USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 35 ASN : amide:sc=-0.00571 X(o=-0.027,f=-0.022) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.0216 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 18 SER OG : rot 180:sc= -0.207 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0656 (180deg=-0.36) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0317 (180deg=-0.272) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2 K(o=-2,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.0228 (180deg=-0.908) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.635 K(o=-0.64,f=-0.11) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -49:sc= 0.441 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -8.44! C(o=-8.4!,f=-11!) USER MOD Single : A 58 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.816 -9.286 -5.440 1.00 0.00 N ATOM 2 CA MET A 1 -0.631 -9.039 -5.714 1.00 0.00 C ATOM 3 C MET A 1 -1.352 -8.558 -4.468 1.00 0.00 C ATOM 4 O MET A 1 -2.307 -7.784 -4.541 1.00 0.00 O ATOM 5 CB MET A 1 -1.266 -10.337 -6.223 1.00 0.00 C ATOM 6 CG MET A 1 -1.264 -10.467 -7.737 1.00 0.00 C ATOM 7 SD MET A 1 -0.192 -11.795 -8.322 1.00 0.00 S ATOM 8 CE MET A 1 -1.024 -13.228 -7.640 1.00 0.00 C ATOM 0 H1 MET A 1 1.331 -9.364 -6.340 1.00 0.00 H new ATOM 0 H2 MET A 1 1.204 -8.496 -4.886 1.00 0.00 H new ATOM 0 H3 MET A 1 0.922 -10.170 -4.903 1.00 0.00 H new ATOM 0 HA MET A 1 -0.720 -8.258 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.732 -11.185 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.294 -10.393 -5.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.282 -10.648 -8.083 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.941 -9.524 -8.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.756 -14.113 -8.217 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.720 -13.366 -6.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.103 -13.078 -7.685 1.00 0.00 H new ATOM 20 N GLU A 2 -0.916 -9.068 -3.343 1.00 0.00 N ATOM 21 CA GLU A 2 -1.533 -8.736 -2.066 1.00 0.00 C ATOM 22 C GLU A 2 -0.491 -8.587 -0.954 1.00 0.00 C ATOM 23 O GLU A 2 0.442 -9.383 -0.849 1.00 0.00 O ATOM 24 CB GLU A 2 -2.558 -9.808 -1.711 1.00 0.00 C ATOM 25 CG GLU A 2 -3.831 -9.739 -2.540 1.00 0.00 C ATOM 26 CD GLU A 2 -4.667 -11.000 -2.425 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.119 -12.099 -2.657 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.869 -10.888 -2.102 1.00 0.00 O ATOM 0 H GLU A 2 -0.133 -9.718 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.033 -7.772 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.103 -10.790 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.817 -9.715 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.424 -8.883 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.572 -9.573 -3.586 1.00 0.00 H new ATOM 35 N ALA A 3 -0.661 -7.549 -0.133 1.00 0.00 N ATOM 36 CA ALA A 3 0.268 -7.256 0.963 1.00 0.00 C ATOM 37 C ALA A 3 -0.448 -6.653 2.171 1.00 0.00 C ATOM 38 O ALA A 3 -1.425 -5.921 2.011 1.00 0.00 O ATOM 39 CB ALA A 3 1.316 -6.282 0.455 1.00 0.00 C ATOM 0 H ALA A 3 -1.438 -6.893 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 3 0.728 -8.189 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.017 -6.051 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.854 -6.730 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.830 -5.365 0.123 1.00 0.00 H new ATOM 45 N ILE A 4 0.083 -6.882 3.370 1.00 0.00 N ATOM 46 CA ILE A 4 -0.485 -6.305 4.588 1.00 0.00 C ATOM 47 C ILE A 4 0.345 -5.101 5.018 1.00 0.00 C ATOM 48 O ILE A 4 1.540 -5.037 4.731 1.00 0.00 O ATOM 49 CB ILE A 4 -0.512 -7.347 5.738 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.170 -6.767 6.996 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.890 -7.838 6.054 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.312 -7.606 7.523 1.00 0.00 C ATOM 0 H ILE A 4 0.907 -7.463 3.525 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.509 -5.996 4.375 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.109 -8.195 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.416 -6.664 7.776 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.538 -5.765 6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.846 -8.567 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.321 -8.304 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.511 -6.995 6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.729 -7.135 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.086 -7.688 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.946 -8.601 7.777 1.00 0.00 H new ATOM 64 N ALA A 5 -0.266 -4.173 5.749 1.00 0.00 N ATOM 65 CA ALA A 5 0.461 -2.995 6.195 1.00 0.00 C ATOM 66 C ALA A 5 0.162 -2.650 7.623 1.00 0.00 C ATOM 67 O ALA A 5 -0.844 -1.984 7.880 1.00 0.00 O ATOM 68 CB ALA A 5 0.072 -1.813 5.316 1.00 0.00 C ATOM 0 H ALA A 5 -1.243 -4.213 6.039 1.00 0.00 H new ATOM 0 HA ALA A 5 1.526 -3.214 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.612 -0.924 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.326 -2.032 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.001 -1.636 5.397 1.00 0.00 H new ATOM 74 N LYS A 6 1.046 -2.975 8.568 1.00 0.00 N ATOM 75 CA LYS A 6 0.736 -2.528 9.903 1.00 0.00 C ATOM 76 C LYS A 6 1.615 -1.357 10.267 1.00 0.00 C ATOM 77 O LYS A 6 2.637 -1.488 10.945 1.00 0.00 O ATOM 78 CB LYS A 6 0.984 -3.687 10.875 1.00 0.00 C ATOM 79 CG LYS A 6 0.803 -3.319 12.336 1.00 0.00 C ATOM 80 CD LYS A 6 2.021 -3.678 13.166 1.00 0.00 C ATOM 81 CE LYS A 6 2.092 -2.834 14.429 1.00 0.00 C ATOM 82 NZ LYS A 6 2.174 -3.672 15.656 1.00 0.00 N ATOM 0 H LYS A 6 1.910 -3.502 8.443 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.306 -2.213 9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.305 -4.504 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.998 -4.060 10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.609 -2.250 12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.072 -3.833 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.985 -4.734 13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.924 -3.529 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.962 -2.179 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.213 -2.193 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.221 -3.057 16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.332 -4.279 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.027 -4.266 15.614 1.00 0.00 H new ATOM 96 N HIS A 7 1.088 -0.196 9.929 1.00 0.00 N ATOM 97 CA HIS A 7 1.624 1.093 10.306 1.00 0.00 C ATOM 98 C HIS A 7 0.546 2.090 9.867 1.00 0.00 C ATOM 99 O HIS A 7 0.270 2.137 8.668 1.00 0.00 O ATOM 100 CB HIS A 7 2.990 1.350 9.678 1.00 0.00 C ATOM 101 CG HIS A 7 4.132 1.036 10.596 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.960 0.609 11.899 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.470 1.089 10.396 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.141 0.416 12.457 1.00 0.00 C ATOM 105 NE2 HIS A 7 6.072 0.700 11.567 1.00 0.00 N ATOM 0 H HIS A 7 0.243 -0.125 9.363 1.00 0.00 H new ATOM 0 HA HIS A 7 1.823 1.174 11.375 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.085 0.750 8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.053 2.395 9.376 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.970 1.383 9.485 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.315 0.083 13.469 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.078 0.640 11.724 1.00 0.00 H new ATOM 114 N ASP A 8 -0.048 2.916 10.717 1.00 0.00 N ATOM 115 CA ASP A 8 -1.026 3.866 10.176 1.00 0.00 C ATOM 116 C ASP A 8 -0.294 4.766 9.170 1.00 0.00 C ATOM 117 O ASP A 8 0.914 4.965 9.287 1.00 0.00 O ATOM 118 CB ASP A 8 -1.687 4.713 11.265 1.00 0.00 C ATOM 119 CG ASP A 8 -0.680 5.302 12.233 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.150 6.127 11.798 1.00 0.00 O ATOM 121 OD2 ASP A 8 -0.723 4.939 13.427 1.00 0.00 O ATOM 0 H ASP A 8 0.111 2.956 11.724 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.830 3.310 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.254 5.520 10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.400 4.099 11.816 1.00 0.00 H new ATOM 126 N PHE A 9 -1.026 5.346 8.216 1.00 0.00 N ATOM 127 CA PHE A 9 -0.393 6.248 7.245 1.00 0.00 C ATOM 128 C PHE A 9 -1.393 7.063 6.432 1.00 0.00 C ATOM 129 O PHE A 9 -2.540 6.669 6.218 1.00 0.00 O ATOM 130 CB PHE A 9 0.520 5.510 6.255 1.00 0.00 C ATOM 131 CG PHE A 9 1.364 6.446 5.435 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.523 6.995 5.964 1.00 0.00 C ATOM 133 CD2 PHE A 9 0.995 6.793 4.147 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.296 7.868 5.224 1.00 0.00 C ATOM 135 CE2 PHE A 9 1.767 7.666 3.402 1.00 0.00 C ATOM 136 CZ PHE A 9 2.918 8.204 3.941 1.00 0.00 C ATOM 0 H PHE A 9 -2.030 5.214 8.094 1.00 0.00 H new ATOM 0 HA PHE A 9 0.198 6.921 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.170 4.829 6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.091 4.900 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.825 6.736 6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.095 6.378 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.196 8.287 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.469 7.927 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.521 8.886 3.360 1.00 0.00 H new ATOM 146 N SER A 10 -0.856 8.146 5.878 1.00 0.00 N ATOM 147 CA SER A 10 -1.637 9.001 4.995 1.00 0.00 C ATOM 148 C SER A 10 -0.785 9.584 3.871 1.00 0.00 C ATOM 149 O SER A 10 -0.046 10.545 4.079 1.00 0.00 O ATOM 150 CB SER A 10 -2.309 10.131 5.776 1.00 0.00 C ATOM 151 OG SER A 10 -3.691 9.871 5.960 1.00 0.00 O ATOM 0 H SER A 10 0.107 8.449 6.024 1.00 0.00 H new ATOM 0 HA SER A 10 -2.407 8.373 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.825 10.245 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.181 11.073 5.243 1.00 0.00 H new ATOM 0 HG SER A 10 -4.098 10.607 6.463 1.00 0.00 H new ATOM 157 N ALA A 11 -0.975 9.033 2.666 1.00 0.00 N ATOM 158 CA ALA A 11 -0.285 9.454 1.442 1.00 0.00 C ATOM 159 C ALA A 11 0.371 10.826 1.518 1.00 0.00 C ATOM 160 O ALA A 11 -0.118 11.762 2.150 1.00 0.00 O ATOM 161 CB ALA A 11 -1.302 9.476 0.315 1.00 0.00 C ATOM 0 H ALA A 11 -1.628 8.265 2.512 1.00 0.00 H new ATOM 0 HA ALA A 11 0.522 8.739 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.814 9.786 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.723 8.479 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.099 10.178 0.558 1.00 0.00 H new ATOM 167 N THR A 12 1.507 10.900 0.821 1.00 0.00 N ATOM 168 CA THR A 12 2.315 12.102 0.734 1.00 0.00 C ATOM 169 C THR A 12 2.112 12.780 -0.635 1.00 0.00 C ATOM 170 O THR A 12 2.540 13.912 -0.857 1.00 0.00 O ATOM 171 CB THR A 12 3.801 11.743 1.025 1.00 0.00 C ATOM 172 OG1 THR A 12 4.145 12.102 2.352 1.00 0.00 O ATOM 173 CG2 THR A 12 4.827 12.393 0.108 1.00 0.00 C ATOM 0 H THR A 12 1.890 10.113 0.297 1.00 0.00 H new ATOM 0 HA THR A 12 2.003 12.827 1.485 1.00 0.00 H new ATOM 0 HB THR A 12 3.846 10.668 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.082 11.869 2.522 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.828 12.075 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.636 12.093 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.753 13.477 0.190 1.00 0.00 H new ATOM 181 N ALA A 13 1.411 12.080 -1.521 1.00 0.00 N ATOM 182 CA ALA A 13 1.098 12.608 -2.849 1.00 0.00 C ATOM 183 C ALA A 13 -0.342 12.235 -3.183 1.00 0.00 C ATOM 184 O ALA A 13 -0.841 11.227 -2.686 1.00 0.00 O ATOM 185 CB ALA A 13 2.062 12.038 -3.878 1.00 0.00 C ATOM 0 H ALA A 13 1.047 11.143 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 13 1.205 13.693 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.821 12.437 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.082 12.316 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.975 10.952 -3.895 1.00 0.00 H new ATOM 191 N ASP A 14 -1.027 13.016 -4.018 1.00 0.00 N ATOM 192 CA ASP A 14 -2.409 12.737 -4.391 1.00 0.00 C ATOM 193 C ASP A 14 -2.559 11.381 -5.060 1.00 0.00 C ATOM 194 O ASP A 14 -3.571 10.702 -4.885 1.00 0.00 O ATOM 195 CB ASP A 14 -2.946 13.788 -5.364 1.00 0.00 C ATOM 196 CG ASP A 14 -3.331 15.077 -4.667 1.00 0.00 C ATOM 197 OD1 ASP A 14 -3.979 15.006 -3.602 1.00 0.00 O ATOM 198 OD2 ASP A 14 -2.984 16.159 -5.186 1.00 0.00 O ATOM 0 H ASP A 14 -0.640 13.854 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.974 12.753 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.190 13.999 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.815 13.386 -5.885 1.00 0.00 H new ATOM 203 N ASP A 15 -1.513 10.949 -5.757 1.00 0.00 N ATOM 204 CA ASP A 15 -1.525 9.646 -6.404 1.00 0.00 C ATOM 205 C ASP A 15 -1.064 8.556 -5.442 1.00 0.00 C ATOM 206 O ASP A 15 -0.755 7.443 -5.867 1.00 0.00 O ATOM 207 CB ASP A 15 -0.643 9.659 -7.654 1.00 0.00 C ATOM 208 CG ASP A 15 0.790 10.045 -7.343 1.00 0.00 C ATOM 209 OD1 ASP A 15 0.992 10.983 -6.543 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.710 9.409 -7.900 1.00 0.00 O ATOM 0 H ASP A 15 -0.652 11.480 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.550 9.427 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.659 8.673 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.056 10.359 -8.380 1.00 0.00 H new ATOM 215 N GLU A 16 -1.075 8.845 -4.143 1.00 0.00 N ATOM 216 CA GLU A 16 -0.715 7.854 -3.148 1.00 0.00 C ATOM 217 C GLU A 16 -1.989 7.370 -2.473 1.00 0.00 C ATOM 218 O GLU A 16 -3.084 7.787 -2.854 1.00 0.00 O ATOM 219 CB GLU A 16 0.260 8.430 -2.117 1.00 0.00 C ATOM 220 CG GLU A 16 1.713 8.093 -2.400 1.00 0.00 C ATOM 221 CD GLU A 16 2.680 8.916 -1.576 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.765 8.684 -0.353 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.353 9.794 -2.155 1.00 0.00 O ATOM 0 H GLU A 16 -1.329 9.756 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.209 7.019 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.146 9.514 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.006 8.055 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.881 7.035 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.918 8.253 -3.459 1.00 0.00 H new ATOM 230 N LEU A 17 -1.873 6.414 -1.570 1.00 0.00 N ATOM 231 CA LEU A 17 -3.055 5.837 -0.951 1.00 0.00 C ATOM 232 C LEU A 17 -2.879 5.665 0.558 1.00 0.00 C ATOM 233 O LEU A 17 -1.978 4.955 1.005 1.00 0.00 O ATOM 234 CB LEU A 17 -3.309 4.458 -1.567 1.00 0.00 C ATOM 235 CG LEU A 17 -4.782 4.124 -1.828 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.610 4.343 -0.573 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.329 4.959 -2.980 1.00 0.00 C ATOM 0 H LEU A 17 -0.986 6.024 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.892 6.513 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.765 4.392 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.892 3.699 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.848 3.072 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.653 4.101 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.238 3.700 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.534 5.386 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.376 4.706 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.247 6.018 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.756 4.752 -3.884 1.00 0.00 H new ATOM 249 N SER A 18 -3.782 6.260 1.335 1.00 0.00 N ATOM 250 CA SER A 18 -3.738 6.136 2.790 1.00 0.00 C ATOM 251 C SER A 18 -4.453 4.879 3.255 1.00 0.00 C ATOM 252 O SER A 18 -5.195 4.246 2.502 1.00 0.00 O ATOM 253 CB SER A 18 -4.374 7.353 3.473 1.00 0.00 C ATOM 254 OG SER A 18 -4.027 8.564 2.821 1.00 0.00 O ATOM 0 H SER A 18 -4.550 6.831 0.983 1.00 0.00 H new ATOM 0 HA SER A 18 -2.686 6.078 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.458 7.241 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.052 7.395 4.514 1.00 0.00 H new ATOM 0 HG SER A 18 -4.451 9.317 3.282 1.00 0.00 H new ATOM 260 N PHE A 19 -4.178 4.505 4.501 1.00 0.00 N ATOM 261 CA PHE A 19 -4.765 3.321 5.105 1.00 0.00 C ATOM 262 C PHE A 19 -4.510 3.292 6.610 1.00 0.00 C ATOM 263 O PHE A 19 -3.924 4.227 7.168 1.00 0.00 O ATOM 264 CB PHE A 19 -4.227 2.049 4.449 1.00 0.00 C ATOM 265 CG PHE A 19 -2.736 1.901 4.561 1.00 0.00 C ATOM 266 CD1 PHE A 19 -2.144 1.579 5.772 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.926 2.081 3.453 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.773 1.441 5.875 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.554 1.944 3.550 1.00 0.00 C ATOM 270 CZ PHE A 19 0.023 1.623 4.762 1.00 0.00 C ATOM 0 H PHE A 19 -3.544 5.015 5.116 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.842 3.363 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.705 1.183 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.506 2.047 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.762 1.434 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.371 2.331 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.325 1.191 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.066 2.088 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.095 1.514 4.839 1.00 0.00 H new ATOM 280 N ARG A 20 -5.002 2.256 7.275 1.00 0.00 N ATOM 281 CA ARG A 20 -4.849 2.140 8.721 1.00 0.00 C ATOM 282 C ARG A 20 -3.929 0.983 9.070 1.00 0.00 C ATOM 283 O ARG A 20 -3.627 0.154 8.210 1.00 0.00 O ATOM 284 CB ARG A 20 -6.203 1.942 9.417 1.00 0.00 C ATOM 285 CG ARG A 20 -7.407 2.231 8.537 1.00 0.00 C ATOM 286 CD ARG A 20 -7.544 3.717 8.252 1.00 0.00 C ATOM 287 NE ARG A 20 -7.810 3.981 6.841 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.013 3.886 6.283 1.00 0.00 C ATOM 289 NH1 ARG A 20 -10.062 3.520 7.009 1.00 0.00 N ATOM 290 NH2 ARG A 20 -9.169 4.153 4.994 1.00 0.00 N ATOM 0 H ARG A 20 -5.509 1.486 6.839 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.411 3.073 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.268 0.914 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.245 2.588 10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.312 1.687 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.311 1.868 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.352 4.129 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.629 4.229 8.551 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.026 4.255 6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.948 3.310 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.983 3.449 6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.366 4.431 4.430 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.092 4.080 4.566 1.00 0.00 H new ATOM 304 N LYS A 21 -3.537 0.869 10.330 1.00 0.00 N ATOM 305 CA LYS A 21 -2.724 -0.254 10.751 1.00 0.00 C ATOM 306 C LYS A 21 -3.538 -1.535 10.570 1.00 0.00 C ATOM 307 O LYS A 21 -4.711 -1.590 10.941 1.00 0.00 O ATOM 308 CB LYS A 21 -2.356 -0.099 12.224 1.00 0.00 C ATOM 309 CG LYS A 21 -1.190 -0.964 12.650 1.00 0.00 C ATOM 310 CD LYS A 21 -1.346 -1.440 14.083 1.00 0.00 C ATOM 311 CE LYS A 21 -1.013 -0.337 15.075 1.00 0.00 C ATOM 312 NZ LYS A 21 -0.275 -0.857 16.260 1.00 0.00 N ATOM 0 H LYS A 21 -3.767 1.534 11.069 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.812 -0.295 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.114 0.945 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.224 -0.347 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.112 -1.825 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.262 -0.400 12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.369 -1.780 14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.694 -2.296 14.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.413 0.427 14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.934 0.145 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.511 -0.284 17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.546 -1.846 16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.748 -0.805 16.082 1.00 0.00 H new ATOM 326 N THR A 22 -2.913 -2.561 9.995 1.00 0.00 N ATOM 327 CA THR A 22 -3.546 -3.863 9.792 1.00 0.00 C ATOM 328 C THR A 22 -4.466 -3.949 8.578 1.00 0.00 C ATOM 329 O THR A 22 -5.138 -4.966 8.401 1.00 0.00 O ATOM 330 CB THR A 22 -4.316 -4.286 11.047 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.558 -4.016 12.213 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.675 -5.758 11.066 1.00 0.00 C ATOM 0 H THR A 22 -1.952 -2.513 9.656 1.00 0.00 H new ATOM 0 HA THR A 22 -2.721 -4.547 9.593 1.00 0.00 H new ATOM 0 HB THR A 22 -5.238 -3.705 11.028 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.066 -4.291 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.219 -5.988 11.982 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.301 -5.991 10.205 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.764 -6.355 11.025 1.00 0.00 H new ATOM 340 N GLN A 23 -4.528 -2.917 7.736 1.00 0.00 N ATOM 341 CA GLN A 23 -5.401 -3.005 6.573 1.00 0.00 C ATOM 342 C GLN A 23 -4.754 -3.779 5.430 1.00 0.00 C ATOM 343 O GLN A 23 -3.549 -4.023 5.432 1.00 0.00 O ATOM 344 CB GLN A 23 -5.889 -1.651 6.052 1.00 0.00 C ATOM 345 CG GLN A 23 -7.398 -1.560 5.909 1.00 0.00 C ATOM 346 CD GLN A 23 -7.823 -0.963 4.582 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.568 0.208 4.305 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.475 -1.771 3.753 1.00 0.00 N ATOM 0 H GLN A 23 -4.006 -2.046 7.832 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.275 -3.547 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.549 -0.867 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.429 -1.457 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.829 -2.556 6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.800 -0.954 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.665 -2.736 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.786 -1.427 2.845 1.00 0.00 H new ATOM 357 N ILE A 24 -5.571 -4.164 4.456 1.00 0.00 N ATOM 358 CA ILE A 24 -5.091 -4.914 3.304 1.00 0.00 C ATOM 359 C ILE A 24 -4.983 -4.032 2.063 1.00 0.00 C ATOM 360 O ILE A 24 -5.965 -3.427 1.636 1.00 0.00 O ATOM 361 CB ILE A 24 -6.018 -6.111 2.998 1.00 0.00 C ATOM 362 CG1 ILE A 24 -5.383 -7.015 1.945 1.00 0.00 C ATOM 363 CG2 ILE A 24 -7.397 -5.647 2.552 1.00 0.00 C ATOM 364 CD1 ILE A 24 -5.441 -6.484 0.529 1.00 0.00 C ATOM 0 H ILE A 24 -6.572 -3.968 4.443 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.097 -5.282 3.559 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.147 -6.682 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.340 -7.182 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.879 -7.985 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.023 -6.515 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.853 -5.050 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.303 -5.043 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.965 -7.195 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.481 -6.345 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.918 -5.529 0.477 1.00 0.00 H new ATOM 376 N LEU A 25 -3.790 -3.963 1.473 1.00 0.00 N ATOM 377 CA LEU A 25 -3.602 -3.154 0.275 1.00 0.00 C ATOM 378 C LEU A 25 -3.364 -4.016 -0.959 1.00 0.00 C ATOM 379 O LEU A 25 -2.703 -5.058 -0.887 1.00 0.00 O ATOM 380 CB LEU A 25 -2.465 -2.148 0.438 1.00 0.00 C ATOM 381 CG LEU A 25 -2.329 -1.538 1.830 1.00 0.00 C ATOM 382 CD1 LEU A 25 -0.969 -0.880 1.978 1.00 0.00 C ATOM 383 CD2 LEU A 25 -3.444 -0.533 2.086 1.00 0.00 C ATOM 0 H LEU A 25 -2.955 -4.449 1.799 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.529 -2.599 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.527 -2.640 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.609 -1.342 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.414 -2.333 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.881 -0.447 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.187 -1.625 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.862 -0.094 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.330 -0.109 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.392 0.264 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.409 -1.034 2.013 1.00 0.00 H new ATOM 395 N LYS A 26 -3.935 -3.595 -2.084 1.00 0.00 N ATOM 396 CA LYS A 26 -3.830 -4.324 -3.343 1.00 0.00 C ATOM 397 C LYS A 26 -2.557 -3.971 -4.100 1.00 0.00 C ATOM 398 O LYS A 26 -2.508 -2.972 -4.808 1.00 0.00 O ATOM 399 CB LYS A 26 -5.006 -3.916 -4.221 1.00 0.00 C ATOM 400 CG LYS A 26 -6.305 -4.604 -3.854 1.00 0.00 C ATOM 401 CD LYS A 26 -6.623 -5.728 -4.824 1.00 0.00 C ATOM 402 CE LYS A 26 -8.090 -5.725 -5.215 1.00 0.00 C ATOM 403 NZ LYS A 26 -8.856 -6.772 -4.488 1.00 0.00 N ATOM 0 H LYS A 26 -4.484 -2.738 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.822 -5.391 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.144 -2.837 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.767 -4.140 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.236 -5.002 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.118 -3.878 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.007 -5.625 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.368 -6.685 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.521 -4.746 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.181 -5.888 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.853 -6.739 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.461 -7.708 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.790 -6.602 -3.464 1.00 0.00 H new ATOM 417 N ILE A 27 -1.547 -4.817 -3.979 1.00 0.00 N ATOM 418 CA ILE A 27 -0.296 -4.573 -4.679 1.00 0.00 C ATOM 419 C ILE A 27 -0.440 -4.957 -6.147 1.00 0.00 C ATOM 420 O ILE A 27 -0.992 -6.009 -6.469 1.00 0.00 O ATOM 421 CB ILE A 27 0.880 -5.339 -4.017 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.335 -4.605 -2.752 1.00 0.00 C ATOM 423 CG2 ILE A 27 2.056 -5.507 -4.977 1.00 0.00 C ATOM 424 CD1 ILE A 27 0.197 -4.209 -1.832 1.00 0.00 C ATOM 0 H ILE A 27 -1.566 -5.665 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.067 -3.509 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 27 0.523 -6.334 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.029 -5.242 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.885 -3.709 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.859 -6.048 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.732 -6.067 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.417 -4.526 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.597 -3.694 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.486 -3.546 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.340 -5.102 -1.512 1.00 0.00 H new ATOM 436 N LEU A 28 -0.039 -4.050 -7.034 1.00 0.00 N ATOM 437 CA LEU A 28 -0.210 -4.282 -8.463 1.00 0.00 C ATOM 438 C LEU A 28 0.960 -3.776 -9.296 1.00 0.00 C ATOM 439 O LEU A 28 1.235 -4.329 -10.362 1.00 0.00 O ATOM 440 CB LEU A 28 -1.495 -3.617 -8.950 1.00 0.00 C ATOM 441 CG LEU A 28 -2.784 -4.336 -8.554 1.00 0.00 C ATOM 442 CD1 LEU A 28 -3.958 -3.370 -8.562 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.044 -5.512 -9.488 1.00 0.00 C ATOM 0 H LEU A 28 0.400 -3.161 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.261 -5.363 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.530 -2.599 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.458 -3.541 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.669 -4.722 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.867 -3.900 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.771 -2.564 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.079 -2.953 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.965 -6.014 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.140 -5.150 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.213 -6.215 -9.428 1.00 0.00 H new ATOM 455 N ASN A 29 1.698 -2.784 -8.804 1.00 0.00 N ATOM 456 CA ASN A 29 2.864 -2.332 -9.544 1.00 0.00 C ATOM 457 C ASN A 29 3.945 -1.835 -8.610 1.00 0.00 C ATOM 458 O ASN A 29 3.894 -0.747 -8.037 1.00 0.00 O ATOM 459 CB ASN A 29 2.441 -1.241 -10.536 1.00 0.00 C ATOM 460 CG ASN A 29 3.615 -0.572 -11.223 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.969 -0.916 -12.350 1.00 0.00 O ATOM 462 ND2 ASN A 29 4.221 0.395 -10.543 1.00 0.00 N ATOM 0 H ASN A 29 1.516 -2.295 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 29 3.283 -3.172 -10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.788 -1.679 -11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.858 -0.486 -10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.015 0.886 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.892 0.646 -9.611 1.00 0.00 H new ATOM 469 N MET A 30 4.967 -2.670 -8.575 1.00 0.00 N ATOM 470 CA MET A 30 6.193 -2.489 -7.853 1.00 0.00 C ATOM 471 C MET A 30 7.374 -2.670 -8.779 1.00 0.00 C ATOM 472 O MET A 30 7.519 -3.745 -9.356 1.00 0.00 O ATOM 473 CB MET A 30 6.283 -3.488 -6.696 1.00 0.00 C ATOM 474 CG MET A 30 5.766 -4.874 -7.040 1.00 0.00 C ATOM 475 SD MET A 30 6.366 -6.137 -5.902 1.00 0.00 S ATOM 476 CE MET A 30 7.711 -6.837 -6.854 1.00 0.00 C ATOM 0 H MET A 30 4.952 -3.551 -9.089 1.00 0.00 H new ATOM 0 HA MET A 30 6.210 -1.477 -7.447 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.322 -3.567 -6.377 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.718 -3.100 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.676 -4.865 -7.026 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.070 -5.130 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.185 -7.635 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.323 -7.241 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.445 -6.061 -7.071 1.00 0.00 H new ATOM 486 N GLU A 31 8.297 -1.730 -8.784 1.00 0.00 N ATOM 487 CA GLU A 31 9.561 -1.930 -9.507 1.00 0.00 C ATOM 488 C GLU A 31 10.387 -0.689 -9.820 1.00 0.00 C ATOM 489 O GLU A 31 11.584 -0.632 -9.539 1.00 0.00 O ATOM 490 CB GLU A 31 9.487 -2.867 -10.721 1.00 0.00 C ATOM 491 CG GLU A 31 8.611 -2.335 -11.843 1.00 0.00 C ATOM 492 CD GLU A 31 8.298 -3.384 -12.891 1.00 0.00 C ATOM 493 OE1 GLU A 31 9.249 -4.009 -13.407 1.00 0.00 O ATOM 494 OE2 GLU A 31 7.104 -3.581 -13.196 1.00 0.00 O ATOM 0 H GLU A 31 8.210 -0.832 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 31 10.123 -2.453 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.494 -3.033 -11.104 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.104 -3.836 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.679 -1.959 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.110 -1.491 -12.318 1.00 0.00 H new ATOM 501 N ASP A 32 9.715 0.316 -10.364 1.00 0.00 N ATOM 502 CA ASP A 32 10.386 1.570 -10.678 1.00 0.00 C ATOM 503 C ASP A 32 10.597 2.361 -9.402 1.00 0.00 C ATOM 504 O ASP A 32 11.213 3.427 -9.403 1.00 0.00 O ATOM 505 CB ASP A 32 9.589 2.415 -11.675 1.00 0.00 C ATOM 506 CG ASP A 32 8.110 2.467 -11.342 1.00 0.00 C ATOM 507 OD1 ASP A 32 7.425 1.438 -11.524 1.00 0.00 O ATOM 508 OD2 ASP A 32 7.638 3.535 -10.903 1.00 0.00 O ATOM 0 H ASP A 32 8.722 0.290 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 32 11.343 1.328 -11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.990 3.428 -11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.718 2.006 -12.677 1.00 0.00 H new ATOM 513 N ASP A 33 10.006 1.854 -8.328 1.00 0.00 N ATOM 514 CA ASP A 33 10.076 2.499 -7.043 1.00 0.00 C ATOM 515 C ASP A 33 10.199 1.457 -5.943 1.00 0.00 C ATOM 516 O ASP A 33 9.199 1.084 -5.327 1.00 0.00 O ATOM 517 CB ASP A 33 8.828 3.358 -6.814 1.00 0.00 C ATOM 518 CG ASP A 33 9.159 4.831 -6.666 1.00 0.00 C ATOM 519 OD1 ASP A 33 9.737 5.208 -5.625 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.840 5.607 -7.591 1.00 0.00 O ATOM 0 H ASP A 33 9.469 0.987 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 33 10.955 3.143 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.140 3.225 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.312 3.013 -5.918 1.00 0.00 H new ATOM 525 N SER A 34 11.411 0.957 -5.716 1.00 0.00 N ATOM 526 CA SER A 34 11.642 -0.078 -4.711 1.00 0.00 C ATOM 527 C SER A 34 11.285 0.409 -3.311 1.00 0.00 C ATOM 528 O SER A 34 11.908 -0.028 -2.342 1.00 0.00 O ATOM 529 CB SER A 34 13.109 -0.512 -4.745 1.00 0.00 C ATOM 530 OG SER A 34 13.304 -1.710 -4.013 1.00 0.00 O ATOM 0 H SER A 34 12.250 1.252 -6.215 1.00 0.00 H new ATOM 0 HA SER A 34 10.998 -0.925 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.424 -0.658 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.735 0.278 -4.329 1.00 0.00 H new ATOM 0 HG SER A 34 12.885 -1.626 -3.131 1.00 0.00 H new ATOM 536 N ASN A 35 10.386 1.377 -3.184 1.00 0.00 N ATOM 537 CA ASN A 35 10.091 1.933 -1.857 1.00 0.00 C ATOM 538 C ASN A 35 8.635 2.357 -1.693 1.00 0.00 C ATOM 539 O ASN A 35 8.097 2.355 -0.587 1.00 0.00 O ATOM 540 CB ASN A 35 10.997 3.142 -1.612 1.00 0.00 C ATOM 541 CG ASN A 35 11.535 3.178 -0.195 1.00 0.00 C ATOM 542 OD1 ASN A 35 11.184 4.057 0.592 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.391 2.218 0.137 1.00 0.00 N ATOM 0 H ASN A 35 9.859 1.788 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 35 10.276 1.144 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.830 3.118 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.440 4.057 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.786 2.189 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.654 1.510 -0.548 1.00 0.00 H new ATOM 550 N TRP A 36 8.006 2.728 -2.790 1.00 0.00 N ATOM 551 CA TRP A 36 6.614 3.143 -2.765 1.00 0.00 C ATOM 552 C TRP A 36 5.854 2.310 -3.782 1.00 0.00 C ATOM 553 O TRP A 36 6.188 2.316 -4.967 1.00 0.00 O ATOM 554 CB TRP A 36 6.499 4.642 -3.071 1.00 0.00 C ATOM 555 CG TRP A 36 7.376 5.481 -2.187 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.663 5.862 -2.438 1.00 0.00 C ATOM 557 CD2 TRP A 36 7.038 6.035 -0.904 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.149 6.608 -1.392 1.00 0.00 N ATOM 559 CE2 TRP A 36 8.171 6.729 -0.439 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.891 6.012 -0.101 1.00 0.00 C ATOM 561 CZ2 TRP A 36 8.190 7.387 0.789 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.915 6.671 1.119 1.00 0.00 C ATOM 563 CH2 TRP A 36 7.058 7.347 1.550 1.00 0.00 C ATOM 0 H TRP A 36 8.437 2.751 -3.714 1.00 0.00 H new ATOM 0 HA TRP A 36 6.187 2.984 -1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.766 4.818 -4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.462 4.955 -2.950 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.219 5.613 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.086 7.007 -1.334 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.003 5.490 -0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.071 7.911 1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.035 6.661 1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.046 7.849 2.506 1.00 0.00 H new ATOM 574 N TYR A 37 4.902 1.511 -3.310 1.00 0.00 N ATOM 575 CA TYR A 37 4.191 0.605 -4.202 1.00 0.00 C ATOM 576 C TYR A 37 2.902 1.198 -4.731 1.00 0.00 C ATOM 577 O TYR A 37 2.321 2.087 -4.115 1.00 0.00 O ATOM 578 CB TYR A 37 3.889 -0.714 -3.485 1.00 0.00 C ATOM 579 CG TYR A 37 5.117 -1.485 -3.042 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.373 -1.204 -3.566 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.011 -2.499 -2.098 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.489 -1.913 -3.160 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.121 -3.212 -1.688 1.00 0.00 C ATOM 584 CZ TYR A 37 7.358 -2.916 -2.222 1.00 0.00 C ATOM 585 OH TYR A 37 8.465 -3.624 -1.817 1.00 0.00 O ATOM 0 H TYR A 37 4.610 1.472 -2.334 1.00 0.00 H new ATOM 0 HA TYR A 37 4.845 0.427 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.272 -0.505 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.298 -1.346 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.479 -0.420 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.044 -2.734 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.459 -1.682 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.021 -3.997 -0.953 1.00 0.00 H new ATOM 0 HH TYR A 37 8.200 -4.293 -1.152 1.00 0.00 H new ATOM 595 N ARG A 38 2.515 0.766 -5.927 1.00 0.00 N ATOM 596 CA ARG A 38 1.298 1.242 -6.556 1.00 0.00 C ATOM 597 C ARG A 38 0.263 0.186 -6.228 1.00 0.00 C ATOM 598 O ARG A 38 0.216 -0.876 -6.851 1.00 0.00 O ATOM 599 CB ARG A 38 1.469 1.415 -8.066 1.00 0.00 C ATOM 600 CG ARG A 38 0.915 2.727 -8.595 1.00 0.00 C ATOM 601 CD ARG A 38 2.003 3.575 -9.238 1.00 0.00 C ATOM 602 NE ARG A 38 1.466 4.806 -9.812 1.00 0.00 N ATOM 603 CZ ARG A 38 1.038 4.916 -11.068 1.00 0.00 C ATOM 604 NH1 ARG A 38 1.089 3.878 -11.893 1.00 0.00 N ATOM 605 NH2 ARG A 38 0.554 6.073 -11.501 1.00 0.00 N ATOM 0 H ARG A 38 3.033 0.083 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 38 1.009 2.228 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.529 1.352 -8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.973 0.589 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.132 2.524 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.454 3.283 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.759 3.822 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.500 2.998 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 38 1.416 5.631 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.459 2.985 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.758 3.973 -12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.511 6.875 -10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.225 6.160 -12.463 1.00 0.00 H new ATOM 619 N ALA A 39 -0.549 0.476 -5.229 1.00 0.00 N ATOM 620 CA ALA A 39 -1.571 -0.451 -4.788 1.00 0.00 C ATOM 621 C ALA A 39 -2.959 0.038 -5.169 1.00 0.00 C ATOM 622 O ALA A 39 -3.137 1.163 -5.636 1.00 0.00 O ATOM 623 CB ALA A 39 -1.463 -0.663 -3.286 1.00 0.00 C ATOM 0 H ALA A 39 -0.519 1.351 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.413 -1.405 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.234 -1.361 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.481 -1.070 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.596 0.290 -2.774 1.00 0.00 H new ATOM 629 N GLU A 40 -3.933 -0.835 -4.969 1.00 0.00 N ATOM 630 CA GLU A 40 -5.310 -0.508 -5.299 1.00 0.00 C ATOM 631 C GLU A 40 -6.210 -0.587 -4.075 1.00 0.00 C ATOM 632 O GLU A 40 -5.948 -1.341 -3.137 1.00 0.00 O ATOM 633 CB GLU A 40 -5.836 -1.442 -6.393 1.00 0.00 C ATOM 634 CG GLU A 40 -7.044 -0.898 -7.141 1.00 0.00 C ATOM 635 CD GLU A 40 -8.313 -1.672 -6.842 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.232 -2.910 -6.693 1.00 0.00 O ATOM 637 OE2 GLU A 40 -9.388 -1.042 -6.759 1.00 0.00 O ATOM 0 H GLU A 40 -3.797 -1.769 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.324 0.518 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.036 -1.635 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.100 -2.399 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.190 0.149 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.848 -0.930 -8.213 1.00 0.00 H new ATOM 644 N LEU A 41 -7.230 0.253 -4.062 1.00 0.00 N ATOM 645 CA LEU A 41 -8.154 0.328 -2.945 1.00 0.00 C ATOM 646 C LEU A 41 -9.453 0.960 -3.416 1.00 0.00 C ATOM 647 O LEU A 41 -9.444 2.023 -4.034 1.00 0.00 O ATOM 648 CB LEU A 41 -7.535 1.159 -1.820 1.00 0.00 C ATOM 649 CG LEU A 41 -7.854 0.699 -0.397 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.515 -0.772 -0.208 1.00 0.00 C ATOM 651 CD2 LEU A 41 -7.091 1.550 0.599 1.00 0.00 C ATOM 0 H LEU A 41 -7.440 0.900 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.360 -0.673 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.452 1.158 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.868 2.191 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.924 0.819 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.752 -1.072 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.097 -1.372 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.452 -0.927 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.321 1.219 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.021 1.450 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.382 2.594 0.484 1.00 0.00 H new ATOM 663 N ASP A 42 -10.567 0.292 -3.142 1.00 0.00 N ATOM 664 CA ASP A 42 -11.867 0.784 -3.569 1.00 0.00 C ATOM 665 C ASP A 42 -11.915 0.851 -5.095 1.00 0.00 C ATOM 666 O ASP A 42 -12.418 -0.064 -5.750 1.00 0.00 O ATOM 667 CB ASP A 42 -12.151 2.161 -2.960 1.00 0.00 C ATOM 668 CG ASP A 42 -13.137 2.089 -1.809 1.00 0.00 C ATOM 669 OD1 ASP A 42 -13.201 1.030 -1.147 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.844 3.089 -1.570 1.00 0.00 O ATOM 0 H ASP A 42 -10.595 -0.588 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.637 0.097 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.217 2.600 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.544 2.823 -3.732 1.00 0.00 H new ATOM 675 N GLY A 43 -11.361 1.921 -5.658 1.00 0.00 N ATOM 676 CA GLY A 43 -11.331 2.074 -7.101 1.00 0.00 C ATOM 677 C GLY A 43 -10.232 3.016 -7.562 1.00 0.00 C ATOM 678 O GLY A 43 -10.438 3.807 -8.481 1.00 0.00 O ATOM 0 H GLY A 43 -10.931 2.686 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.187 1.098 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.295 2.450 -7.444 1.00 0.00 H new ATOM 682 N LYS A 44 -9.098 3.008 -6.861 1.00 0.00 N ATOM 683 CA LYS A 44 -8.002 3.925 -7.164 1.00 0.00 C ATOM 684 C LYS A 44 -6.638 3.240 -7.081 1.00 0.00 C ATOM 685 O LYS A 44 -6.399 2.416 -6.198 1.00 0.00 O ATOM 686 CB LYS A 44 -8.002 5.060 -6.140 1.00 0.00 C ATOM 687 CG LYS A 44 -7.559 6.394 -6.717 1.00 0.00 C ATOM 688 CD LYS A 44 -8.745 7.304 -6.987 1.00 0.00 C ATOM 689 CE LYS A 44 -8.318 8.583 -7.687 1.00 0.00 C ATOM 690 NZ LYS A 44 -9.485 9.339 -8.223 1.00 0.00 N ATOM 0 H LYS A 44 -8.916 2.377 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.157 4.289 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.005 5.166 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.343 4.793 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.874 6.882 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.009 6.227 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.476 6.778 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.238 7.550 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.767 9.213 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.637 8.340 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.152 10.205 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.996 8.748 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.123 9.593 -7.442 1.00 0.00 H new ATOM 704 N GLU A 45 -5.726 3.638 -7.963 1.00 0.00 N ATOM 705 CA GLU A 45 -4.364 3.117 -7.939 1.00 0.00 C ATOM 706 C GLU A 45 -3.484 4.133 -7.219 1.00 0.00 C ATOM 707 O GLU A 45 -3.241 5.218 -7.749 1.00 0.00 O ATOM 708 CB GLU A 45 -3.836 2.866 -9.357 1.00 0.00 C ATOM 709 CG GLU A 45 -2.409 2.327 -9.398 1.00 0.00 C ATOM 710 CD GLU A 45 -2.303 1.009 -10.141 1.00 0.00 C ATOM 711 OE1 GLU A 45 -2.386 1.023 -11.388 1.00 0.00 O ATOM 712 OE2 GLU A 45 -2.137 -0.035 -9.478 1.00 0.00 O ATOM 0 H GLU A 45 -5.905 4.318 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.350 2.160 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.496 2.159 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.878 3.798 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.761 3.062 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.045 2.195 -8.379 1.00 0.00 H new ATOM 719 N GLY A 46 -3.082 3.837 -5.988 1.00 0.00 N ATOM 720 CA GLY A 46 -2.309 4.812 -5.240 1.00 0.00 C ATOM 721 C GLY A 46 -1.066 4.271 -4.568 1.00 0.00 C ATOM 722 O GLY A 46 -1.084 3.198 -3.965 1.00 0.00 O ATOM 0 H GLY A 46 -3.272 2.960 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.017 5.616 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.951 5.254 -4.478 1.00 0.00 H new ATOM 726 N LEU A 47 0.013 5.039 -4.662 1.00 0.00 N ATOM 727 CA LEU A 47 1.298 4.688 -4.072 1.00 0.00 C ATOM 728 C LEU A 47 1.189 4.539 -2.552 1.00 0.00 C ATOM 729 O LEU A 47 0.397 5.230 -1.912 1.00 0.00 O ATOM 730 CB LEU A 47 2.306 5.788 -4.407 1.00 0.00 C ATOM 731 CG LEU A 47 2.773 5.841 -5.861 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.267 7.240 -6.210 1.00 0.00 C ATOM 733 CD2 LEU A 47 3.864 4.811 -6.108 1.00 0.00 C ATOM 0 H LEU A 47 0.020 5.932 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 47 1.624 3.731 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.863 6.751 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.180 5.660 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 47 1.926 5.604 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.596 7.261 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.458 7.957 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.101 7.504 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.185 4.863 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.713 5.017 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.478 3.814 -5.897 1.00 0.00 H new ATOM 745 N ILE A 48 1.979 3.632 -1.977 1.00 0.00 N ATOM 746 CA ILE A 48 1.937 3.413 -0.531 1.00 0.00 C ATOM 747 C ILE A 48 3.303 3.047 0.064 1.00 0.00 C ATOM 748 O ILE A 48 3.811 1.948 -0.181 1.00 0.00 O ATOM 749 CB ILE A 48 0.926 2.312 -0.163 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.329 0.978 -0.797 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.477 2.713 -0.598 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.947 0.007 0.186 1.00 0.00 C ATOM 0 H ILE A 48 2.645 3.046 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 48 1.626 4.366 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 48 0.928 2.188 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.449 0.518 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.037 1.167 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.180 1.924 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.762 3.638 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.494 2.864 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.209 -0.917 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.845 0.448 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.233 -0.211 0.980 1.00 0.00 H new ATOM 764 N PRO A 49 3.839 3.905 0.973 1.00 0.00 N ATOM 765 CA PRO A 49 5.099 3.674 1.686 1.00 0.00 C ATOM 766 C PRO A 49 5.433 2.181 1.900 1.00 0.00 C ATOM 767 O PRO A 49 4.542 1.360 2.116 1.00 0.00 O ATOM 768 CB PRO A 49 4.901 4.369 3.036 1.00 0.00 C ATOM 769 CG PRO A 49 3.629 5.160 2.913 1.00 0.00 C ATOM 770 CD PRO A 49 3.210 5.132 1.461 1.00 0.00 C ATOM 0 HA PRO A 49 5.938 4.059 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.830 3.640 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.744 5.020 3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.850 4.732 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.783 6.186 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.126 5.103 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.561 6.011 0.920 1.00 0.00 H new ATOM 778 N SER A 50 6.717 1.839 1.746 1.00 0.00 N ATOM 779 CA SER A 50 7.209 0.453 1.880 1.00 0.00 C ATOM 780 C SER A 50 7.358 -0.031 3.335 1.00 0.00 C ATOM 781 O SER A 50 7.039 -1.178 3.649 1.00 0.00 O ATOM 782 CB SER A 50 8.560 0.304 1.179 1.00 0.00 C ATOM 783 OG SER A 50 9.552 1.098 1.808 1.00 0.00 O ATOM 0 H SER A 50 7.450 2.513 1.524 1.00 0.00 H new ATOM 0 HA SER A 50 6.445 -0.169 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.866 -0.742 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.465 0.597 0.133 1.00 0.00 H new ATOM 0 HG SER A 50 10.406 0.984 1.342 1.00 0.00 H new ATOM 789 N ASN A 51 7.923 0.815 4.189 1.00 0.00 N ATOM 790 CA ASN A 51 8.217 0.429 5.579 1.00 0.00 C ATOM 791 C ASN A 51 6.987 0.179 6.459 1.00 0.00 C ATOM 792 O ASN A 51 7.109 -0.421 7.527 1.00 0.00 O ATOM 793 CB ASN A 51 9.070 1.524 6.232 1.00 0.00 C ATOM 794 CG ASN A 51 10.444 1.028 6.643 1.00 0.00 C ATOM 795 OD1 ASN A 51 11.122 0.342 5.880 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.860 1.375 7.856 1.00 0.00 N ATOM 0 H ASN A 51 8.189 1.771 3.952 1.00 0.00 H new ATOM 0 HA ASN A 51 8.740 -0.525 5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.181 2.356 5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.550 1.910 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.775 1.071 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.264 1.946 8.456 1.00 0.00 H new ATOM 803 N TYR A 52 5.815 0.609 6.025 1.00 0.00 N ATOM 804 CA TYR A 52 4.598 0.409 6.812 1.00 0.00 C ATOM 805 C TYR A 52 3.855 -0.884 6.433 1.00 0.00 C ATOM 806 O TYR A 52 2.891 -1.294 7.116 1.00 0.00 O ATOM 807 CB TYR A 52 3.663 1.604 6.602 1.00 0.00 C ATOM 808 CG TYR A 52 4.193 2.917 7.145 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.539 3.259 7.035 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.340 3.821 7.765 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.012 4.459 7.528 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.809 5.022 8.261 1.00 0.00 C ATOM 813 CZ TYR A 52 5.145 5.337 8.140 1.00 0.00 C ATOM 814 OH TYR A 52 5.615 6.535 8.628 1.00 0.00 O ATOM 0 H TYR A 52 5.674 1.096 5.140 1.00 0.00 H new ATOM 0 HA TYR A 52 4.895 0.322 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.472 1.717 5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.706 1.389 7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.224 2.574 6.556 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.291 3.581 7.861 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.059 4.708 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.131 5.712 8.742 1.00 0.00 H new ATOM 0 HH TYR A 52 4.875 7.038 9.028 1.00 0.00 H new ATOM 824 N ILE A 53 4.362 -1.606 5.432 1.00 0.00 N ATOM 825 CA ILE A 53 3.733 -2.861 5.039 1.00 0.00 C ATOM 826 C ILE A 53 4.740 -3.905 4.578 1.00 0.00 C ATOM 827 O ILE A 53 5.884 -3.599 4.240 1.00 0.00 O ATOM 828 CB ILE A 53 2.672 -2.611 3.906 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.879 -3.515 2.673 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.636 -1.142 3.470 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.968 -3.043 1.734 1.00 0.00 C ATOM 0 H ILE A 53 5.188 -1.349 4.891 1.00 0.00 H new ATOM 0 HA ILE A 53 3.240 -3.255 5.928 1.00 0.00 H new ATOM 0 HB ILE A 53 1.711 -2.872 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.118 -4.523 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.941 -3.578 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.890 -1.013 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.377 -0.515 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.615 -0.851 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.049 -3.733 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.723 -2.048 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.918 -3.007 2.267 1.00 0.00 H new ATOM 843 N GLU A 54 4.258 -5.145 4.533 1.00 0.00 N ATOM 844 CA GLU A 54 5.002 -6.309 4.090 1.00 0.00 C ATOM 845 C GLU A 54 4.027 -7.278 3.427 1.00 0.00 C ATOM 846 O GLU A 54 2.845 -7.287 3.766 1.00 0.00 O ATOM 847 CB GLU A 54 5.678 -7.050 5.261 1.00 0.00 C ATOM 848 CG GLU A 54 5.921 -6.209 6.509 1.00 0.00 C ATOM 849 CD GLU A 54 5.134 -6.706 7.708 1.00 0.00 C ATOM 850 OE1 GLU A 54 5.266 -7.900 8.052 1.00 0.00 O ATOM 851 OE2 GLU A 54 4.387 -5.901 8.303 1.00 0.00 O ATOM 0 H GLU A 54 3.304 -5.369 4.815 1.00 0.00 H new ATOM 0 HA GLU A 54 5.778 -5.968 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.060 -7.905 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.634 -7.444 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.985 -6.218 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.649 -5.174 6.304 1.00 0.00 H new ATOM 858 N MET A 55 4.515 -8.135 2.551 1.00 0.00 N ATOM 859 CA MET A 55 3.641 -9.104 1.898 1.00 0.00 C ATOM 860 C MET A 55 3.116 -10.139 2.888 1.00 0.00 C ATOM 861 O MET A 55 3.898 -10.839 3.529 1.00 0.00 O ATOM 862 CB MET A 55 4.369 -9.806 0.754 1.00 0.00 C ATOM 863 CG MET A 55 3.424 -10.397 -0.279 1.00 0.00 C ATOM 864 SD MET A 55 4.198 -11.671 -1.292 1.00 0.00 S ATOM 865 CE MET A 55 3.427 -13.144 -0.625 1.00 0.00 C ATOM 0 H MET A 55 5.496 -8.185 2.275 1.00 0.00 H new ATOM 0 HA MET A 55 2.791 -8.553 1.495 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.035 -9.095 0.264 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.995 -10.600 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.558 -10.821 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.056 -9.600 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.804 -14.022 -1.150 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.661 -13.228 0.436 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.347 -13.080 -0.755 1.00 0.00 H new ATOM 875 N LYS A 56 1.779 -10.248 2.969 1.00 0.00 N ATOM 876 CA LYS A 56 1.086 -11.203 3.829 1.00 0.00 C ATOM 877 C LYS A 56 -0.188 -10.557 4.327 1.00 0.00 C ATOM 878 O LYS A 56 -0.527 -10.627 5.509 1.00 0.00 O ATOM 879 CB LYS A 56 1.941 -11.691 4.998 1.00 0.00 C ATOM 880 CG LYS A 56 1.235 -12.684 5.893 1.00 0.00 C ATOM 881 CD LYS A 56 2.194 -13.766 6.355 1.00 0.00 C ATOM 882 CE LYS A 56 1.640 -14.546 7.534 1.00 0.00 C ATOM 883 NZ LYS A 56 2.694 -14.845 8.542 1.00 0.00 N ATOM 0 H LYS A 56 1.145 -9.662 2.426 1.00 0.00 H new ATOM 0 HA LYS A 56 0.862 -12.092 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.849 -12.150 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.249 -10.832 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.817 -12.169 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.401 -13.136 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.396 -14.449 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.146 -13.313 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.839 -13.975 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.201 -15.478 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.278 -15.378 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.446 -15.411 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.095 -13.955 8.899 1.00 0.00 H new ATOM 897 N ASN A 57 -0.896 -9.933 3.398 1.00 0.00 N ATOM 898 CA ASN A 57 -2.146 -9.273 3.690 1.00 0.00 C ATOM 899 C ASN A 57 -3.151 -10.239 4.278 1.00 0.00 C ATOM 900 O ASN A 57 -3.407 -11.310 3.730 1.00 0.00 O ATOM 901 CB ASN A 57 -2.736 -8.718 2.414 1.00 0.00 C ATOM 902 CG ASN A 57 -2.960 -9.803 1.389 1.00 0.00 C ATOM 903 OD1 ASN A 57 -2.064 -10.599 1.109 1.00 0.00 O ATOM 904 ND2 ASN A 57 -4.161 -9.843 0.822 1.00 0.00 N ATOM 0 H ASN A 57 -0.614 -9.874 2.420 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.940 -8.479 4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.682 -8.224 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.069 -7.960 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.371 -10.555 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.873 -9.162 1.086 1.00 0.00 H new ATOM 911 N HIS A 58 -3.660 -9.869 5.430 1.00 0.00 N ATOM 912 CA HIS A 58 -4.615 -10.704 6.143 1.00 0.00 C ATOM 913 C HIS A 58 -5.969 -9.998 6.306 1.00 0.00 C ATOM 914 O HIS A 58 -6.499 -9.447 5.343 1.00 0.00 O ATOM 915 CB HIS A 58 -4.038 -11.154 7.490 1.00 0.00 C ATOM 916 CG HIS A 58 -4.552 -12.482 7.963 1.00 0.00 C ATOM 917 ND1 HIS A 58 -5.894 -12.768 8.126 1.00 0.00 N ATOM 918 CD2 HIS A 58 -3.888 -13.609 8.315 1.00 0.00 C ATOM 919 CE1 HIS A 58 -6.029 -14.007 8.562 1.00 0.00 C ATOM 920 NE2 HIS A 58 -4.829 -14.539 8.683 1.00 0.00 N ATOM 0 H HIS A 58 -3.431 -8.993 5.900 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.797 -11.597 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.952 -11.204 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.267 -10.399 8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.817 -13.750 8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.964 -14.501 8.782 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.631 -15.488 8.999 1.00 0.00 H new ATOM 929 N ASP A 59 -6.538 -10.024 7.514 1.00 0.00 N ATOM 930 CA ASP A 59 -7.831 -9.399 7.764 1.00 0.00 C ATOM 931 C ASP A 59 -7.743 -8.390 8.905 1.00 0.00 C ATOM 932 O ASP A 59 -6.999 -8.654 9.872 1.00 0.00 O ATOM 933 CB ASP A 59 -8.865 -10.476 8.095 1.00 0.00 C ATOM 934 CG ASP A 59 -10.262 -10.103 7.640 1.00 0.00 C ATOM 935 OD1 ASP A 59 -10.747 -9.024 8.037 1.00 0.00 O ATOM 936 OD2 ASP A 59 -10.871 -10.893 6.889 1.00 0.00 O ATOM 937 OXT ASP A 59 -8.424 -7.346 8.823 1.00 0.00 O ATOM 0 H ASP A 59 -6.121 -10.471 8.330 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.136 -8.864 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.571 -11.414 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.872 -10.649 9.171 1.00 0.00 H new TER 942 ASP A 59