USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 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 50 THR OG1 : rot 180:sc= 0.0654 USER MOD Set 1.2: A 52 THR OG1 : rot 118:sc= -0.307 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00278) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0115 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 114:sc= 0.925 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0707 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -167:sc= -1.13 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.027 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -2.33 USER MOD Single : A 36 ASN : amide:sc= -0.743 K(o=-0.74,f=-3.1!) USER MOD Single : A 38 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.32 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -25:sc= -0.0818 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.273 1.427 3.245 1.00 0.00 N ATOM 2 CA MET A 1 -15.924 1.954 2.890 1.00 0.00 C ATOM 3 C MET A 1 -14.972 0.797 2.576 1.00 0.00 C ATOM 4 O MET A 1 -14.987 -0.226 3.235 1.00 0.00 O ATOM 5 CB MET A 1 -15.456 2.713 4.133 1.00 0.00 C ATOM 6 CG MET A 1 -15.838 4.189 4.004 1.00 0.00 C ATOM 7 SD MET A 1 -15.224 5.098 5.443 1.00 0.00 S ATOM 8 CE MET A 1 -16.628 4.768 6.536 1.00 0.00 C ATOM 0 H1 MET A 1 -17.701 2.032 3.974 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.878 1.423 2.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.182 0.457 3.610 1.00 0.00 H new ATOM 0 HA MET A 1 -15.948 2.594 2.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.911 2.285 5.026 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.376 2.614 4.247 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.416 4.606 3.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.921 4.291 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.475 5.275 7.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.544 5.135 6.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.712 3.695 6.706 1.00 0.00 H new ATOM 20 N THR A 2 -14.147 0.953 1.571 1.00 0.00 N ATOM 21 CA THR A 2 -13.190 -0.135 1.205 1.00 0.00 C ATOM 22 C THR A 2 -12.003 -0.143 2.172 1.00 0.00 C ATOM 23 O THR A 2 -11.784 0.801 2.907 1.00 0.00 O ATOM 24 CB THR A 2 -12.725 0.202 -0.214 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.858 0.377 -1.053 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.859 -0.937 -0.755 1.00 0.00 C ATOM 0 H THR A 2 -14.095 1.788 0.988 1.00 0.00 H new ATOM 0 HA THR A 2 -13.649 -1.122 1.258 1.00 0.00 H new ATOM 0 HB THR A 2 -12.140 1.122 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.904 1.310 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.529 -0.695 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.989 -1.070 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.441 -1.859 -0.774 1.00 0.00 H new ATOM 34 N THR A 3 -11.239 -1.204 2.172 1.00 0.00 N ATOM 35 CA THR A 3 -10.066 -1.293 3.076 1.00 0.00 C ATOM 36 C THR A 3 -8.917 -2.016 2.369 1.00 0.00 C ATOM 37 O THR A 3 -8.810 -3.227 2.419 1.00 0.00 O ATOM 38 CB THR A 3 -10.554 -2.096 4.282 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.676 -1.444 4.860 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.433 -2.200 5.318 1.00 0.00 C ATOM 0 H THR A 3 -11.384 -2.019 1.576 1.00 0.00 H new ATOM 0 HA THR A 3 -9.691 -0.313 3.371 1.00 0.00 H new ATOM 0 HB THR A 3 -10.840 -3.097 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.991 -1.958 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.783 -2.773 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.573 -2.701 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.143 -1.200 5.642 1.00 0.00 H new ATOM 48 N PHE A 4 -8.063 -1.280 1.705 1.00 0.00 N ATOM 49 CA PHE A 4 -6.919 -1.914 0.981 1.00 0.00 C ATOM 50 C PHE A 4 -5.779 -2.224 1.958 1.00 0.00 C ATOM 51 O PHE A 4 -5.842 -1.887 3.125 1.00 0.00 O ATOM 52 CB PHE A 4 -6.464 -0.875 -0.051 1.00 0.00 C ATOM 53 CG PHE A 4 -7.609 -0.515 -0.971 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.827 -1.251 -2.142 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.447 0.560 -0.653 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.886 -0.911 -2.994 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.504 0.900 -1.505 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.724 0.165 -2.675 1.00 0.00 C ATOM 0 H PHE A 4 -8.109 -0.264 1.633 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.207 -2.855 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.102 0.019 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.631 -1.270 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.180 -2.080 -2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.278 1.127 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.056 -1.479 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.150 1.730 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.540 0.427 -3.332 1.00 0.00 H new ATOM 68 N LYS A 5 -4.738 -2.859 1.481 1.00 0.00 N ATOM 69 CA LYS A 5 -3.582 -3.193 2.368 1.00 0.00 C ATOM 70 C LYS A 5 -2.264 -2.917 1.636 1.00 0.00 C ATOM 71 O LYS A 5 -2.147 -3.147 0.447 1.00 0.00 O ATOM 72 CB LYS A 5 -3.730 -4.686 2.673 1.00 0.00 C ATOM 73 CG LYS A 5 -4.322 -4.867 4.073 1.00 0.00 C ATOM 74 CD LYS A 5 -4.325 -6.351 4.446 1.00 0.00 C ATOM 75 CE LYS A 5 -4.598 -6.498 5.945 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.075 -7.845 6.303 1.00 0.00 N ATOM 0 H LYS A 5 -4.639 -3.161 0.512 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.571 -2.595 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.374 -5.157 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.759 -5.178 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.740 -4.301 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.338 -4.473 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.087 -6.880 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.366 -6.803 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.097 -5.716 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.663 -6.418 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.227 -8.018 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.575 -8.570 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.057 -7.889 6.093 1.00 0.00 H new ATOM 90 N LEU A 6 -1.276 -2.419 2.338 1.00 0.00 N ATOM 91 CA LEU A 6 0.036 -2.117 1.686 1.00 0.00 C ATOM 92 C LEU A 6 1.134 -3.008 2.271 1.00 0.00 C ATOM 93 O LEU A 6 1.659 -2.734 3.334 1.00 0.00 O ATOM 94 CB LEU A 6 0.304 -0.636 2.014 1.00 0.00 C ATOM 95 CG LEU A 6 1.512 -0.067 1.231 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.819 -0.559 1.854 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.467 -0.477 -0.253 1.00 0.00 C ATOM 0 H LEU A 6 -1.321 -2.208 3.335 1.00 0.00 H new ATOM 0 HA LEU A 6 0.021 -2.302 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.585 -0.049 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.486 -0.531 3.084 1.00 0.00 H new ATOM 0 HG LEU A 6 1.461 1.020 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.663 -0.153 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.876 -0.227 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.851 -1.648 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.330 -0.060 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.487 -1.564 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.552 -0.097 -0.708 1.00 0.00 H new ATOM 109 N ILE A 7 1.489 -4.069 1.585 1.00 0.00 N ATOM 110 CA ILE A 7 2.562 -4.967 2.108 1.00 0.00 C ATOM 111 C ILE A 7 3.879 -4.179 2.185 1.00 0.00 C ATOM 112 O ILE A 7 4.319 -3.597 1.210 1.00 0.00 O ATOM 113 CB ILE A 7 2.618 -6.167 1.124 1.00 0.00 C ATOM 114 CG1 ILE A 7 2.962 -7.433 1.908 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.662 -5.969 0.013 1.00 0.00 C ATOM 116 CD1 ILE A 7 1.703 -7.972 2.588 1.00 0.00 C ATOM 0 H ILE A 7 1.084 -4.349 0.692 1.00 0.00 H new ATOM 0 HA ILE A 7 2.373 -5.335 3.116 1.00 0.00 H new ATOM 0 HB ILE A 7 1.641 -6.249 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.377 -8.186 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.726 -7.215 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.660 -6.837 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.417 -5.076 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.650 -5.854 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.949 -8.875 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.307 -7.220 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.953 -8.206 1.832 1.00 0.00 H new ATOM 128 N ILE A 8 4.490 -4.139 3.336 1.00 0.00 N ATOM 129 CA ILE A 8 5.759 -3.370 3.479 1.00 0.00 C ATOM 130 C ILE A 8 6.970 -4.278 3.238 1.00 0.00 C ATOM 131 O ILE A 8 7.736 -4.549 4.144 1.00 0.00 O ATOM 132 CB ILE A 8 5.750 -2.846 4.922 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.512 -1.970 5.153 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.008 -2.011 5.172 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.006 -2.167 6.584 1.00 0.00 C ATOM 0 H ILE A 8 4.166 -4.605 4.184 1.00 0.00 H new ATOM 0 HA ILE A 8 5.830 -2.560 2.753 1.00 0.00 H new ATOM 0 HB ILE A 8 5.727 -3.694 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.759 -0.922 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.730 -2.232 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.000 -1.640 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.892 -2.629 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.029 -1.168 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.126 -1.544 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.743 -3.214 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.788 -1.883 7.289 1.00 0.00 H new ATOM 147 N ASN A 9 7.166 -4.734 2.022 1.00 0.00 N ATOM 148 CA ASN A 9 8.349 -5.604 1.740 1.00 0.00 C ATOM 149 C ASN A 9 9.541 -4.724 1.352 1.00 0.00 C ATOM 150 O ASN A 9 10.160 -4.912 0.323 1.00 0.00 O ATOM 151 CB ASN A 9 7.928 -6.502 0.577 1.00 0.00 C ATOM 152 CG ASN A 9 7.361 -7.812 1.126 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.801 -8.295 2.151 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.395 -8.412 0.485 1.00 0.00 N ATOM 0 H ASN A 9 6.564 -4.543 1.221 1.00 0.00 H new ATOM 0 HA ASN A 9 8.650 -6.198 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.180 -5.997 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.783 -6.705 -0.068 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.010 -9.285 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.025 -8.007 -0.375 1.00 0.00 H new ATOM 161 N GLY A 10 9.855 -3.757 2.178 1.00 0.00 N ATOM 162 CA GLY A 10 10.991 -2.842 1.881 1.00 0.00 C ATOM 163 C GLY A 10 12.189 -3.204 2.752 1.00 0.00 C ATOM 164 O GLY A 10 12.078 -3.971 3.691 1.00 0.00 O ATOM 0 H GLY A 10 9.366 -3.564 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.261 -2.913 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.695 -1.809 2.065 1.00 0.00 H new ATOM 168 N LYS A 11 13.330 -2.640 2.456 1.00 0.00 N ATOM 169 CA LYS A 11 14.545 -2.925 3.271 1.00 0.00 C ATOM 170 C LYS A 11 14.580 -2.026 4.518 1.00 0.00 C ATOM 171 O LYS A 11 15.544 -2.035 5.261 1.00 0.00 O ATOM 172 CB LYS A 11 15.722 -2.606 2.348 1.00 0.00 C ATOM 173 CG LYS A 11 17.033 -2.983 3.042 1.00 0.00 C ATOM 174 CD LYS A 11 18.083 -3.342 1.988 1.00 0.00 C ATOM 175 CE LYS A 11 19.479 -3.017 2.525 1.00 0.00 C ATOM 176 NZ LYS A 11 20.368 -4.057 1.935 1.00 0.00 N ATOM 0 H LYS A 11 13.472 -1.992 1.681 1.00 0.00 H new ATOM 0 HA LYS A 11 14.569 -3.955 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.623 -3.155 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.723 -1.545 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.385 -2.152 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.872 -3.827 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.015 -4.401 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.897 -2.785 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.793 -2.016 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.501 -3.050 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.345 -3.902 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.049 -4.999 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.332 -3.997 0.897 1.00 0.00 H new ATOM 190 N THR A 12 13.542 -1.250 4.756 1.00 0.00 N ATOM 191 CA THR A 12 13.530 -0.360 5.951 1.00 0.00 C ATOM 192 C THR A 12 12.438 -0.801 6.929 1.00 0.00 C ATOM 193 O THR A 12 12.568 -0.629 8.127 1.00 0.00 O ATOM 194 CB THR A 12 13.230 1.036 5.403 1.00 0.00 C ATOM 195 OG1 THR A 12 14.178 1.360 4.395 1.00 0.00 O ATOM 196 CG2 THR A 12 13.315 2.062 6.534 1.00 0.00 C ATOM 0 H THR A 12 12.708 -1.200 4.171 1.00 0.00 H new ATOM 0 HA THR A 12 14.473 -0.389 6.497 1.00 0.00 H new ATOM 0 HB THR A 12 12.226 1.051 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.987 2.254 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.101 3.056 6.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.588 1.813 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.317 2.050 6.962 1.00 0.00 H new ATOM 204 N LEU A 13 11.361 -1.366 6.432 1.00 0.00 N ATOM 205 CA LEU A 13 10.265 -1.812 7.348 1.00 0.00 C ATOM 206 C LEU A 13 9.739 -3.190 6.934 1.00 0.00 C ATOM 207 O LEU A 13 10.194 -3.774 5.969 1.00 0.00 O ATOM 208 CB LEU A 13 9.172 -0.753 7.205 1.00 0.00 C ATOM 209 CG LEU A 13 9.420 0.374 8.209 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.483 1.545 7.909 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.155 -0.141 9.626 1.00 0.00 C ATOM 0 H LEU A 13 11.196 -1.536 5.440 1.00 0.00 H new ATOM 0 HA LEU A 13 10.609 -1.908 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.166 -0.356 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.193 -1.200 7.378 1.00 0.00 H new ATOM 0 HG LEU A 13 10.454 0.710 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.662 2.347 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.671 1.912 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.448 1.212 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.331 0.661 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.121 -0.477 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.824 -0.974 9.841 1.00 0.00 H new ATOM 223 N LYS A 14 8.782 -3.710 7.664 1.00 0.00 N ATOM 224 CA LYS A 14 8.216 -5.052 7.326 1.00 0.00 C ATOM 225 C LYS A 14 6.881 -5.259 8.053 1.00 0.00 C ATOM 226 O LYS A 14 6.759 -4.982 9.231 1.00 0.00 O ATOM 227 CB LYS A 14 9.263 -6.063 7.816 1.00 0.00 C ATOM 228 CG LYS A 14 9.631 -7.021 6.680 1.00 0.00 C ATOM 229 CD LYS A 14 8.413 -7.869 6.309 1.00 0.00 C ATOM 230 CE LYS A 14 8.177 -8.926 7.390 1.00 0.00 C ATOM 231 NZ LYS A 14 7.152 -9.841 6.815 1.00 0.00 N ATOM 0 H LYS A 14 8.368 -3.261 8.481 1.00 0.00 H new ATOM 0 HA LYS A 14 8.017 -5.161 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.153 -5.539 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.871 -6.624 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.972 -6.457 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.455 -7.665 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.532 -7.235 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.572 -8.350 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.097 -9.462 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.826 -8.472 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.937 -10.594 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.286 -9.305 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.517 -10.264 5.938 1.00 0.00 H new ATOM 245 N GLY A 15 5.884 -5.746 7.357 1.00 0.00 N ATOM 246 CA GLY A 15 4.558 -5.975 7.999 1.00 0.00 C ATOM 247 C GLY A 15 3.440 -5.598 7.025 1.00 0.00 C ATOM 248 O GLY A 15 3.592 -5.702 5.823 1.00 0.00 O ATOM 0 H GLY A 15 5.934 -5.995 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.461 -7.020 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.476 -5.380 8.909 1.00 0.00 H new ATOM 252 N GLU A 16 2.318 -5.161 7.540 1.00 0.00 N ATOM 253 CA GLU A 16 1.180 -4.776 6.652 1.00 0.00 C ATOM 254 C GLU A 16 0.509 -3.502 7.171 1.00 0.00 C ATOM 255 O GLU A 16 0.577 -3.189 8.345 1.00 0.00 O ATOM 256 CB GLU A 16 0.210 -5.957 6.717 1.00 0.00 C ATOM 257 CG GLU A 16 0.894 -7.209 6.166 1.00 0.00 C ATOM 258 CD GLU A 16 1.534 -7.988 7.316 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.851 -8.221 8.300 1.00 0.00 O ATOM 260 OE2 GLU A 16 2.696 -8.339 7.194 1.00 0.00 O ATOM 0 H GLU A 16 2.141 -5.054 8.539 1.00 0.00 H new ATOM 0 HA GLU A 16 1.505 -4.570 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.106 -6.126 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.688 -5.736 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.168 -7.835 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.653 -6.930 5.435 1.00 0.00 H new ATOM 267 N THR A 17 -0.140 -2.768 6.303 1.00 0.00 N ATOM 268 CA THR A 17 -0.820 -1.511 6.734 1.00 0.00 C ATOM 269 C THR A 17 -2.292 -1.537 6.310 1.00 0.00 C ATOM 270 O THR A 17 -2.665 -2.227 5.380 1.00 0.00 O ATOM 271 CB THR A 17 -0.072 -0.389 6.013 1.00 0.00 C ATOM 272 OG1 THR A 17 1.307 -0.451 6.348 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.642 0.965 6.439 1.00 0.00 C ATOM 0 H THR A 17 -0.228 -2.987 5.311 1.00 0.00 H new ATOM 0 HA THR A 17 -0.803 -1.380 7.816 1.00 0.00 H new ATOM 0 HB THR A 17 -0.191 -0.507 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.750 0.375 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.107 1.763 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.700 1.012 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.525 1.086 7.516 1.00 0.00 H new ATOM 281 N THR A 18 -3.127 -0.790 6.988 1.00 0.00 N ATOM 282 CA THR A 18 -4.577 -0.766 6.631 1.00 0.00 C ATOM 283 C THR A 18 -5.159 0.631 6.864 1.00 0.00 C ATOM 284 O THR A 18 -4.778 1.325 7.788 1.00 0.00 O ATOM 285 CB THR A 18 -5.233 -1.780 7.570 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.885 -1.473 8.913 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.747 -3.188 7.225 1.00 0.00 C ATOM 0 H THR A 18 -2.866 -0.195 7.774 1.00 0.00 H new ATOM 0 HA THR A 18 -4.746 -1.010 5.582 1.00 0.00 H new ATOM 0 HB THR A 18 -6.316 -1.734 7.455 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.306 -2.121 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.215 -3.909 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.014 -3.423 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.664 -3.237 7.339 1.00 0.00 H new ATOM 295 N THR A 19 -6.082 1.043 6.033 1.00 0.00 N ATOM 296 CA THR A 19 -6.701 2.393 6.199 1.00 0.00 C ATOM 297 C THR A 19 -8.086 2.424 5.545 1.00 0.00 C ATOM 298 O THR A 19 -8.309 1.805 4.521 1.00 0.00 O ATOM 299 CB THR A 19 -5.744 3.365 5.497 1.00 0.00 C ATOM 300 OG1 THR A 19 -6.249 4.688 5.614 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.614 2.998 4.014 1.00 0.00 C ATOM 0 H THR A 19 -6.435 0.501 5.244 1.00 0.00 H new ATOM 0 HA THR A 19 -6.842 2.656 7.247 1.00 0.00 H new ATOM 0 HB THR A 19 -4.762 3.301 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.731 5.288 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.932 3.694 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.224 1.984 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.593 3.054 3.538 1.00 0.00 H new ATOM 309 N GLU A 20 -9.011 3.144 6.125 1.00 0.00 N ATOM 310 CA GLU A 20 -10.381 3.222 5.535 1.00 0.00 C ATOM 311 C GLU A 20 -10.369 4.151 4.319 1.00 0.00 C ATOM 312 O GLU A 20 -10.173 5.346 4.442 1.00 0.00 O ATOM 313 CB GLU A 20 -11.267 3.797 6.644 1.00 0.00 C ATOM 314 CG GLU A 20 -11.369 2.793 7.803 1.00 0.00 C ATOM 315 CD GLU A 20 -10.618 3.331 9.024 1.00 0.00 C ATOM 316 OE1 GLU A 20 -11.225 4.054 9.797 1.00 0.00 O ATOM 317 OE2 GLU A 20 -9.450 3.010 9.166 1.00 0.00 O ATOM 0 H GLU A 20 -8.877 3.681 6.982 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.743 2.251 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.851 4.739 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.260 4.016 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.415 2.620 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.951 1.832 7.502 1.00 0.00 H new ATOM 324 N ALA A 21 -10.575 3.607 3.147 1.00 0.00 N ATOM 325 CA ALA A 21 -10.575 4.448 1.914 1.00 0.00 C ATOM 326 C ALA A 21 -11.801 4.125 1.060 1.00 0.00 C ATOM 327 O ALA A 21 -12.236 2.991 0.994 1.00 0.00 O ATOM 328 CB ALA A 21 -9.292 4.066 1.175 1.00 0.00 C ATOM 0 H ALA A 21 -10.744 2.613 2.991 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.614 5.514 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.217 4.643 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.430 4.280 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.312 3.003 0.937 1.00 0.00 H new ATOM 334 N VAL A 22 -12.362 5.112 0.409 1.00 0.00 N ATOM 335 CA VAL A 22 -13.560 4.867 -0.441 1.00 0.00 C ATOM 336 C VAL A 22 -13.224 3.868 -1.557 1.00 0.00 C ATOM 337 O VAL A 22 -14.052 3.073 -1.959 1.00 0.00 O ATOM 338 CB VAL A 22 -13.932 6.240 -1.016 1.00 0.00 C ATOM 339 CG1 VAL A 22 -14.259 7.202 0.128 1.00 0.00 C ATOM 340 CG2 VAL A 22 -12.769 6.809 -1.839 1.00 0.00 C ATOM 0 H VAL A 22 -12.039 6.079 0.431 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.387 4.434 0.122 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.801 6.124 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.523 8.177 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.098 6.811 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.389 7.304 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.049 7.783 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.891 6.918 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.539 6.131 -2.661 1.00 0.00 H new ATOM 350 N ASP A 23 -12.008 3.898 -2.049 1.00 0.00 N ATOM 351 CA ASP A 23 -11.598 2.946 -3.132 1.00 0.00 C ATOM 352 C ASP A 23 -10.107 3.108 -3.444 1.00 0.00 C ATOM 353 O ASP A 23 -9.406 3.856 -2.789 1.00 0.00 O ATOM 354 CB ASP A 23 -12.450 3.300 -4.363 1.00 0.00 C ATOM 355 CG ASP A 23 -12.308 4.788 -4.711 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.297 5.373 -4.359 1.00 0.00 O ATOM 357 OD2 ASP A 23 -13.219 5.318 -5.327 1.00 0.00 O ATOM 0 H ASP A 23 -11.279 4.543 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.754 1.910 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.141 2.692 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.496 3.065 -4.167 1.00 0.00 H new ATOM 362 N ALA A 24 -9.620 2.407 -4.437 1.00 0.00 N ATOM 363 CA ALA A 24 -8.173 2.505 -4.800 1.00 0.00 C ATOM 364 C ALA A 24 -7.784 3.957 -5.110 1.00 0.00 C ATOM 365 O ALA A 24 -6.635 4.338 -4.985 1.00 0.00 O ATOM 366 CB ALA A 24 -8.009 1.633 -6.047 1.00 0.00 C ATOM 0 H ALA A 24 -10.166 1.768 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.531 2.177 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.969 1.656 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.294 0.607 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.647 2.014 -6.844 1.00 0.00 H new ATOM 372 N ALA A 25 -8.732 4.765 -5.516 1.00 0.00 N ATOM 373 CA ALA A 25 -8.422 6.195 -5.840 1.00 0.00 C ATOM 374 C ALA A 25 -7.815 6.903 -4.623 1.00 0.00 C ATOM 375 O ALA A 25 -7.075 7.859 -4.759 1.00 0.00 O ATOM 376 CB ALA A 25 -9.767 6.826 -6.206 1.00 0.00 C ATOM 0 H ALA A 25 -9.709 4.497 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.697 6.279 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.620 7.877 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.192 6.305 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.449 6.747 -5.359 1.00 0.00 H new ATOM 382 N THR A 26 -8.126 6.441 -3.438 1.00 0.00 N ATOM 383 CA THR A 26 -7.572 7.085 -2.209 1.00 0.00 C ATOM 384 C THR A 26 -6.579 6.149 -1.512 1.00 0.00 C ATOM 385 O THR A 26 -5.692 6.590 -0.806 1.00 0.00 O ATOM 386 CB THR A 26 -8.786 7.338 -1.314 1.00 0.00 C ATOM 387 OG1 THR A 26 -9.792 8.006 -2.063 1.00 0.00 O ATOM 388 CG2 THR A 26 -8.373 8.205 -0.124 1.00 0.00 C ATOM 0 H THR A 26 -8.740 5.645 -3.269 1.00 0.00 H new ATOM 0 HA THR A 26 -7.031 8.003 -2.437 1.00 0.00 H new ATOM 0 HB THR A 26 -9.174 6.387 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.322 8.574 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.239 8.385 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.601 7.692 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.984 9.157 -0.485 1.00 0.00 H new ATOM 396 N ALA A 27 -6.725 4.861 -1.702 1.00 0.00 N ATOM 397 CA ALA A 27 -5.791 3.890 -1.047 1.00 0.00 C ATOM 398 C ALA A 27 -4.348 4.154 -1.489 1.00 0.00 C ATOM 399 O ALA A 27 -3.476 4.392 -0.675 1.00 0.00 O ATOM 400 CB ALA A 27 -6.250 2.510 -1.520 1.00 0.00 C ATOM 0 H ALA A 27 -7.450 4.439 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.810 3.976 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.611 1.744 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.282 2.344 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.184 2.457 -2.607 1.00 0.00 H new ATOM 406 N GLU A 28 -4.092 4.113 -2.773 1.00 0.00 N ATOM 407 CA GLU A 28 -2.703 4.361 -3.278 1.00 0.00 C ATOM 408 C GLU A 28 -2.222 5.750 -2.856 1.00 0.00 C ATOM 409 O GLU A 28 -1.063 5.939 -2.548 1.00 0.00 O ATOM 410 CB GLU A 28 -2.806 4.270 -4.802 1.00 0.00 C ATOM 411 CG GLU A 28 -1.445 3.881 -5.384 1.00 0.00 C ATOM 412 CD GLU A 28 -1.284 4.509 -6.769 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.199 4.380 -7.566 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.249 5.108 -7.009 1.00 0.00 O ATOM 0 H GLU A 28 -4.785 3.918 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.989 3.643 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.558 3.532 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.129 5.226 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.646 4.219 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.364 2.796 -5.453 1.00 0.00 H new ATOM 421 N LYS A 29 -3.100 6.721 -2.833 1.00 0.00 N ATOM 422 CA LYS A 29 -2.683 8.100 -2.422 1.00 0.00 C ATOM 423 C LYS A 29 -2.159 8.078 -0.984 1.00 0.00 C ATOM 424 O LYS A 29 -1.164 8.703 -0.668 1.00 0.00 O ATOM 425 CB LYS A 29 -3.948 8.955 -2.524 1.00 0.00 C ATOM 426 CG LYS A 29 -4.385 9.050 -3.987 1.00 0.00 C ATOM 427 CD LYS A 29 -5.318 10.250 -4.164 1.00 0.00 C ATOM 428 CE LYS A 29 -5.493 10.550 -5.655 1.00 0.00 C ATOM 429 NZ LYS A 29 -4.536 11.654 -5.939 1.00 0.00 N ATOM 0 H LYS A 29 -4.085 6.621 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.884 8.494 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.745 8.517 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.759 9.951 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.513 9.156 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.893 8.133 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.286 10.041 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.907 11.121 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.275 9.672 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.517 10.847 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.597 11.916 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.773 12.478 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.569 11.340 -5.721 1.00 0.00 H new ATOM 443 N VAL A 30 -2.816 7.350 -0.116 1.00 0.00 N ATOM 444 CA VAL A 30 -2.356 7.266 1.302 1.00 0.00 C ATOM 445 C VAL A 30 -1.258 6.204 1.417 1.00 0.00 C ATOM 446 O VAL A 30 -0.285 6.377 2.126 1.00 0.00 O ATOM 447 CB VAL A 30 -3.596 6.860 2.105 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.233 6.728 3.586 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.681 7.929 1.946 1.00 0.00 C ATOM 0 H VAL A 30 -3.654 6.809 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.939 8.205 1.667 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.965 5.904 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.118 6.439 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.461 5.967 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.861 7.683 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.563 7.640 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.307 8.884 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.946 8.025 0.893 1.00 0.00 H new ATOM 459 N PHE A 31 -1.411 5.111 0.714 1.00 0.00 N ATOM 460 CA PHE A 31 -0.380 4.029 0.762 1.00 0.00 C ATOM 461 C PHE A 31 0.921 4.531 0.137 1.00 0.00 C ATOM 462 O PHE A 31 2.003 4.188 0.576 1.00 0.00 O ATOM 463 CB PHE A 31 -0.966 2.875 -0.068 1.00 0.00 C ATOM 464 CG PHE A 31 -1.880 1.976 0.764 1.00 0.00 C ATOM 465 CD1 PHE A 31 -2.311 2.340 2.057 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.299 0.757 0.219 1.00 0.00 C ATOM 467 CE1 PHE A 31 -3.147 1.487 2.785 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.136 -0.094 0.951 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.559 0.270 2.233 1.00 0.00 C ATOM 0 H PHE A 31 -2.208 4.920 0.107 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.152 3.716 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.527 3.282 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.154 2.279 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.995 3.279 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.975 0.471 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.475 1.769 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.455 -1.033 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.204 -0.388 2.797 1.00 0.00 H new ATOM 479 N LYS A 32 0.820 5.347 -0.883 1.00 0.00 N ATOM 480 CA LYS A 32 2.049 5.882 -1.539 1.00 0.00 C ATOM 481 C LYS A 32 2.751 6.860 -0.595 1.00 0.00 C ATOM 482 O LYS A 32 3.953 6.806 -0.418 1.00 0.00 O ATOM 483 CB LYS A 32 1.562 6.602 -2.801 1.00 0.00 C ATOM 484 CG LYS A 32 2.764 7.151 -3.574 1.00 0.00 C ATOM 485 CD LYS A 32 2.315 7.592 -4.969 1.00 0.00 C ATOM 486 CE LYS A 32 1.447 8.847 -4.855 1.00 0.00 C ATOM 487 NZ LYS A 32 0.764 8.963 -6.173 1.00 0.00 N ATOM 0 H LYS A 32 -0.061 5.665 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 32 2.764 5.096 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.996 5.914 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.888 7.415 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.201 7.993 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.538 6.388 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.184 7.794 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.754 6.792 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.726 8.756 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.053 9.728 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.149 9.802 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.476 9.055 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.189 8.113 -6.342 1.00 0.00 H new ATOM 501 N GLN A 33 2.006 7.747 0.020 1.00 0.00 N ATOM 502 CA GLN A 33 2.628 8.725 0.968 1.00 0.00 C ATOM 503 C GLN A 33 3.270 7.975 2.132 1.00 0.00 C ATOM 504 O GLN A 33 4.277 8.385 2.677 1.00 0.00 O ATOM 505 CB GLN A 33 1.480 9.607 1.459 1.00 0.00 C ATOM 506 CG GLN A 33 2.047 10.892 2.066 1.00 0.00 C ATOM 507 CD GLN A 33 2.194 11.952 0.972 1.00 0.00 C ATOM 508 OE1 GLN A 33 1.235 12.605 0.610 1.00 0.00 O ATOM 509 NE2 GLN A 33 3.362 12.152 0.426 1.00 0.00 N ATOM 0 H GLN A 33 0.996 7.836 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 33 3.410 9.320 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.812 9.847 0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.888 9.072 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.388 11.256 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.015 10.693 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.167 11.604 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.470 12.856 -0.304 1.00 0.00 H new ATOM 518 N TYR A 34 2.693 6.867 2.494 1.00 0.00 N ATOM 519 CA TYR A 34 3.253 6.044 3.610 1.00 0.00 C ATOM 520 C TYR A 34 4.600 5.458 3.166 1.00 0.00 C ATOM 521 O TYR A 34 5.586 5.527 3.875 1.00 0.00 O ATOM 522 CB TYR A 34 2.194 4.942 3.849 1.00 0.00 C ATOM 523 CG TYR A 34 2.785 3.767 4.603 1.00 0.00 C ATOM 524 CD1 TYR A 34 2.862 3.801 5.998 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.258 2.650 3.900 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.414 2.719 6.694 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.809 1.569 4.594 1.00 0.00 C ATOM 528 CZ TYR A 34 3.888 1.602 5.992 1.00 0.00 C ATOM 529 OH TYR A 34 4.432 0.537 6.679 1.00 0.00 O ATOM 0 H TYR A 34 1.849 6.489 2.064 1.00 0.00 H new ATOM 0 HA TYR A 34 3.441 6.608 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.357 5.355 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.798 4.601 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.496 4.661 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.197 2.625 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.475 2.745 7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.174 0.709 4.052 1.00 0.00 H new ATOM 0 HH TYR A 34 4.014 0.470 7.563 1.00 0.00 H new ATOM 539 N ALA A 35 4.633 4.878 1.997 1.00 0.00 N ATOM 540 CA ALA A 35 5.898 4.273 1.485 1.00 0.00 C ATOM 541 C ALA A 35 6.862 5.367 1.019 1.00 0.00 C ATOM 542 O ALA A 35 8.065 5.231 1.127 1.00 0.00 O ATOM 543 CB ALA A 35 5.465 3.400 0.308 1.00 0.00 C ATOM 0 H ALA A 35 3.833 4.796 1.370 1.00 0.00 H new ATOM 0 HA ALA A 35 6.422 3.700 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.339 2.917 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.766 2.640 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.980 4.020 -0.446 1.00 0.00 H new ATOM 549 N ASN A 36 6.340 6.449 0.499 1.00 0.00 N ATOM 550 CA ASN A 36 7.217 7.558 0.018 1.00 0.00 C ATOM 551 C ASN A 36 8.093 8.080 1.161 1.00 0.00 C ATOM 552 O ASN A 36 9.280 8.292 0.997 1.00 0.00 O ATOM 553 CB ASN A 36 6.261 8.652 -0.465 1.00 0.00 C ATOM 554 CG ASN A 36 7.057 9.740 -1.188 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.131 10.110 -0.757 1.00 0.00 O ATOM 556 ND2 ASN A 36 6.572 10.271 -2.276 1.00 0.00 N ATOM 0 H ASN A 36 5.339 6.612 0.387 1.00 0.00 H new ATOM 0 HA ASN A 36 7.890 7.229 -0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.513 8.227 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.724 9.081 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.094 10.997 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.670 9.960 -2.637 1.00 0.00 H new ATOM 563 N ASP A 37 7.512 8.288 2.316 1.00 0.00 N ATOM 564 CA ASP A 37 8.305 8.796 3.478 1.00 0.00 C ATOM 565 C ASP A 37 9.246 7.704 3.992 1.00 0.00 C ATOM 566 O ASP A 37 10.361 7.975 4.395 1.00 0.00 O ATOM 567 CB ASP A 37 7.269 9.158 4.546 1.00 0.00 C ATOM 568 CG ASP A 37 6.947 10.651 4.461 1.00 0.00 C ATOM 569 OD1 ASP A 37 6.068 11.004 3.692 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.584 11.416 5.167 1.00 0.00 O ATOM 0 H ASP A 37 6.522 8.128 2.505 1.00 0.00 H new ATOM 0 HA ASP A 37 8.925 9.651 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.362 8.571 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.652 8.914 5.537 1.00 0.00 H new ATOM 575 N ASN A 38 8.802 6.472 3.977 1.00 0.00 N ATOM 576 CA ASN A 38 9.668 5.353 4.461 1.00 0.00 C ATOM 577 C ASN A 38 10.755 5.047 3.429 1.00 0.00 C ATOM 578 O ASN A 38 11.868 4.695 3.773 1.00 0.00 O ATOM 579 CB ASN A 38 8.728 4.157 4.619 1.00 0.00 C ATOM 580 CG ASN A 38 7.933 4.300 5.918 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.503 4.462 6.978 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.629 4.246 5.880 1.00 0.00 N ATOM 0 H ASN A 38 7.877 6.193 3.650 1.00 0.00 H new ATOM 0 HA ASN A 38 10.173 5.597 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.048 4.100 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.301 3.230 4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.089 4.340 6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.150 4.110 4.990 1.00 0.00 H new ATOM 589 N GLY A 39 10.436 5.180 2.167 1.00 0.00 N ATOM 590 CA GLY A 39 11.441 4.901 1.101 1.00 0.00 C ATOM 591 C GLY A 39 11.146 3.544 0.461 1.00 0.00 C ATOM 592 O GLY A 39 12.048 2.817 0.088 1.00 0.00 O ATOM 0 H GLY A 39 9.519 5.471 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.411 5.685 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.445 4.904 1.524 1.00 0.00 H new ATOM 596 N ILE A 40 9.888 3.198 0.331 1.00 0.00 N ATOM 597 CA ILE A 40 9.531 1.886 -0.286 1.00 0.00 C ATOM 598 C ILE A 40 9.124 2.083 -1.750 1.00 0.00 C ATOM 599 O ILE A 40 7.978 1.906 -2.115 1.00 0.00 O ATOM 600 CB ILE A 40 8.361 1.348 0.552 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.856 1.098 1.982 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.841 0.031 -0.049 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.694 0.647 2.871 1.00 0.00 C ATOM 0 H ILE A 40 9.095 3.768 0.626 1.00 0.00 H new ATOM 0 HA ILE A 40 10.368 1.188 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 40 7.549 2.076 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.636 0.337 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.300 2.008 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.012 -0.341 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.499 0.207 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.643 -0.707 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.057 0.472 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.928 1.422 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.269 -0.275 2.474 1.00 0.00 H new ATOM 615 N ASP A 41 10.066 2.425 -2.592 1.00 0.00 N ATOM 616 CA ASP A 41 9.754 2.607 -4.040 1.00 0.00 C ATOM 617 C ASP A 41 9.996 1.281 -4.763 1.00 0.00 C ATOM 618 O ASP A 41 10.707 1.214 -5.747 1.00 0.00 O ATOM 619 CB ASP A 41 10.728 3.680 -4.530 1.00 0.00 C ATOM 620 CG ASP A 41 10.458 4.992 -3.791 1.00 0.00 C ATOM 621 OD1 ASP A 41 10.990 5.158 -2.706 1.00 0.00 O ATOM 622 OD2 ASP A 41 9.724 5.808 -4.323 1.00 0.00 O ATOM 0 H ASP A 41 11.040 2.586 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 41 8.721 2.903 -4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.755 3.359 -4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.615 3.826 -5.604 1.00 0.00 H new ATOM 627 N GLY A 42 9.420 0.223 -4.254 1.00 0.00 N ATOM 628 CA GLY A 42 9.614 -1.121 -4.864 1.00 0.00 C ATOM 629 C GLY A 42 8.772 -1.263 -6.128 1.00 0.00 C ATOM 630 O GLY A 42 8.691 -0.365 -6.944 1.00 0.00 O ATOM 0 H GLY A 42 8.817 0.236 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.667 -1.269 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.338 -1.895 -4.148 1.00 0.00 H new ATOM 634 N GLU A 43 8.140 -2.396 -6.280 1.00 0.00 N ATOM 635 CA GLU A 43 7.288 -2.637 -7.467 1.00 0.00 C ATOM 636 C GLU A 43 5.838 -2.759 -7.015 1.00 0.00 C ATOM 637 O GLU A 43 5.434 -3.765 -6.461 1.00 0.00 O ATOM 638 CB GLU A 43 7.788 -3.950 -8.069 1.00 0.00 C ATOM 639 CG GLU A 43 9.178 -3.739 -8.673 1.00 0.00 C ATOM 640 CD GLU A 43 9.047 -3.013 -10.013 1.00 0.00 C ATOM 641 OE1 GLU A 43 8.699 -1.844 -9.999 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.297 -3.639 -11.030 1.00 0.00 O ATOM 0 H GLU A 43 8.182 -3.172 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 43 7.339 -1.831 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.827 -4.723 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.096 -4.298 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.798 -3.157 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.674 -4.699 -8.814 1.00 0.00 H new ATOM 649 N TRP A 44 5.066 -1.728 -7.216 1.00 0.00 N ATOM 650 CA TRP A 44 3.654 -1.754 -6.766 1.00 0.00 C ATOM 651 C TRP A 44 2.785 -2.636 -7.652 1.00 0.00 C ATOM 652 O TRP A 44 2.924 -2.676 -8.859 1.00 0.00 O ATOM 653 CB TRP A 44 3.188 -0.305 -6.814 1.00 0.00 C ATOM 654 CG TRP A 44 3.806 0.409 -5.663 1.00 0.00 C ATOM 655 CD1 TRP A 44 5.124 0.684 -5.542 1.00 0.00 C ATOM 656 CD2 TRP A 44 3.167 0.917 -4.460 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.335 1.327 -4.339 1.00 0.00 N ATOM 658 CE2 TRP A 44 4.159 1.493 -3.636 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.835 0.934 -4.006 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.847 2.061 -2.407 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.515 1.511 -2.766 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.521 2.072 -1.967 1.00 0.00 C ATOM 0 H TRP A 44 5.358 -0.865 -7.676 1.00 0.00 H new ATOM 0 HA TRP A 44 3.571 -2.179 -5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.482 0.160 -7.755 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.101 -0.251 -6.758 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.886 0.441 -6.267 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.248 1.641 -4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.055 0.501 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.626 2.492 -1.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.490 1.522 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.271 2.512 -1.013 1.00 0.00 H new ATOM 673 N THR A 45 1.874 -3.328 -7.035 1.00 0.00 N ATOM 674 CA THR A 45 0.942 -4.214 -7.778 1.00 0.00 C ATOM 675 C THR A 45 -0.351 -4.328 -6.978 1.00 0.00 C ATOM 676 O THR A 45 -0.330 -4.546 -5.780 1.00 0.00 O ATOM 677 CB THR A 45 1.640 -5.569 -7.877 1.00 0.00 C ATOM 678 OG1 THR A 45 2.276 -5.870 -6.642 1.00 0.00 O ATOM 679 CG2 THR A 45 2.680 -5.533 -8.998 1.00 0.00 C ATOM 0 H THR A 45 1.733 -3.316 -6.025 1.00 0.00 H new ATOM 0 HA THR A 45 0.697 -3.836 -8.771 1.00 0.00 H new ATOM 0 HB THR A 45 0.901 -6.339 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.722 -6.740 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.176 -6.501 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.187 -5.311 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.419 -4.761 -8.784 1.00 0.00 H new ATOM 687 N TYR A 46 -1.468 -4.161 -7.623 1.00 0.00 N ATOM 688 CA TYR A 46 -2.768 -4.233 -6.900 1.00 0.00 C ATOM 689 C TYR A 46 -3.454 -5.574 -7.189 1.00 0.00 C ATOM 690 O TYR A 46 -4.017 -5.779 -8.249 1.00 0.00 O ATOM 691 CB TYR A 46 -3.564 -3.040 -7.460 1.00 0.00 C ATOM 692 CG TYR A 46 -5.031 -3.117 -7.081 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.456 -2.712 -5.809 1.00 0.00 C ATOM 694 CD2 TYR A 46 -5.965 -3.579 -8.015 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.814 -2.771 -5.474 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.322 -3.635 -7.681 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.747 -3.232 -6.411 1.00 0.00 C ATOM 698 OH TYR A 46 -9.086 -3.286 -6.086 1.00 0.00 O ATOM 0 H TYR A 46 -1.539 -3.977 -8.624 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.673 -4.180 -5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.139 -2.110 -7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.469 -3.017 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.736 -2.354 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.638 -3.893 -8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.142 -2.461 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.042 -3.990 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.595 -3.628 -6.850 1.00 0.00 H new ATOM 708 N ASP A 47 -3.411 -6.481 -6.247 1.00 0.00 N ATOM 709 CA ASP A 47 -4.059 -7.810 -6.449 1.00 0.00 C ATOM 710 C ASP A 47 -5.563 -7.700 -6.186 1.00 0.00 C ATOM 711 O ASP A 47 -5.993 -7.534 -5.059 1.00 0.00 O ATOM 712 CB ASP A 47 -3.400 -8.736 -5.425 1.00 0.00 C ATOM 713 CG ASP A 47 -2.290 -9.544 -6.102 1.00 0.00 C ATOM 714 OD1 ASP A 47 -1.349 -8.934 -6.581 1.00 0.00 O ATOM 715 OD2 ASP A 47 -2.401 -10.758 -6.130 1.00 0.00 O ATOM 0 H ASP A 47 -2.953 -6.357 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.937 -8.182 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.988 -8.151 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.143 -9.408 -4.996 1.00 0.00 H new ATOM 720 N ASP A 48 -6.360 -7.789 -7.220 1.00 0.00 N ATOM 721 CA ASP A 48 -7.842 -7.690 -7.042 1.00 0.00 C ATOM 722 C ASP A 48 -8.361 -8.868 -6.210 1.00 0.00 C ATOM 723 O ASP A 48 -9.420 -8.795 -5.616 1.00 0.00 O ATOM 724 CB ASP A 48 -8.425 -7.736 -8.456 1.00 0.00 C ATOM 725 CG ASP A 48 -9.639 -6.809 -8.538 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.651 -7.136 -7.940 1.00 0.00 O ATOM 727 OD2 ASP A 48 -9.536 -5.788 -9.198 1.00 0.00 O ATOM 0 H ASP A 48 -6.049 -7.926 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.127 -6.779 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.671 -7.431 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.715 -8.756 -8.708 1.00 0.00 H new ATOM 732 N ALA A 49 -7.625 -9.955 -6.163 1.00 0.00 N ATOM 733 CA ALA A 49 -8.072 -11.146 -5.372 1.00 0.00 C ATOM 734 C ALA A 49 -8.434 -10.742 -3.937 1.00 0.00 C ATOM 735 O ALA A 49 -9.350 -11.280 -3.344 1.00 0.00 O ATOM 736 CB ALA A 49 -6.876 -12.100 -5.370 1.00 0.00 C ATOM 0 H ALA A 49 -6.731 -10.068 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.962 -11.604 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.128 -12.999 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.626 -12.372 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.020 -11.610 -4.906 1.00 0.00 H new ATOM 742 N THR A 50 -7.720 -9.796 -3.381 1.00 0.00 N ATOM 743 CA THR A 50 -8.017 -9.348 -1.986 1.00 0.00 C ATOM 744 C THR A 50 -7.759 -7.841 -1.826 1.00 0.00 C ATOM 745 O THR A 50 -7.672 -7.339 -0.722 1.00 0.00 O ATOM 746 CB THR A 50 -7.060 -10.150 -1.104 1.00 0.00 C ATOM 747 OG1 THR A 50 -5.721 -9.896 -1.507 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.363 -11.643 -1.243 1.00 0.00 C ATOM 0 H THR A 50 -6.943 -9.314 -3.833 1.00 0.00 H new ATOM 0 HA THR A 50 -9.061 -9.512 -1.721 1.00 0.00 H new ATOM 0 HB THR A 50 -7.189 -9.852 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.106 -10.408 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.680 -12.213 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.390 -11.836 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.236 -11.945 -2.283 1.00 0.00 H new ATOM 756 N LYS A 51 -7.638 -7.112 -2.916 1.00 0.00 N ATOM 757 CA LYS A 51 -7.389 -5.632 -2.826 1.00 0.00 C ATOM 758 C LYS A 51 -6.206 -5.336 -1.893 1.00 0.00 C ATOM 759 O LYS A 51 -6.389 -5.021 -0.730 1.00 0.00 O ATOM 760 CB LYS A 51 -8.689 -5.038 -2.259 1.00 0.00 C ATOM 761 CG LYS A 51 -9.317 -4.090 -3.285 1.00 0.00 C ATOM 762 CD LYS A 51 -10.410 -4.827 -4.065 1.00 0.00 C ATOM 763 CE LYS A 51 -11.600 -5.103 -3.143 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.799 -4.980 -4.017 1.00 0.00 N ATOM 0 H LYS A 51 -7.701 -7.479 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.135 -5.203 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.388 -5.837 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.481 -4.501 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.739 -3.221 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.553 -3.722 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.729 -4.228 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.019 -5.764 -4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.534 -6.097 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.636 -4.389 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.657 -5.156 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.839 -4.022 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.740 -5.676 -4.787 1.00 0.00 H new ATOM 778 N THR A 52 -4.998 -5.439 -2.390 1.00 0.00 N ATOM 779 CA THR A 52 -3.814 -5.169 -1.520 1.00 0.00 C ATOM 780 C THR A 52 -2.636 -4.622 -2.332 1.00 0.00 C ATOM 781 O THR A 52 -2.021 -5.334 -3.103 1.00 0.00 O ATOM 782 CB THR A 52 -3.456 -6.527 -0.916 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.616 -7.103 -0.331 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.379 -6.344 0.155 1.00 0.00 C ATOM 0 H THR A 52 -4.782 -5.696 -3.353 1.00 0.00 H new ATOM 0 HA THR A 52 -4.036 -4.417 -0.763 1.00 0.00 H new ATOM 0 HB THR A 52 -3.078 -7.185 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.832 -7.942 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.125 -7.313 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.490 -5.902 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.754 -5.686 0.939 1.00 0.00 H new ATOM 792 N PHE A 53 -2.302 -3.368 -2.139 1.00 0.00 N ATOM 793 CA PHE A 53 -1.140 -2.778 -2.872 1.00 0.00 C ATOM 794 C PHE A 53 0.131 -3.480 -2.400 1.00 0.00 C ATOM 795 O PHE A 53 0.513 -3.373 -1.249 1.00 0.00 O ATOM 796 CB PHE A 53 -1.119 -1.300 -2.482 1.00 0.00 C ATOM 797 CG PHE A 53 -2.308 -0.598 -3.096 1.00 0.00 C ATOM 798 CD1 PHE A 53 -3.528 -0.556 -2.411 1.00 0.00 C ATOM 799 CD2 PHE A 53 -2.188 0.011 -4.350 1.00 0.00 C ATOM 800 CE1 PHE A 53 -4.629 0.095 -2.979 1.00 0.00 C ATOM 801 CE2 PHE A 53 -3.289 0.662 -4.920 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.510 0.704 -4.234 1.00 0.00 C ATOM 0 H PHE A 53 -2.784 -2.729 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.211 -2.893 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.145 -1.199 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.194 -0.836 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.620 -1.026 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.246 -0.021 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.570 0.128 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.197 1.132 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.359 1.206 -4.673 1.00 0.00 H new ATOM 812 N THR A 54 0.760 -4.232 -3.262 1.00 0.00 N ATOM 813 CA THR A 54 1.982 -4.989 -2.839 1.00 0.00 C ATOM 814 C THR A 54 3.287 -4.362 -3.363 1.00 0.00 C ATOM 815 O THR A 54 3.684 -4.606 -4.487 1.00 0.00 O ATOM 816 CB THR A 54 1.783 -6.382 -3.447 1.00 0.00 C ATOM 817 OG1 THR A 54 0.559 -6.928 -2.975 1.00 0.00 O ATOM 818 CG2 THR A 54 2.939 -7.306 -3.050 1.00 0.00 C ATOM 0 H THR A 54 0.486 -4.357 -4.236 1.00 0.00 H new ATOM 0 HA THR A 54 2.086 -4.993 -1.754 1.00 0.00 H new ATOM 0 HB THR A 54 1.758 -6.296 -4.533 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.427 -7.818 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.784 -8.292 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.879 -6.890 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.978 -7.394 -1.964 1.00 0.00 H new ATOM 826 N VAL A 55 3.984 -3.602 -2.540 1.00 0.00 N ATOM 827 CA VAL A 55 5.285 -3.028 -2.980 1.00 0.00 C ATOM 828 C VAL A 55 6.425 -3.875 -2.401 1.00 0.00 C ATOM 829 O VAL A 55 6.226 -4.663 -1.491 1.00 0.00 O ATOM 830 CB VAL A 55 5.365 -1.579 -2.462 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.461 -1.550 -0.942 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.613 -0.912 -3.042 1.00 0.00 C ATOM 0 H VAL A 55 3.702 -3.361 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 55 5.370 -3.031 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 55 4.463 -1.050 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.516 -0.516 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.580 -2.027 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.355 -2.086 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.678 0.114 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.499 -1.464 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.552 -0.910 -4.130 1.00 0.00 H new ATOM 842 N THR A 56 7.607 -3.710 -2.916 1.00 0.00 N ATOM 843 CA THR A 56 8.768 -4.496 -2.419 1.00 0.00 C ATOM 844 C THR A 56 10.078 -3.809 -2.815 1.00 0.00 C ATOM 845 O THR A 56 10.438 -3.772 -3.979 1.00 0.00 O ATOM 846 CB THR A 56 8.635 -5.840 -3.131 1.00 0.00 C ATOM 847 OG1 THR A 56 7.387 -6.429 -2.797 1.00 0.00 O ATOM 848 CG2 THR A 56 9.772 -6.776 -2.710 1.00 0.00 C ATOM 0 H THR A 56 7.822 -3.057 -3.669 1.00 0.00 H new ATOM 0 HA THR A 56 8.780 -4.595 -1.334 1.00 0.00 H new ATOM 0 HB THR A 56 8.690 -5.679 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.087 -6.089 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.666 -7.731 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.730 -6.326 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.730 -6.937 -1.633 1.00 0.00 H new ATOM 856 N GLU A 57 10.789 -3.270 -1.859 1.00 0.00 N ATOM 857 CA GLU A 57 12.079 -2.587 -2.171 1.00 0.00 C ATOM 858 C GLU A 57 13.236 -3.587 -2.087 1.00 0.00 C ATOM 859 O GLU A 57 12.983 -4.770 -2.249 1.00 0.00 O ATOM 860 CB GLU A 57 12.224 -1.506 -1.100 1.00 0.00 C ATOM 861 CG GLU A 57 13.020 -0.326 -1.665 1.00 0.00 C ATOM 862 CD GLU A 57 14.497 -0.479 -1.294 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.829 -0.223 -0.148 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.270 -0.851 -2.162 1.00 0.00 O ATOM 865 OXT GLU A 57 14.353 -3.154 -1.860 1.00 0.00 O ATOM 0 H GLU A 57 10.530 -3.274 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 57 12.094 -2.167 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.240 -1.170 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.730 -1.913 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.909 -0.285 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.630 0.612 -1.269 1.00 0.00 H new TER 872 GLU A 57