USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 437 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 9 ASN : amide:sc= 0.052 K(o=-0.7,f=0.14) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.751 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.029 USER MOD Set 2.2: A 52 THR OG1 : rot 96:sc= 0.0653 USER MOD Set 3.1: A 45 THR OG1 : rot -13:sc= -0.524 USER MOD Set 3.2: A 54 THR OG1 : rot 150:sc= 0.503 USER MOD Single : A 1 MET CE :methyl -121:sc= -0.132 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0775) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 0.414 (180deg=0.327) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.0162 USER MOD Single : A 36 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.0264 X(o=0.026,f=-0.044) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.279 -13.604 8.733 1.00 0.00 N ATOM 2 CA MET A 1 -1.977 -13.726 8.017 1.00 0.00 C ATOM 3 C MET A 1 -2.034 -12.969 6.687 1.00 0.00 C ATOM 4 O MET A 1 -1.506 -13.416 5.687 1.00 0.00 O ATOM 5 CB MET A 1 -1.796 -15.227 7.774 1.00 0.00 C ATOM 6 CG MET A 1 -0.340 -15.618 8.036 1.00 0.00 C ATOM 7 SD MET A 1 -0.116 -15.967 9.798 1.00 0.00 S ATOM 8 CE MET A 1 -0.917 -17.589 9.813 1.00 0.00 C ATOM 0 H1 MET A 1 -3.265 -14.203 9.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.431 -12.613 9.010 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.050 -13.911 8.106 1.00 0.00 H new ATOM 0 HA MET A 1 -1.150 -13.304 8.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.459 -15.794 8.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.071 -15.475 6.749 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.076 -16.494 7.444 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.325 -14.812 7.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.756 -17.574 10.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.280 -17.825 8.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.199 -18.347 10.127 1.00 0.00 H new ATOM 20 N THR A 2 -2.670 -11.826 6.673 1.00 0.00 N ATOM 21 CA THR A 2 -2.766 -11.031 5.412 1.00 0.00 C ATOM 22 C THR A 2 -1.810 -9.834 5.464 1.00 0.00 C ATOM 23 O THR A 2 -2.209 -8.701 5.271 1.00 0.00 O ATOM 24 CB THR A 2 -4.220 -10.556 5.351 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.085 -11.682 5.396 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.451 -9.782 4.051 1.00 0.00 C ATOM 0 H THR A 2 -3.128 -11.408 7.483 1.00 0.00 H new ATOM 0 HA THR A 2 -2.492 -11.616 4.534 1.00 0.00 H new ATOM 0 HB THR A 2 -4.427 -9.904 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.017 -11.380 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.486 -9.444 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.786 -8.919 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.245 -10.431 3.200 1.00 0.00 H new ATOM 34 N THR A 3 -0.549 -10.081 5.720 1.00 0.00 N ATOM 35 CA THR A 3 0.438 -8.961 5.782 1.00 0.00 C ATOM 36 C THR A 3 0.720 -8.431 4.375 1.00 0.00 C ATOM 37 O THR A 3 1.626 -8.888 3.702 1.00 0.00 O ATOM 38 CB THR A 3 1.703 -9.568 6.391 1.00 0.00 C ATOM 39 OG1 THR A 3 1.348 -10.383 7.499 1.00 0.00 O ATOM 40 CG2 THR A 3 2.633 -8.447 6.856 1.00 0.00 C ATOM 0 H THR A 3 -0.162 -11.009 5.888 1.00 0.00 H new ATOM 0 HA THR A 3 0.070 -8.122 6.373 1.00 0.00 H new ATOM 0 HB THR A 3 2.214 -10.174 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.157 -10.774 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.535 -8.879 7.290 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.903 -7.822 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.125 -7.840 7.605 1.00 0.00 H new ATOM 48 N PHE A 4 -0.049 -7.469 3.930 1.00 0.00 N ATOM 49 CA PHE A 4 0.171 -6.902 2.567 1.00 0.00 C ATOM 50 C PHE A 4 1.375 -5.961 2.582 1.00 0.00 C ATOM 51 O PHE A 4 1.603 -5.252 3.545 1.00 0.00 O ATOM 52 CB PHE A 4 -1.111 -6.131 2.242 1.00 0.00 C ATOM 53 CG PHE A 4 -2.066 -7.039 1.509 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.774 -7.450 0.205 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.243 -7.470 2.131 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.655 -8.293 -0.479 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.126 -8.313 1.447 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.832 -8.725 0.142 1.00 0.00 C ATOM 0 H PHE A 4 -0.819 -7.053 4.453 1.00 0.00 H new ATOM 0 HA PHE A 4 0.377 -7.674 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.571 -5.765 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.879 -5.258 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.866 -7.116 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.470 -7.152 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.427 -8.610 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.035 -8.646 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.513 -9.376 -0.385 1.00 0.00 H new ATOM 68 N LYS A 5 2.150 -5.955 1.527 1.00 0.00 N ATOM 69 CA LYS A 5 3.347 -5.063 1.481 1.00 0.00 C ATOM 70 C LYS A 5 3.078 -3.860 0.573 1.00 0.00 C ATOM 71 O LYS A 5 1.988 -3.696 0.055 1.00 0.00 O ATOM 72 CB LYS A 5 4.468 -5.930 0.902 1.00 0.00 C ATOM 73 CG LYS A 5 4.704 -7.144 1.804 1.00 0.00 C ATOM 74 CD LYS A 5 6.167 -7.583 1.697 1.00 0.00 C ATOM 75 CE LYS A 5 6.332 -8.523 0.501 1.00 0.00 C ATOM 76 NZ LYS A 5 7.710 -9.074 0.635 1.00 0.00 N ATOM 0 H LYS A 5 2.005 -6.529 0.696 1.00 0.00 H new ATOM 0 HA LYS A 5 3.603 -4.668 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.204 -6.258 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.384 -5.346 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.463 -6.895 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.045 -7.962 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.811 -6.712 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.475 -8.086 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.586 -9.317 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.210 -7.989 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.900 -9.729 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.399 -8.295 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.794 -9.582 1.538 1.00 0.00 H new ATOM 90 N LEU A 6 4.064 -3.021 0.374 1.00 0.00 N ATOM 91 CA LEU A 6 3.871 -1.828 -0.503 1.00 0.00 C ATOM 92 C LEU A 6 5.225 -1.200 -0.837 1.00 0.00 C ATOM 93 O LEU A 6 5.846 -0.574 -0.001 1.00 0.00 O ATOM 94 CB LEU A 6 3.007 -0.854 0.321 1.00 0.00 C ATOM 95 CG LEU A 6 2.846 0.492 -0.416 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.514 0.521 -1.168 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.881 1.639 0.601 1.00 0.00 C ATOM 0 H LEU A 6 4.994 -3.112 0.782 1.00 0.00 H new ATOM 0 HA LEU A 6 3.395 -2.083 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.026 -1.294 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.467 -0.688 1.295 1.00 0.00 H new ATOM 0 HG LEU A 6 3.662 0.608 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.409 1.475 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.489 -0.291 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.694 0.400 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.767 2.590 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.067 1.517 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.834 1.627 1.131 1.00 0.00 H new ATOM 109 N ILE A 7 5.658 -1.332 -2.062 1.00 0.00 N ATOM 110 CA ILE A 7 6.948 -0.708 -2.471 1.00 0.00 C ATOM 111 C ILE A 7 6.650 0.709 -2.958 1.00 0.00 C ATOM 112 O ILE A 7 5.922 0.893 -3.920 1.00 0.00 O ATOM 113 CB ILE A 7 7.475 -1.583 -3.613 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.742 -2.995 -3.088 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.775 -0.989 -4.161 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.631 -3.997 -4.240 1.00 0.00 C ATOM 0 H ILE A 7 5.173 -1.846 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 7 7.679 -0.644 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 7 6.733 -1.623 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.735 -3.047 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.027 -3.245 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.147 -1.614 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.586 0.017 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.519 -0.947 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.821 -5.003 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.629 -3.952 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.364 -3.751 -5.008 1.00 0.00 H new ATOM 128 N ILE A 8 7.179 1.711 -2.301 1.00 0.00 N ATOM 129 CA ILE A 8 6.882 3.101 -2.747 1.00 0.00 C ATOM 130 C ILE A 8 7.894 3.514 -3.823 1.00 0.00 C ATOM 131 O ILE A 8 9.086 3.552 -3.579 1.00 0.00 O ATOM 132 CB ILE A 8 6.989 4.030 -1.518 1.00 0.00 C ATOM 133 CG1 ILE A 8 5.900 3.714 -0.484 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.768 5.473 -1.977 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.185 2.388 0.199 1.00 0.00 C ATOM 0 H ILE A 8 7.792 1.628 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 8 5.880 3.168 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 8 7.972 3.886 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.854 4.510 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.926 3.677 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.840 6.143 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.527 5.741 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.779 5.564 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.403 2.179 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.208 1.593 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.149 2.439 0.705 1.00 0.00 H new ATOM 147 N ASN A 9 7.428 3.828 -5.001 1.00 0.00 N ATOM 148 CA ASN A 9 8.358 4.245 -6.090 1.00 0.00 C ATOM 149 C ASN A 9 8.431 5.774 -6.164 1.00 0.00 C ATOM 150 O ASN A 9 7.478 6.463 -5.850 1.00 0.00 O ATOM 151 CB ASN A 9 7.753 3.671 -7.371 1.00 0.00 C ATOM 152 CG ASN A 9 8.700 3.926 -8.545 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.659 3.205 -8.734 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.470 4.929 -9.347 1.00 0.00 N ATOM 0 H ASN A 9 6.441 3.814 -5.257 1.00 0.00 H new ATOM 0 HA ASN A 9 9.374 3.887 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.580 2.601 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.784 4.131 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.095 5.108 -10.133 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.665 5.535 -9.188 1.00 0.00 H new ATOM 161 N GLY A 10 9.555 6.306 -6.573 1.00 0.00 N ATOM 162 CA GLY A 10 9.696 7.790 -6.668 1.00 0.00 C ATOM 163 C GLY A 10 10.851 8.255 -5.778 1.00 0.00 C ATOM 164 O GLY A 10 11.955 7.750 -5.867 1.00 0.00 O ATOM 0 H GLY A 10 10.382 5.775 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.880 8.082 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.769 8.274 -6.360 1.00 0.00 H new ATOM 168 N LYS A 11 10.602 9.211 -4.918 1.00 0.00 N ATOM 169 CA LYS A 11 11.684 9.712 -4.014 1.00 0.00 C ATOM 170 C LYS A 11 11.173 9.816 -2.571 1.00 0.00 C ATOM 171 O LYS A 11 11.869 9.463 -1.637 1.00 0.00 O ATOM 172 CB LYS A 11 12.070 11.091 -4.563 1.00 0.00 C ATOM 173 CG LYS A 11 10.853 12.023 -4.562 1.00 0.00 C ATOM 174 CD LYS A 11 11.193 13.305 -5.329 1.00 0.00 C ATOM 175 CE LYS A 11 10.783 13.153 -6.800 1.00 0.00 C ATOM 176 NZ LYS A 11 11.998 13.514 -7.582 1.00 0.00 N ATOM 0 H LYS A 11 9.697 9.666 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 11 12.541 9.039 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.867 11.521 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.459 10.991 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.000 11.526 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.566 12.264 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.676 14.155 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.261 13.510 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.463 12.134 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.947 13.808 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.793 13.433 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.275 14.492 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.775 12.869 -7.333 1.00 0.00 H new ATOM 190 N THR A 12 9.964 10.287 -2.384 1.00 0.00 N ATOM 191 CA THR A 12 9.410 10.401 -0.997 1.00 0.00 C ATOM 192 C THR A 12 9.297 9.014 -0.377 1.00 0.00 C ATOM 193 O THR A 12 8.370 8.284 -0.647 1.00 0.00 O ATOM 194 CB THR A 12 8.025 11.039 -1.154 1.00 0.00 C ATOM 195 OG1 THR A 12 8.057 12.004 -2.198 1.00 0.00 O ATOM 196 CG2 THR A 12 7.628 11.721 0.156 1.00 0.00 C ATOM 0 H THR A 12 9.339 10.596 -3.128 1.00 0.00 H new ATOM 0 HA THR A 12 10.047 10.999 -0.345 1.00 0.00 H new ATOM 0 HB THR A 12 7.297 10.266 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.170 12.409 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.643 12.175 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.599 10.982 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.358 12.493 0.400 1.00 0.00 H new ATOM 204 N LEU A 13 10.251 8.651 0.448 1.00 0.00 N ATOM 205 CA LEU A 13 10.244 7.302 1.099 1.00 0.00 C ATOM 206 C LEU A 13 10.318 6.207 0.015 1.00 0.00 C ATOM 207 O LEU A 13 9.864 6.392 -1.099 1.00 0.00 O ATOM 208 CB LEU A 13 8.945 7.262 1.965 1.00 0.00 C ATOM 209 CG LEU A 13 7.877 6.316 1.395 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.217 4.866 1.761 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.508 6.682 1.979 1.00 0.00 C ATOM 0 H LEU A 13 11.044 9.240 0.701 1.00 0.00 H new ATOM 0 HA LEU A 13 11.105 7.120 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.199 6.948 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.531 8.268 2.037 1.00 0.00 H new ATOM 0 HG LEU A 13 7.851 6.416 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.456 4.200 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.189 4.604 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.248 4.762 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.749 6.012 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.538 6.585 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.262 7.710 1.713 1.00 0.00 H new ATOM 223 N LYS A 14 10.889 5.076 0.337 1.00 0.00 N ATOM 224 CA LYS A 14 10.996 3.978 -0.659 1.00 0.00 C ATOM 225 C LYS A 14 11.293 2.651 0.042 1.00 0.00 C ATOM 226 O LYS A 14 12.394 2.410 0.502 1.00 0.00 O ATOM 227 CB LYS A 14 12.143 4.380 -1.595 1.00 0.00 C ATOM 228 CG LYS A 14 13.441 4.564 -0.799 1.00 0.00 C ATOM 229 CD LYS A 14 14.309 5.626 -1.476 1.00 0.00 C ATOM 230 CE LYS A 14 13.927 7.011 -0.949 1.00 0.00 C ATOM 231 NZ LYS A 14 14.978 7.926 -1.476 1.00 0.00 N ATOM 0 H LYS A 14 11.287 4.868 1.253 1.00 0.00 H new ATOM 0 HA LYS A 14 10.068 3.836 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.283 3.615 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.892 5.306 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.213 4.863 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.982 3.619 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.363 5.429 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.173 5.587 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.937 7.306 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.901 7.026 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.785 8.897 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.909 7.624 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.975 7.896 -2.516 1.00 0.00 H new ATOM 245 N GLY A 15 10.311 1.791 0.129 1.00 0.00 N ATOM 246 CA GLY A 15 10.524 0.476 0.801 1.00 0.00 C ATOM 247 C GLY A 15 9.247 -0.360 0.718 1.00 0.00 C ATOM 248 O GLY A 15 8.173 0.153 0.463 1.00 0.00 O ATOM 0 H GLY A 15 9.371 1.943 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.349 -0.056 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.801 0.631 1.844 1.00 0.00 H new ATOM 252 N GLU A 16 9.363 -1.648 0.925 1.00 0.00 N ATOM 253 CA GLU A 16 8.174 -2.542 0.859 1.00 0.00 C ATOM 254 C GLU A 16 7.612 -2.805 2.265 1.00 0.00 C ATOM 255 O GLU A 16 7.518 -3.938 2.701 1.00 0.00 O ATOM 256 CB GLU A 16 8.716 -3.825 0.216 1.00 0.00 C ATOM 257 CG GLU A 16 9.696 -4.535 1.163 1.00 0.00 C ATOM 258 CD GLU A 16 10.908 -5.039 0.376 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.717 -5.502 -0.737 1.00 0.00 O ATOM 260 OE2 GLU A 16 12.007 -4.954 0.899 1.00 0.00 O ATOM 0 H GLU A 16 10.242 -2.120 1.139 1.00 0.00 H new ATOM 0 HA GLU A 16 7.348 -2.114 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.890 -4.493 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.218 -3.584 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.020 -3.850 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.198 -5.370 1.656 1.00 0.00 H new ATOM 267 N ILE A 17 7.233 -1.769 2.978 1.00 0.00 N ATOM 268 CA ILE A 17 6.673 -1.960 4.359 1.00 0.00 C ATOM 269 C ILE A 17 5.524 -2.978 4.334 1.00 0.00 C ATOM 270 O ILE A 17 4.790 -3.069 3.369 1.00 0.00 O ATOM 271 CB ILE A 17 6.170 -0.578 4.797 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.158 -0.041 3.779 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.351 0.387 4.892 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.234 0.969 4.463 1.00 0.00 C ATOM 0 H ILE A 17 7.287 -0.800 2.665 1.00 0.00 H new ATOM 0 HA ILE A 17 7.421 -2.348 5.050 1.00 0.00 H new ATOM 0 HB ILE A 17 5.687 -0.667 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.679 0.432 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.573 -0.862 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.994 1.369 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.068 0.013 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.834 0.468 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.514 1.351 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.703 0.481 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.826 1.795 4.857 1.00 0.00 H new ATOM 286 N THR A 18 5.382 -3.755 5.378 1.00 0.00 N ATOM 287 CA THR A 18 4.296 -4.784 5.407 1.00 0.00 C ATOM 288 C THR A 18 3.255 -4.451 6.478 1.00 0.00 C ATOM 289 O THR A 18 3.587 -4.032 7.571 1.00 0.00 O ATOM 290 CB THR A 18 5.004 -6.100 5.746 1.00 0.00 C ATOM 291 OG1 THR A 18 5.624 -5.984 7.019 1.00 0.00 O ATOM 292 CG2 THR A 18 6.065 -6.413 4.688 1.00 0.00 C ATOM 0 H THR A 18 5.970 -3.722 6.211 1.00 0.00 H new ATOM 0 HA THR A 18 3.762 -4.833 4.458 1.00 0.00 H new ATOM 0 HB THR A 18 4.272 -6.907 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.077 -6.825 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.563 -7.350 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.589 -6.504 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.800 -5.608 4.660 1.00 0.00 H new ATOM 300 N ILE A 19 1.997 -4.649 6.172 1.00 0.00 N ATOM 301 CA ILE A 19 0.923 -4.359 7.173 1.00 0.00 C ATOM 302 C ILE A 19 -0.244 -5.341 7.007 1.00 0.00 C ATOM 303 O ILE A 19 -0.715 -5.578 5.910 1.00 0.00 O ATOM 304 CB ILE A 19 0.469 -2.922 6.889 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.062 -2.810 5.454 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.654 -1.970 7.066 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.584 -2.974 5.455 1.00 0.00 C ATOM 0 H ILE A 19 1.667 -4.999 5.273 1.00 0.00 H new ATOM 0 HA ILE A 19 1.283 -4.469 8.196 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.326 -2.656 7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.209 -1.843 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.396 -3.574 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.333 -0.948 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.026 -2.039 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.448 -2.244 6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.959 -2.894 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.844 -3.951 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.034 -2.194 6.069 1.00 0.00 H new ATOM 319 N GLU A 20 -0.709 -5.910 8.090 1.00 0.00 N ATOM 320 CA GLU A 20 -1.847 -6.878 8.007 1.00 0.00 C ATOM 321 C GLU A 20 -3.145 -6.140 7.659 1.00 0.00 C ATOM 322 O GLU A 20 -3.289 -4.963 7.928 1.00 0.00 O ATOM 323 CB GLU A 20 -1.941 -7.517 9.399 1.00 0.00 C ATOM 324 CG GLU A 20 -2.190 -6.437 10.461 1.00 0.00 C ATOM 325 CD GLU A 20 -1.322 -6.710 11.692 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.136 -6.431 11.631 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.860 -7.194 12.675 1.00 0.00 O ATOM 0 H GLU A 20 -0.350 -5.746 9.030 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.692 -7.628 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.748 -8.249 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.019 -8.053 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.959 -5.453 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.243 -6.427 10.742 1.00 0.00 H new ATOM 334 N ALA A 21 -4.087 -6.829 7.063 1.00 0.00 N ATOM 335 CA ALA A 21 -5.378 -6.176 6.693 1.00 0.00 C ATOM 336 C ALA A 21 -6.412 -7.231 6.289 1.00 0.00 C ATOM 337 O ALA A 21 -6.068 -8.334 5.906 1.00 0.00 O ATOM 338 CB ALA A 21 -5.042 -5.275 5.504 1.00 0.00 C ATOM 0 H ALA A 21 -4.016 -7.816 6.817 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.806 -5.614 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.943 -4.759 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.293 -4.542 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.650 -5.881 4.687 1.00 0.00 H new ATOM 344 N VAL A 22 -7.676 -6.897 6.370 1.00 0.00 N ATOM 345 CA VAL A 22 -8.749 -7.870 5.992 1.00 0.00 C ATOM 346 C VAL A 22 -8.525 -8.390 4.564 1.00 0.00 C ATOM 347 O VAL A 22 -8.810 -9.531 4.254 1.00 0.00 O ATOM 348 CB VAL A 22 -10.061 -7.076 6.087 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.025 -5.886 5.121 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.240 -7.985 5.729 1.00 0.00 C ATOM 0 H VAL A 22 -8.013 -5.987 6.684 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.758 -8.745 6.642 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.179 -6.708 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.959 -5.329 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.191 -5.233 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.899 -6.249 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.169 -7.419 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.116 -8.358 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.275 -8.825 6.422 1.00 0.00 H new ATOM 360 N ASP A 23 -8.011 -7.551 3.702 1.00 0.00 N ATOM 361 CA ASP A 23 -7.754 -7.968 2.294 1.00 0.00 C ATOM 362 C ASP A 23 -6.844 -6.941 1.620 1.00 0.00 C ATOM 363 O ASP A 23 -6.469 -5.953 2.224 1.00 0.00 O ATOM 364 CB ASP A 23 -9.134 -8.002 1.623 1.00 0.00 C ATOM 365 CG ASP A 23 -9.812 -6.624 1.710 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.214 -5.710 2.258 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.924 -6.508 1.221 1.00 0.00 O ATOM 0 H ASP A 23 -7.757 -6.587 3.917 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.258 -8.936 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.030 -8.297 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.760 -8.753 2.105 1.00 0.00 H new ATOM 372 N ALA A 24 -6.484 -7.161 0.381 1.00 0.00 N ATOM 373 CA ALA A 24 -5.594 -6.182 -0.315 1.00 0.00 C ATOM 374 C ALA A 24 -6.319 -4.843 -0.459 1.00 0.00 C ATOM 375 O ALA A 24 -5.704 -3.794 -0.473 1.00 0.00 O ATOM 376 CB ALA A 24 -5.297 -6.789 -1.685 1.00 0.00 C ATOM 0 H ALA A 24 -6.765 -7.969 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.673 -5.996 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.647 -6.118 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.802 -7.751 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.230 -6.931 -2.230 1.00 0.00 H new ATOM 382 N ALA A 25 -7.628 -4.874 -0.560 1.00 0.00 N ATOM 383 CA ALA A 25 -8.407 -3.607 -0.694 1.00 0.00 C ATOM 384 C ALA A 25 -8.133 -2.700 0.508 1.00 0.00 C ATOM 385 O ALA A 25 -7.858 -1.524 0.361 1.00 0.00 O ATOM 386 CB ALA A 25 -9.877 -4.032 -0.720 1.00 0.00 C ATOM 0 H ALA A 25 -8.189 -5.726 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.136 -3.050 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.509 -3.149 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.049 -4.696 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.121 -4.553 0.205 1.00 0.00 H new ATOM 392 N GLU A 26 -8.191 -3.250 1.694 1.00 0.00 N ATOM 393 CA GLU A 26 -7.917 -2.436 2.915 1.00 0.00 C ATOM 394 C GLU A 26 -6.441 -2.043 2.936 1.00 0.00 C ATOM 395 O GLU A 26 -6.092 -0.922 3.253 1.00 0.00 O ATOM 396 CB GLU A 26 -8.252 -3.350 4.095 1.00 0.00 C ATOM 397 CG GLU A 26 -8.233 -2.540 5.393 1.00 0.00 C ATOM 398 CD GLU A 26 -8.867 -3.360 6.517 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.071 -3.257 6.693 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.140 -4.079 7.181 1.00 0.00 O ATOM 0 H GLU A 26 -8.417 -4.229 1.869 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.502 -1.517 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.233 -3.802 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.531 -4.165 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.208 -2.277 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.778 -1.606 5.259 1.00 0.00 H new ATOM 407 N ALA A 27 -5.570 -2.958 2.581 1.00 0.00 N ATOM 408 CA ALA A 27 -4.106 -2.641 2.554 1.00 0.00 C ATOM 409 C ALA A 27 -3.859 -1.441 1.638 1.00 0.00 C ATOM 410 O ALA A 27 -3.155 -0.514 1.991 1.00 0.00 O ATOM 411 CB ALA A 27 -3.425 -3.887 1.986 1.00 0.00 C ATOM 0 H ALA A 27 -5.810 -3.911 2.309 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.721 -2.390 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.348 -3.723 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.634 -4.741 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.806 -4.085 0.984 1.00 0.00 H new ATOM 417 N GLU A 28 -4.454 -1.448 0.467 1.00 0.00 N ATOM 418 CA GLU A 28 -4.274 -0.301 -0.476 1.00 0.00 C ATOM 419 C GLU A 28 -4.748 0.989 0.198 1.00 0.00 C ATOM 420 O GLU A 28 -4.167 2.038 0.015 1.00 0.00 O ATOM 421 CB GLU A 28 -5.139 -0.629 -1.698 1.00 0.00 C ATOM 422 CG GLU A 28 -4.571 0.077 -2.935 1.00 0.00 C ATOM 423 CD GLU A 28 -5.700 0.354 -3.927 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.405 1.331 -3.735 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.842 -0.416 -4.863 1.00 0.00 O ATOM 0 H GLU A 28 -5.055 -2.198 0.126 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.232 -0.156 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.163 -1.707 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.167 -0.310 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.090 1.011 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.806 -0.544 -3.402 1.00 0.00 H new ATOM 432 N LYS A 29 -5.786 0.910 0.998 1.00 0.00 N ATOM 433 CA LYS A 29 -6.279 2.128 1.710 1.00 0.00 C ATOM 434 C LYS A 29 -5.264 2.516 2.788 1.00 0.00 C ATOM 435 O LYS A 29 -4.802 3.644 2.848 1.00 0.00 O ATOM 436 CB LYS A 29 -7.611 1.720 2.344 1.00 0.00 C ATOM 437 CG LYS A 29 -8.675 1.552 1.252 1.00 0.00 C ATOM 438 CD LYS A 29 -9.583 2.785 1.221 1.00 0.00 C ATOM 439 CE LYS A 29 -8.918 3.889 0.397 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.047 4.628 -0.233 1.00 0.00 N ATOM 0 H LYS A 29 -6.310 0.056 1.187 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.406 2.984 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.492 0.787 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.929 2.476 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.196 1.417 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.267 0.657 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.550 2.527 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.771 3.137 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.318 4.546 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.249 3.472 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.672 5.403 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.596 3.979 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.663 5.019 0.508 1.00 0.00 H new ATOM 454 N ILE A 30 -4.892 1.574 3.623 1.00 0.00 N ATOM 455 CA ILE A 30 -3.879 1.861 4.689 1.00 0.00 C ATOM 456 C ILE A 30 -2.590 2.351 4.027 1.00 0.00 C ATOM 457 O ILE A 30 -1.894 3.204 4.543 1.00 0.00 O ATOM 458 CB ILE A 30 -3.643 0.521 5.398 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.947 0.036 6.036 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.585 0.693 6.492 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.909 -1.488 6.163 1.00 0.00 C ATOM 0 H ILE A 30 -5.247 0.618 3.612 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.209 2.627 5.391 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.299 -0.210 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.077 0.491 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.799 0.341 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.421 -0.261 6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.651 1.033 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.929 1.429 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.836 -1.838 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.798 -1.933 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.065 -1.780 6.789 1.00 0.00 H new ATOM 473 N PHE A 31 -2.291 1.819 2.872 1.00 0.00 N ATOM 474 CA PHE A 31 -1.070 2.247 2.137 1.00 0.00 C ATOM 475 C PHE A 31 -1.339 3.593 1.467 1.00 0.00 C ATOM 476 O PHE A 31 -0.473 4.444 1.386 1.00 0.00 O ATOM 477 CB PHE A 31 -0.831 1.158 1.086 1.00 0.00 C ATOM 478 CG PHE A 31 -0.103 -0.014 1.703 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.046 0.193 2.477 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.577 -1.313 1.491 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.719 -0.899 3.037 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.096 -2.405 2.052 1.00 0.00 C ATOM 483 CZ PHE A 31 1.245 -2.197 2.824 1.00 0.00 C ATOM 0 H PHE A 31 -2.845 1.102 2.405 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.203 2.368 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.783 0.827 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.248 1.563 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.413 1.195 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.463 -1.474 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.605 -0.739 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.271 -3.408 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.765 -3.039 3.255 1.00 0.00 H new ATOM 493 N LYS A 32 -2.545 3.788 0.992 1.00 0.00 N ATOM 494 CA LYS A 32 -2.901 5.073 0.329 1.00 0.00 C ATOM 495 C LYS A 32 -3.160 6.179 1.363 1.00 0.00 C ATOM 496 O LYS A 32 -3.451 7.305 1.005 1.00 0.00 O ATOM 497 CB LYS A 32 -4.167 4.784 -0.472 1.00 0.00 C ATOM 498 CG LYS A 32 -3.789 4.076 -1.775 1.00 0.00 C ATOM 499 CD LYS A 32 -5.056 3.567 -2.466 1.00 0.00 C ATOM 500 CE LYS A 32 -4.853 3.582 -3.983 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.184 3.943 -4.546 1.00 0.00 N ATOM 0 H LYS A 32 -3.301 3.105 1.037 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.089 5.428 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.846 4.161 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.694 5.713 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.254 4.762 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.116 3.244 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.285 2.556 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.906 4.193 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.092 4.307 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.521 2.609 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.083 4.172 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.836 3.141 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.563 4.769 -4.040 1.00 0.00 H new ATOM 515 N GLN A 33 -3.009 5.889 2.636 1.00 0.00 N ATOM 516 CA GLN A 33 -3.196 6.947 3.677 1.00 0.00 C ATOM 517 C GLN A 33 -1.803 7.241 4.202 1.00 0.00 C ATOM 518 O GLN A 33 -1.364 8.369 4.308 1.00 0.00 O ATOM 519 CB GLN A 33 -4.078 6.316 4.758 1.00 0.00 C ATOM 520 CG GLN A 33 -4.271 7.309 5.906 1.00 0.00 C ATOM 521 CD GLN A 33 -5.658 7.112 6.523 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.913 6.114 7.165 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.570 8.031 6.354 1.00 0.00 N ATOM 0 H GLN A 33 -2.765 4.966 2.996 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.660 7.867 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.044 6.039 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.617 5.400 5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.500 7.161 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.166 8.330 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.355 8.870 5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.497 7.910 6.762 1.00 0.00 H new ATOM 532 N TYR A 34 -1.093 6.181 4.454 1.00 0.00 N ATOM 533 CA TYR A 34 0.323 6.254 4.897 1.00 0.00 C ATOM 534 C TYR A 34 1.116 7.111 3.886 1.00 0.00 C ATOM 535 O TYR A 34 1.916 7.950 4.251 1.00 0.00 O ATOM 536 CB TYR A 34 0.722 4.768 4.840 1.00 0.00 C ATOM 537 CG TYR A 34 2.222 4.586 4.715 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.033 4.680 5.852 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.797 4.324 3.465 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.418 4.513 5.741 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.182 4.156 3.353 1.00 0.00 C ATOM 542 CZ TYR A 34 4.993 4.251 4.492 1.00 0.00 C ATOM 543 OH TYR A 34 6.358 4.085 4.383 1.00 0.00 O ATOM 0 H TYR A 34 -1.452 5.230 4.367 1.00 0.00 H new ATOM 0 HA TYR A 34 0.501 6.707 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.370 4.263 5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.227 4.292 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.589 4.882 6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.172 4.252 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.043 4.586 6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.625 3.953 2.389 1.00 0.00 H new ATOM 0 HH TYR A 34 6.555 3.474 3.643 1.00 0.00 H new ATOM 553 N ALA A 35 0.867 6.895 2.618 1.00 0.00 N ATOM 554 CA ALA A 35 1.565 7.678 1.553 1.00 0.00 C ATOM 555 C ALA A 35 1.257 9.170 1.716 1.00 0.00 C ATOM 556 O ALA A 35 2.142 10.004 1.676 1.00 0.00 O ATOM 557 CB ALA A 35 0.984 7.163 0.232 1.00 0.00 C ATOM 0 H ALA A 35 0.203 6.202 2.272 1.00 0.00 H new ATOM 0 HA ALA A 35 2.648 7.560 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.448 7.692 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.182 6.095 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.092 7.335 0.216 1.00 0.00 H new ATOM 563 N ASN A 36 0.004 9.506 1.898 1.00 0.00 N ATOM 564 CA ASN A 36 -0.382 10.945 2.065 1.00 0.00 C ATOM 565 C ASN A 36 0.362 11.567 3.250 1.00 0.00 C ATOM 566 O ASN A 36 0.936 12.633 3.142 1.00 0.00 O ATOM 567 CB ASN A 36 -1.883 10.932 2.336 1.00 0.00 C ATOM 568 CG ASN A 36 -2.645 10.941 1.008 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.495 11.782 0.789 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.376 10.036 0.107 1.00 0.00 N ATOM 0 H ASN A 36 -0.772 8.845 1.939 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.130 11.535 1.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.151 10.048 2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.162 11.800 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.879 10.035 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.663 9.330 0.290 1.00 0.00 H new ATOM 577 N ASP A 37 0.352 10.905 4.380 1.00 0.00 N ATOM 578 CA ASP A 37 1.056 11.451 5.585 1.00 0.00 C ATOM 579 C ASP A 37 2.532 11.723 5.280 1.00 0.00 C ATOM 580 O ASP A 37 3.175 12.517 5.941 1.00 0.00 O ATOM 581 CB ASP A 37 0.921 10.368 6.657 1.00 0.00 C ATOM 582 CG ASP A 37 1.198 10.974 8.034 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.264 11.475 8.638 1.00 0.00 O ATOM 584 OD2 ASP A 37 2.340 10.926 8.461 1.00 0.00 O ATOM 0 H ASP A 37 -0.114 10.009 4.522 1.00 0.00 H new ATOM 0 HA ASP A 37 0.626 12.400 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.081 9.939 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.620 9.556 6.458 1.00 0.00 H new ATOM 589 N ASN A 38 3.066 11.071 4.283 1.00 0.00 N ATOM 590 CA ASN A 38 4.490 11.277 3.921 1.00 0.00 C ATOM 591 C ASN A 38 4.609 12.161 2.674 1.00 0.00 C ATOM 592 O ASN A 38 5.611 12.820 2.466 1.00 0.00 O ATOM 593 CB ASN A 38 5.036 9.875 3.642 1.00 0.00 C ATOM 594 CG ASN A 38 5.493 9.237 4.954 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.397 9.727 5.600 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.899 8.155 5.380 1.00 0.00 N ATOM 0 H ASN A 38 2.568 10.398 3.700 1.00 0.00 H new ATOM 0 HA ASN A 38 5.044 11.781 4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.267 9.260 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.870 9.930 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.194 7.722 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.140 7.743 4.838 1.00 0.00 H new ATOM 603 N GLY A 39 3.595 12.177 1.843 1.00 0.00 N ATOM 604 CA GLY A 39 3.645 13.013 0.604 1.00 0.00 C ATOM 605 C GLY A 39 3.825 12.104 -0.614 1.00 0.00 C ATOM 606 O GLY A 39 4.425 12.484 -1.601 1.00 0.00 O ATOM 0 H GLY A 39 2.734 11.646 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.728 13.594 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.468 13.725 0.665 1.00 0.00 H new ATOM 610 N ILE A 40 3.312 10.903 -0.542 1.00 0.00 N ATOM 611 CA ILE A 40 3.444 9.948 -1.681 1.00 0.00 C ATOM 612 C ILE A 40 2.178 10.020 -2.542 1.00 0.00 C ATOM 613 O ILE A 40 1.120 9.561 -2.155 1.00 0.00 O ATOM 614 CB ILE A 40 3.639 8.583 -0.983 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.122 8.386 -0.690 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.149 7.401 -1.826 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.554 9.401 0.358 1.00 0.00 C ATOM 0 H ILE A 40 2.803 10.541 0.264 1.00 0.00 H new ATOM 0 HA ILE A 40 4.268 10.153 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 40 3.045 8.603 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.305 7.373 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.707 8.512 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.314 6.472 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.085 7.517 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.699 7.372 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.614 9.270 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.383 10.409 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.975 9.252 1.269 1.00 0.00 H new ATOM 629 N ASP A 41 2.289 10.609 -3.701 1.00 0.00 N ATOM 630 CA ASP A 41 1.100 10.733 -4.598 1.00 0.00 C ATOM 631 C ASP A 41 1.506 10.642 -6.074 1.00 0.00 C ATOM 632 O ASP A 41 1.967 11.603 -6.660 1.00 0.00 O ATOM 633 CB ASP A 41 0.517 12.112 -4.290 1.00 0.00 C ATOM 634 CG ASP A 41 -0.867 12.238 -4.929 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.009 11.832 -6.071 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.761 12.736 -4.265 1.00 0.00 O ATOM 0 H ASP A 41 3.152 11.011 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 41 0.383 9.930 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.445 12.255 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.177 12.891 -4.672 1.00 0.00 H new ATOM 641 N GLY A 42 1.320 9.496 -6.677 1.00 0.00 N ATOM 642 CA GLY A 42 1.672 9.328 -8.119 1.00 0.00 C ATOM 643 C GLY A 42 0.839 8.187 -8.712 1.00 0.00 C ATOM 644 O GLY A 42 -0.344 8.338 -8.958 1.00 0.00 O ATOM 0 H GLY A 42 0.937 8.664 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.481 10.254 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.735 9.110 -8.223 1.00 0.00 H new ATOM 648 N GLU A 43 1.444 7.048 -8.942 1.00 0.00 N ATOM 649 CA GLU A 43 0.684 5.892 -9.520 1.00 0.00 C ATOM 650 C GLU A 43 0.405 4.837 -8.439 1.00 0.00 C ATOM 651 O GLU A 43 0.822 4.980 -7.312 1.00 0.00 O ATOM 652 CB GLU A 43 1.597 5.320 -10.607 1.00 0.00 C ATOM 653 CG GLU A 43 0.763 4.931 -11.830 1.00 0.00 C ATOM 654 CD GLU A 43 0.317 6.195 -12.566 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.088 6.691 -13.372 1.00 0.00 O ATOM 656 OE2 GLU A 43 -0.787 6.647 -12.312 1.00 0.00 O ATOM 0 H GLU A 43 2.430 6.867 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.284 6.196 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.350 6.057 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.130 4.449 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.348 4.297 -12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.107 4.351 -11.521 1.00 0.00 H new ATOM 663 N TRP A 44 -0.297 3.784 -8.785 1.00 0.00 N ATOM 664 CA TRP A 44 -0.617 2.700 -7.793 1.00 0.00 C ATOM 665 C TRP A 44 -0.878 1.392 -8.535 1.00 0.00 C ATOM 666 O TRP A 44 -1.647 1.350 -9.478 1.00 0.00 O ATOM 667 CB TRP A 44 -1.901 3.149 -7.089 1.00 0.00 C ATOM 668 CG TRP A 44 -1.570 4.022 -5.930 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.496 5.372 -5.954 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.282 3.618 -4.571 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.162 5.820 -4.688 1.00 0.00 N ATOM 672 CE2 TRP A 44 -1.019 4.773 -3.800 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.218 2.364 -3.944 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.702 4.688 -2.447 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.900 2.274 -2.579 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.640 3.435 -1.834 1.00 0.00 C ATOM 0 H TRP A 44 -0.667 3.625 -9.722 1.00 0.00 H new ATOM 0 HA TRP A 44 0.200 2.539 -7.089 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.540 3.687 -7.789 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.463 2.279 -6.750 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.669 5.997 -6.818 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.037 6.802 -4.442 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.414 1.467 -4.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.506 5.584 -1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.855 1.307 -2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.392 3.359 -0.786 1.00 0.00 H new ATOM 687 N THR A 45 -0.256 0.324 -8.111 1.00 0.00 N ATOM 688 CA THR A 45 -0.480 -0.991 -8.789 1.00 0.00 C ATOM 689 C THR A 45 -0.434 -2.102 -7.755 1.00 0.00 C ATOM 690 O THR A 45 0.467 -2.164 -6.945 1.00 0.00 O ATOM 691 CB THR A 45 0.658 -1.175 -9.810 1.00 0.00 C ATOM 692 OG1 THR A 45 1.847 -1.564 -9.138 1.00 0.00 O ATOM 693 CG2 THR A 45 0.908 0.125 -10.572 1.00 0.00 C ATOM 0 H THR A 45 0.396 0.303 -7.327 1.00 0.00 H new ATOM 0 HA THR A 45 -1.450 -1.020 -9.286 1.00 0.00 H new ATOM 0 HB THR A 45 0.367 -1.950 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.740 -1.421 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.715 -0.023 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.001 0.416 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.186 0.911 -9.870 1.00 0.00 H new ATOM 701 N TYR A 46 -1.394 -2.981 -7.787 1.00 0.00 N ATOM 702 CA TYR A 46 -1.412 -4.104 -6.809 1.00 0.00 C ATOM 703 C TYR A 46 -0.835 -5.369 -7.462 1.00 0.00 C ATOM 704 O TYR A 46 -1.129 -5.678 -8.602 1.00 0.00 O ATOM 705 CB TYR A 46 -2.893 -4.288 -6.435 1.00 0.00 C ATOM 706 CG TYR A 46 -3.063 -5.555 -5.623 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.361 -5.709 -4.425 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.899 -6.579 -6.082 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.498 -6.882 -3.679 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.035 -7.757 -5.337 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.335 -7.909 -4.136 1.00 0.00 C ATOM 712 OH TYR A 46 -3.468 -9.070 -3.403 1.00 0.00 O ATOM 0 H TYR A 46 -2.169 -2.971 -8.450 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.806 -3.905 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.243 -3.429 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.502 -4.339 -7.338 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.712 -4.920 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.439 -6.461 -7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.959 -6.997 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.680 -8.548 -5.690 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.086 -9.677 -3.861 1.00 0.00 H new ATOM 722 N ASP A 47 -0.027 -6.101 -6.739 1.00 0.00 N ATOM 723 CA ASP A 47 0.559 -7.353 -7.300 1.00 0.00 C ATOM 724 C ASP A 47 -0.095 -8.566 -6.637 1.00 0.00 C ATOM 725 O ASP A 47 0.258 -8.947 -5.536 1.00 0.00 O ATOM 726 CB ASP A 47 2.051 -7.293 -6.961 1.00 0.00 C ATOM 727 CG ASP A 47 2.691 -6.089 -7.658 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.187 -4.991 -7.485 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.675 -6.286 -8.351 1.00 0.00 O ATOM 0 H ASP A 47 0.252 -5.884 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 47 0.399 -7.442 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.186 -7.215 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.543 -8.213 -7.278 1.00 0.00 H new ATOM 734 N ASP A 48 -1.045 -9.174 -7.304 1.00 0.00 N ATOM 735 CA ASP A 48 -1.737 -10.368 -6.722 1.00 0.00 C ATOM 736 C ASP A 48 -0.807 -11.593 -6.676 1.00 0.00 C ATOM 737 O ASP A 48 -1.168 -12.627 -6.147 1.00 0.00 O ATOM 738 CB ASP A 48 -2.922 -10.636 -7.651 1.00 0.00 C ATOM 739 CG ASP A 48 -3.787 -11.755 -7.067 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.124 -11.667 -5.898 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.098 -12.680 -7.798 1.00 0.00 O ATOM 0 H ASP A 48 -1.372 -8.895 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.047 -10.183 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.515 -9.729 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.565 -10.918 -8.641 1.00 0.00 H new ATOM 746 N ALA A 49 0.382 -11.485 -7.215 1.00 0.00 N ATOM 747 CA ALA A 49 1.330 -12.637 -7.192 1.00 0.00 C ATOM 748 C ALA A 49 2.183 -12.576 -5.924 1.00 0.00 C ATOM 749 O ALA A 49 2.622 -13.588 -5.412 1.00 0.00 O ATOM 750 CB ALA A 49 2.201 -12.461 -8.436 1.00 0.00 C ATOM 0 H ALA A 49 0.736 -10.644 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 49 0.819 -13.600 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.926 -13.273 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.572 -12.477 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.727 -11.508 -8.380 1.00 0.00 H new ATOM 756 N THR A 50 2.406 -11.392 -5.410 1.00 0.00 N ATOM 757 CA THR A 50 3.214 -11.250 -4.165 1.00 0.00 C ATOM 758 C THR A 50 2.460 -10.398 -3.138 1.00 0.00 C ATOM 759 O THR A 50 3.006 -10.025 -2.118 1.00 0.00 O ATOM 760 CB THR A 50 4.498 -10.545 -4.604 1.00 0.00 C ATOM 761 OG1 THR A 50 4.170 -9.296 -5.198 1.00 0.00 O ATOM 762 CG2 THR A 50 5.237 -11.417 -5.619 1.00 0.00 C ATOM 0 H THR A 50 2.061 -10.516 -5.802 1.00 0.00 H new ATOM 0 HA THR A 50 3.417 -12.212 -3.693 1.00 0.00 H new ATOM 0 HB THR A 50 5.138 -10.378 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.992 -8.841 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.152 -10.915 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.487 -12.375 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.600 -11.584 -6.487 1.00 0.00 H new ATOM 770 N LYS A 51 1.207 -10.077 -3.401 1.00 0.00 N ATOM 771 CA LYS A 51 0.415 -9.238 -2.442 1.00 0.00 C ATOM 772 C LYS A 51 1.162 -7.938 -2.133 1.00 0.00 C ATOM 773 O LYS A 51 1.203 -7.486 -1.005 1.00 0.00 O ATOM 774 CB LYS A 51 0.261 -10.089 -1.174 1.00 0.00 C ATOM 775 CG LYS A 51 -0.489 -11.380 -1.510 1.00 0.00 C ATOM 776 CD LYS A 51 -1.987 -11.177 -1.270 1.00 0.00 C ATOM 777 CE LYS A 51 -2.700 -12.530 -1.320 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.132 -12.201 -1.560 1.00 0.00 N ATOM 0 H LYS A 51 0.702 -10.362 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.555 -8.958 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.242 -10.323 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.281 -9.529 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.311 -11.657 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.119 -12.199 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.150 -10.704 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.400 -10.508 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.300 -13.158 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.572 -13.079 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.687 -13.079 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.487 -11.608 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.224 -11.685 -2.458 1.00 0.00 H new ATOM 792 N THR A 52 1.760 -7.341 -3.132 1.00 0.00 N ATOM 793 CA THR A 52 2.515 -6.071 -2.907 1.00 0.00 C ATOM 794 C THR A 52 2.008 -4.969 -3.842 1.00 0.00 C ATOM 795 O THR A 52 1.830 -5.182 -5.026 1.00 0.00 O ATOM 796 CB THR A 52 3.971 -6.416 -3.226 1.00 0.00 C ATOM 797 OG1 THR A 52 4.344 -7.584 -2.510 1.00 0.00 O ATOM 798 CG2 THR A 52 4.876 -5.252 -2.819 1.00 0.00 C ATOM 0 H THR A 52 1.758 -7.678 -4.095 1.00 0.00 H new ATOM 0 HA THR A 52 2.394 -5.698 -1.890 1.00 0.00 H new ATOM 0 HB THR A 52 4.077 -6.595 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.239 -8.369 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.913 -5.500 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.587 -4.357 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.774 -5.068 -1.749 1.00 0.00 H new ATOM 806 N PHE A 53 1.778 -3.791 -3.318 1.00 0.00 N ATOM 807 CA PHE A 53 1.288 -2.670 -4.174 1.00 0.00 C ATOM 808 C PHE A 53 2.488 -1.884 -4.733 1.00 0.00 C ATOM 809 O PHE A 53 3.622 -2.293 -4.565 1.00 0.00 O ATOM 810 CB PHE A 53 0.439 -1.807 -3.240 1.00 0.00 C ATOM 811 CG PHE A 53 -0.840 -2.539 -2.891 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.840 -3.504 -1.873 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.030 -2.247 -3.575 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.025 -4.175 -1.541 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.212 -2.920 -3.239 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.210 -3.882 -2.223 1.00 0.00 C ATOM 0 H PHE A 53 1.909 -3.558 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 53 0.710 -3.009 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.998 -1.578 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.206 -0.856 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.074 -3.730 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.035 -1.505 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.023 -4.919 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.128 -2.696 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.123 -4.398 -1.966 1.00 0.00 H new ATOM 826 N THR A 54 2.262 -0.762 -5.391 1.00 0.00 N ATOM 827 CA THR A 54 3.402 0.025 -5.944 1.00 0.00 C ATOM 828 C THR A 54 2.933 1.455 -6.114 1.00 0.00 C ATOM 829 O THR A 54 2.266 1.786 -7.076 1.00 0.00 O ATOM 830 CB THR A 54 3.735 -0.597 -7.305 1.00 0.00 C ATOM 831 OG1 THR A 54 3.458 -1.993 -7.288 1.00 0.00 O ATOM 832 CG2 THR A 54 5.217 -0.379 -7.615 1.00 0.00 C ATOM 0 H THR A 54 1.338 -0.366 -5.564 1.00 0.00 H new ATOM 0 HA THR A 54 4.280 0.014 -5.299 1.00 0.00 H new ATOM 0 HB THR A 54 3.123 -0.122 -8.071 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.202 -2.287 -8.187 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.455 -0.821 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.430 0.690 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.824 -0.850 -6.842 1.00 0.00 H new ATOM 840 N VAL A 55 3.250 2.297 -5.175 1.00 0.00 N ATOM 841 CA VAL A 55 2.784 3.709 -5.268 1.00 0.00 C ATOM 842 C VAL A 55 3.905 4.636 -5.740 1.00 0.00 C ATOM 843 O VAL A 55 4.848 4.924 -5.029 1.00 0.00 O ATOM 844 CB VAL A 55 2.251 4.083 -3.866 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.285 3.779 -2.779 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.894 5.571 -3.822 1.00 0.00 C ATOM 0 H VAL A 55 3.808 2.073 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 55 1.995 3.821 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 55 1.361 3.482 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.880 4.053 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.520 2.715 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.192 4.352 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.519 5.826 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.782 6.165 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.126 5.783 -4.566 1.00 0.00 H new ATOM 856 N THR A 56 3.778 5.118 -6.945 1.00 0.00 N ATOM 857 CA THR A 56 4.788 6.051 -7.507 1.00 0.00 C ATOM 858 C THR A 56 4.397 7.480 -7.101 1.00 0.00 C ATOM 859 O THR A 56 3.313 7.708 -6.600 1.00 0.00 O ATOM 860 CB THR A 56 4.706 5.810 -9.034 1.00 0.00 C ATOM 861 OG1 THR A 56 5.572 4.739 -9.379 1.00 0.00 O ATOM 862 CG2 THR A 56 5.112 7.058 -9.834 1.00 0.00 C ATOM 0 H THR A 56 3.004 4.900 -7.572 1.00 0.00 H new ATOM 0 HA THR A 56 5.807 5.900 -7.152 1.00 0.00 H new ATOM 0 HB THR A 56 3.672 5.572 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.525 4.578 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.040 6.846 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.446 7.884 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.138 7.331 -9.587 1.00 0.00 H new ATOM 870 N GLU A 57 5.269 8.432 -7.310 1.00 0.00 N ATOM 871 CA GLU A 57 4.947 9.842 -6.934 1.00 0.00 C ATOM 872 C GLU A 57 4.721 10.685 -8.192 1.00 0.00 C ATOM 873 O GLU A 57 4.882 10.150 -9.277 1.00 0.00 O ATOM 874 CB GLU A 57 6.178 10.338 -6.164 1.00 0.00 C ATOM 875 CG GLU A 57 5.736 11.058 -4.887 1.00 0.00 C ATOM 876 CD GLU A 57 5.066 12.384 -5.252 1.00 0.00 C ATOM 877 OE1 GLU A 57 5.783 13.331 -5.530 1.00 0.00 O ATOM 878 OE2 GLU A 57 3.846 12.431 -5.247 1.00 0.00 O ATOM 879 OXT GLU A 57 4.393 11.851 -8.050 1.00 0.00 O ATOM 0 H GLU A 57 6.191 8.294 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 57 4.038 9.915 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.824 9.497 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.762 11.013 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.043 10.431 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.597 11.239 -4.243 1.00 0.00 H new TER 886 GLU A 57