USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 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 1 THR OG1 : rot 144:sc= 0.968 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 168:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -0.756 USER MOD Set 2.2: A 53 THR OG1 : rot 141:sc= -0.0123 USER MOD Single : A 1 THR N :NH3+ 144:sc= -0.156 (180deg=-1.33!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 1.09 (180deg=0.165) USER MOD Single : A 8 ASN : amide:sc= -1.58! C(o=-1.6!,f=-7.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 39:sc= -0.586 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.82 K(o=-0.82,f=-1.9!) USER MOD Single : A 37 ASN : amide:sc= -0.044 K(o=-0.044,f=-4.1!) USER MOD Single : A 45 TYR OH : rot -110:sc= -0.448 USER MOD Single : A 49 THR OG1 : rot -53:sc= 0.813 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.92 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 15.608 1.606 4.527 1.00 0.00 N ATOM 2 CA THR A 1 14.496 2.183 3.716 1.00 0.00 C ATOM 3 C THR A 1 13.143 1.698 4.248 1.00 0.00 C ATOM 4 O THR A 1 13.034 0.620 4.800 1.00 0.00 O ATOM 5 CB THR A 1 14.732 1.677 2.287 1.00 0.00 C ATOM 6 OG1 THR A 1 13.687 2.146 1.446 1.00 0.00 O ATOM 7 CG2 THR A 1 14.755 0.144 2.264 1.00 0.00 C ATOM 0 H1 THR A 1 16.418 1.399 3.908 1.00 0.00 H new ATOM 0 H2 THR A 1 15.896 2.289 5.257 1.00 0.00 H new ATOM 0 H3 THR A 1 15.287 0.728 4.982 1.00 0.00 H new ATOM 0 HA THR A 1 14.479 3.272 3.759 1.00 0.00 H new ATOM 0 HB THR A 1 15.692 2.050 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 1 14.049 2.355 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.923 -0.202 1.244 1.00 0.00 H new ATOM 0 HG22 THR A 1 15.558 -0.218 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.801 -0.240 2.625 1.00 0.00 H new ATOM 17 N THR A 2 12.115 2.492 4.086 1.00 0.00 N ATOM 18 CA THR A 2 10.766 2.090 4.580 1.00 0.00 C ATOM 19 C THR A 2 9.682 2.574 3.611 1.00 0.00 C ATOM 20 O THR A 2 9.624 3.738 3.263 1.00 0.00 O ATOM 21 CB THR A 2 10.622 2.781 5.935 1.00 0.00 C ATOM 22 OG1 THR A 2 11.695 2.388 6.780 1.00 0.00 O ATOM 23 CG2 THR A 2 9.292 2.383 6.577 1.00 0.00 C ATOM 0 H THR A 2 12.154 3.404 3.631 1.00 0.00 H new ATOM 0 HA THR A 2 10.659 1.008 4.660 1.00 0.00 H new ATOM 0 HB THR A 2 10.644 3.862 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.606 2.831 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.192 2.877 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.470 2.685 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.265 1.302 6.718 1.00 0.00 H new ATOM 31 N PHE A 3 8.826 1.685 3.175 1.00 0.00 N ATOM 32 CA PHE A 3 7.741 2.081 2.226 1.00 0.00 C ATOM 33 C PHE A 3 6.444 2.348 2.996 1.00 0.00 C ATOM 34 O PHE A 3 6.302 1.951 4.137 1.00 0.00 O ATOM 35 CB PHE A 3 7.580 0.882 1.288 1.00 0.00 C ATOM 36 CG PHE A 3 8.872 0.659 0.535 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.371 1.663 -0.304 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.573 -0.546 0.681 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.571 1.464 -0.996 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.773 -0.744 -0.013 1.00 0.00 C ATOM 41 CZ PHE A 3 11.272 0.261 -0.851 1.00 0.00 C ATOM 0 H PHE A 3 8.832 0.699 3.436 1.00 0.00 H new ATOM 0 HA PHE A 3 7.977 2.993 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.320 -0.009 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.764 1.061 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.830 2.591 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.188 -1.321 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.956 2.239 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.314 -1.672 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.198 0.108 -1.386 1.00 0.00 H new ATOM 51 N LYS A 4 5.501 3.021 2.382 1.00 0.00 N ATOM 52 CA LYS A 4 4.213 3.317 3.080 1.00 0.00 C ATOM 53 C LYS A 4 3.031 3.170 2.123 1.00 0.00 C ATOM 54 O LYS A 4 3.153 3.400 0.938 1.00 0.00 O ATOM 55 CB LYS A 4 4.326 4.771 3.539 1.00 0.00 C ATOM 56 CG LYS A 4 3.121 5.117 4.416 1.00 0.00 C ATOM 57 CD LYS A 4 3.279 6.532 4.977 1.00 0.00 C ATOM 58 CE LYS A 4 1.899 7.190 5.116 1.00 0.00 C ATOM 59 NZ LYS A 4 1.798 7.583 6.549 1.00 0.00 N ATOM 0 H LYS A 4 5.569 3.377 1.429 1.00 0.00 H new ATOM 0 HA LYS A 4 4.044 2.630 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.251 4.918 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.365 5.435 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.203 5.047 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.035 4.400 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.775 6.496 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.911 7.127 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.808 8.057 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.103 6.498 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.799 7.719 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.207 6.834 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.318 8.470 6.703 1.00 0.00 H new ATOM 73 N LEU A 5 1.886 2.809 2.642 1.00 0.00 N ATOM 74 CA LEU A 5 0.675 2.665 1.783 1.00 0.00 C ATOM 75 C LEU A 5 -0.562 3.102 2.569 1.00 0.00 C ATOM 76 O LEU A 5 -0.650 2.898 3.766 1.00 0.00 O ATOM 77 CB LEU A 5 0.590 1.177 1.427 1.00 0.00 C ATOM 78 CG LEU A 5 -0.049 1.011 0.033 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.854 0.155 -0.863 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.417 0.332 0.170 1.00 0.00 C ATOM 0 H LEU A 5 1.738 2.607 3.631 1.00 0.00 H new ATOM 0 HA LEU A 5 0.730 3.281 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.586 0.734 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.002 0.648 2.174 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.171 1.996 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.393 0.044 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.824 0.639 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.987 -0.828 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.866 0.216 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.292 -0.649 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.067 0.945 0.795 1.00 0.00 H new ATOM 92 N ILE A 6 -1.509 3.709 1.907 1.00 0.00 N ATOM 93 CA ILE A 6 -2.741 4.173 2.608 1.00 0.00 C ATOM 94 C ILE A 6 -3.957 3.385 2.111 1.00 0.00 C ATOM 95 O ILE A 6 -4.183 3.258 0.922 1.00 0.00 O ATOM 96 CB ILE A 6 -2.846 5.658 2.243 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.639 6.406 2.834 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.153 6.255 2.787 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.658 6.324 4.364 1.00 0.00 C ATOM 0 H ILE A 6 -1.483 3.905 0.906 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.703 4.023 3.687 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.849 5.762 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.713 5.976 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.659 7.449 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.211 7.310 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.002 5.724 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.175 6.155 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.798 6.858 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.575 6.776 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.614 5.280 4.673 1.00 0.00 H new ATOM 111 N ILE A 7 -4.738 2.858 3.019 1.00 0.00 N ATOM 112 CA ILE A 7 -5.943 2.075 2.616 1.00 0.00 C ATOM 113 C ILE A 7 -7.102 3.024 2.294 1.00 0.00 C ATOM 114 O ILE A 7 -7.613 3.709 3.161 1.00 0.00 O ATOM 115 CB ILE A 7 -6.277 1.202 3.831 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.091 0.284 4.145 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.508 0.344 3.528 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.247 -0.288 5.555 1.00 0.00 C ATOM 0 H ILE A 7 -4.592 2.937 4.025 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.768 1.474 1.724 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.482 1.845 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.041 -0.525 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.157 0.840 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.742 -0.275 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.356 0.991 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.303 -0.296 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.403 -0.941 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.276 0.528 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.174 -0.859 5.616 1.00 0.00 H new ATOM 130 N ASN A 8 -7.517 3.065 1.054 1.00 0.00 N ATOM 131 CA ASN A 8 -8.644 3.963 0.666 1.00 0.00 C ATOM 132 C ASN A 8 -9.894 3.132 0.369 1.00 0.00 C ATOM 133 O ASN A 8 -10.515 3.274 -0.667 1.00 0.00 O ATOM 134 CB ASN A 8 -8.165 4.684 -0.595 1.00 0.00 C ATOM 135 CG ASN A 8 -7.162 5.773 -0.211 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.458 5.648 0.771 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.067 6.844 -0.950 1.00 0.00 N ATOM 0 H ASN A 8 -7.122 2.514 0.292 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.906 4.665 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.702 3.973 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.013 5.125 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.401 7.577 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.658 6.949 -1.775 1.00 0.00 H new ATOM 144 N GLY A 9 -10.261 2.267 1.278 1.00 0.00 N ATOM 145 CA GLY A 9 -11.468 1.417 1.066 1.00 0.00 C ATOM 146 C GLY A 9 -12.723 2.229 1.384 1.00 0.00 C ATOM 147 O GLY A 9 -12.679 3.189 2.129 1.00 0.00 O ATOM 0 H GLY A 9 -9.774 2.113 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.501 1.064 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.421 0.534 1.704 1.00 0.00 H new ATOM 151 N LYS A 10 -13.844 1.851 0.820 1.00 0.00 N ATOM 152 CA LYS A 10 -15.114 2.596 1.077 1.00 0.00 C ATOM 153 C LYS A 10 -15.397 2.680 2.582 1.00 0.00 C ATOM 154 O LYS A 10 -15.782 3.716 3.093 1.00 0.00 O ATOM 155 CB LYS A 10 -16.206 1.786 0.374 1.00 0.00 C ATOM 156 CG LYS A 10 -15.954 1.792 -1.136 1.00 0.00 C ATOM 157 CD LYS A 10 -17.153 1.174 -1.857 1.00 0.00 C ATOM 158 CE LYS A 10 -18.260 2.222 -1.999 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.820 2.007 -3.362 1.00 0.00 N ATOM 0 H LYS A 10 -13.933 1.054 0.190 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.063 3.621 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.212 0.762 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.186 2.211 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.793 2.812 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.049 1.230 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.852 0.812 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.522 0.313 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.025 2.095 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.864 3.232 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.586 2.689 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.071 2.142 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.195 1.040 -3.435 1.00 0.00 H new ATOM 173 N THR A 11 -15.209 1.595 3.290 1.00 0.00 N ATOM 174 CA THR A 11 -15.465 1.601 4.762 1.00 0.00 C ATOM 175 C THR A 11 -14.171 1.325 5.539 1.00 0.00 C ATOM 176 O THR A 11 -14.035 1.715 6.683 1.00 0.00 O ATOM 177 CB THR A 11 -16.476 0.476 4.991 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.467 0.518 3.974 1.00 0.00 O ATOM 179 CG2 THR A 11 -17.138 0.652 6.359 1.00 0.00 C ATOM 0 H THR A 11 -14.889 0.704 2.911 1.00 0.00 H new ATOM 0 HA THR A 11 -15.836 2.566 5.107 1.00 0.00 H new ATOM 0 HB THR A 11 -15.963 -0.485 4.960 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.115 -0.203 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.858 -0.150 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.377 0.619 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.651 1.613 6.394 1.00 0.00 H new ATOM 187 N LEU A 12 -13.226 0.652 4.929 1.00 0.00 N ATOM 188 CA LEU A 12 -11.944 0.346 5.633 1.00 0.00 C ATOM 189 C LEU A 12 -10.841 1.311 5.188 1.00 0.00 C ATOM 190 O LEU A 12 -10.699 1.608 4.017 1.00 0.00 O ATOM 191 CB LEU A 12 -11.600 -1.086 5.221 1.00 0.00 C ATOM 192 CG LEU A 12 -12.639 -2.048 5.798 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.782 -3.260 4.877 1.00 0.00 C ATOM 194 CD2 LEU A 12 -12.187 -2.513 7.184 1.00 0.00 C ATOM 0 H LEU A 12 -13.288 0.302 3.973 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.035 0.452 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.578 -1.167 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.606 -1.350 5.581 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.599 -1.539 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.523 -3.945 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.103 -2.930 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.822 -3.770 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.927 -3.199 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.226 -3.022 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.085 -1.650 7.842 1.00 0.00 H new ATOM 206 N LYS A 13 -10.059 1.796 6.120 1.00 0.00 N ATOM 207 CA LYS A 13 -8.956 2.740 5.770 1.00 0.00 C ATOM 208 C LYS A 13 -7.865 2.690 6.844 1.00 0.00 C ATOM 209 O LYS A 13 -7.948 1.921 7.784 1.00 0.00 O ATOM 210 CB LYS A 13 -9.611 4.122 5.736 1.00 0.00 C ATOM 211 CG LYS A 13 -10.361 4.301 4.414 1.00 0.00 C ATOM 212 CD LYS A 13 -10.513 5.792 4.111 1.00 0.00 C ATOM 213 CE LYS A 13 -11.458 5.978 2.921 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.830 7.420 2.948 1.00 0.00 N ATOM 0 H LYS A 13 -10.139 1.577 7.113 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.483 2.492 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.299 4.230 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.853 4.898 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.819 3.809 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.342 3.829 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.904 6.313 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.540 6.230 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.969 5.714 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.338 5.341 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.478 7.626 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.299 7.641 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.973 8.001 2.853 1.00 0.00 H new ATOM 228 N GLY A 14 -6.846 3.504 6.715 1.00 0.00 N ATOM 229 CA GLY A 14 -5.753 3.507 7.728 1.00 0.00 C ATOM 230 C GLY A 14 -4.408 3.740 7.039 1.00 0.00 C ATOM 231 O GLY A 14 -4.345 4.245 5.934 1.00 0.00 O ATOM 0 H GLY A 14 -6.727 4.167 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.933 4.287 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.738 2.557 8.263 1.00 0.00 H new ATOM 235 N GLU A 15 -3.331 3.378 7.690 1.00 0.00 N ATOM 236 CA GLU A 15 -1.978 3.576 7.086 1.00 0.00 C ATOM 237 C GLU A 15 -1.117 2.331 7.319 1.00 0.00 C ATOM 238 O GLU A 15 -1.357 1.571 8.239 1.00 0.00 O ATOM 239 CB GLU A 15 -1.379 4.781 7.822 1.00 0.00 C ATOM 240 CG GLU A 15 -2.306 5.994 7.689 1.00 0.00 C ATOM 241 CD GLU A 15 -1.573 7.253 8.155 1.00 0.00 C ATOM 242 OE1 GLU A 15 -0.374 7.330 7.944 1.00 0.00 O ATOM 243 OE2 GLU A 15 -2.224 8.120 8.715 1.00 0.00 O ATOM 0 H GLU A 15 -3.331 2.952 8.617 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.027 3.742 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.234 4.538 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.397 5.017 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.625 6.109 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.206 5.844 8.285 1.00 0.00 H new ATOM 250 N THR A 16 -0.118 2.114 6.496 1.00 0.00 N ATOM 251 CA THR A 16 0.753 0.911 6.683 1.00 0.00 C ATOM 252 C THR A 16 2.115 1.108 6.008 1.00 0.00 C ATOM 253 O THR A 16 2.223 1.753 4.983 1.00 0.00 O ATOM 254 CB THR A 16 -0.011 -0.246 6.029 1.00 0.00 C ATOM 255 OG1 THR A 16 0.754 -1.437 6.142 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.264 0.058 4.549 1.00 0.00 C ATOM 0 H THR A 16 0.130 2.713 5.709 1.00 0.00 H new ATOM 0 HA THR A 16 0.957 0.722 7.737 1.00 0.00 H new ATOM 0 HB THR A 16 -0.969 -0.372 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.267 -2.179 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.807 -0.771 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.854 0.970 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.689 0.191 4.037 1.00 0.00 H new ATOM 264 N THR A 17 3.151 0.544 6.577 1.00 0.00 N ATOM 265 CA THR A 17 4.513 0.678 5.977 1.00 0.00 C ATOM 266 C THR A 17 5.250 -0.659 6.047 1.00 0.00 C ATOM 267 O THR A 17 4.927 -1.511 6.855 1.00 0.00 O ATOM 268 CB THR A 17 5.238 1.715 6.833 1.00 0.00 C ATOM 269 OG1 THR A 17 5.178 1.325 8.198 1.00 0.00 O ATOM 270 CG2 THR A 17 4.578 3.083 6.663 1.00 0.00 C ATOM 0 H THR A 17 3.111 -0.006 7.435 1.00 0.00 H new ATOM 0 HA THR A 17 4.466 0.975 4.929 1.00 0.00 H new ATOM 0 HB THR A 17 6.279 1.779 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.644 1.988 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.100 3.818 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.627 3.383 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.535 3.025 6.975 1.00 0.00 H new ATOM 278 N THR A 18 6.237 -0.849 5.209 1.00 0.00 N ATOM 279 CA THR A 18 6.996 -2.123 5.224 1.00 0.00 C ATOM 280 C THR A 18 8.485 -1.837 4.943 1.00 0.00 C ATOM 281 O THR A 18 8.841 -0.798 4.420 1.00 0.00 O ATOM 282 CB THR A 18 6.310 -2.981 4.124 1.00 0.00 C ATOM 283 OG1 THR A 18 5.559 -4.009 4.751 1.00 0.00 O ATOM 284 CG2 THR A 18 7.328 -3.623 3.178 1.00 0.00 C ATOM 0 H THR A 18 6.547 -0.170 4.514 1.00 0.00 H new ATOM 0 HA THR A 18 6.983 -2.646 6.180 1.00 0.00 H new ATOM 0 HB THR A 18 5.670 -2.325 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.128 -3.654 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.804 -4.213 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.910 -2.843 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.995 -4.270 3.747 1.00 0.00 H new ATOM 292 N GLU A 19 9.341 -2.768 5.274 1.00 0.00 N ATOM 293 CA GLU A 19 10.798 -2.587 5.018 1.00 0.00 C ATOM 294 C GLU A 19 11.292 -3.715 4.111 1.00 0.00 C ATOM 295 O GLU A 19 11.238 -4.876 4.473 1.00 0.00 O ATOM 296 CB GLU A 19 11.459 -2.671 6.393 1.00 0.00 C ATOM 297 CG GLU A 19 12.927 -2.255 6.277 1.00 0.00 C ATOM 298 CD GLU A 19 13.763 -3.046 7.285 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.355 -3.124 8.432 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.798 -3.559 6.893 1.00 0.00 O ATOM 0 H GLU A 19 9.089 -3.653 5.714 1.00 0.00 H new ATOM 0 HA GLU A 19 11.027 -1.643 4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.940 -2.022 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.387 -3.687 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.289 -2.438 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.029 -1.186 6.463 1.00 0.00 H new ATOM 307 N ALA A 20 11.754 -3.388 2.930 1.00 0.00 N ATOM 308 CA ALA A 20 12.230 -4.450 1.994 1.00 0.00 C ATOM 309 C ALA A 20 13.305 -3.908 1.050 1.00 0.00 C ATOM 310 O ALA A 20 13.656 -2.744 1.090 1.00 0.00 O ATOM 311 CB ALA A 20 10.985 -4.850 1.204 1.00 0.00 C ATOM 0 H ALA A 20 11.822 -2.434 2.575 1.00 0.00 H new ATOM 0 HA ALA A 20 12.680 -5.289 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.243 -5.630 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.224 -5.224 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.598 -3.982 0.670 1.00 0.00 H new ATOM 317 N VAL A 21 13.829 -4.755 0.201 1.00 0.00 N ATOM 318 CA VAL A 21 14.888 -4.315 -0.761 1.00 0.00 C ATOM 319 C VAL A 21 14.373 -3.171 -1.642 1.00 0.00 C ATOM 320 O VAL A 21 15.095 -2.242 -1.952 1.00 0.00 O ATOM 321 CB VAL A 21 15.204 -5.552 -1.614 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.723 -6.675 -0.714 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.939 -6.029 -2.344 1.00 0.00 C ATOM 0 H VAL A 21 13.568 -5.739 0.132 1.00 0.00 H new ATOM 0 HA VAL A 21 15.773 -3.942 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 21 15.964 -5.289 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.947 -7.553 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.629 -6.344 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.964 -6.929 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.175 -6.907 -2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.172 -6.286 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.571 -5.233 -2.992 1.00 0.00 H new ATOM 333 N ASP A 22 13.131 -3.239 -2.047 1.00 0.00 N ATOM 334 CA ASP A 22 12.557 -2.165 -2.910 1.00 0.00 C ATOM 335 C ASP A 22 11.032 -2.144 -2.766 1.00 0.00 C ATOM 336 O ASP A 22 10.436 -3.080 -2.267 1.00 0.00 O ATOM 337 CB ASP A 22 12.962 -2.548 -4.336 1.00 0.00 C ATOM 338 CG ASP A 22 12.432 -1.505 -5.322 1.00 0.00 C ATOM 339 OD1 ASP A 22 11.307 -1.657 -5.768 1.00 0.00 O ATOM 340 OD2 ASP A 22 13.161 -0.571 -5.615 1.00 0.00 O ATOM 0 H ASP A 22 12.487 -3.996 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 22 12.917 -1.172 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.047 -2.614 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.565 -3.532 -4.585 1.00 0.00 H new ATOM 345 N ALA A 23 10.400 -1.084 -3.202 1.00 0.00 N ATOM 346 CA ALA A 23 8.911 -0.999 -3.094 1.00 0.00 C ATOM 347 C ALA A 23 8.254 -2.138 -3.882 1.00 0.00 C ATOM 348 O ALA A 23 7.136 -2.528 -3.602 1.00 0.00 O ATOM 349 CB ALA A 23 8.537 0.358 -3.695 1.00 0.00 C ATOM 0 H ALA A 23 10.850 -0.274 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 23 8.571 -1.090 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.456 0.490 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.024 1.153 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.864 0.399 -4.734 1.00 0.00 H new ATOM 355 N ALA A 24 8.941 -2.676 -4.862 1.00 0.00 N ATOM 356 CA ALA A 24 8.358 -3.796 -5.666 1.00 0.00 C ATOM 357 C ALA A 24 8.043 -4.987 -4.757 1.00 0.00 C ATOM 358 O ALA A 24 6.987 -5.585 -4.848 1.00 0.00 O ATOM 359 CB ALA A 24 9.440 -4.170 -6.683 1.00 0.00 C ATOM 0 H ALA A 24 9.879 -2.388 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 24 7.427 -3.509 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.083 -4.987 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.667 -3.306 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.341 -4.483 -6.156 1.00 0.00 H new ATOM 365 N THR A 25 8.950 -5.328 -3.876 1.00 0.00 N ATOM 366 CA THR A 25 8.708 -6.474 -2.950 1.00 0.00 C ATOM 367 C THR A 25 7.767 -6.038 -1.822 1.00 0.00 C ATOM 368 O THR A 25 6.857 -6.759 -1.454 1.00 0.00 O ATOM 369 CB THR A 25 10.098 -6.850 -2.404 1.00 0.00 C ATOM 370 OG1 THR A 25 10.853 -7.469 -3.435 1.00 0.00 O ATOM 371 CG2 THR A 25 9.970 -7.818 -1.217 1.00 0.00 C ATOM 0 H THR A 25 9.849 -4.861 -3.759 1.00 0.00 H new ATOM 0 HA THR A 25 8.235 -7.323 -3.444 1.00 0.00 H new ATOM 0 HB THR A 25 10.599 -5.944 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.739 -7.709 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.963 -8.072 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.395 -7.344 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.461 -8.726 -1.541 1.00 0.00 H new ATOM 379 N ALA A 26 7.985 -4.872 -1.263 1.00 0.00 N ATOM 380 CA ALA A 26 7.103 -4.407 -0.151 1.00 0.00 C ATOM 381 C ALA A 26 5.663 -4.293 -0.644 1.00 0.00 C ATOM 382 O ALA A 26 4.808 -5.054 -0.247 1.00 0.00 O ATOM 383 CB ALA A 26 7.627 -3.030 0.265 1.00 0.00 C ATOM 0 H ALA A 26 8.730 -4.228 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 26 7.114 -5.105 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.017 -2.639 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.661 -3.119 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.577 -2.350 -0.585 1.00 0.00 H new ATOM 389 N GLU A 27 5.397 -3.346 -1.517 1.00 0.00 N ATOM 390 CA GLU A 27 4.006 -3.151 -2.061 1.00 0.00 C ATOM 391 C GLU A 27 3.352 -4.497 -2.413 1.00 0.00 C ATOM 392 O GLU A 27 2.153 -4.668 -2.297 1.00 0.00 O ATOM 393 CB GLU A 27 4.199 -2.297 -3.320 1.00 0.00 C ATOM 394 CG GLU A 27 2.843 -1.989 -3.963 1.00 0.00 C ATOM 395 CD GLU A 27 3.022 -1.790 -5.470 1.00 0.00 C ATOM 396 OE1 GLU A 27 4.074 -1.315 -5.867 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.103 -2.115 -6.203 1.00 0.00 O ATOM 0 H GLU A 27 6.090 -2.692 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 27 3.347 -2.678 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.708 -1.368 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.836 -2.823 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.146 -2.805 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.413 -1.093 -3.516 1.00 0.00 H new ATOM 404 N LYS A 28 4.148 -5.455 -2.804 1.00 0.00 N ATOM 405 CA LYS A 28 3.606 -6.811 -3.127 1.00 0.00 C ATOM 406 C LYS A 28 3.036 -7.408 -1.829 1.00 0.00 C ATOM 407 O LYS A 28 1.911 -7.870 -1.786 1.00 0.00 O ATOM 408 CB LYS A 28 4.838 -7.573 -3.701 1.00 0.00 C ATOM 409 CG LYS A 28 4.893 -9.058 -3.296 1.00 0.00 C ATOM 410 CD LYS A 28 6.335 -9.554 -3.441 1.00 0.00 C ATOM 411 CE LYS A 28 6.521 -10.833 -2.622 1.00 0.00 C ATOM 412 NZ LYS A 28 7.852 -11.361 -3.032 1.00 0.00 N ATOM 0 H LYS A 28 5.157 -5.358 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 28 2.790 -6.842 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.823 -7.503 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.749 -7.079 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.552 -9.182 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.226 -9.646 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.561 -9.745 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.030 -8.787 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.491 -10.625 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.729 -11.553 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.052 -12.240 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.848 -11.556 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.586 -10.657 -2.817 1.00 0.00 H new ATOM 426 N VAL A 29 3.801 -7.360 -0.769 1.00 0.00 N ATOM 427 CA VAL A 29 3.311 -7.879 0.544 1.00 0.00 C ATOM 428 C VAL A 29 2.165 -6.983 1.019 1.00 0.00 C ATOM 429 O VAL A 29 1.231 -7.439 1.651 1.00 0.00 O ATOM 430 CB VAL A 29 4.533 -7.790 1.486 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.102 -7.814 2.963 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.460 -8.976 1.216 1.00 0.00 C ATOM 0 H VAL A 29 4.748 -6.982 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 29 2.930 -8.899 0.501 1.00 0.00 H new ATOM 0 HB VAL A 29 5.048 -6.849 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.984 -7.750 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.446 -6.967 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.570 -8.742 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.325 -8.920 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.923 -9.907 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.794 -8.948 0.179 1.00 0.00 H new ATOM 442 N LEU A 30 2.233 -5.710 0.722 1.00 0.00 N ATOM 443 CA LEU A 30 1.144 -4.793 1.160 1.00 0.00 C ATOM 444 C LEU A 30 -0.139 -5.192 0.438 1.00 0.00 C ATOM 445 O LEU A 30 -1.220 -5.115 0.982 1.00 0.00 O ATOM 446 CB LEU A 30 1.604 -3.381 0.757 1.00 0.00 C ATOM 447 CG LEU A 30 2.694 -2.796 1.708 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.048 -2.012 2.844 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.600 -3.864 2.336 1.00 0.00 C ATOM 0 H LEU A 30 2.991 -5.271 0.199 1.00 0.00 H new ATOM 0 HA LEU A 30 0.947 -4.835 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.995 -3.410 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.742 -2.714 0.748 1.00 0.00 H new ATOM 0 HG LEU A 30 3.309 -2.153 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.824 -1.612 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.461 -1.191 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.396 -2.672 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.333 -3.384 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.995 -4.556 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.117 -4.412 1.548 1.00 0.00 H new ATOM 461 N LYS A 31 -0.011 -5.670 -0.777 1.00 0.00 N ATOM 462 CA LYS A 31 -1.212 -6.135 -1.535 1.00 0.00 C ATOM 463 C LYS A 31 -1.840 -7.292 -0.768 1.00 0.00 C ATOM 464 O LYS A 31 -3.038 -7.362 -0.577 1.00 0.00 O ATOM 465 CB LYS A 31 -0.672 -6.646 -2.872 1.00 0.00 C ATOM 466 CG LYS A 31 -1.761 -6.541 -3.947 1.00 0.00 C ATOM 467 CD LYS A 31 -2.795 -7.662 -3.759 1.00 0.00 C ATOM 468 CE LYS A 31 -2.101 -9.030 -3.829 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.851 -9.799 -4.862 1.00 0.00 N ATOM 0 H LYS A 31 0.875 -5.758 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.957 -5.352 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.201 -6.065 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.346 -7.681 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.251 -5.569 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.313 -6.611 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.297 -7.548 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.562 -7.594 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.051 -8.925 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.130 -9.536 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.431 -10.745 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.846 -9.890 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.800 -9.299 -5.772 1.00 0.00 H new ATOM 483 N GLN A 32 -1.010 -8.195 -0.311 1.00 0.00 N ATOM 484 CA GLN A 32 -1.512 -9.361 0.476 1.00 0.00 C ATOM 485 C GLN A 32 -2.305 -8.858 1.686 1.00 0.00 C ATOM 486 O GLN A 32 -3.352 -9.381 2.019 1.00 0.00 O ATOM 487 CB GLN A 32 -0.262 -10.108 0.924 1.00 0.00 C ATOM 488 CG GLN A 32 0.054 -11.226 -0.073 1.00 0.00 C ATOM 489 CD GLN A 32 0.675 -12.410 0.669 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.869 -12.624 0.604 1.00 0.00 O ATOM 491 NE2 GLN A 32 -0.091 -13.196 1.376 1.00 0.00 N ATOM 0 H GLN A 32 0.000 -8.174 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.175 -10.004 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.580 -9.419 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.413 -10.527 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.856 -11.540 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.740 -10.862 -0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.094 -13.017 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.313 -13.989 1.874 1.00 0.00 H new ATOM 500 N TYR A 33 -1.821 -7.818 2.322 1.00 0.00 N ATOM 501 CA TYR A 33 -2.552 -7.238 3.490 1.00 0.00 C ATOM 502 C TYR A 33 -3.907 -6.710 3.004 1.00 0.00 C ATOM 503 O TYR A 33 -4.922 -6.864 3.656 1.00 0.00 O ATOM 504 CB TYR A 33 -1.659 -6.093 3.987 1.00 0.00 C ATOM 505 CG TYR A 33 -2.354 -5.354 5.097 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.362 -5.892 6.382 1.00 0.00 C ATOM 507 CD2 TYR A 33 -3.000 -4.141 4.836 1.00 0.00 C ATOM 508 CE1 TYR A 33 -3.014 -5.222 7.415 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.652 -3.465 5.870 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.661 -4.006 7.163 1.00 0.00 C ATOM 511 OH TYR A 33 -4.307 -3.341 8.186 1.00 0.00 O ATOM 0 H TYR A 33 -0.950 -7.346 2.081 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.744 -7.959 4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.707 -6.489 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.436 -5.411 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.862 -6.829 6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.995 -3.728 3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.020 -5.641 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.149 -2.526 5.673 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.702 -2.514 7.840 1.00 0.00 H new ATOM 521 N ILE A 34 -3.915 -6.102 1.848 1.00 0.00 N ATOM 522 CA ILE A 34 -5.187 -5.567 1.275 1.00 0.00 C ATOM 523 C ILE A 34 -6.115 -6.736 0.921 1.00 0.00 C ATOM 524 O ILE A 34 -7.325 -6.606 0.928 1.00 0.00 O ATOM 525 CB ILE A 34 -4.761 -4.808 0.010 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.785 -3.669 0.397 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.999 -4.261 -0.722 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.531 -2.437 0.922 1.00 0.00 C ATOM 0 H ILE A 34 -3.088 -5.951 1.270 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.727 -4.921 1.967 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.247 -5.487 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.092 -4.027 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.188 -3.390 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.685 -3.725 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.650 -5.088 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.540 -3.582 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.812 -1.660 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.205 -2.064 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.107 -2.710 1.806 1.00 0.00 H new ATOM 540 N ASN A 35 -5.548 -7.878 0.611 1.00 0.00 N ATOM 541 CA ASN A 35 -6.380 -9.069 0.253 1.00 0.00 C ATOM 542 C ASN A 35 -7.319 -9.430 1.407 1.00 0.00 C ATOM 543 O ASN A 35 -8.385 -9.981 1.201 1.00 0.00 O ATOM 544 CB ASN A 35 -5.377 -10.199 0.007 1.00 0.00 C ATOM 545 CG ASN A 35 -6.089 -11.379 -0.658 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.208 -11.702 -0.311 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.483 -12.041 -1.605 1.00 0.00 N ATOM 0 H ASN A 35 -4.541 -8.036 0.591 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.007 -8.882 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.564 -9.846 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.930 -10.515 0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.948 -12.830 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.544 -11.770 -1.896 1.00 0.00 H new ATOM 554 N ASP A 36 -6.929 -9.124 2.619 1.00 0.00 N ATOM 555 CA ASP A 36 -7.794 -9.447 3.794 1.00 0.00 C ATOM 556 C ASP A 36 -8.911 -8.409 3.930 1.00 0.00 C ATOM 557 O ASP A 36 -10.078 -8.748 4.004 1.00 0.00 O ATOM 558 CB ASP A 36 -6.860 -9.391 5.005 1.00 0.00 C ATOM 559 CG ASP A 36 -6.082 -10.704 5.110 1.00 0.00 C ATOM 560 OD1 ASP A 36 -5.654 -11.200 4.081 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.927 -11.190 6.218 1.00 0.00 O ATOM 0 H ASP A 36 -6.047 -8.664 2.845 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.275 -10.420 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.169 -8.554 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.436 -9.224 5.915 1.00 0.00 H new ATOM 566 N ASN A 37 -8.560 -7.148 3.962 1.00 0.00 N ATOM 567 CA ASN A 37 -9.600 -6.079 4.092 1.00 0.00 C ATOM 568 C ASN A 37 -10.554 -6.124 2.896 1.00 0.00 C ATOM 569 O ASN A 37 -11.727 -5.825 3.017 1.00 0.00 O ATOM 570 CB ASN A 37 -8.824 -4.760 4.109 1.00 0.00 C ATOM 571 CG ASN A 37 -7.886 -4.734 5.316 1.00 0.00 C ATOM 572 OD1 ASN A 37 -6.991 -5.549 5.422 1.00 0.00 O ATOM 573 ND2 ASN A 37 -8.053 -3.826 6.238 1.00 0.00 N ATOM 0 H ASN A 37 -7.599 -6.811 3.904 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.206 -6.203 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.251 -4.651 3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.516 -3.919 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.432 -3.801 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.804 -3.142 6.150 1.00 0.00 H new ATOM 580 N GLY A 38 -10.056 -6.497 1.744 1.00 0.00 N ATOM 581 CA GLY A 38 -10.926 -6.566 0.533 1.00 0.00 C ATOM 582 C GLY A 38 -10.992 -5.189 -0.129 1.00 0.00 C ATOM 583 O GLY A 38 -12.023 -4.784 -0.633 1.00 0.00 O ATOM 0 H GLY A 38 -9.082 -6.757 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.531 -7.300 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.927 -6.896 0.810 1.00 0.00 H new ATOM 587 N ILE A 39 -9.899 -4.468 -0.132 1.00 0.00 N ATOM 588 CA ILE A 39 -9.891 -3.113 -0.762 1.00 0.00 C ATOM 589 C ILE A 39 -8.825 -3.051 -1.862 1.00 0.00 C ATOM 590 O ILE A 39 -7.791 -2.431 -1.700 1.00 0.00 O ATOM 591 CB ILE A 39 -9.555 -2.142 0.378 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.610 -2.255 1.493 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.526 -0.705 -0.155 1.00 0.00 C ATOM 594 CD1 ILE A 39 -12.006 -1.924 0.946 1.00 0.00 C ATOM 0 H ILE A 39 -9.011 -4.760 0.275 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.844 -2.868 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.576 -2.398 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.604 -3.263 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.361 -1.575 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.287 -0.020 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.769 -0.621 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.502 -0.451 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.740 -2.009 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.012 -0.907 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.259 -2.621 0.147 1.00 0.00 H new ATOM 606 N ASP A 40 -9.073 -3.689 -2.977 1.00 0.00 N ATOM 607 CA ASP A 40 -8.081 -3.671 -4.094 1.00 0.00 C ATOM 608 C ASP A 40 -8.701 -3.027 -5.337 1.00 0.00 C ATOM 609 O ASP A 40 -9.610 -3.569 -5.936 1.00 0.00 O ATOM 610 CB ASP A 40 -7.753 -5.141 -4.357 1.00 0.00 C ATOM 611 CG ASP A 40 -6.675 -5.238 -5.439 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.507 -5.202 -5.088 1.00 0.00 O ATOM 613 OD2 ASP A 40 -7.036 -5.346 -6.599 1.00 0.00 O ATOM 0 H ASP A 40 -9.922 -4.223 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.190 -3.094 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.406 -5.617 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.650 -5.674 -4.673 1.00 0.00 H new ATOM 618 N GLY A 41 -8.216 -1.873 -5.723 1.00 0.00 N ATOM 619 CA GLY A 41 -8.777 -1.187 -6.925 1.00 0.00 C ATOM 620 C GLY A 41 -7.655 -0.481 -7.690 1.00 0.00 C ATOM 621 O GLY A 41 -7.089 -1.028 -8.618 1.00 0.00 O ATOM 0 H GLY A 41 -7.456 -1.377 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.270 -1.912 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.534 -0.464 -6.622 1.00 0.00 H new ATOM 625 N GLU A 42 -7.338 0.732 -7.313 1.00 0.00 N ATOM 626 CA GLU A 42 -6.258 1.484 -8.022 1.00 0.00 C ATOM 627 C GLU A 42 -5.265 2.073 -7.017 1.00 0.00 C ATOM 628 O GLU A 42 -5.626 2.873 -6.174 1.00 0.00 O ATOM 629 CB GLU A 42 -6.985 2.605 -8.775 1.00 0.00 C ATOM 630 CG GLU A 42 -7.025 2.284 -10.271 1.00 0.00 C ATOM 631 CD GLU A 42 -8.338 2.791 -10.870 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.298 2.038 -10.866 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.361 3.924 -11.321 1.00 0.00 O ATOM 0 H GLU A 42 -7.781 1.235 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.685 0.843 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.999 2.716 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.476 3.555 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.179 2.751 -10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.935 1.209 -10.425 1.00 0.00 H new ATOM 640 N TRP A 43 -4.016 1.690 -7.111 1.00 0.00 N ATOM 641 CA TRP A 43 -2.992 2.233 -6.170 1.00 0.00 C ATOM 642 C TRP A 43 -2.253 3.394 -6.838 1.00 0.00 C ATOM 643 O TRP A 43 -2.327 3.577 -8.039 1.00 0.00 O ATOM 644 CB TRP A 43 -2.002 1.091 -5.915 1.00 0.00 C ATOM 645 CG TRP A 43 -2.614 -0.021 -5.115 1.00 0.00 C ATOM 646 CD1 TRP A 43 -3.919 -0.396 -5.108 1.00 0.00 C ATOM 647 CD2 TRP A 43 -1.934 -0.921 -4.201 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.064 -1.483 -4.269 1.00 0.00 N ATOM 649 CE2 TRP A 43 -2.873 -1.835 -3.679 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.600 -1.027 -3.783 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.503 -2.824 -2.774 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.222 -2.019 -2.866 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.171 -2.916 -2.362 1.00 0.00 C ATOM 0 H TRP A 43 -3.663 1.025 -7.799 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.446 2.592 -5.246 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.649 0.699 -6.869 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.130 1.479 -5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.713 0.078 -5.667 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.947 -1.966 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.140 -0.342 -4.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.240 -3.516 -2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.807 -2.091 -2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.874 -3.678 -1.656 1.00 0.00 H new ATOM 664 N THR A 44 -1.522 4.161 -6.074 1.00 0.00 N ATOM 665 CA THR A 44 -0.748 5.295 -6.660 1.00 0.00 C ATOM 666 C THR A 44 0.512 5.531 -5.830 1.00 0.00 C ATOM 667 O THR A 44 0.464 5.597 -4.616 1.00 0.00 O ATOM 668 CB THR A 44 -1.671 6.514 -6.604 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.027 6.782 -5.257 1.00 0.00 O ATOM 670 CG2 THR A 44 -2.933 6.246 -7.427 1.00 0.00 C ATOM 0 H THR A 44 -1.427 4.051 -5.064 1.00 0.00 H new ATOM 0 HA THR A 44 -0.435 5.093 -7.685 1.00 0.00 H new ATOM 0 HB THR A 44 -1.150 7.378 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.617 7.564 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.587 7.117 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.657 6.050 -8.463 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.455 5.380 -7.021 1.00 0.00 H new ATOM 678 N TYR A 45 1.640 5.646 -6.478 1.00 0.00 N ATOM 679 CA TYR A 45 2.917 5.865 -5.737 1.00 0.00 C ATOM 680 C TYR A 45 3.110 7.360 -5.447 1.00 0.00 C ATOM 681 O TYR A 45 2.453 8.202 -6.030 1.00 0.00 O ATOM 682 CB TYR A 45 4.008 5.353 -6.683 1.00 0.00 C ATOM 683 CG TYR A 45 5.366 5.522 -6.041 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.654 4.881 -4.831 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.336 6.321 -6.658 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.911 5.038 -4.237 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.594 6.479 -6.064 1.00 0.00 C ATOM 688 CZ TYR A 45 7.882 5.837 -4.854 1.00 0.00 C ATOM 689 OH TYR A 45 9.122 5.992 -4.268 1.00 0.00 O ATOM 0 H TYR A 45 1.733 5.598 -7.493 1.00 0.00 H new ATOM 0 HA TYR A 45 2.935 5.352 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.835 4.303 -6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.971 5.900 -7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.906 4.265 -4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.114 6.815 -7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.133 4.543 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.342 7.096 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 45 9.213 6.908 -3.932 1.00 0.00 H new ATOM 699 N ASP A 46 4.014 7.691 -4.559 1.00 0.00 N ATOM 700 CA ASP A 46 4.264 9.131 -4.236 1.00 0.00 C ATOM 701 C ASP A 46 5.766 9.373 -4.068 1.00 0.00 C ATOM 702 O ASP A 46 6.430 8.693 -3.308 1.00 0.00 O ATOM 703 CB ASP A 46 3.533 9.405 -2.915 1.00 0.00 C ATOM 704 CG ASP A 46 2.056 9.015 -3.039 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.764 7.836 -2.927 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.245 9.903 -3.245 1.00 0.00 O ATOM 0 H ASP A 46 4.590 7.026 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 46 3.909 9.788 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.000 8.840 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.618 10.460 -2.656 1.00 0.00 H new ATOM 711 N ASP A 47 6.301 10.341 -4.769 1.00 0.00 N ATOM 712 CA ASP A 47 7.763 10.638 -4.651 1.00 0.00 C ATOM 713 C ASP A 47 8.082 11.297 -3.299 1.00 0.00 C ATOM 714 O ASP A 47 9.234 11.490 -2.959 1.00 0.00 O ATOM 715 CB ASP A 47 8.069 11.601 -5.801 1.00 0.00 C ATOM 716 CG ASP A 47 9.569 11.900 -5.832 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.342 10.957 -5.798 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.919 13.067 -5.891 1.00 0.00 O ATOM 0 H ASP A 47 5.789 10.939 -5.418 1.00 0.00 H new ATOM 0 HA ASP A 47 8.365 9.731 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.755 11.164 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.506 12.526 -5.675 1.00 0.00 H new ATOM 723 N ALA A 48 7.077 11.643 -2.524 1.00 0.00 N ATOM 724 CA ALA A 48 7.329 12.288 -1.195 1.00 0.00 C ATOM 725 C ALA A 48 8.237 11.404 -0.333 1.00 0.00 C ATOM 726 O ALA A 48 9.385 11.725 -0.090 1.00 0.00 O ATOM 727 CB ALA A 48 5.946 12.415 -0.549 1.00 0.00 C ATOM 0 H ALA A 48 6.093 11.506 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 48 7.828 13.252 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.044 12.880 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.305 13.030 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.504 11.425 -0.439 1.00 0.00 H new ATOM 733 N THR A 49 7.724 10.294 0.126 1.00 0.00 N ATOM 734 CA THR A 49 8.536 9.371 0.974 1.00 0.00 C ATOM 735 C THR A 49 8.313 7.927 0.518 1.00 0.00 C ATOM 736 O THR A 49 8.203 7.022 1.322 1.00 0.00 O ATOM 737 CB THR A 49 8.006 9.576 2.399 1.00 0.00 C ATOM 738 OG1 THR A 49 8.724 8.737 3.293 1.00 0.00 O ATOM 739 CG2 THR A 49 6.515 9.225 2.452 1.00 0.00 C ATOM 0 H THR A 49 6.769 9.984 -0.051 1.00 0.00 H new ATOM 0 HA THR A 49 9.606 9.569 0.909 1.00 0.00 H new ATOM 0 HB THR A 49 8.139 10.618 2.689 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.696 7.813 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.142 9.372 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.965 9.869 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.376 8.184 2.162 1.00 0.00 H new ATOM 747 N LYS A 50 8.222 7.716 -0.771 1.00 0.00 N ATOM 748 CA LYS A 50 7.980 6.341 -1.312 1.00 0.00 C ATOM 749 C LYS A 50 6.698 5.754 -0.714 1.00 0.00 C ATOM 750 O LYS A 50 6.649 4.599 -0.336 1.00 0.00 O ATOM 751 CB LYS A 50 9.203 5.501 -0.918 1.00 0.00 C ATOM 752 CG LYS A 50 10.474 6.134 -1.497 1.00 0.00 C ATOM 753 CD LYS A 50 11.611 6.029 -0.479 1.00 0.00 C ATOM 754 CE LYS A 50 11.976 4.558 -0.270 1.00 0.00 C ATOM 755 NZ LYS A 50 12.832 4.544 0.948 1.00 0.00 N ATOM 0 H LYS A 50 8.306 8.445 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 50 7.850 6.354 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.279 5.438 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.091 4.482 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.754 5.631 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.291 7.179 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.481 6.584 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.308 6.477 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.085 3.946 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.509 4.157 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.955 3.564 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.761 4.954 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.378 5.104 1.698 1.00 0.00 H new ATOM 769 N THR A 51 5.660 6.548 -0.634 1.00 0.00 N ATOM 770 CA THR A 51 4.368 6.053 -0.069 1.00 0.00 C ATOM 771 C THR A 51 3.574 5.331 -1.161 1.00 0.00 C ATOM 772 O THR A 51 4.083 5.063 -2.233 1.00 0.00 O ATOM 773 CB THR A 51 3.609 7.308 0.399 1.00 0.00 C ATOM 774 OG1 THR A 51 4.530 8.319 0.788 1.00 0.00 O ATOM 775 CG2 THR A 51 2.709 6.961 1.591 1.00 0.00 C ATOM 0 H THR A 51 5.652 7.522 -0.937 1.00 0.00 H new ATOM 0 HA THR A 51 4.521 5.351 0.750 1.00 0.00 H new ATOM 0 HB THR A 51 2.997 7.673 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.038 9.114 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.175 7.854 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.990 6.197 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.320 6.585 2.411 1.00 0.00 H new ATOM 783 N TRP A 52 2.332 5.018 -0.896 1.00 0.00 N ATOM 784 CA TRP A 52 1.497 4.316 -1.913 1.00 0.00 C ATOM 785 C TRP A 52 0.014 4.588 -1.659 1.00 0.00 C ATOM 786 O TRP A 52 -0.343 5.394 -0.820 1.00 0.00 O ATOM 787 CB TRP A 52 1.783 2.833 -1.710 1.00 0.00 C ATOM 788 CG TRP A 52 3.072 2.459 -2.359 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.266 2.365 -1.735 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.304 2.113 -3.745 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.225 1.995 -2.663 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.676 1.826 -3.920 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.457 2.028 -4.853 1.00 0.00 C ATOM 794 CZ2 TRP A 52 5.191 1.466 -5.166 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.965 1.664 -6.111 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.332 1.385 -6.268 1.00 0.00 C ATOM 0 H TRP A 52 1.859 5.220 -0.015 1.00 0.00 H new ATOM 0 HA TRP A 52 1.726 4.651 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.826 2.607 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.971 2.239 -2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.444 2.548 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.213 1.864 -2.446 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.405 2.244 -4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.243 1.252 -5.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.302 1.599 -6.961 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.720 1.108 -7.237 1.00 0.00 H new ATOM 807 N THR A 53 -0.851 3.909 -2.371 1.00 0.00 N ATOM 808 CA THR A 53 -2.317 4.109 -2.169 1.00 0.00 C ATOM 809 C THR A 53 -3.093 2.878 -2.653 1.00 0.00 C ATOM 810 O THR A 53 -2.531 1.961 -3.219 1.00 0.00 O ATOM 811 CB THR A 53 -2.684 5.339 -3.004 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.689 6.340 -2.844 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.034 5.890 -2.543 1.00 0.00 C ATOM 0 H THR A 53 -0.603 3.224 -3.085 1.00 0.00 H new ATOM 0 HA THR A 53 -2.566 4.250 -1.117 1.00 0.00 H new ATOM 0 HB THR A 53 -2.747 5.053 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.534 6.787 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.292 6.765 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.801 5.126 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.972 6.172 -1.492 1.00 0.00 H new ATOM 821 N VAL A 54 -4.381 2.853 -2.419 1.00 0.00 N ATOM 822 CA VAL A 54 -5.216 1.683 -2.844 1.00 0.00 C ATOM 823 C VAL A 54 -6.700 2.015 -2.639 1.00 0.00 C ATOM 824 O VAL A 54 -7.255 1.794 -1.579 1.00 0.00 O ATOM 825 CB VAL A 54 -4.766 0.507 -1.944 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.773 0.937 -0.476 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.705 -0.696 -2.114 1.00 0.00 C ATOM 0 H VAL A 54 -4.895 3.598 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.090 1.433 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.757 0.221 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.455 0.103 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.089 1.774 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.780 1.241 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.371 -1.512 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.719 -0.408 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.692 -1.023 -3.154 1.00 0.00 H new ATOM 837 N THR A 55 -7.339 2.545 -3.650 1.00 0.00 N ATOM 838 CA THR A 55 -8.785 2.899 -3.531 1.00 0.00 C ATOM 839 C THR A 55 -9.657 1.745 -4.036 1.00 0.00 C ATOM 840 O THR A 55 -9.392 1.167 -5.073 1.00 0.00 O ATOM 841 CB THR A 55 -8.966 4.134 -4.417 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.851 5.001 -4.257 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.245 4.868 -4.016 1.00 0.00 C ATOM 0 H THR A 55 -6.919 2.749 -4.557 1.00 0.00 H new ATOM 0 HA THR A 55 -9.078 3.091 -2.499 1.00 0.00 H new ATOM 0 HB THR A 55 -9.038 3.824 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.966 5.791 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.373 5.747 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.100 4.204 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.175 5.177 -2.973 1.00 0.00 H new ATOM 851 N GLU A 56 -10.693 1.409 -3.309 1.00 0.00 N ATOM 852 CA GLU A 56 -11.588 0.291 -3.744 1.00 0.00 C ATOM 853 C GLU A 56 -12.225 0.620 -5.097 1.00 0.00 C ATOM 854 O GLU A 56 -12.873 1.649 -5.190 1.00 0.00 O ATOM 855 CB GLU A 56 -12.662 0.186 -2.659 1.00 0.00 C ATOM 856 CG GLU A 56 -13.155 -1.260 -2.566 1.00 0.00 C ATOM 857 CD GLU A 56 -14.172 -1.525 -3.677 1.00 0.00 C ATOM 858 OE1 GLU A 56 -13.752 -1.877 -4.767 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.355 -1.372 -3.420 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.054 -0.164 -6.016 1.00 0.00 O ATOM 0 H GLU A 56 -10.958 1.860 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.043 -0.645 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.256 0.505 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.494 0.851 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.315 -1.948 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.610 -1.438 -1.592 1.00 0.00 H new TER 867 GLU A 56