USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 417 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 64:sc= 0.386 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.872 (180deg=-0.00949) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.087 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000127 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0149 (180deg=-0.201) USER MOD Single : A 32 GLN : amide:sc=-0.00595 K(o=-0.006,f=-1.3) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.002) USER MOD Single : A 37 ASN : amide:sc= -1.39 K(o=-1.4,f=-6.5!) USER MOD Single : A 44 THR OG1 : rot 0:sc= 1.09 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 171:sc= -0.198 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.738 -0.537 -18.802 1.00 3.32 N ATOM 2 CA MET A 1 -11.568 -1.534 -18.136 1.00 74.22 C ATOM 3 C MET A 1 -11.201 -2.941 -18.593 1.00 73.40 C ATOM 4 O MET A 1 -10.528 -3.119 -19.609 1.00 50.13 O ATOM 5 CB MET A 1 -13.048 -1.263 -18.414 1.00 32.55 C ATOM 6 CG MET A 1 -13.414 -1.345 -19.888 1.00 15.35 C ATOM 7 SD MET A 1 -13.251 0.238 -20.732 1.00 21.01 S ATOM 8 CE MET A 1 -14.830 0.991 -20.351 1.00 55.34 C ATOM 0 H1 MET A 1 -10.363 0.130 -18.097 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.948 -1.010 -19.285 1.00 3.32 H new ATOM 0 H3 MET A 1 -11.310 -0.019 -19.499 1.00 3.32 H new ATOM 0 HA MET A 1 -11.388 -1.463 -17.063 1.00 74.22 H new ATOM 0 HB2 MET A 1 -13.651 -1.980 -17.858 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.304 -0.272 -18.039 1.00 32.55 H new ATOM 0 HG2 MET A 1 -12.775 -2.080 -20.377 1.00 15.35 H new ATOM 0 HG3 MET A 1 -14.440 -1.700 -19.984 1.00 15.35 H new ATOM 0 HE1 MET A 1 -14.881 1.980 -20.806 1.00 55.34 H new ATOM 0 HE2 MET A 1 -15.634 0.369 -20.744 1.00 55.34 H new ATOM 0 HE3 MET A 1 -14.938 1.083 -19.270 1.00 55.34 H new ATOM 18 N THR A 2 -11.648 -3.940 -17.839 1.00 10.15 N ATOM 19 CA THR A 2 -11.364 -5.331 -18.166 1.00 20.41 C ATOM 20 C THR A 2 -12.455 -5.920 -19.054 1.00 2.24 C ATOM 21 O THR A 2 -13.636 -5.885 -18.709 1.00 31.53 O ATOM 22 CB THR A 2 -11.233 -6.193 -16.895 1.00 61.45 C ATOM 23 OG1 THR A 2 -10.228 -5.644 -16.034 1.00 34.53 O ATOM 24 CG2 THR A 2 -10.876 -7.628 -17.249 1.00 12.34 C ATOM 0 H THR A 2 -12.209 -3.811 -16.997 1.00 10.15 H new ATOM 0 HA THR A 2 -10.415 -5.342 -18.703 1.00 20.41 H new ATOM 0 HB THR A 2 -12.194 -6.192 -16.380 1.00 61.45 H new ATOM 0 HG1 THR A 2 -10.151 -6.196 -15.228 1.00 34.53 H new ATOM 0 HG21 THR A 2 -10.789 -8.217 -16.336 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.656 -8.052 -17.881 1.00 12.34 H new ATOM 0 HG23 THR A 2 -9.926 -7.645 -17.784 1.00 12.34 H new ATOM 32 N PHE A 3 -12.052 -6.461 -20.198 1.00 71.13 N ATOM 33 CA PHE A 3 -12.997 -7.058 -21.136 1.00 5.34 C ATOM 34 C PHE A 3 -12.636 -8.513 -21.419 1.00 31.35 C ATOM 35 O PHE A 3 -11.482 -8.919 -21.275 1.00 14.10 O ATOM 36 CB PHE A 3 -13.021 -6.263 -22.443 1.00 13.42 C ATOM 37 CG PHE A 3 -13.916 -5.058 -22.395 1.00 61.41 C ATOM 38 CD1 PHE A 3 -15.246 -5.181 -22.032 1.00 3.30 C ATOM 39 CD2 PHE A 3 -13.425 -3.802 -22.713 1.00 14.50 C ATOM 40 CE1 PHE A 3 -16.072 -4.074 -21.987 1.00 51.03 C ATOM 41 CE2 PHE A 3 -14.246 -2.691 -22.669 1.00 61.42 C ATOM 42 CZ PHE A 3 -15.572 -2.828 -22.307 1.00 53.44 C ATOM 0 H PHE A 3 -11.078 -6.499 -20.499 1.00 71.13 H new ATOM 0 HA PHE A 3 -13.988 -7.029 -20.683 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.007 -5.943 -22.683 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -13.349 -6.917 -23.251 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -15.643 -6.154 -21.781 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -12.389 -3.690 -22.998 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -17.108 -4.184 -21.702 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -13.851 -1.717 -22.917 1.00 61.42 H new ATOM 0 HZ PHE A 3 -16.216 -1.962 -22.274 1.00 53.44 H new ATOM 52 N LYS A 4 -13.631 -9.296 -21.822 1.00 33.24 N ATOM 53 CA LYS A 4 -13.421 -10.706 -22.127 1.00 21.53 C ATOM 54 C LYS A 4 -13.802 -11.013 -23.571 1.00 64.34 C ATOM 55 O LYS A 4 -14.612 -10.309 -24.173 1.00 12.13 O ATOM 56 CB LYS A 4 -14.240 -11.582 -21.176 1.00 53.22 C ATOM 57 CG LYS A 4 -13.686 -12.988 -21.014 1.00 22.24 C ATOM 58 CD LYS A 4 -14.437 -13.763 -19.945 1.00 3.42 C ATOM 59 CE LYS A 4 -14.150 -13.217 -18.555 1.00 15.10 C ATOM 60 NZ LYS A 4 -14.651 -14.127 -17.488 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.592 -8.977 -21.945 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.362 -10.927 -21.994 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -14.281 -11.102 -20.198 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.264 -11.644 -21.544 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -13.753 -13.518 -21.964 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -12.629 -12.936 -20.752 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -15.508 -13.713 -20.143 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -14.153 -14.815 -19.990 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -13.076 -13.074 -18.436 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -14.616 -12.238 -18.446 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -14.436 -13.720 -16.555 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -15.680 -14.244 -17.586 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -14.187 -15.054 -17.576 1.00 54.24 H new ATOM 74 N ALA A 5 -13.213 -12.070 -24.123 1.00 23.53 N ATOM 75 CA ALA A 5 -13.493 -12.472 -25.495 1.00 20.41 C ATOM 76 C ALA A 5 -13.671 -13.982 -25.600 1.00 72.24 C ATOM 77 O ALA A 5 -12.764 -14.747 -25.268 1.00 53.44 O ATOM 78 CB ALA A 5 -12.379 -12.004 -26.420 1.00 73.13 C ATOM 0 H ALA A 5 -12.539 -12.663 -23.640 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.427 -12.001 -25.802 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.601 -12.311 -27.442 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.302 -10.918 -26.376 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.434 -12.447 -26.105 1.00 73.13 H new ATOM 84 N ILE A 6 -14.843 -14.406 -26.061 1.00 43.32 N ATOM 85 CA ILE A 6 -15.138 -15.826 -26.209 1.00 34.32 C ATOM 86 C ILE A 6 -15.332 -16.197 -27.675 1.00 75.13 C ATOM 87 O ILE A 6 -16.001 -15.483 -28.423 1.00 43.54 O ATOM 88 CB ILE A 6 -16.398 -16.224 -25.418 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.563 -17.745 -25.413 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.628 -15.554 -26.010 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.629 -18.451 -24.455 1.00 10.23 C ATOM 0 H ILE A 6 -15.604 -13.786 -26.339 1.00 43.32 H new ATOM 0 HA ILE A 6 -14.282 -16.370 -25.810 1.00 34.32 H new ATOM 0 HB ILE A 6 -16.285 -15.886 -24.388 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.592 -17.990 -25.151 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.392 -18.124 -26.420 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.511 -15.845 -25.440 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.509 -14.471 -25.967 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.748 -15.865 -27.048 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.802 -19.526 -24.504 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.596 -18.236 -24.729 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.815 -18.100 -23.440 1.00 10.23 H new ATOM 103 N ILE A 7 -14.745 -17.318 -28.079 1.00 61.12 N ATOM 104 CA ILE A 7 -14.857 -17.786 -29.455 1.00 70.24 C ATOM 105 C ILE A 7 -15.622 -19.103 -29.527 1.00 73.23 C ATOM 106 O ILE A 7 -15.426 -19.992 -28.700 1.00 74.32 O ATOM 107 CB ILE A 7 -13.471 -17.975 -30.100 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.656 -16.684 -29.995 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.617 -18.399 -31.554 1.00 55.12 C ATOM 110 CD1 ILE A 7 -11.233 -16.826 -30.486 1.00 21.24 C ATOM 0 H ILE A 7 -14.187 -17.919 -27.473 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.404 -17.020 -30.005 1.00 70.24 H new ATOM 0 HB ILE A 7 -12.941 -18.762 -29.564 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -13.153 -15.902 -30.569 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -12.642 -16.356 -28.956 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.629 -18.529 -31.996 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.164 -19.340 -31.605 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -14.163 -17.632 -32.104 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -10.715 -15.872 -30.382 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -10.719 -17.585 -29.896 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -11.238 -17.123 -31.535 1.00 21.24 H new ATOM 122 N ASN A 8 -16.493 -19.221 -30.524 1.00 44.31 N ATOM 123 CA ASN A 8 -17.288 -20.431 -30.706 1.00 54.12 C ATOM 124 C ASN A 8 -16.798 -21.226 -31.913 1.00 3.45 C ATOM 125 O ASN A 8 -17.420 -21.209 -32.974 1.00 74.11 O ATOM 126 CB ASN A 8 -18.766 -20.073 -30.881 1.00 64.50 C ATOM 127 CG ASN A 8 -19.327 -19.331 -29.684 1.00 13.51 C ATOM 128 OD1 ASN A 8 -19.615 -18.137 -29.760 1.00 51.34 O ATOM 129 ND2 ASN A 8 -19.484 -20.037 -28.571 1.00 52.55 N ATOM 0 H ASN A 8 -16.666 -18.494 -31.218 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.174 -21.049 -29.816 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -18.885 -19.459 -31.774 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.341 -20.985 -31.042 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -19.857 -19.591 -27.733 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -19.232 -21.025 -28.554 1.00 52.55 H new ATOM 136 N GLY A 9 -15.680 -21.923 -31.741 1.00 64.02 N ATOM 137 CA GLY A 9 -15.125 -22.715 -32.823 1.00 71.24 C ATOM 138 C GLY A 9 -16.040 -23.851 -33.236 1.00 4.45 C ATOM 139 O GLY A 9 -17.170 -23.954 -32.759 1.00 51.23 O ATOM 0 H GLY A 9 -15.148 -21.954 -30.871 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -14.939 -22.071 -33.683 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -14.162 -23.122 -32.515 1.00 71.24 H new ATOM 143 N LYS A 10 -15.551 -24.708 -34.127 1.00 61.35 N ATOM 144 CA LYS A 10 -16.332 -25.843 -34.606 1.00 63.23 C ATOM 145 C LYS A 10 -16.047 -27.089 -33.773 1.00 15.24 C ATOM 146 O LYS A 10 -16.966 -27.799 -33.363 1.00 72.44 O ATOM 147 CB LYS A 10 -16.020 -26.118 -36.078 1.00 21.11 C ATOM 148 CG LYS A 10 -16.274 -24.927 -36.987 1.00 0.45 C ATOM 149 CD LYS A 10 -17.762 -24.689 -37.190 1.00 62.51 C ATOM 150 CE LYS A 10 -18.408 -25.826 -37.967 1.00 31.44 C ATOM 151 NZ LYS A 10 -19.770 -25.464 -38.447 1.00 14.44 N1+ ATOM 0 H LYS A 10 -14.617 -24.638 -34.532 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.388 -25.594 -34.506 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -14.976 -26.418 -36.169 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -16.624 -26.959 -36.418 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -15.817 -24.036 -36.557 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -15.796 -25.096 -37.952 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -18.250 -24.586 -36.221 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -17.912 -23.751 -37.724 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -17.780 -26.087 -38.819 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -18.469 -26.711 -37.333 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -20.177 -26.264 -38.972 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -20.377 -25.239 -37.633 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -19.709 -24.635 -39.072 1.00 14.44 H new ATOM 165 N THR A 11 -14.767 -27.350 -33.526 1.00 75.42 N ATOM 166 CA THR A 11 -14.361 -28.509 -32.742 1.00 45.15 C ATOM 167 C THR A 11 -13.529 -28.093 -31.535 1.00 43.34 C ATOM 168 O THR A 11 -13.730 -28.594 -30.427 1.00 53.01 O ATOM 169 CB THR A 11 -13.549 -29.505 -33.592 1.00 51.20 C ATOM 170 OG1 THR A 11 -12.530 -28.811 -34.319 1.00 61.24 O ATOM 171 CG2 THR A 11 -14.452 -30.252 -34.562 1.00 64.34 C ATOM 0 H THR A 11 -13.994 -26.774 -33.858 1.00 75.42 H new ATOM 0 HA THR A 11 -15.275 -28.995 -32.400 1.00 45.15 H new ATOM 0 HB THR A 11 -13.087 -30.229 -32.921 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.017 -29.451 -34.855 1.00 61.24 H new ATOM 0 HG21 THR A 11 -13.856 -30.949 -35.151 1.00 64.34 H new ATOM 0 HG22 THR A 11 -15.209 -30.803 -34.004 1.00 64.34 H new ATOM 0 HG23 THR A 11 -14.939 -29.540 -35.227 1.00 64.34 H new ATOM 179 N LEU A 12 -12.595 -27.174 -31.754 1.00 14.20 N ATOM 180 CA LEU A 12 -11.733 -26.689 -30.682 1.00 71.25 C ATOM 181 C LEU A 12 -12.206 -25.332 -30.174 1.00 11.25 C ATOM 182 O LEU A 12 -12.082 -24.320 -30.864 1.00 31.51 O ATOM 183 CB LEU A 12 -10.287 -26.587 -31.171 1.00 3.23 C ATOM 184 CG LEU A 12 -9.404 -27.808 -30.913 1.00 35.12 C ATOM 185 CD1 LEU A 12 -9.286 -28.076 -29.420 1.00 11.42 C ATOM 186 CD2 LEU A 12 -9.956 -29.029 -31.634 1.00 24.33 C ATOM 0 H LEU A 12 -12.415 -26.750 -32.664 1.00 14.20 H new ATOM 0 HA LEU A 12 -11.783 -27.402 -29.859 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -10.300 -26.393 -32.244 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -9.824 -25.722 -30.696 1.00 3.23 H new ATOM 0 HG LEU A 12 -8.408 -27.600 -31.304 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -8.654 -28.949 -29.256 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -8.843 -27.210 -28.929 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -10.276 -28.262 -29.004 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -9.314 -29.888 -31.438 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -10.963 -29.239 -31.275 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -9.986 -28.835 -32.706 1.00 24.33 H new ATOM 198 N LYS A 13 -12.749 -25.316 -28.961 1.00 74.53 N ATOM 199 CA LYS A 13 -13.238 -24.083 -28.357 1.00 63.41 C ATOM 200 C LYS A 13 -12.140 -23.398 -27.549 1.00 51.50 C ATOM 201 O LYS A 13 -11.399 -24.051 -26.815 1.00 41.22 O ATOM 202 CB LYS A 13 -14.442 -24.374 -27.457 1.00 61.25 C ATOM 203 CG LYS A 13 -14.979 -23.146 -26.743 1.00 35.23 C ATOM 204 CD LYS A 13 -14.808 -23.256 -25.238 1.00 31.02 C ATOM 205 CE LYS A 13 -14.581 -21.893 -24.601 1.00 52.41 C ATOM 206 NZ LYS A 13 -13.408 -21.898 -23.684 1.00 2.51 N1+ ATOM 0 H LYS A 13 -12.861 -26.144 -28.377 1.00 74.53 H new ATOM 0 HA LYS A 13 -13.545 -23.413 -29.160 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -15.238 -24.811 -28.060 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -14.158 -25.120 -26.715 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -14.461 -22.258 -27.105 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -16.035 -23.018 -26.982 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -15.694 -23.719 -24.803 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -13.964 -23.909 -25.013 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -14.428 -21.148 -25.382 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -15.473 -21.597 -24.048 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -13.396 -21.017 -23.131 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -13.475 -22.711 -23.038 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -12.532 -21.970 -24.241 1.00 2.51 H new ATOM 220 N GLY A 14 -12.043 -22.079 -27.689 1.00 72.31 N ATOM 221 CA GLY A 14 -11.033 -21.330 -26.965 1.00 53.44 C ATOM 222 C GLY A 14 -11.600 -20.098 -26.288 1.00 32.23 C ATOM 223 O GLY A 14 -12.799 -19.831 -26.374 1.00 62.11 O ATOM 0 H GLY A 14 -12.645 -21.517 -28.290 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -10.575 -21.975 -26.215 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.243 -21.031 -27.654 1.00 53.44 H new ATOM 227 N GLU A 15 -10.737 -19.346 -25.612 1.00 72.40 N ATOM 228 CA GLU A 15 -11.161 -18.137 -24.916 1.00 14.51 C ATOM 229 C GLU A 15 -9.960 -17.264 -24.560 1.00 2.11 C ATOM 230 O GLU A 15 -8.871 -17.769 -24.283 1.00 50.33 O ATOM 231 CB GLU A 15 -11.936 -18.497 -23.647 1.00 41.21 C ATOM 232 CG GLU A 15 -11.112 -19.267 -22.628 1.00 33.00 C ATOM 233 CD GLU A 15 -10.287 -18.358 -21.738 1.00 5.33 C ATOM 234 OE1 GLU A 15 -9.063 -18.580 -21.637 1.00 42.21 O ATOM 235 OE2 GLU A 15 -10.865 -17.424 -21.144 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.741 -19.552 -25.532 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.813 -17.574 -25.584 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -12.306 -17.582 -23.185 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -12.808 -19.091 -23.920 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -11.777 -19.869 -22.009 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -10.449 -19.958 -23.149 1.00 33.00 H new ATOM 242 N THR A 16 -10.166 -15.951 -24.572 1.00 64.02 N ATOM 243 CA THR A 16 -9.102 -15.008 -24.253 1.00 12.05 C ATOM 244 C THR A 16 -9.664 -13.731 -23.640 1.00 42.21 C ATOM 245 O THR A 16 -10.861 -13.457 -23.737 1.00 10.11 O ATOM 246 CB THR A 16 -8.279 -14.645 -25.504 1.00 72.14 C ATOM 247 OG1 THR A 16 -7.126 -13.885 -25.128 1.00 21.02 O ATOM 248 CG2 THR A 16 -9.118 -13.848 -26.490 1.00 32.22 C ATOM 0 H THR A 16 -11.060 -15.517 -24.799 1.00 64.02 H new ATOM 0 HA THR A 16 -8.452 -15.499 -23.529 1.00 12.05 H new ATOM 0 HB THR A 16 -7.962 -15.570 -25.985 1.00 72.14 H new ATOM 0 HG1 THR A 16 -6.607 -13.660 -25.928 1.00 21.02 H new ATOM 0 HG21 THR A 16 -8.516 -13.603 -27.365 1.00 32.22 H new ATOM 0 HG22 THR A 16 -9.980 -14.441 -26.797 1.00 32.22 H new ATOM 0 HG23 THR A 16 -9.460 -12.928 -26.016 1.00 32.22 H new ATOM 256 N THR A 17 -8.794 -12.949 -23.008 1.00 12.33 N ATOM 257 CA THR A 17 -9.204 -11.701 -22.378 1.00 4.32 C ATOM 258 C THR A 17 -8.570 -10.501 -23.073 1.00 2.10 C ATOM 259 O THR A 17 -7.540 -10.627 -23.737 1.00 50.51 O ATOM 260 CB THR A 17 -8.826 -11.674 -20.886 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.589 -12.364 -20.680 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.917 -12.314 -20.040 1.00 52.12 C ATOM 0 H THR A 17 -7.800 -13.159 -22.919 1.00 12.33 H new ATOM 0 HA THR A 17 -10.288 -11.641 -22.471 1.00 4.32 H new ATOM 0 HB THR A 17 -8.715 -10.633 -20.581 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.356 -12.340 -19.728 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.628 -12.283 -18.990 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.850 -11.767 -20.176 1.00 52.12 H new ATOM 0 HG23 THR A 17 -10.056 -13.350 -20.348 1.00 52.12 H new ATOM 270 N THR A 18 -9.190 -9.336 -22.915 1.00 22.31 N ATOM 271 CA THR A 18 -8.686 -8.113 -23.527 1.00 2.54 C ATOM 272 C THR A 18 -8.814 -6.928 -22.575 1.00 23.33 C ATOM 273 O THR A 18 -9.839 -6.759 -21.917 1.00 54.25 O ATOM 274 CB THR A 18 -9.433 -7.790 -24.834 1.00 23.14 C ATOM 275 OG1 THR A 18 -9.859 -9.002 -25.467 1.00 34.30 O ATOM 276 CG2 THR A 18 -8.545 -7.000 -25.784 1.00 44.33 C ATOM 0 H THR A 18 -10.042 -9.214 -22.368 1.00 22.31 H new ATOM 0 HA THR A 18 -7.633 -8.283 -23.752 1.00 2.54 H new ATOM 0 HB THR A 18 -10.305 -7.183 -24.588 1.00 23.14 H new ATOM 0 HG1 THR A 18 -10.335 -8.788 -26.297 1.00 34.30 H new ATOM 0 HG21 THR A 18 -9.094 -6.784 -26.700 1.00 44.33 H new ATOM 0 HG22 THR A 18 -8.247 -6.065 -25.310 1.00 44.33 H new ATOM 0 HG23 THR A 18 -7.657 -7.585 -26.023 1.00 44.33 H new ATOM 284 N GLU A 19 -7.767 -6.112 -22.509 1.00 43.54 N ATOM 285 CA GLU A 19 -7.764 -4.943 -21.637 1.00 43.13 C ATOM 286 C GLU A 19 -7.356 -3.690 -22.409 1.00 53.51 C ATOM 287 O GLU A 19 -6.215 -3.566 -22.849 1.00 62.32 O ATOM 288 CB GLU A 19 -6.815 -5.161 -20.458 1.00 75.33 C ATOM 289 CG GLU A 19 -6.814 -4.018 -19.458 1.00 64.13 C ATOM 290 CD GLU A 19 -6.168 -4.396 -18.139 1.00 55.41 C ATOM 291 OE1 GLU A 19 -6.446 -3.720 -17.127 1.00 63.52 O ATOM 292 OE2 GLU A 19 -5.384 -5.368 -18.119 1.00 10.35 O1- ATOM 0 H GLU A 19 -6.911 -6.239 -23.048 1.00 43.54 H new ATOM 0 HA GLU A 19 -8.776 -4.802 -21.257 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.093 -6.082 -19.944 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -5.803 -5.301 -20.838 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -6.285 -3.166 -19.886 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -7.840 -3.698 -19.277 1.00 64.13 H new ATOM 299 N ALA A 20 -8.298 -2.767 -22.566 1.00 42.41 N ATOM 300 CA ALA A 20 -8.037 -1.524 -23.281 1.00 61.43 C ATOM 301 C ALA A 20 -8.762 -0.352 -22.627 1.00 34.43 C ATOM 302 O ALA A 20 -9.465 -0.521 -21.630 1.00 52.30 O ATOM 303 CB ALA A 20 -8.453 -1.656 -24.738 1.00 42.42 C ATOM 0 H ALA A 20 -9.249 -2.856 -22.208 1.00 42.41 H new ATOM 0 HA ALA A 20 -6.966 -1.326 -23.236 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.252 -0.720 -25.260 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -7.887 -2.461 -25.206 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.518 -1.881 -24.793 1.00 42.42 H new ATOM 309 N VAL A 21 -8.585 0.838 -23.194 1.00 11.54 N ATOM 310 CA VAL A 21 -9.223 2.038 -22.667 1.00 64.42 C ATOM 311 C VAL A 21 -10.676 2.132 -23.117 1.00 23.33 C ATOM 312 O VAL A 21 -11.572 2.378 -22.309 1.00 70.44 O ATOM 313 CB VAL A 21 -8.477 3.311 -23.108 1.00 32.04 C ATOM 314 CG1 VAL A 21 -9.139 4.549 -22.524 1.00 72.54 C ATOM 315 CG2 VAL A 21 -7.012 3.237 -22.704 1.00 45.25 C ATOM 0 H VAL A 21 -8.005 0.996 -24.018 1.00 11.54 H new ATOM 0 HA VAL A 21 -9.187 1.963 -21.580 1.00 64.42 H new ATOM 0 HB VAL A 21 -8.527 3.382 -24.195 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -8.597 5.438 -22.847 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -10.171 4.607 -22.870 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -9.124 4.491 -21.436 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -6.500 4.145 -23.024 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -6.938 3.141 -21.621 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -6.547 2.372 -23.178 1.00 45.25 H new ATOM 325 N ASP A 22 -10.902 1.934 -24.411 1.00 42.31 N ATOM 326 CA ASP A 22 -12.248 1.994 -24.970 1.00 1.33 C ATOM 327 C ASP A 22 -12.555 0.742 -25.784 1.00 73.21 C ATOM 328 O ASP A 22 -11.649 0.001 -26.167 1.00 2.50 O ATOM 329 CB ASP A 22 -12.404 3.238 -25.845 1.00 0.34 C ATOM 330 CG ASP A 22 -12.291 4.524 -25.051 1.00 65.24 C ATOM 331 OD1 ASP A 22 -11.446 5.371 -25.408 1.00 31.54 O ATOM 332 OD2 ASP A 22 -13.050 4.684 -24.072 1.00 73.30 O1- ATOM 0 H ASP A 22 -10.171 1.731 -25.093 1.00 42.31 H new ATOM 0 HA ASP A 22 -12.956 2.050 -24.143 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -11.642 3.228 -26.624 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -13.372 3.207 -26.345 1.00 0.34 H new ATOM 337 N ALA A 23 -13.838 0.510 -26.044 1.00 3.24 N ATOM 338 CA ALA A 23 -14.263 -0.653 -26.813 1.00 54.33 C ATOM 339 C ALA A 23 -13.656 -0.638 -28.211 1.00 5.03 C ATOM 340 O ALA A 23 -13.286 -1.681 -28.748 1.00 12.02 O ATOM 341 CB ALA A 23 -15.782 -0.703 -26.895 1.00 24.43 C ATOM 0 H ALA A 23 -14.601 1.112 -25.733 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.907 -1.547 -26.301 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -16.087 -1.576 -27.472 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.199 -0.769 -25.890 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -16.150 0.200 -27.382 1.00 24.43 H new ATOM 347 N ALA A 24 -13.558 0.551 -28.797 1.00 2.42 N ATOM 348 CA ALA A 24 -12.994 0.701 -30.132 1.00 1.04 C ATOM 349 C ALA A 24 -11.528 0.281 -30.160 1.00 20.15 C ATOM 350 O ALA A 24 -11.054 -0.295 -31.139 1.00 1.23 O ATOM 351 CB ALA A 24 -13.142 2.139 -30.609 1.00 53.41 C ATOM 0 H ALA A 24 -13.862 1.425 -28.367 1.00 2.42 H new ATOM 0 HA ALA A 24 -13.545 0.047 -30.807 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -12.716 2.237 -31.608 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -14.198 2.406 -30.637 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -12.617 2.805 -29.924 1.00 53.41 H new ATOM 357 N THR A 25 -10.813 0.574 -29.078 1.00 32.45 N ATOM 358 CA THR A 25 -9.401 0.229 -28.979 1.00 64.24 C ATOM 359 C THR A 25 -9.188 -1.271 -29.148 1.00 62.03 C ATOM 360 O THR A 25 -8.192 -1.705 -29.725 1.00 44.02 O ATOM 361 CB THR A 25 -8.807 0.671 -27.628 1.00 73.41 C ATOM 362 OG1 THR A 25 -9.047 2.067 -27.421 1.00 72.11 O ATOM 363 CG2 THR A 25 -7.313 0.396 -27.577 1.00 4.30 C ATOM 0 H THR A 25 -11.189 1.050 -28.258 1.00 32.45 H new ATOM 0 HA THR A 25 -8.890 0.759 -29.783 1.00 64.24 H new ATOM 0 HB THR A 25 -9.293 0.098 -26.838 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.668 2.340 -26.559 1.00 72.11 H new ATOM 0 HG21 THR A 25 -6.917 0.717 -26.614 1.00 4.30 H new ATOM 0 HG22 THR A 25 -7.135 -0.672 -27.705 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.814 0.946 -28.375 1.00 4.30 H new ATOM 371 N ALA A 26 -10.131 -2.058 -28.641 1.00 74.02 N ATOM 372 CA ALA A 26 -10.048 -3.510 -28.739 1.00 53.15 C ATOM 373 C ALA A 26 -10.488 -3.994 -30.117 1.00 23.31 C ATOM 374 O ALA A 26 -10.059 -5.050 -30.579 1.00 2.03 O ATOM 375 CB ALA A 26 -10.893 -4.162 -27.655 1.00 11.33 C ATOM 0 H ALA A 26 -10.961 -1.715 -28.158 1.00 74.02 H new ATOM 0 HA ALA A 26 -9.007 -3.799 -28.596 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.821 -5.246 -27.741 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.531 -3.851 -26.675 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -11.933 -3.857 -27.771 1.00 11.33 H new ATOM 381 N GLU A 27 -11.346 -3.213 -30.767 1.00 4.11 N ATOM 382 CA GLU A 27 -11.844 -3.564 -32.092 1.00 11.53 C ATOM 383 C GLU A 27 -10.788 -3.295 -33.159 1.00 23.50 C ATOM 384 O GLU A 27 -10.671 -4.037 -34.135 1.00 52.42 O ATOM 385 CB GLU A 27 -13.117 -2.776 -32.408 1.00 72.31 C ATOM 386 CG GLU A 27 -14.388 -3.449 -31.916 1.00 43.22 C ATOM 387 CD GLU A 27 -15.642 -2.766 -32.424 1.00 0.43 C ATOM 388 OE1 GLU A 27 -15.559 -2.060 -33.451 1.00 23.21 O ATOM 389 OE2 GLU A 27 -16.708 -2.937 -31.794 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.710 -2.334 -30.398 1.00 4.11 H new ATOM 0 HA GLU A 27 -12.075 -4.629 -32.095 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -13.043 -1.786 -31.958 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -13.186 -2.631 -33.486 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -14.391 -4.491 -32.236 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.396 -3.451 -30.826 1.00 43.22 H new ATOM 396 N LYS A 28 -10.019 -2.229 -32.967 1.00 43.34 N ATOM 397 CA LYS A 28 -8.971 -1.860 -33.912 1.00 2.12 C ATOM 398 C LYS A 28 -7.912 -2.953 -34.002 1.00 23.24 C ATOM 399 O LYS A 28 -7.275 -3.130 -35.041 1.00 44.21 O ATOM 400 CB LYS A 28 -8.321 -0.539 -33.493 1.00 40.24 C ATOM 401 CG LYS A 28 -9.108 0.688 -33.923 1.00 74.32 C ATOM 402 CD LYS A 28 -8.253 1.944 -33.871 1.00 34.15 C ATOM 403 CE LYS A 28 -8.981 3.137 -34.469 1.00 4.23 C ATOM 404 NZ LYS A 28 -8.869 3.170 -35.953 1.00 4.24 N1+ ATOM 0 H LYS A 28 -10.102 -1.605 -32.165 1.00 43.34 H new ATOM 0 HA LYS A 28 -9.427 -1.738 -34.894 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -8.208 -0.527 -32.409 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -7.319 -0.485 -33.918 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -9.484 0.544 -34.936 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -9.976 0.810 -33.275 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -7.985 2.161 -32.837 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -7.322 1.775 -34.413 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -10.033 3.100 -34.185 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -8.571 4.058 -34.054 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -9.379 3.998 -36.321 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -7.867 3.231 -36.224 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -9.283 2.303 -36.352 1.00 4.24 H new ATOM 418 N VAL A 29 -7.728 -3.686 -32.908 1.00 21.30 N ATOM 419 CA VAL A 29 -6.747 -4.764 -32.866 1.00 25.12 C ATOM 420 C VAL A 29 -7.264 -6.006 -33.582 1.00 3.02 C ATOM 421 O VAL A 29 -6.540 -6.639 -34.351 1.00 53.33 O ATOM 422 CB VAL A 29 -6.384 -5.135 -31.415 1.00 45.21 C ATOM 423 CG1 VAL A 29 -5.364 -6.264 -31.392 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.860 -3.917 -30.670 1.00 72.10 C ATOM 0 H VAL A 29 -8.246 -3.553 -32.039 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.854 -4.400 -33.375 1.00 25.12 H new ATOM 0 HB VAL A 29 -7.286 -5.482 -30.910 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -5.120 -6.513 -30.359 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -5.781 -7.141 -31.887 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -4.460 -5.948 -31.913 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -5.608 -4.197 -29.647 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -4.970 -3.539 -31.172 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -6.626 -3.142 -30.656 1.00 72.10 H new ATOM 434 N PHE A 30 -8.522 -6.350 -33.325 1.00 64.42 N ATOM 435 CA PHE A 30 -9.137 -7.517 -33.947 1.00 35.02 C ATOM 436 C PHE A 30 -9.006 -7.458 -35.466 1.00 62.14 C ATOM 437 O PHE A 30 -8.951 -8.489 -36.136 1.00 3.15 O ATOM 438 CB PHE A 30 -10.613 -7.612 -33.553 1.00 12.44 C ATOM 439 CG PHE A 30 -10.839 -8.283 -32.229 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.470 -7.610 -31.195 1.00 52.04 C ATOM 441 CD2 PHE A 30 -10.421 -9.587 -32.018 1.00 11.01 C ATOM 442 CE1 PHE A 30 -11.680 -8.224 -29.975 1.00 11.44 C ATOM 443 CE2 PHE A 30 -10.628 -10.206 -30.800 1.00 32.40 C ATOM 444 CZ PHE A 30 -11.257 -9.524 -29.777 1.00 5.33 C ATOM 0 H PHE A 30 -9.135 -5.838 -32.691 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.615 -8.405 -33.591 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -11.037 -6.608 -33.519 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -11.152 -8.160 -34.326 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -11.802 -6.593 -31.344 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -9.928 -10.125 -32.814 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -12.174 -7.688 -29.178 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -10.298 -11.223 -30.648 1.00 32.40 H new ATOM 0 HZ PHE A 30 -11.418 -10.006 -28.824 1.00 5.33 H new ATOM 454 N LYS A 31 -8.957 -6.244 -36.002 1.00 13.35 N ATOM 455 CA LYS A 31 -8.832 -6.048 -37.442 1.00 22.03 C ATOM 456 C LYS A 31 -7.626 -6.803 -37.991 1.00 4.01 C ATOM 457 O LYS A 31 -7.699 -7.414 -39.057 1.00 74.12 O ATOM 458 CB LYS A 31 -8.704 -4.557 -37.765 1.00 52.34 C ATOM 459 CG LYS A 31 -9.778 -3.700 -37.117 1.00 74.40 C ATOM 460 CD LYS A 31 -10.031 -2.430 -37.911 1.00 13.51 C ATOM 461 CE LYS A 31 -11.341 -1.770 -37.504 1.00 21.40 C ATOM 462 NZ LYS A 31 -12.521 -2.550 -37.968 1.00 50.35 N1+ ATOM 0 H LYS A 31 -9.002 -5.380 -35.461 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.731 -6.441 -37.917 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -7.725 -4.206 -37.439 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -8.747 -4.423 -38.846 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -10.703 -4.272 -37.038 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -9.476 -3.442 -36.102 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -9.208 -1.733 -37.756 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -10.055 -2.664 -38.975 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -11.376 -1.669 -36.419 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -11.385 -0.763 -37.919 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -13.372 -1.954 -37.919 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -12.370 -2.857 -38.950 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -12.647 -3.384 -37.360 1.00 50.35 H new ATOM 476 N GLN A 32 -6.520 -6.757 -37.255 1.00 12.22 N ATOM 477 CA GLN A 32 -5.299 -7.438 -37.670 1.00 64.31 C ATOM 478 C GLN A 32 -5.378 -8.931 -37.365 1.00 73.14 C ATOM 479 O GLN A 32 -4.769 -9.748 -38.055 1.00 72.14 O ATOM 480 CB GLN A 32 -4.085 -6.826 -36.969 1.00 31.11 C ATOM 481 CG GLN A 32 -2.759 -7.413 -37.427 1.00 43.12 C ATOM 482 CD GLN A 32 -1.567 -6.638 -36.900 1.00 30.42 C ATOM 483 OE1 GLN A 32 -1.708 -5.520 -36.404 1.00 41.20 O ATOM 484 NE2 GLN A 32 -0.383 -7.231 -37.004 1.00 61.01 N ATOM 0 H GLN A 32 -6.444 -6.256 -36.370 1.00 12.22 H new ATOM 0 HA GLN A 32 -5.190 -7.311 -38.747 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -4.077 -5.750 -37.146 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -4.185 -6.971 -35.893 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -2.690 -8.449 -37.095 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -2.728 -7.425 -38.516 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -0.312 -8.159 -37.422 1.00 61.01 H new ATOM 0 HE22 GLN A 32 0.455 -6.759 -36.666 1.00 61.01 H new ATOM 493 N TYR A 33 -6.130 -9.279 -36.328 1.00 0.51 N ATOM 494 CA TYR A 33 -6.287 -10.672 -35.929 1.00 64.52 C ATOM 495 C TYR A 33 -6.883 -11.499 -37.064 1.00 3.34 C ATOM 496 O TYR A 33 -6.659 -12.707 -37.151 1.00 3.14 O ATOM 497 CB TYR A 33 -7.175 -10.773 -34.688 1.00 74.12 C ATOM 498 CG TYR A 33 -6.413 -10.661 -33.387 1.00 2.13 C ATOM 499 CD1 TYR A 33 -6.682 -11.517 -32.326 1.00 44.13 C ATOM 500 CD2 TYR A 33 -5.425 -9.699 -33.219 1.00 14.23 C ATOM 501 CE1 TYR A 33 -5.988 -11.418 -31.135 1.00 22.11 C ATOM 502 CE2 TYR A 33 -4.725 -9.593 -32.032 1.00 11.55 C ATOM 503 CZ TYR A 33 -5.011 -10.455 -30.993 1.00 40.41 C ATOM 504 OH TYR A 33 -4.317 -10.352 -29.809 1.00 2.51 O ATOM 0 H TYR A 33 -6.641 -8.614 -35.747 1.00 0.51 H new ATOM 0 HA TYR A 33 -5.300 -11.069 -35.693 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -7.929 -9.987 -34.726 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -7.706 -11.725 -34.708 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -7.446 -12.272 -32.434 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -5.200 -9.022 -34.030 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -6.210 -12.091 -30.320 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -3.959 -8.840 -31.918 1.00 11.55 H new ATOM 0 HH TYR A 33 -3.664 -9.624 -29.875 1.00 2.51 H new ATOM 514 N PHE A 34 -7.644 -10.840 -37.932 1.00 1.24 N ATOM 515 CA PHE A 34 -8.274 -11.513 -39.062 1.00 71.25 C ATOM 516 C PHE A 34 -7.240 -12.278 -39.883 1.00 75.23 C ATOM 517 O PHE A 34 -7.524 -13.354 -40.408 1.00 24.13 O ATOM 518 CB PHE A 34 -8.996 -10.498 -39.949 1.00 45.01 C ATOM 519 CG PHE A 34 -10.387 -10.175 -39.480 1.00 40.33 C ATOM 520 CD1 PHE A 34 -10.767 -8.863 -39.247 1.00 50.01 C ATOM 521 CD2 PHE A 34 -11.313 -11.184 -39.273 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.046 -8.563 -38.817 1.00 32.33 C ATOM 523 CE2 PHE A 34 -12.593 -10.889 -38.843 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.959 -9.577 -38.614 1.00 24.34 C ATOM 0 H PHE A 34 -7.839 -9.841 -37.874 1.00 1.24 H new ATOM 0 HA PHE A 34 -9.001 -12.225 -38.671 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -8.411 -9.579 -39.986 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -9.045 -10.886 -40.966 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -10.056 -8.066 -39.403 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -11.032 -12.212 -39.449 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -12.330 -7.536 -38.640 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -13.307 -11.684 -38.686 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.958 -9.345 -38.277 1.00 24.34 H new ATOM 534 N ASN A 35 -6.043 -11.714 -39.990 1.00 25.20 N ATOM 535 CA ASN A 35 -4.967 -12.342 -40.749 1.00 13.22 C ATOM 536 C ASN A 35 -4.237 -13.379 -39.901 1.00 14.35 C ATOM 537 O ASN A 35 -3.888 -14.457 -40.384 1.00 32.43 O ATOM 538 CB ASN A 35 -3.979 -11.284 -41.244 1.00 15.24 C ATOM 539 CG ASN A 35 -4.479 -10.558 -42.478 1.00 53.00 C ATOM 540 OD1 ASN A 35 -3.755 -10.415 -43.463 1.00 50.44 O ATOM 541 ND2 ASN A 35 -5.723 -10.095 -42.427 1.00 2.01 N ATOM 0 H ASN A 35 -5.792 -10.823 -39.561 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.409 -12.847 -41.608 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -3.797 -10.561 -40.449 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.024 -11.759 -41.467 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -6.115 -9.597 -43.226 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -6.286 -10.237 -41.589 1.00 2.01 H new ATOM 548 N ASP A 36 -4.009 -13.046 -38.635 1.00 72.53 N ATOM 549 CA ASP A 36 -3.322 -13.949 -37.718 1.00 31.41 C ATOM 550 C ASP A 36 -4.113 -15.239 -37.531 1.00 53.41 C ATOM 551 O ASP A 36 -3.544 -16.293 -37.251 1.00 51.11 O ATOM 552 CB ASP A 36 -3.105 -13.268 -36.366 1.00 41.52 C ATOM 553 CG ASP A 36 -2.644 -14.239 -35.297 1.00 10.32 C ATOM 554 OD1 ASP A 36 -1.440 -14.232 -34.967 1.00 11.35 O ATOM 555 OD2 ASP A 36 -3.489 -15.006 -34.789 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.290 -12.157 -38.220 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.353 -14.198 -38.150 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -2.365 -12.475 -36.476 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -4.034 -12.795 -36.047 1.00 41.52 H new ATOM 560 N ASN A 37 -5.431 -15.147 -37.686 1.00 14.32 N ATOM 561 CA ASN A 37 -6.301 -16.307 -37.532 1.00 4.12 C ATOM 562 C ASN A 37 -6.660 -16.902 -38.891 1.00 70.12 C ATOM 563 O ASN A 37 -7.047 -18.066 -38.988 1.00 4.34 O ATOM 564 CB ASN A 37 -7.576 -15.919 -36.780 1.00 22.42 C ATOM 565 CG ASN A 37 -8.192 -17.092 -36.043 1.00 54.21 C ATOM 566 OD1 ASN A 37 -9.218 -17.630 -36.457 1.00 50.32 O ATOM 567 ND2 ASN A 37 -7.566 -17.494 -34.943 1.00 64.23 N ATOM 0 H ASN A 37 -5.919 -14.282 -37.918 1.00 14.32 H new ATOM 0 HA ASN A 37 -5.762 -17.060 -36.956 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -7.348 -15.126 -36.068 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -8.302 -15.515 -37.486 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -7.934 -18.279 -34.405 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -6.717 -17.018 -34.636 1.00 64.23 H new ATOM 574 N GLY A 38 -6.528 -16.093 -39.938 1.00 34.21 N ATOM 575 CA GLY A 38 -6.842 -16.557 -41.277 1.00 32.44 C ATOM 576 C GLY A 38 -8.300 -16.943 -41.430 1.00 73.32 C ATOM 577 O GLY A 38 -8.659 -17.689 -42.342 1.00 21.11 O ATOM 0 H GLY A 38 -6.210 -15.126 -39.883 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -6.599 -15.774 -41.996 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.215 -17.416 -41.517 1.00 32.44 H new ATOM 581 N LEU A 39 -9.141 -16.437 -40.536 1.00 30.05 N ATOM 582 CA LEU A 39 -10.568 -16.734 -40.573 1.00 63.52 C ATOM 583 C LEU A 39 -11.389 -15.453 -40.684 1.00 44.43 C ATOM 584 O LEU A 39 -10.885 -14.358 -40.436 1.00 45.03 O ATOM 585 CB LEU A 39 -10.981 -17.512 -39.323 1.00 73.54 C ATOM 586 CG LEU A 39 -10.772 -19.026 -39.373 1.00 71.34 C ATOM 587 CD1 LEU A 39 -11.133 -19.660 -38.039 1.00 33.32 C ATOM 588 CD2 LEU A 39 -11.592 -19.640 -40.497 1.00 1.14 C ATOM 0 H LEU A 39 -8.859 -15.818 -39.776 1.00 30.05 H new ATOM 0 HA LEU A 39 -10.763 -17.346 -41.454 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.424 -17.117 -38.473 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -12.036 -17.318 -39.131 1.00 73.54 H new ATOM 0 HG LEU A 39 -9.718 -19.221 -39.570 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -10.978 -20.737 -38.094 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -10.502 -19.242 -37.255 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -12.179 -19.455 -37.810 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -11.431 -20.718 -40.518 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -12.649 -19.434 -40.330 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -11.284 -19.209 -41.450 1.00 1.14 H new ATOM 600 N ASP A 40 -12.656 -15.598 -41.055 1.00 23.32 N ATOM 601 CA ASP A 40 -13.548 -14.454 -41.195 1.00 31.44 C ATOM 602 C ASP A 40 -14.760 -14.594 -40.278 1.00 11.13 C ATOM 603 O ASP A 40 -15.894 -14.354 -40.691 1.00 74.43 O ATOM 604 CB ASP A 40 -14.006 -14.311 -42.647 1.00 2.00 C ATOM 605 CG ASP A 40 -14.842 -15.488 -43.109 1.00 43.15 C ATOM 606 OD1 ASP A 40 -15.946 -15.257 -43.646 1.00 34.04 O ATOM 607 OD2 ASP A 40 -14.392 -16.640 -42.934 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.089 -16.498 -41.264 1.00 23.32 H new ATOM 0 HA ASP A 40 -12.997 -13.559 -40.906 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -14.585 -13.394 -42.754 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -13.133 -14.214 -43.292 1.00 2.00 H new ATOM 612 N GLY A 41 -14.511 -14.984 -39.031 1.00 53.44 N ATOM 613 CA GLY A 41 -15.591 -15.150 -38.077 1.00 32.20 C ATOM 614 C GLY A 41 -16.335 -13.856 -37.812 1.00 70.31 C ATOM 615 O GLY A 41 -15.824 -12.771 -38.087 1.00 4.21 O ATOM 0 H GLY A 41 -13.581 -15.188 -38.665 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.290 -15.897 -38.451 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.188 -15.532 -37.139 1.00 32.20 H new ATOM 619 N GLU A 42 -17.548 -13.972 -37.280 1.00 72.22 N ATOM 620 CA GLU A 42 -18.365 -12.800 -36.981 1.00 62.11 C ATOM 621 C GLU A 42 -18.299 -12.456 -35.496 1.00 0.55 C ATOM 622 O GLU A 42 -18.640 -13.275 -34.643 1.00 35.52 O ATOM 623 CB GLU A 42 -19.817 -13.046 -37.394 1.00 52.01 C ATOM 624 CG GLU A 42 -19.961 -13.661 -38.777 1.00 63.13 C ATOM 625 CD GLU A 42 -21.401 -13.992 -39.121 1.00 44.24 C ATOM 626 OE1 GLU A 42 -22.236 -13.064 -39.131 1.00 70.21 O ATOM 627 OE2 GLU A 42 -21.691 -15.179 -39.380 1.00 43.43 O1- ATOM 0 H GLU A 42 -17.986 -14.863 -37.047 1.00 72.22 H new ATOM 0 HA GLU A 42 -17.970 -11.958 -37.549 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.288 -13.703 -36.663 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.359 -12.100 -37.368 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.563 -12.971 -39.521 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -19.360 -14.569 -38.831 1.00 63.13 H new ATOM 634 N TRP A 43 -17.857 -11.240 -35.196 1.00 51.13 N ATOM 635 CA TRP A 43 -17.746 -10.785 -33.815 1.00 55.51 C ATOM 636 C TRP A 43 -19.029 -10.098 -33.363 1.00 4.43 C ATOM 637 O TRP A 43 -19.737 -9.491 -34.166 1.00 30.20 O ATOM 638 CB TRP A 43 -16.560 -9.831 -33.664 1.00 40.54 C ATOM 639 CG TRP A 43 -15.297 -10.515 -33.238 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.670 -10.400 -32.031 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.506 -11.418 -34.019 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.537 -11.177 -32.014 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.415 -11.812 -33.221 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.615 -11.934 -35.314 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.440 -12.696 -33.677 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.647 -12.810 -35.765 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.572 -13.186 -34.948 1.00 0.13 C ATOM 0 H TRP A 43 -17.569 -10.551 -35.891 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.583 -11.658 -33.183 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.388 -9.324 -34.614 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.812 -9.062 -32.934 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -15.014 -9.788 -31.210 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.891 -11.266 -31.229 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.441 -11.653 -35.950 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.609 -12.984 -33.050 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.720 -13.212 -36.765 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.833 -13.876 -35.329 1.00 0.13 H new ATOM 658 N THR A 44 -19.324 -10.197 -32.070 1.00 11.45 N ATOM 659 CA THR A 44 -20.523 -9.585 -31.511 1.00 25.43 C ATOM 660 C THR A 44 -20.307 -9.179 -30.058 1.00 41.45 C ATOM 661 O THR A 44 -19.731 -9.932 -29.272 1.00 0.05 O ATOM 662 CB THR A 44 -21.730 -10.539 -31.591 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.369 -11.829 -31.085 1.00 73.22 O ATOM 664 CG2 THR A 44 -22.222 -10.670 -33.024 1.00 21.42 C ATOM 0 H THR A 44 -18.749 -10.695 -31.391 1.00 11.45 H new ATOM 0 HA THR A 44 -20.731 -8.696 -32.107 1.00 25.43 H new ATOM 0 HB THR A 44 -22.535 -10.123 -30.984 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.433 -11.816 -30.793 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.075 -11.348 -33.055 1.00 21.42 H new ATOM 0 HG22 THR A 44 -22.524 -9.691 -33.396 1.00 21.42 H new ATOM 0 HG23 THR A 44 -21.421 -11.065 -33.649 1.00 21.42 H new ATOM 672 N TYR A 45 -20.772 -7.985 -29.707 1.00 33.31 N ATOM 673 CA TYR A 45 -20.626 -7.478 -28.348 1.00 15.32 C ATOM 674 C TYR A 45 -21.773 -7.956 -27.463 1.00 4.44 C ATOM 675 O TYR A 45 -22.945 -7.820 -27.817 1.00 1.35 O ATOM 676 CB TYR A 45 -20.576 -5.949 -28.354 1.00 33.44 C ATOM 677 CG TYR A 45 -21.874 -5.302 -28.780 1.00 21.31 C ATOM 678 CD1 TYR A 45 -22.151 -5.070 -30.121 1.00 21.15 C ATOM 679 CD2 TYR A 45 -22.825 -4.921 -27.840 1.00 22.51 C ATOM 680 CE1 TYR A 45 -23.335 -4.479 -30.515 1.00 30.52 C ATOM 681 CE2 TYR A 45 -24.013 -4.331 -28.224 1.00 23.44 C ATOM 682 CZ TYR A 45 -24.264 -4.111 -29.563 1.00 60.14 C ATOM 683 OH TYR A 45 -25.445 -3.522 -29.951 1.00 31.25 O ATOM 0 H TYR A 45 -21.253 -7.351 -30.345 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.691 -7.864 -27.942 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -20.316 -5.599 -27.355 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -19.780 -5.623 -29.024 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -21.427 -5.357 -30.869 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -22.631 -5.089 -26.791 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -23.533 -4.306 -31.562 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -24.742 -4.043 -27.481 1.00 23.44 H new ATOM 0 HH TYR A 45 -25.988 -3.326 -29.159 1.00 31.25 H new ATOM 693 N ASP A 46 -21.427 -8.517 -26.309 1.00 20.13 N ATOM 694 CA ASP A 46 -22.427 -9.015 -25.371 1.00 54.12 C ATOM 695 C ASP A 46 -22.360 -8.253 -24.051 1.00 74.42 C ATOM 696 O ASP A 46 -21.788 -8.735 -23.073 1.00 23.32 O ATOM 697 CB ASP A 46 -22.224 -10.511 -25.122 1.00 21.25 C ATOM 698 CG ASP A 46 -21.954 -11.279 -26.401 1.00 71.31 C ATOM 699 OD1 ASP A 46 -22.847 -12.034 -26.840 1.00 23.42 O ATOM 700 OD2 ASP A 46 -20.849 -11.125 -26.963 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.462 -8.638 -26.001 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.412 -8.859 -25.811 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.390 -10.652 -24.434 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.110 -10.919 -24.637 1.00 21.25 H new ATOM 705 N ASP A 47 -22.948 -7.062 -24.031 1.00 54.10 N ATOM 706 CA ASP A 47 -22.954 -6.233 -22.831 1.00 22.40 C ATOM 707 C ASP A 47 -23.581 -6.981 -21.657 1.00 60.53 C ATOM 708 O ASP A 47 -23.302 -6.680 -20.498 1.00 15.12 O ATOM 709 CB ASP A 47 -23.717 -4.933 -23.088 1.00 42.04 C ATOM 710 CG ASP A 47 -23.226 -3.792 -22.220 1.00 23.55 C ATOM 711 OD1 ASP A 47 -21.998 -3.564 -22.178 1.00 10.12 O ATOM 712 OD2 ASP A 47 -24.067 -3.125 -21.582 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.426 -6.649 -24.832 1.00 54.10 H new ATOM 0 HA ASP A 47 -21.921 -5.995 -22.578 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.615 -4.657 -24.138 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -24.779 -5.096 -22.903 1.00 42.04 H new ATOM 717 N ALA A 48 -24.428 -7.956 -21.968 1.00 73.25 N ATOM 718 CA ALA A 48 -25.092 -8.747 -20.940 1.00 64.12 C ATOM 719 C ALA A 48 -24.085 -9.308 -19.942 1.00 44.51 C ATOM 720 O ALA A 48 -24.367 -9.404 -18.747 1.00 30.41 O ATOM 721 CB ALA A 48 -25.892 -9.876 -21.576 1.00 73.11 C ATOM 0 H ALA A 48 -24.671 -8.217 -22.924 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.775 -8.092 -20.398 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.383 -10.458 -20.796 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.645 -9.457 -22.244 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.222 -10.522 -22.144 1.00 73.11 H new ATOM 727 N THR A 49 -22.909 -9.678 -20.440 1.00 51.14 N ATOM 728 CA THR A 49 -21.861 -10.231 -19.592 1.00 43.22 C ATOM 729 C THR A 49 -20.519 -9.562 -19.869 1.00 20.11 C ATOM 730 O THR A 49 -19.468 -10.064 -19.470 1.00 63.41 O ATOM 731 CB THR A 49 -21.715 -11.751 -19.798 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.276 -12.026 -21.133 1.00 44.13 O ATOM 733 CG2 THR A 49 -23.035 -12.461 -19.536 1.00 1.21 C ATOM 0 H THR A 49 -22.659 -9.605 -21.426 1.00 51.14 H new ATOM 0 HA THR A 49 -22.155 -10.038 -18.560 1.00 43.22 H new ATOM 0 HB THR A 49 -20.974 -12.122 -19.090 1.00 2.41 H new ATOM 0 HG1 THR A 49 -21.184 -12.994 -21.254 1.00 44.13 H new ATOM 0 HG21 THR A 49 -22.908 -13.533 -19.688 1.00 1.21 H new ATOM 0 HG22 THR A 49 -23.351 -12.275 -18.510 1.00 1.21 H new ATOM 0 HG23 THR A 49 -23.793 -12.085 -20.223 1.00 1.21 H new ATOM 741 N LYS A 50 -20.561 -8.425 -20.556 1.00 43.34 N ATOM 742 CA LYS A 50 -19.349 -7.684 -20.886 1.00 34.34 C ATOM 743 C LYS A 50 -18.320 -8.593 -21.550 1.00 15.35 C ATOM 744 O LYS A 50 -17.153 -8.620 -21.156 1.00 61.42 O ATOM 745 CB LYS A 50 -18.752 -7.055 -19.626 1.00 73.32 C ATOM 746 CG LYS A 50 -19.730 -6.181 -18.861 1.00 51.01 C ATOM 747 CD LYS A 50 -19.942 -4.845 -19.553 1.00 73.55 C ATOM 748 CE LYS A 50 -21.180 -4.135 -19.027 1.00 40.03 C ATOM 749 NZ LYS A 50 -21.081 -2.656 -19.181 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.422 -7.996 -20.895 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.616 -6.893 -21.587 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.395 -7.848 -18.969 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -17.884 -6.457 -19.905 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -20.685 -6.698 -18.766 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -19.357 -6.013 -17.851 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -19.067 -4.213 -19.402 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -20.040 -5.002 -20.627 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -22.060 -4.497 -19.559 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -21.320 -4.382 -17.975 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -21.944 -2.210 -18.811 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -20.256 -2.306 -18.652 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -20.973 -2.418 -20.188 1.00 63.54 H new ATOM 763 N THR A 51 -18.758 -9.338 -22.561 1.00 24.34 N ATOM 764 CA THR A 51 -17.874 -10.247 -23.279 1.00 44.02 C ATOM 765 C THR A 51 -18.164 -10.228 -24.776 1.00 73.53 C ATOM 766 O THR A 51 -19.300 -10.010 -25.195 1.00 14.21 O ATOM 767 CB THR A 51 -18.013 -11.692 -22.761 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.862 -11.717 -21.337 1.00 32.22 O ATOM 769 CG2 THR A 51 -16.974 -12.599 -23.402 1.00 71.14 C ATOM 0 H THR A 51 -19.720 -9.329 -22.900 1.00 24.34 H new ATOM 0 HA THR A 51 -16.855 -9.901 -23.103 1.00 44.02 H new ATOM 0 HB THR A 51 -19.005 -12.057 -23.028 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.595 -11.216 -20.921 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.092 -13.613 -23.021 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.109 -12.600 -24.484 1.00 71.14 H new ATOM 0 HG23 THR A 51 -15.975 -12.235 -23.162 1.00 71.14 H new ATOM 777 N PHE A 52 -17.127 -10.456 -25.576 1.00 5.23 N ATOM 778 CA PHE A 52 -17.271 -10.463 -27.027 1.00 4.32 C ATOM 779 C PHE A 52 -17.435 -11.887 -27.551 1.00 0.13 C ATOM 780 O PHE A 52 -16.534 -12.716 -27.422 1.00 73.45 O ATOM 781 CB PHE A 52 -16.056 -9.804 -27.684 1.00 11.55 C ATOM 782 CG PHE A 52 -15.661 -8.504 -27.044 1.00 52.41 C ATOM 783 CD1 PHE A 52 -16.482 -7.391 -27.139 1.00 44.43 C ATOM 784 CD2 PHE A 52 -14.468 -8.394 -26.347 1.00 61.32 C ATOM 785 CE1 PHE A 52 -16.121 -6.194 -26.550 1.00 54.10 C ATOM 786 CE2 PHE A 52 -14.103 -7.199 -25.757 1.00 14.44 C ATOM 787 CZ PHE A 52 -14.929 -6.097 -25.860 1.00 65.43 C ATOM 0 H PHE A 52 -16.180 -10.638 -25.244 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.166 -9.896 -27.281 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.212 -10.492 -27.641 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.272 -9.630 -28.738 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -17.414 -7.460 -27.680 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -13.817 -9.252 -26.264 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -16.771 -5.335 -26.629 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -13.172 -7.127 -25.215 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.643 -5.162 -25.402 1.00 65.43 H new ATOM 797 N THR A 53 -18.593 -12.165 -28.141 1.00 65.24 N ATOM 798 CA THR A 53 -18.877 -13.488 -28.683 1.00 62.11 C ATOM 799 C THR A 53 -18.543 -13.558 -30.169 1.00 71.13 C ATOM 800 O THR A 53 -18.907 -12.670 -30.940 1.00 25.23 O ATOM 801 CB THR A 53 -20.355 -13.871 -28.482 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.680 -13.860 -27.088 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.642 -15.248 -29.063 1.00 73.15 C ATOM 0 H THR A 53 -19.350 -11.491 -28.256 1.00 65.24 H new ATOM 0 HA THR A 53 -18.249 -14.194 -28.139 1.00 62.11 H new ATOM 0 HB THR A 53 -20.970 -13.138 -29.004 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.648 -13.961 -26.977 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.692 -15.496 -28.909 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.423 -15.245 -30.131 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.017 -15.990 -28.566 1.00 73.15 H new ATOM 811 N VAL A 54 -17.847 -14.619 -30.565 1.00 32.13 N ATOM 812 CA VAL A 54 -17.466 -14.806 -31.959 1.00 13.12 C ATOM 813 C VAL A 54 -18.114 -16.056 -32.544 1.00 43.23 C ATOM 814 O VAL A 54 -17.673 -17.177 -32.285 1.00 33.41 O ATOM 815 CB VAL A 54 -15.937 -14.914 -32.113 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.548 -14.939 -33.583 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.247 -13.766 -31.390 1.00 23.13 C ATOM 0 H VAL A 54 -17.536 -15.362 -29.939 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.818 -13.930 -32.503 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.609 -15.849 -31.660 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.464 -15.016 -33.671 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.013 -15.797 -34.068 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.887 -14.022 -34.065 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.167 -13.858 -31.509 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.579 -12.818 -31.812 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.499 -13.799 -30.330 1.00 23.13 H new ATOM 827 N THR A 55 -19.162 -15.857 -33.335 1.00 72.51 N ATOM 828 CA THR A 55 -19.873 -16.968 -33.957 1.00 13.41 C ATOM 829 C THR A 55 -19.557 -17.058 -35.446 1.00 72.34 C ATOM 830 O THR A 55 -20.093 -16.297 -36.250 1.00 31.15 O ATOM 831 CB THR A 55 -21.396 -16.833 -33.774 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.713 -16.710 -32.383 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.119 -18.038 -34.359 1.00 41.24 C ATOM 0 H THR A 55 -19.538 -14.936 -33.561 1.00 72.51 H new ATOM 0 HA THR A 55 -19.534 -17.878 -33.461 1.00 13.41 H new ATOM 0 HB THR A 55 -21.726 -15.938 -34.302 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.683 -16.623 -32.275 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.194 -17.921 -34.218 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.898 -18.113 -35.424 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.783 -18.944 -33.854 1.00 41.24 H new ATOM 841 N GLU A 56 -18.684 -17.994 -35.805 1.00 35.15 N ATOM 842 CA GLU A 56 -18.297 -18.182 -37.198 1.00 50.02 C ATOM 843 C GLU A 56 -19.514 -18.495 -38.063 1.00 33.31 C ATOM 844 O GLU A 56 -19.478 -18.340 -39.283 1.00 34.50 O ATOM 845 CB GLU A 56 -17.269 -19.309 -37.318 1.00 71.10 C ATOM 846 CG GLU A 56 -17.768 -20.645 -36.797 1.00 33.33 C ATOM 847 CD GLU A 56 -18.649 -21.370 -37.795 1.00 43.00 C ATOM 848 OE1 GLU A 56 -19.749 -21.813 -37.404 1.00 54.40 O ATOM 849 OE2 GLU A 56 -18.239 -21.493 -38.969 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.232 -18.633 -35.151 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.850 -17.253 -37.552 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.984 -19.420 -38.364 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.369 -19.028 -36.771 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -16.914 -21.275 -36.548 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -18.326 -20.485 -35.875 1.00 33.33 H new