 H new ATOM 0 HG LEU A 1 7.718 2.309 2.732 1.00 0.21 H new ATOM 0 HD11 LEU A 1 7.829 1.368 5.005 1.00 20.44 H new ATOM 0 HD12 LEU A 1 9.225 0.875 4.017 1.00 20.44 H new ATOM 0 HD13 LEU A 1 9.410 2.149 5.246 1.00 20.44 H new ATOM 0 HD21 LEU A 1 6.737 3.546 4.625 1.00 54.32 H new ATOM 0 HD22 LEU A 1 8.275 4.412 4.850 1.00 54.32 H new ATOM 0 HD23 LEU A 1 7.334 4.644 3.358 1.00 54.32 H new ATOM 20 N LYS A 2 11.849 2.475 -0.116 1.00 22.34 N ATOM 21 CA LYS A 2 13.038 2.977 -0.793 1.00 44.41 C ATOM 22 C LYS A 2 12.860 2.937 -2.307 1.00 61.34 C ATOM 23 O LYS A 2 12.460 1.916 -2.866 1.00 43.15 O ATOM 24 CB LYS A 2 14.265 2.156 -0.391 1.00 63.31 C ATOM 25 CG LYS A 2 15.139 2.836 0.648 1.00 3.22 C ATOM 26 CD LYS A 2 16.517 2.199 0.722 1.00 35.34 C ATOM 27 CE LYS A 2 17.602 3.241 0.947 1.00 73.41 C ATOM 28 NZ LYS A 2 18.248 3.090 2.280 1.00 12.11 N ATOM 0 H LYS A 2 11.487 1.600 -0.495 1.00 22.34 H new ATOM 0 HA LYS A 2 13.187 4.013 -0.490 1.00 44.41 H new ATOM 0 HB2 LYS A 2 13.935 1.193 -0.002 1.00 63.31 H new ATOM 0 HB3 LYS A 2 14.863 1.953 -1.280 1.00 63.31 H new ATOM 0 HG2 LYS A 2 15.239 3.894 0.405 1.00 3.22 H new ATOM 0 HG3 LYS A 2 14.657 2.778 1.624 1.00 3.22 H new ATOM 0 HD2 LYS A 2 16.539 1.469 1.531 1.00 35.34 H new ATOM 0 HD3 LYS A 2 16.718 1.656 -0.202 1.00 35.34 H new ATOM 0 HE2 LYS A 2 18.357 3.154 0.166 1.00 73.41 H new ATOM 0 HE3 LYS A 2 17.171 4.238 0.863 1.00 73.41 H new ATOM 0 HZ1 LYS A 2 18.981 3.818 2.395 1.00 12.11 H new ATOM 0 HZ2 LYS A 2 17.532 3.198 3.027 1.00 12.11 H new ATOM 0 HZ3 LYS A 2 18.682 2.148 2.351 1.00 12.11 H new ATOM 42 N GLU A 3 13.161 4.053 -2.965 1.00 34.55 N ATOM 43 CA GLU A 3 13.034 4.142 -4.414 1.00 55.24 C ATOM 44 C GLU A 3 11.608 3.824 -4.856 1.00 51.32 C ATOM 45 O GLU A 3 11.299 2.692 -5.225 1.00 43.13 O ATOM 46 CB GLU A 3 14.015 3.186 -5.095 1.00 23.12 C ATOM 47 CG GLU A 3 15.443 3.319 -4.591 1.00 35.43 C ATOM 48 CD GLU A 3 16.447 2.633 -5.496 1.00 42.02 C ATOM 49 OE1 GLU A 3 16.639 3.108 -6.635 1.00 45.41 O ATOM 50 OE2 GLU A 3 17.041 1.622 -5.067 1.00 35.22 O ATOM 0 H GLU A 3 13.494 4.907 -2.517 1.00 34.55 H new ATOM 0 HA GLU A 3 13.269 5.164 -4.711 1.00 55.24 H new ATOM 0 HB2 GLU A 3 13.678 2.161 -4.940 1.00 23.12 H new ATOM 0 HB3 GLU A 3 13.999 3.367 -6.170 1.00 23.12 H new ATOM 0 HG2 GLU A 3 15.698 4.375 -4.507 1.00 35.43 H new ATOM 0 HG3 GLU A 3 15.512 2.894 -3.590 1.00 35.43 H new ATOM 57 N ASN A 4 10.743 4.833 -4.815 1.00 21.33 N ATOM 58 CA ASN A 4 9.350 4.661 -5.209 1.00 54.25 C ATOM 59 C ASN A 4 8.772 5.966 -5.749 1.00 4.53 C ATOM 60 O ASN A 4 9.491 6.951 -5.920 1.00 3.23 O ATOM 61 CB ASN A 4 8.517 4.175 -4.021 1.00 64.12 C ATOM 62 CG ASN A 4 9.126 2.960 -3.348 1.00 74.31 C ATOM 63 OD1 ASN A 4 9.864 3.189 -2.269 1.00 41.35 O flip ATOM 64 ND2 ASN A 4 8.933 1.828 -3.793 1.00 3.23 N flip ATOM 0 H ASN A 4 10.983 5.777 -4.513 1.00 21.33 H new ATOM 0 HA ASN A 4 9.313 3.912 -6.000 1.00 54.25 H new ATOM 0 HB2 ASN A 4 8.422 4.981 -3.293 1.00 64.12 H new ATOM 0 HB3 ASN A 4 7.510 3.932 -4.361 1.00 64.12 H new ATOM 0 HD21 ASN A 4 8.358 1.698 -4.626 1.00 3.23 H new ATOM 0 HD22 ASN A 4 9.348 1.020 -3.329 1.00 3.23 H new ATOM 71 N ASP A 5 7.471 5.966 -6.014 1.00 12.20 N ATOM 72 CA ASP A 5 6.796 7.151 -6.532 1.00 72.52 C ATOM 73 C ASP A 5 5.755 7.661 -5.540 1.00 62.42 C ATOM 74 O ASP A 5 5.918 8.728 -4.947 1.00 60.43 O ATOM 75 CB ASP A 5 6.130 6.838 -7.873 1.00 42.54 C ATOM 76 CG ASP A 5 7.138 6.659 -8.992 1.00 13.11 C ATOM 77 OD1 ASP A 5 8.350 6.609 -8.696 1.00 62.43 O ATOM 78 OD2 ASP A 5 6.714 6.568 -10.163 1.00 13.22 O ATOM 0 H ASP A 5 6.862 5.159 -5.879 1.00 12.20 H new ATOM 0 HA ASP A 5 7.544 7.930 -6.679 1.00 72.52 H new ATOM 0 HB2 ASP A 5 5.534 5.931 -7.776 1.00 42.54 H new ATOM 0 HB3 ASP A 5 5.444 7.644 -8.132 1.00 42.54 H new ATOM 83 N HIS A 6 4.685 6.892 -5.365 1.00 71.13 N ATOM 84 CA HIS A 6 3.617 7.266 -4.445 1.00 52.43 C ATOM 85 C HIS A 6 4.115 7.260 -3.003 1.00 73.32 C ATOM 86 O HIS A 6 3.580 7.966 -2.149 1.00 21.54 O ATOM 87 CB HIS A 6 2.431 6.313 -4.592 1.00 72.41 C ATOM 88 CG HIS A 6 1.161 6.839 -3.997 1.00 4.31 C ATOM 89 ND1 HIS A 6 0.148 6.022 -3.542 1.00 52.51 N ATOM 90 CD2 HIS A 6 0.745 8.109 -3.781 1.00 73.04 C ATOM 91 CE1 HIS A 6 -0.838 6.767 -3.074 1.00 72.12 C ATOM 92 NE2 HIS A 6 -0.501 8.037 -3.207 1.00 63.15 N ATOM 0 H HIS A 6 4.535 6.006 -5.848 1.00 71.13 H new ATOM 0 HA HIS A 6 3.294 8.277 -4.694 1.00 52.43 H new ATOM 0 HB2 HIS A 6 2.269 6.109 -5.650 1.00 72.41 H new ATOM 0 HB3 HIS A 6 2.678 5.363 -4.118 1.00 72.41 H new ATOM 0 HD2 HIS A 6 1.291 9.011 -4.016 1.00 73.04 H new ATOM 0 HE1 HIS A 6 -1.763 6.400 -2.654 1.00 72.12 H new ATOM 0 HE2 HIS A 6 -1.073 8.835 -2.929 1.00 63.15 H new ATOM 100 N ALA A 7 5.141 6.457 -2.740 1.00 51.23 N ATOM 101 CA ALA A 7 5.711 6.360 -1.402 1.00 63.35 C ATOM 102 C ALA A 7 6.385 7.666 -0.996 1.00 51.14 C ATOM 103 O ALA A 7 6.198 8.151 0.120 1.00 62.03 O ATOM 104 CB ALA A 7 6.704 5.209 -1.334 1.00 72.54 C ATOM 0 H ALA A 7 5.594 5.865 -3.436 1.00 51.23 H new ATOM 0 HA ALA A 7 4.899 6.168 -0.701 1.00 63.35 H new ATOM 0 HB1 ALA A 7 7.122 5.148 -0.329 1.00 72.54 H new ATOM 0 HB2 ALA A 7 6.195 4.275 -1.573 1.00 72.54 H new ATOM 0 HB3 ALA A 7 7.507 5.378 -2.051 1.00 72.54 H new ATOM 110 N ARG A 8 7.169 8.231 -1.909 1.00 22.32 N ATOM 111 CA ARG A 8 7.872 9.480 -1.644 1.00 42.23 C ATOM 112 C ARG A 8 6.914 10.666 -1.702 1.00 53.13 C ATOM 113 O ARG A 8 7.116 11.675 -1.027 1.00 3.24 O ATOM 114 CB ARG A 8 9.005 9.676 -2.654 1.00 12.43 C ATOM 115 CG ARG A 8 8.538 9.676 -4.100 1.00 64.23 C ATOM 116 CD ARG A 8 9.652 10.100 -5.045 1.00 22.41 C ATOM 117 NE ARG A 8 9.207 11.115 -5.995 1.00 41.32 N ATOM 118 CZ ARG A 8 9.078 12.401 -5.689 1.00 51.54 C ATOM 119 NH1 ARG A 8 9.359 12.827 -4.465 1.00 71.34 N ATOM 120 NH2 ARG A 8 8.667 13.265 -6.609 1.00 43.31 N ATOM 0 H ARG A 8 7.333 7.843 -2.838 1.00 22.32 H new ATOM 0 HA ARG A 8 8.294 9.425 -0.641 1.00 42.23 H new ATOM 0 HB2 ARG A 8 9.509 10.619 -2.444 1.00 12.43 H new ATOM 0 HB3 ARG A 8 9.742 8.884 -2.519 1.00 12.43 H new ATOM 0 HG2 ARG A 8 8.189 8.679 -4.371 1.00 64.23 H new ATOM 0 HG3 ARG A 8 7.690 10.351 -4.210 1.00 64.23 H new ATOM 0 HD2 ARG A 8 10.490 10.488 -4.466 1.00 22.41 H new ATOM 0 HD3 ARG A 8 10.017 9.229 -5.589 1.00 22.41 H new ATOM 0 HE ARG A 8 8.983 10.821 -6.946 1.00 41.32 H new ATOM 0 HH11 ARG A 8 9.675 12.166 -3.755 1.00 71.34 H new ATOM 0 HH12 ARG A 8 9.259 13.815 -4.233 1.00 71.34 H new ATOM 0 HH21 ARG A 8 8.450 12.941 -7.552 1.00 43.31 H new ATOM 0 HH22 ARG A 8 8.568 14.252 -6.373 1.00 43.31 H new ATOM 134 N PHE A 9 5.870 10.537 -2.514 1.00 54.22 N ATOM 135 CA PHE A 9 4.880 11.598 -2.662 1.00 4.41 C ATOM 136 C PHE A 9 4.019 11.717 -1.408 1.00 1.51 C ATOM 137 O PHE A 9 3.687 12.820 -0.971 1.00 43.31 O ATOM 138 CB PHE A 9 3.993 11.332 -3.880 1.00 5.10 C ATOM 139 CG PHE A 9 4.500 11.971 -5.141 1.00 52.24 C ATOM 140 CD1 PHE A 9 4.748 13.333 -5.192 1.00 51.42 C ATOM 141 CD2 PHE A 9 4.727 11.210 -6.276 1.00 61.25 C ATOM 142 CE1 PHE A 9 5.214 13.925 -6.351 1.00 62.33 C ATOM 143 CE2 PHE A 9 5.194 11.795 -7.438 1.00 53.41 C ATOM 144 CZ PHE A 9 5.436 13.155 -7.476 1.00 64.40 C ATOM 0 H PHE A 9 5.687 9.708 -3.080 1.00 54.22 H new ATOM 0 HA PHE A 9 5.412 12.538 -2.807 1.00 4.41 H new ATOM 0 HB2 PHE A 9 3.914 10.256 -4.034 1.00 5.10 H new ATOM 0 HB3 PHE A 9 2.988 11.699 -3.675 1.00 5.10 H new ATOM 0 HD1 PHE A 9 4.575 13.940 -4.315 1.00 51.42 H new ATOM 0 HD2 PHE A 9 4.537 10.147 -6.253 1.00 61.25 H new ATOM 0 HE1 PHE A 9 5.404 14.988 -6.377 1.00 62.33 H new ATOM 0 HE2 PHE A 9 5.370 11.190 -8.315 1.00 53.41 H new ATOM 0 HZ PHE A 9 5.798 13.615 -8.384 1.00 64.40 H new ATOM 154 N LEU A 10 3.660 10.575 -0.834 1.00 31.33 N ATOM 155 CA LEU A 10 2.837 10.549 0.370 1.00 15.12 C ATOM 156 C LEU A 10 3.652 10.948 1.596 1.00 31.31 C ATOM 157 O LEU A 10 3.251 11.824 2.361 1.00 13.13 O ATOM 158 CB LEU A 10 2.238 9.156 0.573 1.00 53.12 C ATOM 159 CG LEU A 10 0.789 9.113 1.059 1.00 32.34 C ATOM 160 CD1 LEU A 10 0.066 7.909 0.476 1.00 74.21 C ATOM 161 CD2 LEU A 10 0.738 9.082 2.580 1.00 14.40 C ATOM 0 H LEU A 10 3.926 9.654 -1.183 1.00 31.33 H new ATOM 0 HA LEU A 10 2.029 11.270 0.243 1.00 15.12 H new ATOM 0 HB2 LEU A 10 2.300 8.615 -0.371 1.00 53.12 H new ATOM 0 HB3 LEU A 10 2.857 8.617 1.290 1.00 53.12 H new ATOM 0 HG LEU A 10 0.284 10.016 0.716 1.00 32.34 H new ATOM 0 HD11 LEU A 10 -0.964 7.895 0.833 1.00 74.21 H new ATOM 0 HD12 LEU A 10 0.072 7.973 -0.612 1.00 74.21 H new ATOM 0 HD13 LEU A 10 0.571 6.995 0.789 1.00 74.21 H new ATOM 0 HD21 LEU A 10 -0.301 9.052 2.909 1.00 14.40 H new ATOM 0 HD22 LEU A 10 1.260 8.197 2.944 1.00 14.40 H new ATOM 0 HD23 LEU A 10 1.219 9.976 2.978 1.00 14.40 H new ATOM 173 N GLN A 11 4.799 10.300 1.774 1.00 34.42 N ATOM 174 CA GLN A 11 5.671 10.588 2.906 1.00 12.24 C ATOM 175 C GLN A 11 5.976 12.080 2.992 1.00 41.00 C ATOM 176 O GLN A 11 6.206 12.617 4.076 1.00 21.02 O ATOM 177 CB GLN A 11 6.973 9.795 2.789 1.00 24.11 C ATOM 178 CG GLN A 11 7.825 9.834 4.048 1.00 60.03 C ATOM 179 CD GLN A 11 8.719 8.618 4.185 1.00 21.53 C ATOM 180 OE1 GLN A 11 8.430 7.704 4.959 1.00 54.22 O ATOM 181 NE2 GLN A 11 9.814 8.599 3.433 1.00 35.34 N ATOM 0 H GLN A 11 5.146 9.572 1.149 1.00 34.42 H new ATOM 0 HA GLN A 11 5.153 10.289 3.817 1.00 12.24 H new ATOM 0 HB2 GLN A 11 6.737 8.758 2.552 1.00 24.11 H new ATOM 0 HB3 GLN A 11 7.554 10.188 1.955 1.00 24.11 H new ATOM 0 HG2 GLN A 11 8.441 10.734 4.038 1.00 60.03 H new ATOM 0 HG3 GLN A 11 7.175 9.902 4.920 1.00 60.03 H new ATOM 0 HE21 GLN A 11 10.015 9.377 2.805 1.00 35.34 H new ATOM 0 HE22 GLN A 11 10.454 7.806 3.483 1.00 35.34 H new ATOM 190 N THR A 12 5.977 12.746 1.841 1.00 24.12 N ATOM 191 CA THR A 12 6.256 14.175 1.786 1.00 50.34 C ATOM 192 C THR A 12 5.050 14.989 2.242 1.00 62.30 C ATOM 193 O THR A 12 5.148 15.796 3.166 1.00 74.32 O ATOM 194 CB THR A 12 6.650 14.616 0.363 1.00 14.11 C ATOM 195 OG1 THR A 12 7.859 13.961 -0.036 1.00 11.13 O ATOM 196 CG2 THR A 12 6.838 16.124 0.296 1.00 11.15 C ATOM 0 H THR A 12 5.788 12.318 0.935 1.00 24.12 H new ATOM 0 HA THR A 12 7.092 14.360 2.461 1.00 50.34 H new ATOM 0 HB THR A 12 5.845 14.336 -0.316 1.00 14.11 H new ATOM 0 HG1 THR A 12 7.647 13.229 -0.652 1.00 11.13 H new ATOM 0 HG21 THR A 12 7.116 16.411 -0.718 1.00 11.15 H new ATOM 0 HG22 THR A 12 5.907 16.619 0.571 1.00 11.15 H new ATOM 0 HG23 THR A 12 7.626 16.423 0.987 1.00 11.15 H new ATOM 204 N ALA A 13 3.913 14.770 1.589 1.00 45.32 N ATOM 205 CA ALA A 13 2.688 15.481 1.930 1.00 53.51 C ATOM 206 C ALA A 13 2.409 15.408 3.427 1.00 0.14 C ATOM 207 O ALA A 13 2.062 16.409 4.055 1.00 72.12 O ATOM 208 CB ALA A 13 1.514 14.916 1.144 1.00 13.43 C ATOM 0 H ALA A 13 3.816 14.106 0.821 1.00 45.32 H new ATOM 0 HA ALA A 13 2.819 16.530 1.663 1.00 53.51 H new ATOM 0 HB1 ALA A 13 0.605 15.456 1.409 1.00 13.43 H new ATOM 0 HB2 ALA A 13 1.704 15.026 0.076 1.00 13.43 H new ATOM 0 HB3 ALA A 13 1.391 13.860 1.383 1.00 13.43 H new ATOM 214 N LYS A 14 2.562 14.217 3.995 1.00 25.23 N ATOM 215 CA LYS A 14 2.328 14.012 5.420 1.00 61.33 C ATOM 216 C LYS A 14 3.414 14.686 6.252 1.00 32.14 C ATOM 217 O LYS A 14 3.122 15.370 7.232 1.00 3.31 O ATOM 218 CB LYS A 14 2.280 12.516 5.740 1.00 62.14 C ATOM 219 CG LYS A 14 0.917 11.888 5.509 1.00 74.11 C ATOM 220 CD LYS A 14 -0.079 12.309 6.576 1.00 12.25 C ATOM 221 CE LYS A 14 -1.506 11.971 6.172 1.00 10.52 C ATOM 222 NZ LYS A 14 -2.504 12.625 7.063 1.00 54.10 N ATOM 0 H LYS A 14 2.847 13.378 3.490 1.00 25.23 H new ATOM 0 HA LYS A 14 1.368 14.463 5.674 1.00 61.33 H new ATOM 0 HB2 LYS A 14 3.018 11.998 5.127 1.00 62.14 H new ATOM 0 HB3 LYS A 14 2.568 12.366 6.781 1.00 62.14 H new ATOM 0 HG2 LYS A 14 0.544 12.178 4.527 1.00 74.11 H new ATOM 0 HG3 LYS A 14 1.011 10.802 5.506 1.00 74.11 H new ATOM 0 HD2 LYS A 14 0.161 11.812 7.516 1.00 12.25 H new ATOM 0 HD3 LYS A 14 0.006 13.381 6.752 1.00 12.25 H new ATOM 0 HE2 LYS A 14 -1.676 12.286 5.143 1.00 10.52 H new ATOM 0 HE3 LYS A 14 -1.646 10.890 6.202 1.00 10.52 H new ATOM 0 HZ1 LYS A 14 -3.464 12.370 6.755 1.00 54.10 H new ATOM 0 HZ2 LYS A 14 -2.358 12.305 8.042 1.00 54.10 H new ATOM 0 HZ3 LYS A 14 -2.388 13.657 7.015 1.00 54.10 H new ATOM 236 N ASN A 15 4.667 14.488 5.855 1.00 55.44 N ATOM 237 CA ASN A 15 5.796 15.079 6.564 1.00 32.52 C ATOM 238 C ASN A 15 5.678 16.599 6.605 1.00 42.11 C ATOM 239 O ASN A 15 6.272 17.255 7.462 1.00 74.23 O ATOM 240 CB ASN A 15 7.112 14.675 5.896 1.00 52.30 C ATOM 241 CG ASN A 15 8.311 15.363 6.519 1.00 22.34 C ATOM 242 OD1 ASN A 15 9.153 15.923 5.818 1.00 43.40 O ATOM 243 ND2 ASN A 15 8.394 15.322 7.844 1.00 33.02 N ATOM 0 H ASN A 15 4.926 13.923 5.046 1.00 55.44 H new ATOM 0 HA ASN A 15 5.786 14.705 7.588 1.00 32.52 H new ATOM 0 HB2 ASN A 15 7.237 13.595 5.970 1.00 52.30 H new ATOM 0 HB3 ASN A 15 7.067 14.919 4.835 1.00 52.30 H new ATOM 0 HD21 ASN A 15 9.179 15.766 8.320 1.00 33.02 H new ATOM 0 HD22 ASN A 15 7.672 14.846 8.386 1.00 33.02 H new ATOM 250 N ILE A 16 4.909 17.153 5.674 1.00 74.42 N ATOM 251 CA ILE A 16 4.712 18.595 5.605 1.00 51.25 C ATOM 252 C ILE A 16 3.782 19.077 6.713 1.00 74.04 C ATOM 253 O ILE A 16 4.116 19.992 7.466 1.00 21.21 O ATOM 254 CB ILE A 16 4.132 19.020 4.242 1.00 22.53 C ATOM 255 CG1 ILE A 16 5.157 18.781 3.131 1.00 55.30 C ATOM 256 CG2 ILE A 16 3.711 20.481 4.278 1.00 44.12 C ATOM 257 CD1 ILE A 16 4.532 18.449 1.794 1.00 15.41 C ATOM 0 H ILE A 16 4.412 16.625 4.957 1.00 74.42 H new ATOM 0 HA ILE A 16 5.693 19.053 5.732 1.00 51.25 H new ATOM 0 HB ILE A 16 3.250 18.414 4.033 1.00 22.53 H new ATOM 0 HG12 ILE A 16 5.777 19.671 3.022 1.00 55.30 H new ATOM 0 HG13 ILE A 16 5.818 17.966 3.426 1.00 55.30 H new ATOM 0 HG21 ILE A 16 3.303 20.766 3.308 1.00 44.12 H new ATOM 0 HG22 ILE A 16 2.951 20.622 5.047 1.00 44.12 H new ATOM 0 HG23 ILE A 16 4.576 21.104 4.505 1.00 44.12 H new ATOM 0 HD11 ILE A 16 5.317 18.292 1.054 1.00 15.41 H new ATOM 0 HD12 ILE A 16 3.935 17.542 1.887 1.00 15.41 H new ATOM 0 HD13 ILE A 16 3.893 19.273 1.476 1.00 15.41 H new ATOM 269 N THR A 17 2.611 18.454 6.808 1.00 61.30 N ATOM 270 CA THR A 17 1.632 18.818 7.824 1.00 20.33 C ATOM 271 C THR A 17 2.012 18.244 9.185 1.00 44.45 C ATOM 272 O THR A 17 1.564 18.733 10.221 1.00 43.30 O ATOM 273 CB THR A 17 0.222 18.325 7.448 1.00 20.41 C ATOM 274 OG1 THR A 17 0.107 18.209 6.025 1.00 12.24 O ATOM 275 CG2 THR A 17 -0.842 19.277 7.973 1.00 71.24 C ATOM 0 H THR A 17 2.318 17.695 6.193 1.00 61.30 H new ATOM 0 HA THR A 17 1.626 19.907 7.880 1.00 20.33 H new ATOM 0 HB THR A 17 0.069 17.347 7.905 1.00 20.41 H new ATOM 0 HG1 THR A 17 -0.792 17.893 5.794 1.00 12.24 H new ATOM 0 HG21 THR A 17 -1.829 18.908 7.695 1.00 71.24 H new ATOM 0 HG22 THR A 17 -0.770 19.340 9.059 1.00 71.24 H new ATOM 0 HG23 THR A 17 -0.690 20.266 7.542 1.00 71.24 H new ATOM 283 N GLU A 18 2.842 17.206 9.173 1.00 71.31 N ATOM 284 CA GLU A 18 3.282 16.566 10.407 1.00 12.45 C ATOM 285 C GLU A 18 4.383 17.382 11.080 1.00 73.31 C ATOM 286 O GLU A 18 4.423 17.499 12.305 1.00 54.23 O ATOM 287 CB GLU A 18 3.783 15.149 10.123 1.00 30.14 C ATOM 288 CG GLU A 18 2.667 14.139 9.914 1.00 11.30 C ATOM 289 CD GLU A 18 2.431 13.269 11.133 1.00 1.12 C ATOM 290 OE1 GLU A 18 3.424 12.858 11.769 1.00 45.00 O ATOM 291 OE2 GLU A 18 1.254 12.999 11.451 1.00 23.14 O ATOM 0 H GLU A 18 3.223 16.791 8.323 1.00 71.31 H new ATOM 0 HA GLU A 18 2.428 16.512 11.083 1.00 12.45 H new ATOM 0 HB2 GLU A 18 4.416 15.167 9.236 1.00 30.14 H new ATOM 0 HB3 GLU A 18 4.408 14.820 10.953 1.00 30.14 H new ATOM 0 HG2 GLU A 18 1.746 14.667 9.665 1.00 11.30 H new ATOM 0 HG3 GLU A 18 2.911 13.505 9.062 1.00 11.30 H new ATOM 298 N ARG A 19 5.275 17.942 10.270 1.00 53.14 N ATOM 299 CA ARG A 19 6.377 18.745 10.785 1.00 22.42 C ATOM 300 C ARG A 19 5.868 20.063 11.361 1.00 74.34 C ATOM 301 O ARG A 19 6.246 20.458 12.463 1.00 14.44 O ATOM 302 CB ARG A 19 7.397 19.019 9.679 1.00 43.23 C ATOM 303 CG ARG A 19 8.723 19.556 10.192 1.00 24.33 C ATOM 304 CD ARG A 19 9.138 20.817 9.452 1.00 43.33 C ATOM 305 NE ARG A 19 10.453 21.293 9.874 1.00 30.23 N ATOM 306 CZ ARG A 19 10.984 22.441 9.469 1.00 24.23 C ATOM 307 NH1 ARG A 19 10.317 23.227 8.636 1.00 34.12 N ATOM 308 NH2 ARG A 19 12.186 22.805 9.898 1.00 21.12 N ATOM 0 H ARG A 19 5.256 17.854 9.254 1.00 53.14 H new ATOM 0 HA ARG A 19 6.860 18.183 11.584 1.00 22.42 H new ATOM 0 HB2 ARG A 19 7.578 18.097 9.127 1.00 43.23 H new ATOM 0 HB3 ARG A 19 6.973 19.735 8.975 1.00 43.23 H new ATOM 0 HG2 ARG A 19 8.643 19.769 11.258 1.00 24.33 H new ATOM 0 HG3 ARG A 19 9.494 18.795 10.076 1.00 24.33 H new ATOM 0 HD2 ARG A 19 9.151 20.620 8.380 1.00 43.33 H new ATOM 0 HD3 ARG A 19 8.398 21.598 9.624 1.00 43.33 H new ATOM 0 HE ARG A 19 10.993 20.712 10.515 1.00 30.23 H new ATOM 0 HH11 ARG A 19 9.393 22.951 8.304 1.00 34.12 H new ATOM 0 HH12 ARG A 19 10.728 24.108 8.327 1.00 34.12 H new ATOM 0 HH21 ARG A 19 12.703 22.203 10.539 1.00 21.12 H new ATOM 0 HH22 ARG A 19 12.593 23.687 9.587 1.00 21.12 H new ATOM 322 N VAL A 20 5.007 20.739 10.606 1.00 64.14 N ATOM 323 CA VAL A 20 4.445 22.012 11.040 1.00 3.02 C ATOM 324 C VAL A 20 3.795 21.885 12.413 1.00 54.50 C ATOM 325 O VAL A 20 3.994 22.730 13.286 1.00 12.10 O ATOM 326 CB VAL A 20 3.402 22.537 10.036 1.00 31.10 C ATOM 327 CG1 VAL A 20 2.345 21.478 9.762 1.00 53.20 C ATOM 328 CG2 VAL A 20 2.764 23.818 10.552 1.00 42.13 C ATOM 0 H VAL A 20 4.684 20.426 9.691 1.00 64.14 H new ATOM 0 HA VAL A 20 5.271 22.721 11.096 1.00 3.02 H new ATOM 0 HB VAL A 20 3.908 22.763 9.097 1.00 31.10 H new ATOM 0 HG11 VAL A 20 1.616 21.867 9.050 1.00 53.20 H new ATOM 0 HG12 VAL A 20 2.820 20.589 9.346 1.00 53.20 H new ATOM 0 HG13 VAL A 20 1.840 21.218 10.693 1.00 53.20 H new ATOM 0 HG21 VAL A 20 2.030 24.175 9.830 1.00 42.13 H new ATOM 0 HG22 VAL A 20 2.271 23.621 11.504 1.00 42.13 H new ATOM 0 HG23 VAL A 20 3.534 24.577 10.692 1.00 42.13 H new ATOM 338 N SER A 21 3.016 20.824 12.597 1.00 12.21 N ATOM 339 CA SER A 21 2.332 20.588 13.863 1.00 3.14 C ATOM 340 C SER A 21 3.335 20.308 14.978 1.00 5.13 C ATOM 341 O SER A 21 3.144 20.726 16.120 1.00 73.02 O ATOM 342 CB SER A 21 1.359 19.415 13.731 1.00 63.10 C ATOM 343 OG SER A 21 0.066 19.771 14.188 1.00 20.11 O ATOM 0 H SER A 21 2.843 20.114 11.885 1.00 12.21 H new ATOM 0 HA SER A 21 1.772 21.488 14.118 1.00 3.14 H new ATOM 0 HB2 SER A 21 1.306 19.098 12.689 1.00 63.10 H new ATOM 0 HB3 SER A 21 1.729 18.565 14.304 1.00 63.10 H new ATOM 0 HG SER A 21 -0.537 19.005 14.091 1.00 20.11 H new ATOM 349 N MET A 22 4.406 19.598 14.638 1.00 71.22 N ATOM 350 CA MET A 22 5.441 19.262 15.609 1.00 14.42 C ATOM 351 C MET A 22 6.019 20.523 16.245 1.00 71.24 C ATOM 352 O MET A 22 6.247 20.571 17.453 1.00 53.51 O ATOM 353 CB MET A 22 6.556 18.457 14.941 1.00 71.55 C ATOM 354 CG MET A 22 7.307 17.546 15.899 1.00 14.41 C ATOM 355 SD MET A 22 8.471 16.458 15.056 1.00 41.43 S ATOM 356 CE MET A 22 9.520 17.656 14.235 1.00 53.13 C ATOM 0 H MET A 22 4.580 19.244 13.697 1.00 71.22 H new ATOM 0 HA MET A 22 4.986 18.656 16.393 1.00 14.42 H new ATOM 0 HB2 MET A 22 6.128 17.854 14.140 1.00 71.55 H new ATOM 0 HB3 MET A 22 7.263 19.146 14.478 1.00 71.55 H new ATOM 0 HG2 MET A 22 7.846 18.154 16.626 1.00 14.41 H new ATOM 0 HG3 MET A 22 6.591 16.943 16.457 1.00 14.41 H new ATOM 0 HE1 MET A 22 10.545 17.287 14.213 1.00 53.13 H new ATOM 0 HE2 MET A 22 9.168 17.810 13.215 1.00 53.13 H new ATOM 0 HE3 MET A 22 9.486 18.601 14.777 1.00 53.13 H new ATOM 366 N ALA A 23 6.254 21.540 15.422 1.00 1.14 N ATOM 367 CA ALA A 23 6.804 22.801 15.905 1.00 61.22 C ATOM 368 C ALA A 23 5.796 23.542 16.776 1.00 55.34 C ATOM 369 O ALA A 23 6.088 23.899 17.917 1.00 23.15 O ATOM 370 CB ALA A 23 7.234 23.672 14.734 1.00 60.34 C ATOM 0 H ALA A 23 6.072 21.515 14.419 1.00 1.14 H new ATOM 0 HA ALA A 23 7.678 22.577 16.517 1.00 61.22 H new ATOM 0 HB1 ALA A 23 7.643 24.610 15.109 1.00 60.34 H new ATOM 0 HB2 ALA A 23 7.995 23.151 14.153 1.00 60.34 H new ATOM 0 HB3 ALA A 23 6.372 23.880 14.099 1.00 60.34 H new ATOM 376 N THR A 24 4.606 23.773 16.229 1.00 35.14 N ATOM 377 CA THR A 24 3.554 24.474 16.956 1.00 61.34 C ATOM 378 C THR A 24 3.276 23.808 18.298 1.00 34.04 C ATOM 379 O THR A 24 3.169 24.479 19.324 1.00 3.13 O ATOM 380 CB THR A 24 2.248 24.527 16.141 1.00 71.51 C ATOM 381 OG1 THR A 24 2.338 23.649 15.013 1.00 44.42 O ATOM 382 CG2 THR A 24 1.963 25.944 15.666 1.00 30.55 C ATOM 0 H THR A 24 4.347 23.485 15.285 1.00 35.14 H new ATOM 0 HA THR A 24 3.909 25.490 17.125 1.00 61.34 H new ATOM 0 HB THR A 24 1.430 24.206 16.786 1.00 71.51 H new ATOM 0 HG1 THR A 24 2.390 24.178 14.190 1.00 44.42 H new ATOM 0 HG21 THR A 24 1.036 25.956 15.093 1.00 30.55 H new ATOM 0 HG22 THR A 24 1.865 26.604 16.528 1.00 30.55 H new ATOM 0 HG23 THR A 24 2.783 26.289 15.036 1.00 30.55 H new ATOM 390 N ALA A 25 3.159 22.484 18.284 1.00 2.24 N ATOM 391 CA ALA A 25 2.896 21.728 19.502 1.00 32.41 C ATOM 392 C ALA A 25 4.067 21.826 20.474 1.00 61.35 C ATOM 393 O ALA A 25 3.910 21.605 21.674 1.00 1.24 O ATOM 394 CB ALA A 25 2.606 20.272 19.167 1.00 62.02 C ATOM 0 H ALA A 25 3.242 21.913 17.443 1.00 2.24 H new ATOM 0 HA ALA A 25 2.020 22.160 19.986 1.00 32.41 H new ATOM 0 HB1 ALA A 25 2.411 19.719 20.086 1.00 62.02 H new ATOM 0 HB2 ALA A 25 1.733 20.215 18.517 1.00 62.02 H new ATOM 0 HB3 ALA A 25 3.466 19.838 18.657 1.00 62.02 H new ATOM 400 N SER A 26 5.241 22.157 19.946 1.00 2.21 N ATOM 401 CA SER A 26 6.440 22.280 20.767 1.00 45.05 C ATOM 402 C SER A 26 6.698 23.737 21.138 1.00 15.23 C ATOM 403 O SER A 26 7.589 24.039 21.931 1.00 3.03 O ATOM 404 CB SER A 26 7.651 21.710 20.026 1.00 64.43 C ATOM 405 OG SER A 26 7.507 20.317 19.810 1.00 64.53 O ATOM 0 H SER A 26 5.388 22.345 18.954 1.00 2.21 H new ATOM 0 HA SER A 26 6.282 21.712 21.684 1.00 45.05 H new ATOM 0 HB2 SER A 26 7.769 22.219 19.070 1.00 64.43 H new ATOM 0 HB3 SER A 26 8.557 21.900 20.602 1.00 64.43 H new ATOM 0 HG SER A 26 7.074 20.163 18.944 1.00 64.53 H new ATOM 411 N SER A 27 5.909 24.637 20.559 1.00 1.00 N ATOM 412 CA SER A 27 6.053 26.063 20.825 1.00 13.55 C ATOM 413 C SER A 27 4.863 26.590 21.622 1.00 33.21 C ATOM 414 O SER A 27 4.830 27.757 22.010 1.00 4.13 O ATOM 415 CB SER A 27 6.185 26.838 19.513 1.00 40.21 C ATOM 416 OG SER A 27 6.501 28.198 19.753 1.00 3.53 O ATOM 0 H SER A 27 5.164 24.403 19.903 1.00 1.00 H new ATOM 0 HA SER A 27 6.957 26.207 21.416 1.00 13.55 H new ATOM 0 HB2 SER A 27 6.961 26.385 18.896 1.00 40.21 H new ATOM 0 HB3 SER A 27 5.252 26.772 18.953 1.00 40.21 H new ATOM 0 HG SER A 27 6.120 28.476 20.612 1.00 3.53 H new ATOM 422 N GLN A 28 3.887 25.719 21.861 1.00 41.40 N ATOM 423 CA GLN A 28 2.694 26.096 22.610 1.00 4.14 C ATOM 424 C GLN A 28 1.891 27.153 21.860 1.00 71.13 C ATOM 425 O GLN A 28 1.646 28.244 22.375 1.00 63.21 O ATOM 426 CB GLN A 28 3.081 26.620 23.995 1.00 54.13 C ATOM 427 CG GLN A 28 1.986 26.452 25.036 1.00 20.00 C ATOM 428 CD GLN A 28 2.430 25.615 26.220 1.00 41.24 C ATOM 429 OE1 GLN A 28 3.105 24.598 26.057 1.00 3.32 O ATOM 430 NE2 GLN A 28 2.053 26.040 27.420 1.00 74.41 N ATOM 0 H GLN A 28 3.899 24.749 21.547 1.00 41.40 H new ATOM 0 HA GLN A 28 2.072 25.208 22.725 1.00 4.14 H new ATOM 0 HB2 GLN A 28 3.977 26.099 24.334 1.00 54.13 H new ATOM 0 HB3 GLN A 28 3.337 27.677 23.916 1.00 54.13 H new ATOM 0 HG2 GLN A 28 1.671 27.434 25.388 1.00 20.00 H new ATOM 0 HG3 GLN A 28 1.117 25.986 24.572 1.00 20.00 H new ATOM 0 HE21 GLN A 28 1.494 26.889 27.508 1.00 74.41 H new ATOM 0 HE22 GLN A 28 2.323 25.518 28.254 1.00 74.41 H new ATOM 439 N VAL A 29 1.483 26.822 20.639 1.00 50.15 N ATOM 440 CA VAL A 29 0.706 27.742 19.817 1.00 42.44 C ATOM 441 C VAL A 29 -0.573 27.083 19.313 1.00 41.43 C ATOM 442 O VAL A 29 -0.980 27.287 18.168 1.00 62.30 O ATOM 443 CB VAL A 29 1.522 28.243 18.610 1.00 25.01 C ATOM 444 CG1 VAL A 29 0.871 29.474 17.998 1.00 23.04 C ATOM 445 CG2 VAL A 29 2.957 28.538 19.023 1.00 35.11 C ATOM 0 H VAL A 29 1.678 25.923 20.197 1.00 50.15 H new ATOM 0 HA VAL A 29 0.449 28.591 20.450 1.00 42.44 H new ATOM 0 HB VAL A 29 1.539 27.458 17.854 1.00 25.01 H new ATOM 0 HG11 VAL A 29 1.462 29.813 17.147 1.00 23.04 H new ATOM 0 HG12 VAL A 29 -0.136 29.225 17.664 1.00 23.04 H new ATOM 0 HG13 VAL A 29 0.820 30.267 18.744 1.00 23.04 H new ATOM 0 HG21 VAL A 29 3.519 28.891 18.158 1.00 35.11 H new ATOM 0 HG22 VAL A 29 2.962 29.305 19.797 1.00 35.11 H new ATOM 0 HG23 VAL A 29 3.418 27.629 19.410 1.00 35.11 H new ATOM 455 N LEU A 30 -1.204 26.293 20.174 1.00 3.44 N ATOM 456 CA LEU A 30 -2.439 25.604 19.817 1.00 23.34 C ATOM 457 C LEU A 30 -3.515 25.833 20.874 1.00 70.34 C ATOM 458 O LEU A 30 -4.296 24.932 21.184 1.00 44.23 O ATOM 459 CB LEU A 30 -2.180 24.105 19.653 1.00 1.11 C ATOM 460 CG LEU A 30 -1.216 23.709 18.534 1.00 53.12 C ATOM 461 CD1 LEU A 30 0.222 23.756 19.026 1.00 51.40 C ATOM 462 CD2 LEU A 30 -1.555 22.324 18.004 1.00 72.53 C ATOM 0 H LEU A 30 -0.881 26.113 21.125 1.00 3.44 H new ATOM 0 HA LEU A 30 -2.793 26.011 18.870 1.00 23.34 H new ATOM 0 HB2 LEU A 30 -1.790 23.719 20.595 1.00 1.11 H new ATOM 0 HB3 LEU A 30 -3.134 23.609 19.476 1.00 1.11 H new ATOM 0 HG LEU A 30 -1.323 24.425 17.719 1.00 53.12 H new ATOM 0 HD11 LEU A 30 0.893 23.471 18.216 1.00 51.40 H new ATOM 0 HD12 LEU A 30 0.461 24.767 19.356 1.00 51.40 H new ATOM 0 HD13 LEU A 30 0.344 23.064 19.859 1.00 51.40 H new ATOM 0 HD21 LEU A 30 -0.859 22.058 17.208 1.00 72.53 H new ATOM 0 HD22 LEU A 30 -1.477 21.596 18.812 1.00 72.53 H new ATOM 0 HD23 LEU A 30 -2.572 22.323 17.612 1.00 72.53 H new ATOM 474 N ILE A 31 -3.552 27.043 21.421 1.00 42.03 N ATOM 475 CA ILE A 31 -4.535 27.391 22.439 1.00 23.23 C ATOM 476 C ILE A 31 -5.000 28.835 22.284 1.00 60.30 C ATOM 477 O ILE A 31 -4.278 29.695 21.778 1.00 35.42 O ATOM 478 CB ILE A 31 -3.968 27.196 23.858 1.00 32.31 C ATOM 479 CG1 ILE A 31 -2.759 28.107 24.078 1.00 62.22 C ATOM 480 CG2 ILE A 31 -3.589 25.739 24.081 1.00 4.42 C ATOM 481 CD1 ILE A 31 -3.119 29.465 24.639 1.00 72.43 C ATOM 0 H ILE A 31 -2.912 27.799 21.176 1.00 42.03 H new ATOM 0 HA ILE A 31 -5.384 26.722 22.300 1.00 23.23 H new ATOM 0 HB ILE A 31 -4.738 27.466 24.581 1.00 32.31 H new ATOM 0 HG12 ILE A 31 -2.063 27.615 24.757 1.00 62.22 H new ATOM 0 HG13 ILE A 31 -2.238 28.241 23.130 1.00 62.22 H new ATOM 0 HG21 ILE A 31 -3.190 25.617 25.088 1.00 4.42 H new ATOM 0 HG22 ILE A 31 -4.472 25.111 23.962 1.00 4.42 H new ATOM 0 HG23 ILE A 31 -2.833 25.444 23.353 1.00 4.42 H new ATOM 0 HD11 ILE A 31 -2.213 30.057 24.769 1.00 72.43 H new ATOM 0 HD12 ILE A 31 -3.791 29.977 23.950 1.00 72.43 H new ATOM 0 HD13 ILE A 31 -3.613 29.341 25.603 1.00 72.43 H new ATOM 493 N PRO A 32 -6.234 29.110 22.731 1.00 75.25 N ATOM 494 CA PRO A 32 -6.823 30.450 22.654 1.00 35.03 C ATOM 495 C PRO A 32 -6.153 31.433 23.608 1.00 33.23 C ATOM 496 O PRO A 32 -5.552 31.032 24.604 1.00 4.10 O ATOM 497 CB PRO A 32 -8.281 30.220 23.060 1.00 14.34 C ATOM 498 CG PRO A 32 -8.251 28.992 23.903 1.00 1.55 C ATOM 499 CD PRO A 32 -7.150 28.134 23.345 1.00 72.32 C ATOM 0 HA PRO A 32 -6.706 30.891 21.664 1.00 35.03 H new ATOM 0 HB2 PRO A 32 -8.676 31.071 23.614 1.00 14.34 H new ATOM 0 HB3 PRO A 32 -8.919 30.085 22.186 1.00 14.34 H new ATOM 0 HG2 PRO A 32 -8.061 29.240 24.947 1.00 1.55 H new ATOM 0 HG3 PRO A 32 -9.208 28.471 23.868 1.00 1.55 H new ATOM 0 HD2 PRO A 32 -6.656 27.556 24.126 1.00 72.32 H new ATOM 0 HD3 PRO A 32 -7.528 27.422 22.612 1.00 72.32 H new ATOM 507 N GLU A 33 -6.262 32.721 23.297 1.00 74.40 N ATOM 508 CA GLU A 33 -5.666 33.760 24.128 1.00 62.12 C ATOM 509 C GLU A 33 -6.053 35.148 23.625 1.00 64.43 C ATOM 510 O GLU A 33 -6.229 36.078 24.412 1.00 65.10 O ATOM 511 CB GLU A 33 -4.142 33.618 24.145 1.00 14.13 C ATOM 512 CG GLU A 33 -3.464 34.183 22.908 1.00 33.32 C ATOM 513 CD GLU A 33 -2.032 33.706 22.759 1.00 15.30 C ATOM 514 OE1 GLU A 33 -1.627 33.395 21.619 1.00 33.14 O ATOM 515 OE2 GLU A 33 -1.318 33.644 23.781 1.00 44.41 O ATOM 0 H GLU A 33 -6.757 33.069 22.476 1.00 74.40 H new ATOM 0 HA GLU A 33 -6.046 33.641 25.143 1.00 62.12 H new ATOM 0 HB2 GLU A 33 -3.748 34.123 25.027 1.00 14.13 H new ATOM 0 HB3 GLU A 33 -3.885 32.563 24.240 1.00 14.13 H new ATOM 0 HG2 GLU A 33 -4.033 33.896 22.023 1.00 33.32 H new ATOM 0 HG3 GLU A 33 -3.477 35.272 22.956 1.00 33.32 H new ATOM 522 N ILE A 34 -6.183 35.278 22.309 1.00 44.32 N ATOM 523 CA ILE A 34 -6.549 36.551 21.701 1.00 42.34 C ATOM 524 C ILE A 34 -6.827 36.388 20.210 1.00 14.52 C ATOM 525 O ILE A 34 -7.722 37.030 19.662 1.00 12.50 O ATOM 526 CB ILE A 34 -5.443 37.606 21.892 1.00 22.24 C ATOM 527 CG1 ILE A 34 -5.867 38.940 21.274 1.00 23.50 C ATOM 528 CG2 ILE A 34 -4.138 37.122 21.278 1.00 4.14 C ATOM 529 CD1 ILE A 34 -5.394 40.145 22.056 1.00 51.34 C ATOM 0 H ILE A 34 -6.040 34.518 21.644 1.00 44.32 H new ATOM 0 HA ILE A 34 -7.455 36.891 22.203 1.00 42.34 H new ATOM 0 HB ILE A 34 -5.286 37.756 22.960 1.00 22.24 H new ATOM 0 HG12 ILE A 34 -5.477 39.001 20.258 1.00 23.50 H new ATOM 0 HG13 ILE A 34 -6.954 38.968 21.201 1.00 23.50 H new ATOM 0 HG21 ILE A 34 -3.366 37.878 21.421 1.00 4.14 H new ATOM 0 HG22 ILE A 34 -3.831 36.194 21.761 1.00 4.14 H new ATOM 0 HG23 ILE A 34 -4.281 36.946 20.212 1.00 4.14 H new ATOM 0 HD11 ILE A 34 -5.731 41.056 21.560 1.00 51.34 H new ATOM 0 HD12 ILE A 34 -5.805 40.108 23.065 1.00 51.34 H new ATOM 0 HD13 ILE A 34 -4.305 40.141 22.107 1.00 51.34 H new ATOM 541 N ASN A 35 -6.055 35.524 19.560 1.00 32.55 N ATOM 542 CA ASN A 35 -6.220 35.275 18.133 1.00 64.31 C ATOM 543 C ASN A 35 -5.226 34.224 17.646 1.00 53.01 C ATOM 544 O ASN A 35 -4.743 34.288 16.515 1.00 62.22 O ATOM 545 CB ASN A 35 -6.035 36.572 17.343 1.00 2.13 C ATOM 546 CG ASN A 35 -7.046 36.716 16.222 1.00 21.32 C ATOM 547 OD1 ASN A 35 -8.252 36.774 16.463 1.00 61.23 O ATOM 548 ND2 ASN A 35 -6.557 36.773 14.989 1.00 53.42 N ATOM 0 H ASN A 35 -5.309 34.984 19.999 1.00 32.55 H new ATOM 0 HA ASN A 35 -7.230 34.899 17.969 1.00 64.31 H new ATOM 0 HB2 ASN A 35 -6.123 37.422 18.020 1.00 2.13 H new ATOM 0 HB3 ASN A 35 -5.028 36.600 16.926 1.00 2.13 H new ATOM 0 HD21 ASN A 35 -7.189 36.869 14.194 1.00 53.42 H new ATOM 0 HD22 ASN A 35 -5.550 36.721 14.837 1.00 53.42 H new ATOM 555 N LEU A 36 -4.927 33.258 18.507 1.00 64.44 N ATOM 556 CA LEU A 36 -3.991 32.192 18.165 1.00 72.42 C ATOM 557 C LEU A 36 -4.603 31.237 17.144 1.00 44.43 C ATOM 558 O LEU A 36 -3.922 30.767 16.234 1.00 45.34 O ATOM 559 CB LEU A 36 -3.585 31.420 19.422 1.00 72.04 C ATOM 560 CG LEU A 36 -2.654 30.227 19.205 1.00 23.11 C ATOM 561 CD1 LEU A 36 -1.720 30.056 20.393 1.00 3.42 C ATOM 562 CD2 LEU A 36 -3.459 28.957 18.971 1.00 40.10 C ATOM 0 H LEU A 36 -5.318 33.190 19.446 1.00 64.44 H new ATOM 0 HA LEU A 36 -3.105 32.648 17.724 1.00 72.42 H new ATOM 0 HB2 LEU A 36 -3.100 32.113 20.109 1.00 72.04 H new ATOM 0 HB3 LEU A 36 -4.490 31.064 19.914 1.00 72.04 H new ATOM 0 HG LEU A 36 -2.050 30.419 18.318 1.00 23.11 H new ATOM 0 HD11 LEU A 36 -1.065 29.202 20.221 1.00 3.42 H new ATOM 0 HD12 LEU A 36 -1.118 30.956 20.515 1.00 3.42 H new ATOM 0 HD13 LEU A 36 -2.307 29.887 21.296 1.00 3.42 H new ATOM 0 HD21 LEU A 36 -2.780 28.118 18.818 1.00 40.10 H new ATOM 0 HD22 LEU A 36 -4.089 28.760 19.839 1.00 40.10 H new ATOM 0 HD23 LEU A 36 -4.086 29.081 18.088 1.00 40.10 H new ATOM 574 N ASN A 37 -5.892 30.958 17.301 1.00 33.31 N ATOM 575 CA ASN A 37 -6.596 30.061 16.392 1.00 74.23 C ATOM 576 C ASN A 37 -6.501 30.560 14.953 1.00 10.02 C ATOM 577 O ASN A 37 -6.158 29.804 14.044 1.00 31.32 O ATOM 578 CB ASN A 37 -8.065 29.933 16.803 1.00 44.41 C ATOM 579 CG ASN A 37 -8.676 28.618 16.361 1.00 35.15 C ATOM 580 OD1 ASN A 37 -8.598 28.246 15.191 1.00 60.14 O ATOM 581 ND2 ASN A 37 -9.291 27.907 17.300 1.00 64.21 N ATOM 0 H ASN A 37 -6.471 31.340 18.049 1.00 33.31 H new ATOM 0 HA ASN A 37 -6.123 29.081 16.450 1.00 74.23 H new ATOM 0 HB2 ASN A 37 -8.145 30.022 17.886 1.00 44.41 H new ATOM 0 HB3 ASN A 37 -8.633 30.758 16.372 1.00 44.41 H new ATOM 0 HD21 ASN A 37 -9.723 27.014 17.063 1.00 64.21 H new ATOM 0 HD22 ASN A 37 -9.331 28.254 18.258 1.00 64.21 H new ATOM 588 N ASP A 38 -6.806 31.838 14.755 1.00 70.42 N ATOM 589 CA ASP A 38 -6.753 32.439 13.427 1.00 13.24 C ATOM 590 C ASP A 38 -5.363 32.290 12.818 1.00 4.32 C ATOM 591 O ASP A 38 -5.212 32.212 11.598 1.00 2.44 O ATOM 592 CB ASP A 38 -7.137 33.918 13.499 1.00 42.03 C ATOM 593 CG ASP A 38 -8.638 34.128 13.484 1.00 51.21 C ATOM 594 OD1 ASP A 38 -9.319 33.487 12.656 1.00 12.01 O ATOM 595 OD2 ASP A 38 -9.132 34.933 14.301 1.00 52.14 O ATOM 0 H ASP A 38 -7.092 32.477 15.496 1.00 70.42 H new ATOM 0 HA ASP A 38 -7.466 31.917 12.789 1.00 13.24 H new ATOM 0 HB2 ASP A 38 -6.721 34.354 14.407 1.00 42.03 H new ATOM 0 HB3 ASP A 38 -6.691 34.448 12.657 1.00 42.03 H new ATOM 600 N THR A 39 -4.347 32.252 13.676 1.00 53.53 N ATOM 601 CA THR A 39 -2.969 32.115 13.223 1.00 41.54 C ATOM 602 C THR A 39 -2.637 30.662 12.904 1.00 41.34 C ATOM 603 O THR A 39 -2.137 30.352 11.822 1.00 10.20 O ATOM 604 CB THR A 39 -1.976 32.637 14.278 1.00 0.33 C ATOM 605 OG1 THR A 39 -2.684 33.070 15.445 1.00 12.11 O ATOM 606 CG2 THR A 39 -1.151 33.789 13.723 1.00 34.21 C ATOM 0 H THR A 39 -4.454 32.314 14.688 1.00 53.53 H new ATOM 0 HA THR A 39 -2.873 32.714 12.317 1.00 41.54 H new ATOM 0 HB THR A 39 -1.301 31.823 14.543 1.00 0.33 H new ATOM 0 HG1 THR A 39 -3.254 33.834 15.217 1.00 12.11 H new ATOM 0 HG21 THR A 39 -0.457 34.141 14.487 1.00 34.21 H new ATOM 0 HG22 THR A 39 -0.590 33.449 12.852 1.00 34.21 H new ATOM 0 HG23 THR A 39 -1.814 34.604 13.432 1.00 34.21 H new ATOM 614 N PHE A 40 -2.918 29.774 13.851 1.00 12.23 N ATOM 615 CA PHE A 40 -2.649 28.352 13.671 1.00 41.41 C ATOM 616 C PHE A 40 -3.401 27.806 12.461 1.00 21.40 C ATOM 617 O PHE A 40 -2.847 27.052 11.661 1.00 44.03 O ATOM 618 CB PHE A 40 -3.045 27.573 14.927 1.00 52.23 C ATOM 619 CG PHE A 40 -2.524 26.165 14.948 1.00 65.11 C ATOM 620 CD1 PHE A 40 -1.217 25.890 14.578 1.00 40.34 C ATOM 621 CD2 PHE A 40 -3.340 25.115 15.338 1.00 51.53 C ATOM 622 CE1 PHE A 40 -0.734 24.595 14.596 1.00 4.53 C ATOM 623 CE2 PHE A 40 -2.862 23.819 15.359 1.00 72.22 C ATOM 624 CZ PHE A 40 -1.558 23.558 14.986 1.00 2.35 C ATOM 0 H PHE A 40 -3.332 30.014 14.752 1.00 12.23 H new ATOM 0 HA PHE A 40 -1.580 28.229 13.498 1.00 41.41 H new ATOM 0 HB2 PHE A 40 -2.674 28.102 15.805 1.00 52.23 H new ATOM 0 HB3 PHE A 40 -4.132 27.551 15.003 1.00 52.23 H new ATOM 0 HD1 PHE A 40 -0.568 26.697 14.272 1.00 40.34 H new ATOM 0 HD2 PHE A 40 -4.361 25.312 15.629 1.00 51.53 H new ATOM 0 HE1 PHE A 40 0.287 24.395 14.305 1.00 4.53 H new ATOM 0 HE2 PHE A 40 -3.508 23.010 15.667 1.00 72.22 H new ATOM 0 HZ PHE A 40 -1.184 22.545 14.999 1.00 2.35 H new ATOM 634 N ASP A 41 -4.666 28.190 12.335 1.00 12.33 N ATOM 635 CA ASP A 41 -5.495 27.740 11.223 1.00 34.24 C ATOM 636 C ASP A 41 -4.867 28.122 9.887 1.00 1.10 C ATOM 637 O ASP A 41 -4.548 27.259 9.068 1.00 31.04 O ATOM 638 CB ASP A 41 -6.899 28.338 11.331 1.00 42.21 C ATOM 639 CG ASP A 41 -7.969 27.402 10.805 1.00 32.02 C ATOM 640 OD1 ASP A 41 -8.857 27.872 10.064 1.00 54.43 O ATOM 641 OD2 ASP A 41 -7.918 26.199 11.135 1.00 72.33 O ATOM 0 H ASP A 41 -5.140 28.812 12.989 1.00 12.33 H new ATOM 0 HA ASP A 41 -5.567 26.653 11.272 1.00 34.24 H new ATOM 0 HB2 ASP A 41 -7.110 28.577 12.373 1.00 42.21 H new ATOM 0 HB3 ASP A 41 -6.935 29.275 10.776 1.00 42.21 H new ATOM 646 N THR A 42 -4.692 29.422 9.671 1.00 2.24 N ATOM 647 CA THR A 42 -4.104 29.919 8.434 1.00 41.40 C ATOM 648 C THR A 42 -2.716 29.330 8.209 1.00 73.22 C ATOM 649 O THR A 42 -2.224 29.288 7.081 1.00 32.30 O ATOM 650 CB THR A 42 -4.002 31.456 8.438 1.00 3.34 C ATOM 651 OG1 THR A 42 -4.196 31.964 7.114 1.00 44.04 O ATOM 652 CG2 THR A 42 -2.648 31.907 8.967 1.00 52.24 C ATOM 0 H THR A 42 -4.949 30.150 10.338 1.00 2.24 H new ATOM 0 HA THR A 42 -4.764 29.608 7.624 1.00 41.40 H new ATOM 0 HB THR A 42 -4.780 31.848 9.094 1.00 3.34 H new ATOM 0 HG1 THR A 42 -4.131 32.942 7.126 1.00 44.04 H new ATOM 0 HG21 THR A 42 -2.599 32.996 8.960 1.00 52.24 H new ATOM 0 HG22 THR A 42 -2.516 31.544 9.986 1.00 52.24 H new ATOM 0 HG23 THR A 42 -1.857 31.505 8.334 1.00 52.24 H new ATOM 660 N PHE A 43 -2.090 28.875 9.289 1.00 64.54 N ATOM 661 CA PHE A 43 -0.757 28.287 9.209 1.00 73.05 C ATOM 662 C PHE A 43 -0.817 26.882 8.616 1.00 33.03 C ATOM 663 O PHE A 43 -0.110 26.570 7.659 1.00 22.31 O ATOM 664 CB PHE A 43 -0.113 28.241 10.596 1.00 61.05 C ATOM 665 CG PHE A 43 1.350 27.902 10.566 1.00 71.51 C ATOM 666 CD1 PHE A 43 1.907 27.094 11.544 1.00 3.12 C ATOM 667 CD2 PHE A 43 2.168 28.390 9.560 1.00 52.41 C ATOM 668 CE1 PHE A 43 3.253 26.780 11.520 1.00 60.53 C ATOM 669 CE2 PHE A 43 3.514 28.079 9.530 1.00 71.11 C ATOM 670 CZ PHE A 43 4.058 27.273 10.512 1.00 55.54 C ATOM 0 H PHE A 43 -2.484 28.902 10.230 1.00 64.54 H new ATOM 0 HA PHE A 43 -0.150 28.912 8.555 1.00 73.05 H new ATOM 0 HB2 PHE A 43 -0.244 29.208 11.081 1.00 61.05 H new ATOM 0 HB3 PHE A 43 -0.636 27.505 11.207 1.00 61.05 H new ATOM 0 HD1 PHE A 43 1.282 26.705 12.334 1.00 3.12 H new ATOM 0 HD2 PHE A 43 1.749 29.021 8.790 1.00 52.41 H new ATOM 0 HE1 PHE A 43 3.675 26.150 12.289 1.00 60.53 H new ATOM 0 HE2 PHE A 43 4.140 28.466 8.740 1.00 71.11 H new ATOM 0 HZ PHE A 43 5.110 27.029 10.491 1.00 55.54 H new ATOM 680 N ALA A 44 -1.667 26.039 9.194 1.00 62.32 N ATOM 681 CA ALA A 44 -1.821 24.668 8.723 1.00 22.23 C ATOM 682 C ALA A 44 -2.480 24.630 7.349 1.00 71.12 C ATOM 683 O ALA A 44 -2.015 23.935 6.445 1.00 71.53 O ATOM 684 CB ALA A 44 -2.631 23.855 9.722 1.00 32.10 C ATOM 0 H ALA A 44 -2.259 26.281 9.989 1.00 62.32 H new ATOM 0 HA ALA A 44 -0.828 24.227 8.633 1.00 22.23 H new ATOM 0 HB1 ALA A 44 -2.738 22.833 9.358 1.00 32.10 H new ATOM 0 HB2 ALA A 44 -2.118 23.845 10.684 1.00 32.10 H new ATOM 0 HB3 ALA A 44 -3.617 24.303 9.841 1.00 32.10 H new ATOM 690 N LEU A 45 -3.566 25.381 7.198 1.00 64.43 N ATOM 691 CA LEU A 45 -4.290 25.432 5.932 1.00 0.55 C ATOM 692 C LEU A 45 -3.331 25.631 4.763 1.00 4.35 C ATOM 693 O LEU A 45 -3.270 24.808 3.850 1.00 21.13 O ATOM 694 CB LEU A 45 -5.321 26.562 5.959 1.00 52.04 C ATOM 695 CG LEU A 45 -5.654 27.199 4.609 1.00 64.34 C ATOM 696 CD1 LEU A 45 -6.112 26.140 3.618 1.00 55.22 C ATOM 697 CD2 LEU A 45 -6.717 28.274 4.774 1.00 54.23 C ATOM 0 H LEU A 45 -3.964 25.962 7.936 1.00 64.43 H new ATOM 0 HA LEU A 45 -4.804 24.481 5.797 1.00 0.55 H new ATOM 0 HB2 LEU A 45 -6.243 26.175 6.393 1.00 52.04 H new ATOM 0 HB3 LEU A 45 -4.957 27.343 6.627 1.00 52.04 H new ATOM 0 HG LEU A 45 -4.751 27.667 4.217 1.00 64.34 H new ATOM 0 HD11 LEU A 45 -6.345 26.612 2.663 1.00 55.22 H new ATOM 0 HD12 LEU A 45 -5.318 25.406 3.477 1.00 55.22 H new ATOM 0 HD13 LEU A 45 -7.002 25.642 4.003 1.00 55.22 H new ATOM 0 HD21 LEU A 45 -6.941 28.716 3.803 1.00 54.23 H new ATOM 0 HD22 LEU A 45 -7.622 27.830 5.188 1.00 54.23 H new ATOM 0 HD23 LEU A 45 -6.351 29.047 5.449 1.00 54.23 H new ATOM 709 N ASP A 46 -2.581 26.728 4.800 1.00 74.22 N ATOM 710 CA ASP A 46 -1.622 27.033 3.745 1.00 1.41 C ATOM 711 C ASP A 46 -0.738 25.826 3.448 1.00 2.22 C ATOM 712 O ASP A 46 -0.545 25.455 2.290 1.00 23.44 O ATOM 713 CB ASP A 46 -0.756 28.229 4.145 1.00 51.23 C ATOM 714 CG ASP A 46 -0.565 29.212 3.006 1.00 12.13 C ATOM 715 OD1 ASP A 46 -0.585 28.776 1.836 1.00 54.10 O ATOM 716 OD2 ASP A 46 -0.397 30.417 3.286 1.00 44.34 O ATOM 0 H ASP A 46 -2.619 27.420 5.549 1.00 74.22 H new ATOM 0 HA ASP A 46 -2.179 27.283 2.842 1.00 1.41 H new ATOM 0 HB2 ASP A 46 -1.217 28.741 4.990 1.00 51.23 H new ATOM 0 HB3 ASP A 46 0.218 27.873 4.481 1.00 51.23 H new ATOM 721 N PHE A 47 -0.202 25.218 4.502 1.00 51.25 N ATOM 722 CA PHE A 47 0.664 24.054 4.354 1.00 54.02 C ATOM 723 C PHE A 47 -0.050 22.939 3.595 1.00 64.21 C ATOM 724 O PHE A 47 0.463 22.423 2.602 1.00 70.04 O ATOM 725 CB PHE A 47 1.111 23.547 5.727 1.00 53.15 C ATOM 726 CG PHE A 47 2.540 23.877 6.051 1.00 14.11 C ATOM 727 CD1 PHE A 47 3.559 23.538 5.176 1.00 31.21 C ATOM 728 CD2 PHE A 47 2.863 24.526 7.232 1.00 45.23 C ATOM 729 CE1 PHE A 47 4.875 23.840 5.472 1.00 52.44 C ATOM 730 CE2 PHE A 47 4.177 24.832 7.532 1.00 24.33 C ATOM 731 CZ PHE A 47 5.184 24.487 6.652 1.00 44.31 C ATOM 0 H PHE A 47 -0.352 25.512 5.467 1.00 51.25 H new ATOM 0 HA PHE A 47 1.542 24.355 3.782 1.00 54.02 H new ATOM 0 HB2 PHE A 47 0.465 23.977 6.492 1.00 53.15 H new ATOM 0 HB3 PHE A 47 0.978 22.466 5.767 1.00 53.15 H new ATOM 0 HD1 PHE A 47 3.322 23.032 4.252 1.00 31.21 H new ATOM 0 HD2 PHE A 47 2.080 24.795 7.925 1.00 45.23 H new ATOM 0 HE1 PHE A 47 5.660 23.570 4.781 1.00 52.44 H new ATOM 0 HE2 PHE A 47 4.416 25.341 8.454 1.00 24.33 H new ATOM 0 HZ PHE A 47 6.212 24.723 6.886 1.00 44.31 H new ATOM 741 N SER A 48 -1.235 22.572 4.071 1.00 71.53 N ATOM 742 CA SER A 48 -2.018 21.515 3.441 1.00 64.44 C ATOM 743 C SER A 48 -2.181 21.777 1.947 1.00 72.04 C ATOM 744 O SER A 48 -2.039 20.870 1.127 1.00 65.23 O ATOM 745 CB SER A 48 -3.392 21.404 4.104 1.00 23.20 C ATOM 746 OG SER A 48 -3.863 20.068 4.080 1.00 34.21 O ATOM 0 H SER A 48 -1.674 22.991 4.891 1.00 71.53 H new ATOM 0 HA SER A 48 -1.483 20.574 3.571 1.00 64.44 H new ATOM 0 HB2 SER A 48 -3.331 21.753 5.135 1.00 23.20 H new ATOM 0 HB3 SER A 48 -4.101 22.052 3.589 1.00 23.20 H new ATOM 0 HG SER A 48 -4.742 20.023 4.511 1.00 34.21 H new ATOM 752 N ARG A 49 -2.482 23.024 1.601 1.00 43.52 N ATOM 753 CA ARG A 49 -2.666 23.407 0.206 1.00 14.32 C ATOM 754 C ARG A 49 -1.526 22.877 -0.659 1.00 13.55 C ATOM 755 O ARG A 49 -1.753 22.363 -1.753 1.00 42.22 O ATOM 756 CB ARG A 49 -2.751 24.930 0.080 1.00 75.50 C ATOM 757 CG ARG A 49 -3.561 25.397 -1.119 1.00 25.02 C ATOM 758 CD ARG A 49 -2.672 25.644 -2.328 1.00 53.22 C ATOM 759 NE ARG A 49 -3.122 26.791 -3.112 1.00 41.51 N ATOM 760 CZ ARG A 49 -4.211 26.780 -3.873 1.00 3.52 C ATOM 761 NH1 ARG A 49 -4.958 25.688 -3.951 1.00 65.25 N ATOM 762 NH2 ARG A 49 -4.555 27.864 -4.557 1.00 2.44 N ATOM 0 H ARG A 49 -2.604 23.787 2.267 1.00 43.52 H new ATOM 0 HA ARG A 49 -3.600 22.967 -0.145 1.00 14.32 H new ATOM 0 HB2 ARG A 49 -3.195 25.337 0.989 1.00 75.50 H new ATOM 0 HB3 ARG A 49 -1.742 25.337 0.008 1.00 75.50 H new ATOM 0 HG2 ARG A 49 -4.313 24.648 -1.366 1.00 25.02 H new ATOM 0 HG3 ARG A 49 -4.095 26.313 -0.865 1.00 25.02 H new ATOM 0 HD2 ARG A 49 -1.647 25.811 -1.996 1.00 53.22 H new ATOM 0 HD3 ARG A 49 -2.662 24.755 -2.959 1.00 53.22 H new ATOM 0 HE ARG A 49 -2.570 27.648 -3.073 1.00 41.51 H new ATOM 0 HH11 ARG A 49 -4.697 24.853 -3.426 1.00 65.25 H new ATOM 0 HH12 ARG A 49 -5.794 25.682 -4.536 1.00 65.25 H new ATOM 0 HH21 ARG A 49 -3.983 28.707 -4.499 1.00 2.44 H new ATOM 0 HH22 ARG A 49 -5.391 27.855 -5.141 1.00 2.44 H new ATOM 776 N GLU A 50 -0.301 23.008 -0.159 1.00 33.33 N ATOM 777 CA GLU A 50 0.874 22.543 -0.887 1.00 15.11 C ATOM 778 C GLU A 50 1.053 21.036 -0.725 1.00 51.34 C ATOM 779 O GLU A 50 1.706 20.386 -1.542 1.00 30.02 O ATOM 780 CB GLU A 50 2.126 23.272 -0.397 1.00 2.43 C ATOM 781 CG GLU A 50 3.244 23.321 -1.425 1.00 32.31 C ATOM 782 CD GLU A 50 4.466 24.065 -0.923 1.00 62.14 C ATOM 783 OE1 GLU A 50 4.326 24.859 0.030 1.00 25.04 O ATOM 784 OE2 GLU A 50 5.562 23.854 -1.484 1.00 74.23 O ATOM 0 H GLU A 50 -0.097 23.432 0.746 1.00 33.33 H new ATOM 0 HA GLU A 50 0.725 22.762 -1.944 1.00 15.11 H new ATOM 0 HB2 GLU A 50 1.857 24.290 -0.117 1.00 2.43 H new ATOM 0 HB3 GLU A 50 2.493 22.780 0.504 1.00 2.43 H new ATOM 0 HG2 GLU A 50 3.528 22.304 -1.696 1.00 32.31 H new ATOM 0 HG3 GLU A 50 2.878 23.802 -2.332 1.00 32.31 H new ATOM 791 N LYS A 51 0.469 20.487 0.334 1.00 10.22 N ATOM 792 CA LYS A 51 0.562 19.057 0.605 1.00 43.43 C ATOM 793 C LYS A 51 -0.381 18.270 -0.299 1.00 42.03 C ATOM 794 O LYS A 51 -0.139 17.100 -0.598 1.00 41.31 O ATOM 795 CB LYS A 51 0.235 18.773 2.072 1.00 22.33 C ATOM 796 CG LYS A 51 -1.192 18.305 2.298 1.00 53.43 C ATOM 797 CD LYS A 51 -1.309 16.795 2.185 1.00 22.51 C ATOM 798 CE LYS A 51 -2.647 16.381 1.592 1.00 50.41 C ATOM 799 NZ LYS A 51 -2.682 14.930 1.260 1.00 14.03 N ATOM 0 H LYS A 51 -0.075 21.011 1.020 1.00 10.22 H new ATOM 0 HA LYS A 51 1.584 18.739 0.399 1.00 43.43 H new ATOM 0 HB2 LYS A 51 0.921 18.014 2.448 1.00 22.33 H new ATOM 0 HB3 LYS A 51 0.409 19.677 2.656 1.00 22.33 H new ATOM 0 HG2 LYS A 51 -1.528 18.624 3.285 1.00 53.43 H new ATOM 0 HG3 LYS A 51 -1.850 18.777 1.569 1.00 53.43 H new ATOM 0 HD2 LYS A 51 -0.500 16.412 1.563 1.00 22.51 H new ATOM 0 HD3 LYS A 51 -1.192 16.345 3.171 1.00 22.51 H new ATOM 0 HE2 LYS A 51 -3.444 16.611 2.299 1.00 50.41 H new ATOM 0 HE3 LYS A 51 -2.841 16.964 0.692 1.00 50.41 H new ATOM 0 HZ1 LYS A 51 -3.610 14.688 0.859 1.00 14.03 H new ATOM 0 HZ2 LYS A 51 -1.938 14.715 0.566 1.00 14.03 H new ATOM 0 HZ3 LYS A 51 -2.522 14.372 2.123 1.00 14.03 H new ATOM 813 N LYS A 52 -1.456 18.919 -0.733 1.00 70.14 N ATOM 814 CA LYS A 52 -2.435 18.281 -1.606 1.00 3.11 C ATOM 815 C LYS A 52 -1.942 18.255 -3.049 1.00 65.41 C ATOM 816 O LYS A 52 -2.004 17.222 -3.718 1.00 51.55 O ATOM 817 CB LYS A 52 -3.775 19.016 -1.527 1.00 45.41 C ATOM 818 CG LYS A 52 -4.781 18.560 -2.569 1.00 40.22 C ATOM 819 CD LYS A 52 -5.158 17.101 -2.378 1.00 75.24 C ATOM 820 CE LYS A 52 -6.325 16.706 -3.271 1.00 34.35 C ATOM 821 NZ LYS A 52 -7.207 15.699 -2.617 1.00 61.12 N ATOM 0 H LYS A 52 -1.672 19.887 -0.494 1.00 70.14 H new ATOM 0 HA LYS A 52 -2.571 17.254 -1.268 1.00 3.11 H new ATOM 0 HB2 LYS A 52 -4.201 18.871 -0.534 1.00 45.41 H new ATOM 0 HB3 LYS A 52 -3.601 20.085 -1.646 1.00 45.41 H new ATOM 0 HG2 LYS A 52 -5.676 19.179 -2.508 1.00 40.22 H new ATOM 0 HG3 LYS A 52 -4.363 18.701 -3.566 1.00 40.22 H new ATOM 0 HD2 LYS A 52 -4.298 16.470 -2.601 1.00 75.24 H new ATOM 0 HD3 LYS A 52 -5.421 16.925 -1.335 1.00 75.24 H new ATOM 0 HE2 LYS A 52 -6.908 17.593 -3.520 1.00 34.35 H new ATOM 0 HE3 LYS A 52 -5.944 16.301 -4.209 1.00 34.35 H new ATOM 0 HZ1 LYS A 52 -7.990 15.456 -3.257 1.00 61.12 H new ATOM 0 HZ2 LYS A 52 -6.657 14.843 -2.402 1.00 61.12 H new ATOM 0 HZ3 LYS A 52 -7.591 16.094 -1.735 1.00 61.12 H new ATOM 835 N LEU A 53 -1.450 19.394 -3.522 1.00 51.44 N ATOM 836 CA LEU A 53 -0.944 19.501 -4.886 1.00 51.55 C ATOM 837 C LEU A 53 0.332 18.684 -5.060 1.00 32.22 C ATOM 838 O LEU A 53 0.708 18.329 -6.178 1.00 12.21 O ATOM 839 CB LEU A 53 -0.677 20.966 -5.239 1.00 21.22 C ATOM 840 CG LEU A 53 -0.140 21.230 -6.646 1.00 10.51 C ATOM 841 CD1 LEU A 53 -0.751 22.499 -7.220 1.00 42.24 C ATOM 842 CD2 LEU A 53 1.378 21.328 -6.628 1.00 4.22 C ATOM 0 H LEU A 53 -1.390 20.257 -2.981 1.00 51.44 H new ATOM 0 HA LEU A 53 -1.703 19.103 -5.560 1.00 51.55 H new ATOM 0 HB2 LEU A 53 -1.605 21.524 -5.115 1.00 21.22 H new ATOM 0 HB3 LEU A 53 0.035 21.369 -4.519 1.00 21.22 H new ATOM 0 HG LEU A 53 -0.422 20.393 -7.285 1.00 10.51 H new ATOM 0 HD11 LEU A 53 -0.358 22.671 -8.222 1.00 42.24 H new ATOM 0 HD12 LEU A 53 -1.835 22.391 -7.269 1.00 42.24 H new ATOM 0 HD13 LEU A 53 -0.499 23.345 -6.581 1.00 42.24 H new ATOM 0 HD21 LEU A 53 1.742 21.516 -7.638 1.00 4.22 H new ATOM 0 HD22 LEU A 53 1.682 22.146 -5.974 1.00 4.22 H new ATOM 0 HD23 LEU A 53 1.799 20.393 -6.259 1.00 4.22 H new ATOM 854 N LEU A 54 0.993 18.386 -3.947 1.00 30.12 N ATOM 855 CA LEU A 54 2.226 17.607 -3.975 1.00 4.34 C ATOM 856 C LEU A 54 1.928 16.112 -3.931 1.00 54.21 C ATOM 857 O LEU A 54 2.722 15.297 -4.399 1.00 2.42 O ATOM 858 CB LEU A 54 3.124 17.994 -2.798 1.00 14.23 C ATOM 859 CG LEU A 54 4.414 17.188 -2.644 1.00 41.53 C ATOM 860 CD1 LEU A 54 4.131 15.849 -1.982 1.00 65.11 C ATOM 861 CD2 LEU A 54 5.081 16.987 -3.997 1.00 72.42 C ATOM 0 H LEU A 54 0.696 18.672 -3.014 1.00 30.12 H new ATOM 0 HA LEU A 54 2.744 17.828 -4.908 1.00 4.34 H new ATOM 0 HB2 LEU A 54 3.387 19.047 -2.899 1.00 14.23 H new ATOM 0 HB3 LEU A 54 2.546 17.896 -1.879 1.00 14.23 H new ATOM 0 HG LEU A 54 5.096 17.748 -2.005 1.00 41.53 H new ATOM 0 HD11 LEU A 54 5.061 15.289 -1.881 1.00 65.11 H new ATOM 0 HD12 LEU A 54 3.698 16.015 -0.995 1.00 65.11 H new ATOM 0 HD13 LEU A 54 3.431 15.281 -2.594 1.00 65.11 H new ATOM 0 HD21 LEU A 54 5.998 16.411 -3.869 1.00 72.42 H new ATOM 0 HD22 LEU A 54 4.404 16.448 -4.660 1.00 72.42 H new ATOM 0 HD23 LEU A 54 5.320 17.957 -4.433 1.00 72.42 H new ATOM 873 N GLU A 55 0.776 15.760 -3.368 1.00 51.11 N ATOM 874 CA GLU A 55 0.372 14.363 -3.265 1.00 63.34 C ATOM 875 C GLU A 55 0.124 13.765 -4.647 1.00 52.24 C ATOM 876 O GLU A 55 0.707 12.741 -5.007 1.00 14.44 O ATOM 877 CB GLU A 55 -0.889 14.235 -2.408 1.00 64.41 C ATOM 878 CG GLU A 55 -1.527 12.857 -2.467 1.00 11.03 C ATOM 879 CD GLU A 55 -2.839 12.854 -3.227 1.00 62.25 C ATOM 880 OE1 GLU A 55 -3.093 11.880 -3.967 1.00 23.33 O ATOM 881 OE2 GLU A 55 -3.611 13.825 -3.084 1.00 62.32 O ATOM 0 H GLU A 55 0.107 16.423 -2.977 1.00 51.11 H new ATOM 0 HA GLU A 55 1.183 13.811 -2.789 1.00 63.34 H new ATOM 0 HB2 GLU A 55 -0.640 14.467 -1.373 1.00 64.41 H new ATOM 0 HB3 GLU A 55 -1.617 14.978 -2.734 1.00 64.41 H new ATOM 0 HG2 GLU A 55 -0.835 12.160 -2.941 1.00 11.03 H new ATOM 0 HG3 GLU A 55 -1.698 12.496 -1.453 1.00 11.03 H new ATOM 888 N CYS A 56 -0.745 14.411 -5.417 1.00 40.20 N ATOM 889 CA CYS A 56 -1.073 13.944 -6.759 1.00 65.33 C ATOM 890 C CYS A 56 -1.015 15.090 -7.763 1.00 53.44 C ATOM 891 O CYS A 56 -0.087 15.180 -8.568 1.00 22.22 O ATOM 892 CB CYS A 56 -2.462 13.305 -6.775 1.00 12.24 C ATOM 893 SG CYS A 56 -3.026 12.804 -8.418 1.00 14.32 S ATOM 0 H CYS A 56 -1.235 15.260 -5.135 1.00 40.20 H new ATOM 0 HA CYS A 56 -0.334 13.196 -7.047 1.00 65.33 H new ATOM 0 HB2 CYS A 56 -2.456 12.432 -6.123 1.00 12.24 H new ATOM 0 HB3 CYS A 56 -3.179 14.011 -6.356 1.00 12.24 H new ATOM 0 HG CYS A 56 -4.209 12.273 -8.327 1.00 14.32 H new ATOM 899 N LEU A 57 -2.014 15.965 -7.712 1.00 72.45 N ATOM 900 CA LEU A 57 -2.079 17.106 -8.619 1.00 31.11 C ATOM 901 C LEU A 57 -3.050 18.161 -8.098 1.00 21.43 C ATOM 902 O LEU A 57 -2.640 19.246 -7.686 1.00 14.13 O ATOM 903 CB LEU A 57 -2.505 16.650 -10.015 1.00 73.43 C ATOM 904 CG LEU A 57 -1.412 16.651 -11.085 1.00 14.53 C ATOM 905 CD1 LEU A 57 -1.639 15.525 -12.081 1.00 42.34 C ATOM 906 CD2 LEU A 57 -1.366 17.995 -11.797 1.00 43.31 C ATOM 0 H LEU A 57 -2.790 15.906 -7.052 1.00 72.45 H new ATOM 0 HA LEU A 57 -1.085 17.550 -8.676 1.00 31.11 H new ATOM 0 HB2 LEU A 57 -2.909 15.641 -9.938 1.00 73.43 H new ATOM 0 HB3 LEU A 57 -3.317 17.293 -10.353 1.00 73.43 H new ATOM 0 HG LEU A 57 -0.451 16.487 -10.597 1.00 14.53 H new ATOM 0 HD11 LEU A 57 -0.852 15.542 -12.835 1.00 42.34 H new ATOM 0 HD12 LEU A 57 -1.621 14.568 -11.559 1.00 42.34 H new ATOM 0 HD13 LEU A 57 -2.607 15.657 -12.565 1.00 42.34 H new ATOM 0 HD21 LEU A 57 -0.583 17.979 -12.555 1.00 43.31 H new ATOM 0 HD22 LEU A 57 -2.328 18.188 -12.273 1.00 43.31 H new ATOM 0 HD23 LEU A 57 -1.154 18.783 -11.074 1.00 43.31 H new ATOM 918 N ASP A 58 -4.337 17.833 -8.117 1.00 52.21 N ATOM 919 CA ASP A 58 -5.367 18.751 -7.643 1.00 62.04 C ATOM 920 C ASP A 58 -5.251 20.104 -8.339 1.00 25.32 C ATOM 921 O ASP A 58 -4.595 21.017 -7.837 1.00 11.05 O ATOM 922 CB ASP A 58 -5.261 18.932 -6.128 1.00 71.33 C ATOM 923 CG ASP A 58 -6.498 19.576 -5.534 1.00 51.45 C ATOM 924 OD1 ASP A 58 -6.359 20.334 -4.551 1.00 41.14 O ATOM 925 OD2 ASP A 58 -7.605 19.324 -6.053 1.00 74.14 O ATOM 0 H ASP A 58 -4.692 16.939 -8.455 1.00 52.21 H new ATOM 0 HA ASP A 58 -6.340 18.322 -7.882 1.00 62.04 H new ATOM 0 HB2 ASP A 58 -5.100 17.961 -5.659 1.00 71.33 H new ATOM 0 HB3 ASP A 58 -4.390 19.545 -5.898 1.00 71.33 H new ATOM 930 N TYR A 59 -5.890 20.224 -9.497 1.00 44.40 N ATOM 931 CA TYR A 59 -5.855 21.464 -10.263 1.00 51.44 C ATOM 932 C TYR A 59 -6.266 22.652 -9.398 1.00 22.43 C ATOM 933 O TYR A 59 -5.576 23.671 -9.353 1.00 23.13 O ATOM 934 CB TYR A 59 -6.777 21.363 -11.480 1.00 31.44 C ATOM 935 CG TYR A 59 -6.452 22.357 -12.571 1.00 2.30 C ATOM 936 CD1 TYR A 59 -7.383 23.308 -12.971 1.00 43.21 C ATOM 937 CD2 TYR A 59 -5.214 22.346 -13.203 1.00 34.34 C ATOM 938 CE1 TYR A 59 -7.090 24.219 -13.968 1.00 73.53 C ATOM 939 CE2 TYR A 59 -4.913 23.253 -14.200 1.00 1.14 C ATOM 940 CZ TYR A 59 -5.854 24.187 -14.579 1.00 50.30 C ATOM 941 OH TYR A 59 -5.558 25.092 -15.573 1.00 30.02 O ATOM 0 H TYR A 59 -6.438 19.478 -9.926 1.00 44.40 H new ATOM 0 HA TYR A 59 -4.831 21.622 -10.602 1.00 51.44 H new ATOM 0 HB2 TYR A 59 -6.715 20.355 -11.889 1.00 31.44 H new ATOM 0 HB3 TYR A 59 -7.807 21.514 -11.158 1.00 31.44 H new ATOM 0 HD1 TYR A 59 -8.352 23.336 -12.495 1.00 43.21 H new ATOM 0 HD2 TYR A 59 -4.475 21.616 -12.909 1.00 34.34 H new ATOM 0 HE1 TYR A 59 -7.825 24.952 -14.267 1.00 73.53 H new ATOM 0 HE2 TYR A 59 -3.946 23.231 -14.680 1.00 1.14 H new ATOM 0 HH TYR A 59 -4.647 24.935 -15.898 1.00 30.02 H new ATOM 951 N LEU A 60 -7.394 22.512 -8.711 1.00 32.23 N ATOM 952 CA LEU A 60 -7.899 23.572 -7.844 1.00 63.44 C ATOM 953 C LEU A 60 -9.015 23.053 -6.943 1.00 43.01 C ATOM 954 O LEU A 60 -9.534 21.956 -7.149 1.00 44.10 O ATOM 955 CB LEU A 60 -8.409 24.744 -8.684 1.00 1.00 C ATOM 956 CG LEU A 60 -8.242 26.134 -8.068 1.00 33.52 C ATOM 957 CD1 LEU A 60 -8.868 26.182 -6.683 1.00 30.35 C ATOM 958 CD2 LEU A 60 -6.771 26.516 -8.004 1.00 24.52 C ATOM 0 H LEU A 60 -7.977 21.675 -8.737 1.00 32.23 H new ATOM 0 HA LEU A 60 -7.078 23.915 -7.214 1.00 63.44 H new ATOM 0 HB2 LEU A 60 -7.892 24.729 -9.644 1.00 1.00 H new ATOM 0 HB3 LEU A 60 -9.467 24.584 -8.889 1.00 1.00 H new ATOM 0 HG LEU A 60 -8.756 26.856 -8.702 1.00 33.52 H new ATOM 0 HD11 LEU A 60 -8.740 27.178 -6.260 1.00 30.35 H new ATOM 0 HD12 LEU A 60 -9.931 25.953 -6.756 1.00 30.35 H new ATOM 0 HD13 LEU A 60 -8.382 25.449 -6.039 1.00 30.35 H new ATOM 0 HD21 LEU A 60 -6.672 27.508 -7.563 1.00 24.52 H new ATOM 0 HD22 LEU A 60 -6.233 25.791 -7.393 1.00 24.52 H new ATOM 0 HD23 LEU A 60 -6.353 26.523 -9.011 1.00 24.52 H new TER 970 LEU A 60