USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN :FLIP amide:sc= 0.526 F(o=-2.1,f=0.69) USER MOD Set 1.2: A 56 THR OG1 : rot -75:sc= 0.169 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.0907 USER MOD Set 3.1: A 45 THR OG1 : rot -4:sc= -0.0822 USER MOD Set 3.2: A 54 THR OG1 : rot 148:sc= 0.55 USER MOD Set 4.1: A 1 MET N :NH3+ 173:sc= 0.219 (180deg=0.191) USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00544) USER MOD Single : A 12 THR OG1 : rot 128:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.012) USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.248 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= -0.179 K(o=-0.18,f=-2.4!) USER MOD Single : A 34 TYR OH : rot 165:sc= -3.6! USER MOD Single : A 36 ASN : amide:sc= 0.506 K(o=0.51,f=-0.45) USER MOD Single : A 38 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.821 -13.781 7.909 1.00 0.00 N ATOM 2 CA MET A 1 -1.523 -14.485 6.798 1.00 0.00 C ATOM 3 C MET A 1 -1.803 -13.512 5.649 1.00 0.00 C ATOM 4 O MET A 1 -1.409 -13.742 4.522 1.00 0.00 O ATOM 5 CB MET A 1 -2.833 -14.983 7.410 1.00 0.00 C ATOM 6 CG MET A 1 -3.294 -16.243 6.676 1.00 0.00 C ATOM 7 SD MET A 1 -5.090 -16.411 6.837 1.00 0.00 S ATOM 8 CE MET A 1 -5.084 -17.733 8.071 1.00 0.00 C ATOM 0 H1 MET A 1 -0.742 -14.417 8.728 1.00 0.00 H new ATOM 0 H2 MET A 1 0.130 -13.500 7.596 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.361 -12.934 8.179 1.00 0.00 H new ATOM 0 HA MET A 1 -0.930 -15.301 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.693 -15.197 8.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.597 -14.209 7.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.016 -16.186 5.624 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.797 -17.120 7.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.110 -18.000 8.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.571 -18.605 7.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.568 -17.391 8.968 1.00 0.00 H new ATOM 20 N THR A 2 -2.479 -12.428 5.932 1.00 0.00 N ATOM 21 CA THR A 2 -2.790 -11.431 4.864 1.00 0.00 C ATOM 22 C THR A 2 -1.878 -10.209 5.004 1.00 0.00 C ATOM 23 O THR A 2 -2.308 -9.082 4.838 1.00 0.00 O ATOM 24 CB THR A 2 -4.251 -11.043 5.100 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.057 -12.214 5.086 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.713 -10.091 3.995 1.00 0.00 C ATOM 0 H THR A 2 -2.830 -12.190 6.860 1.00 0.00 H new ATOM 0 HA THR A 2 -2.632 -11.832 3.863 1.00 0.00 H new ATOM 0 HB THR A 2 -4.345 -10.547 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.993 -11.968 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.754 -9.815 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.094 -9.194 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.621 -10.585 3.028 1.00 0.00 H new ATOM 34 N THR A 3 -0.623 -10.426 5.307 1.00 0.00 N ATOM 35 CA THR A 3 0.324 -9.280 5.458 1.00 0.00 C ATOM 36 C THR A 3 0.638 -8.671 4.090 1.00 0.00 C ATOM 37 O THR A 3 1.409 -9.215 3.322 1.00 0.00 O ATOM 38 CB THR A 3 1.588 -9.877 6.081 1.00 0.00 C ATOM 39 OG1 THR A 3 1.228 -10.683 7.195 1.00 0.00 O ATOM 40 CG2 THR A 3 2.513 -8.750 6.542 1.00 0.00 C ATOM 0 H THR A 3 -0.213 -11.348 5.456 1.00 0.00 H new ATOM 0 HA THR A 3 -0.093 -8.484 6.075 1.00 0.00 H new ATOM 0 HB THR A 3 2.105 -10.488 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.036 -11.068 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.413 -9.176 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.788 -8.132 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.999 -8.137 7.282 1.00 0.00 H new ATOM 48 N PHE A 4 0.042 -7.548 3.784 1.00 0.00 N ATOM 49 CA PHE A 4 0.297 -6.894 2.467 1.00 0.00 C ATOM 50 C PHE A 4 1.501 -5.956 2.566 1.00 0.00 C ATOM 51 O PHE A 4 1.767 -5.384 3.606 1.00 0.00 O ATOM 52 CB PHE A 4 -0.977 -6.103 2.167 1.00 0.00 C ATOM 53 CG PHE A 4 -2.003 -7.029 1.564 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.769 -7.607 0.313 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.183 -7.313 2.258 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.717 -8.470 -0.247 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.131 -8.176 1.697 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.898 -8.754 0.445 1.00 0.00 C ATOM 0 H PHE A 4 -0.612 -7.055 4.392 1.00 0.00 H new ATOM 0 HA PHE A 4 0.523 -7.617 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.366 -5.656 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.759 -5.285 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.856 -7.387 -0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.363 -6.867 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.537 -8.917 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.043 -8.396 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.630 -9.420 0.013 1.00 0.00 H new ATOM 68 N LYS A 5 2.229 -5.798 1.491 1.00 0.00 N ATOM 69 CA LYS A 5 3.419 -4.898 1.514 1.00 0.00 C ATOM 70 C LYS A 5 3.183 -3.691 0.604 1.00 0.00 C ATOM 71 O LYS A 5 2.101 -3.509 0.074 1.00 0.00 O ATOM 72 CB LYS A 5 4.577 -5.748 0.985 1.00 0.00 C ATOM 73 CG LYS A 5 4.786 -6.961 1.896 1.00 0.00 C ATOM 74 CD LYS A 5 4.078 -8.179 1.298 1.00 0.00 C ATOM 75 CE LYS A 5 4.876 -9.446 1.619 1.00 0.00 C ATOM 76 NZ LYS A 5 4.404 -10.457 0.633 1.00 0.00 N ATOM 0 H LYS A 5 2.050 -6.255 0.597 1.00 0.00 H new ATOM 0 HA LYS A 5 3.623 -4.512 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.364 -6.077 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.488 -5.152 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.851 -7.165 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.395 -6.753 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.069 -8.260 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.981 -8.062 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.948 -9.272 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.696 -9.778 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.906 -11.355 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.382 -10.607 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.595 -10.117 -0.331 1.00 0.00 H new ATOM 90 N LEU A 6 4.183 -2.868 0.418 1.00 0.00 N ATOM 91 CA LEU A 6 4.017 -1.669 -0.458 1.00 0.00 C ATOM 92 C LEU A 6 5.384 -1.151 -0.907 1.00 0.00 C ATOM 93 O LEU A 6 6.127 -0.584 -0.129 1.00 0.00 O ATOM 94 CB LEU A 6 3.303 -0.639 0.426 1.00 0.00 C ATOM 95 CG LEU A 6 3.132 0.688 -0.327 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.976 0.570 -1.318 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.829 1.804 0.677 1.00 0.00 C ATOM 0 H LEU A 6 5.108 -2.974 0.835 1.00 0.00 H new ATOM 0 HA LEU A 6 3.454 -1.886 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.328 -1.022 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.876 -0.475 1.339 1.00 0.00 H new ATOM 0 HG LEU A 6 4.050 0.920 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.856 1.513 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.188 -0.226 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.057 0.339 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.707 2.748 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.911 1.569 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.653 1.890 1.385 1.00 0.00 H new ATOM 109 N ILE A 7 5.706 -1.321 -2.163 1.00 0.00 N ATOM 110 CA ILE A 7 7.007 -0.818 -2.677 1.00 0.00 C ATOM 111 C ILE A 7 6.818 0.623 -3.133 1.00 0.00 C ATOM 112 O ILE A 7 6.005 0.898 -4.001 1.00 0.00 O ATOM 113 CB ILE A 7 7.354 -1.724 -3.863 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.475 -3.173 -3.382 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.684 -1.281 -4.477 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.544 -4.107 -4.592 1.00 0.00 C ATOM 0 H ILE A 7 5.120 -1.789 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 7 7.801 -0.835 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 7 6.566 -1.653 -4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.367 -3.290 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.621 -3.433 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.929 -1.927 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.600 -0.250 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.472 -1.350 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.630 -5.139 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.639 -3.997 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.412 -3.852 -5.199 1.00 0.00 H new ATOM 128 N ILE A 8 7.538 1.547 -2.554 1.00 0.00 N ATOM 129 CA ILE A 8 7.364 2.969 -2.968 1.00 0.00 C ATOM 130 C ILE A 8 8.233 3.251 -4.196 1.00 0.00 C ATOM 131 O ILE A 8 9.447 3.203 -4.126 1.00 0.00 O ATOM 132 CB ILE A 8 7.812 3.865 -1.804 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.275 3.353 -0.436 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.307 5.288 -2.083 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.777 3.649 -0.247 1.00 0.00 C ATOM 0 H ILE A 8 8.230 1.382 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 8 6.322 3.168 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 8 8.900 3.849 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.443 2.279 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.840 3.820 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.611 5.948 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.731 5.647 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.219 5.280 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.451 3.272 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.610 4.725 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.207 3.160 -1.037 1.00 0.00 H new ATOM 147 N ASN A 9 7.624 3.542 -5.315 1.00 0.00 N ATOM 148 CA ASN A 9 8.418 3.827 -6.548 1.00 0.00 C ATOM 149 C ASN A 9 8.489 5.338 -6.792 1.00 0.00 C ATOM 150 O ASN A 9 8.161 5.819 -7.861 1.00 0.00 O ATOM 151 CB ASN A 9 7.661 3.127 -7.677 1.00 0.00 C ATOM 152 CG ASN A 9 8.485 3.195 -8.965 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.245 4.141 -9.832 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.356 2.377 -9.186 1.00 0.00 N flip ATOM 0 H ASN A 9 6.612 3.595 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 9 9.446 3.473 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.469 2.088 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.691 3.602 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.545 1.637 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.899 2.430 -10.048 1.00 0.00 H new ATOM 161 N GLY A 10 8.917 6.084 -5.805 1.00 0.00 N ATOM 162 CA GLY A 10 9.015 7.564 -5.966 1.00 0.00 C ATOM 163 C GLY A 10 10.376 8.044 -5.458 1.00 0.00 C ATOM 164 O GLY A 10 11.409 7.663 -5.976 1.00 0.00 O ATOM 0 H GLY A 10 9.203 5.729 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.890 7.835 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.215 8.054 -5.412 1.00 0.00 H new ATOM 168 N LYS A 11 10.382 8.876 -4.448 1.00 0.00 N ATOM 169 CA LYS A 11 11.675 9.386 -3.898 1.00 0.00 C ATOM 170 C LYS A 11 11.448 10.056 -2.538 1.00 0.00 C ATOM 171 O LYS A 11 11.927 11.146 -2.287 1.00 0.00 O ATOM 172 CB LYS A 11 12.181 10.403 -4.928 1.00 0.00 C ATOM 173 CG LYS A 11 11.143 11.513 -5.126 1.00 0.00 C ATOM 174 CD LYS A 11 11.526 12.357 -6.344 1.00 0.00 C ATOM 175 CE LYS A 11 10.714 13.655 -6.343 1.00 0.00 C ATOM 176 NZ LYS A 11 11.503 14.596 -5.500 1.00 0.00 N ATOM 0 H LYS A 11 9.546 9.225 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 11 12.396 8.585 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.125 10.833 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.377 9.904 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.153 11.079 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.092 12.141 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.592 12.583 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.337 11.798 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.585 14.042 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.717 13.497 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.876 15.337 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.933 14.076 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.251 15.033 -6.075 1.00 0.00 H new ATOM 190 N THR A 12 10.721 9.407 -1.664 1.00 0.00 N ATOM 191 CA THR A 12 10.456 9.994 -0.316 1.00 0.00 C ATOM 192 C THR A 12 10.516 8.899 0.753 1.00 0.00 C ATOM 193 O THR A 12 11.122 9.068 1.793 1.00 0.00 O ATOM 194 CB THR A 12 9.046 10.578 -0.408 1.00 0.00 C ATOM 195 OG1 THR A 12 8.945 11.387 -1.570 1.00 0.00 O ATOM 196 CG2 THR A 12 8.759 11.425 0.833 1.00 0.00 C ATOM 0 H THR A 12 10.298 8.493 -1.827 1.00 0.00 H new ATOM 0 HA THR A 12 11.191 10.750 -0.041 1.00 0.00 H new ATOM 0 HB THR A 12 8.320 9.767 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.163 11.112 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.754 11.840 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.835 10.802 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.484 12.237 0.895 1.00 0.00 H new ATOM 204 N LEU A 13 9.889 7.780 0.496 1.00 0.00 N ATOM 205 CA LEU A 13 9.899 6.662 1.485 1.00 0.00 C ATOM 206 C LEU A 13 10.809 5.533 0.992 1.00 0.00 C ATOM 207 O LEU A 13 11.751 5.146 1.657 1.00 0.00 O ATOM 208 CB LEU A 13 8.450 6.187 1.556 1.00 0.00 C ATOM 209 CG LEU A 13 7.702 6.970 2.635 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.201 6.679 2.529 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.211 6.548 4.015 1.00 0.00 C ATOM 0 H LEU A 13 9.368 7.592 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 13 10.275 6.973 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.964 6.326 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.418 5.121 1.779 1.00 0.00 H new ATOM 0 HG LEU A 13 7.874 8.037 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.667 7.237 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.840 6.981 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.027 5.612 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.678 7.106 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.039 5.481 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.278 6.757 4.089 1.00 0.00 H new ATOM 223 N LYS A 14 10.531 5.003 -0.177 1.00 0.00 N ATOM 224 CA LYS A 14 11.369 3.892 -0.738 1.00 0.00 C ATOM 225 C LYS A 14 11.500 2.744 0.272 1.00 0.00 C ATOM 226 O LYS A 14 12.411 2.717 1.076 1.00 0.00 O ATOM 227 CB LYS A 14 12.739 4.516 -1.021 1.00 0.00 C ATOM 228 CG LYS A 14 12.670 5.339 -2.309 1.00 0.00 C ATOM 229 CD LYS A 14 14.059 5.893 -2.636 1.00 0.00 C ATOM 230 CE LYS A 14 14.801 4.919 -3.560 1.00 0.00 C ATOM 231 NZ LYS A 14 15.886 4.337 -2.720 1.00 0.00 N ATOM 0 H LYS A 14 9.754 5.294 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 14 10.922 3.468 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.040 5.150 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.493 3.735 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.312 4.719 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.959 6.157 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.968 6.867 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.627 6.042 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.133 4.143 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.209 5.434 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.508 3.752 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.440 5.104 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.468 3.748 -1.972 1.00 0.00 H new ATOM 245 N GLY A 15 10.592 1.802 0.231 1.00 0.00 N ATOM 246 CA GLY A 15 10.656 0.655 1.186 1.00 0.00 C ATOM 247 C GLY A 15 9.475 -0.287 0.943 1.00 0.00 C ATOM 248 O GLY A 15 8.578 0.012 0.175 1.00 0.00 O ATOM 0 H GLY A 15 9.809 1.778 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.595 0.116 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.635 1.022 2.212 1.00 0.00 H new ATOM 252 N GLU A 16 9.473 -1.423 1.594 1.00 0.00 N ATOM 253 CA GLU A 16 8.361 -2.401 1.416 1.00 0.00 C ATOM 254 C GLU A 16 7.786 -2.798 2.779 1.00 0.00 C ATOM 255 O GLU A 16 7.787 -3.957 3.151 1.00 0.00 O ATOM 256 CB GLU A 16 9.011 -3.604 0.731 1.00 0.00 C ATOM 257 CG GLU A 16 7.932 -4.613 0.335 1.00 0.00 C ATOM 258 CD GLU A 16 8.539 -5.678 -0.581 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.241 -5.304 -1.506 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.290 -6.848 -0.342 1.00 0.00 O ATOM 0 H GLU A 16 10.201 -1.715 2.246 1.00 0.00 H new ATOM 0 HA GLU A 16 7.534 -1.995 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.561 -3.279 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.732 -4.072 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.512 -5.081 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.113 -4.105 -0.174 1.00 0.00 H new ATOM 267 N ILE A 17 7.294 -1.841 3.528 1.00 0.00 N ATOM 268 CA ILE A 17 6.715 -2.156 4.872 1.00 0.00 C ATOM 269 C ILE A 17 5.543 -3.134 4.721 1.00 0.00 C ATOM 270 O ILE A 17 4.713 -2.991 3.843 1.00 0.00 O ATOM 271 CB ILE A 17 6.246 -0.807 5.437 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.644 -1.011 6.832 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.191 -0.190 4.512 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.731 -0.809 7.891 1.00 0.00 C ATOM 0 H ILE A 17 7.268 -0.855 3.267 1.00 0.00 H new ATOM 0 HA ILE A 17 7.436 -2.633 5.536 1.00 0.00 H new ATOM 0 HB ILE A 17 7.102 -0.135 5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.828 -0.307 6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.222 -2.013 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.864 0.766 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.621 -0.034 3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.337 -0.863 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.304 -0.954 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.532 -1.531 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.132 0.202 7.813 1.00 0.00 H new ATOM 286 N THR A 18 5.479 -4.127 5.570 1.00 0.00 N ATOM 287 CA THR A 18 4.371 -5.125 5.481 1.00 0.00 C ATOM 288 C THR A 18 3.328 -4.857 6.569 1.00 0.00 C ATOM 289 O THR A 18 3.663 -4.599 7.710 1.00 0.00 O ATOM 290 CB THR A 18 5.042 -6.485 5.705 1.00 0.00 C ATOM 291 OG1 THR A 18 5.628 -6.511 6.999 1.00 0.00 O ATOM 292 CG2 THR A 18 6.127 -6.719 4.648 1.00 0.00 C ATOM 0 H THR A 18 6.148 -4.290 6.323 1.00 0.00 H new ATOM 0 HA THR A 18 3.851 -5.079 4.524 1.00 0.00 H new ATOM 0 HB THR A 18 4.292 -7.272 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.190 -5.846 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.597 -7.688 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.677 -6.702 3.655 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.880 -5.934 4.719 1.00 0.00 H new ATOM 300 N ILE A 19 2.066 -4.926 6.224 1.00 0.00 N ATOM 301 CA ILE A 19 0.993 -4.685 7.240 1.00 0.00 C ATOM 302 C ILE A 19 -0.178 -5.647 7.019 1.00 0.00 C ATOM 303 O ILE A 19 -0.613 -5.863 5.903 1.00 0.00 O ATOM 304 CB ILE A 19 0.550 -3.229 7.040 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.019 -3.027 5.613 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.741 -2.298 7.277 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.511 -3.100 5.617 1.00 0.00 C ATOM 0 H ILE A 19 1.732 -5.139 5.284 1.00 0.00 H new ATOM 0 HA ILE A 19 1.351 -4.855 8.255 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.245 -2.999 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.346 -2.062 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.428 -3.791 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.428 -1.264 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.109 -2.430 8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.536 -2.537 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.885 -2.956 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.828 -4.076 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.911 -2.320 6.265 1.00 0.00 H new ATOM 319 N GLU A 20 -0.688 -6.226 8.078 1.00 0.00 N ATOM 320 CA GLU A 20 -1.831 -7.178 7.941 1.00 0.00 C ATOM 321 C GLU A 20 -3.139 -6.408 7.751 1.00 0.00 C ATOM 322 O GLU A 20 -3.267 -5.272 8.166 1.00 0.00 O ATOM 323 CB GLU A 20 -1.858 -7.963 9.255 1.00 0.00 C ATOM 324 CG GLU A 20 -0.653 -8.905 9.311 1.00 0.00 C ATOM 325 CD GLU A 20 -1.036 -10.178 10.067 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.113 -10.121 11.283 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.245 -11.190 9.417 1.00 0.00 O ATOM 0 H GLU A 20 -0.361 -6.079 9.033 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.719 -7.834 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.836 -7.277 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.783 -8.534 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.325 -9.153 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.184 -8.413 9.806 1.00 0.00 H new ATOM 334 N ALA A 21 -4.109 -7.022 7.122 1.00 0.00 N ATOM 335 CA ALA A 21 -5.414 -6.335 6.896 1.00 0.00 C ATOM 336 C ALA A 21 -6.478 -7.343 6.457 1.00 0.00 C ATOM 337 O ALA A 21 -6.171 -8.451 6.060 1.00 0.00 O ATOM 338 CB ALA A 21 -5.138 -5.329 5.778 1.00 0.00 C ATOM 0 H ALA A 21 -4.052 -7.972 6.755 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.789 -5.854 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.051 -4.779 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.365 -4.631 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.801 -5.859 4.887 1.00 0.00 H new ATOM 344 N VAL A 22 -7.730 -6.964 6.527 1.00 0.00 N ATOM 345 CA VAL A 22 -8.834 -7.887 6.117 1.00 0.00 C ATOM 346 C VAL A 22 -8.610 -8.391 4.682 1.00 0.00 C ATOM 347 O VAL A 22 -8.846 -9.543 4.374 1.00 0.00 O ATOM 348 CB VAL A 22 -10.116 -7.045 6.210 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.019 -5.834 5.274 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.324 -7.898 5.811 1.00 0.00 C ATOM 0 H VAL A 22 -8.037 -6.048 6.853 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.886 -8.772 6.751 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.236 -6.698 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.932 -5.244 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.166 -5.220 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.890 -6.177 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.231 -7.298 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.198 -8.252 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.404 -8.753 6.483 1.00 0.00 H new ATOM 360 N ASP A 23 -8.151 -7.528 3.815 1.00 0.00 N ATOM 361 CA ASP A 23 -7.898 -7.927 2.399 1.00 0.00 C ATOM 362 C ASP A 23 -6.962 -6.908 1.753 1.00 0.00 C ATOM 363 O ASP A 23 -6.643 -5.895 2.349 1.00 0.00 O ATOM 364 CB ASP A 23 -9.268 -7.901 1.719 1.00 0.00 C ATOM 365 CG ASP A 23 -9.950 -9.260 1.883 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.427 -10.230 1.359 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.985 -9.308 2.528 1.00 0.00 O ATOM 0 H ASP A 23 -7.938 -6.554 4.030 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.432 -8.909 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.887 -7.117 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.155 -7.665 0.661 1.00 0.00 H new ATOM 372 N ALA A 24 -6.518 -7.156 0.545 1.00 0.00 N ATOM 373 CA ALA A 24 -5.599 -6.181 -0.118 1.00 0.00 C ATOM 374 C ALA A 24 -6.312 -4.835 -0.285 1.00 0.00 C ATOM 375 O ALA A 24 -5.692 -3.789 -0.279 1.00 0.00 O ATOM 376 CB ALA A 24 -5.257 -6.782 -1.480 1.00 0.00 C ATOM 0 H ALA A 24 -6.750 -7.983 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.697 -6.005 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.584 -6.112 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.771 -7.748 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.171 -6.916 -2.058 1.00 0.00 H new ATOM 382 N ALA A 25 -7.618 -4.859 -0.418 1.00 0.00 N ATOM 383 CA ALA A 25 -8.389 -3.589 -0.570 1.00 0.00 C ATOM 384 C ALA A 25 -8.125 -2.680 0.633 1.00 0.00 C ATOM 385 O ALA A 25 -7.862 -1.501 0.488 1.00 0.00 O ATOM 386 CB ALA A 25 -9.860 -4.008 -0.612 1.00 0.00 C ATOM 0 H ALA A 25 -8.182 -5.709 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.105 -3.037 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.487 -3.123 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.024 -4.677 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.118 -4.522 0.314 1.00 0.00 H new ATOM 392 N GLU A 26 -8.175 -3.234 1.819 1.00 0.00 N ATOM 393 CA GLU A 26 -7.907 -2.418 3.040 1.00 0.00 C ATOM 394 C GLU A 26 -6.431 -2.028 3.062 1.00 0.00 C ATOM 395 O GLU A 26 -6.082 -0.900 3.357 1.00 0.00 O ATOM 396 CB GLU A 26 -8.245 -3.329 4.222 1.00 0.00 C ATOM 397 CG GLU A 26 -8.205 -2.518 5.518 1.00 0.00 C ATOM 398 CD GLU A 26 -9.457 -1.644 5.610 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.527 -2.196 5.803 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.325 -0.437 5.488 1.00 0.00 O ATOM 0 H GLU A 26 -8.390 -4.216 1.993 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.494 -1.500 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.233 -3.768 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.534 -4.154 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.151 -3.187 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.311 -1.895 5.543 1.00 0.00 H new ATOM 407 N ALA A 27 -5.561 -2.952 2.728 1.00 0.00 N ATOM 408 CA ALA A 27 -4.097 -2.639 2.702 1.00 0.00 C ATOM 409 C ALA A 27 -3.844 -1.458 1.762 1.00 0.00 C ATOM 410 O ALA A 27 -3.133 -0.528 2.095 1.00 0.00 O ATOM 411 CB ALA A 27 -3.416 -3.901 2.164 1.00 0.00 C ATOM 0 H ALA A 27 -5.802 -3.910 2.472 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.715 -2.368 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.339 -3.742 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.631 -4.740 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.793 -4.120 1.165 1.00 0.00 H new ATOM 417 N GLU A 28 -4.445 -1.483 0.595 1.00 0.00 N ATOM 418 CA GLU A 28 -4.266 -0.355 -0.368 1.00 0.00 C ATOM 419 C GLU A 28 -4.730 0.947 0.287 1.00 0.00 C ATOM 420 O GLU A 28 -4.128 1.983 0.106 1.00 0.00 O ATOM 421 CB GLU A 28 -5.141 -0.696 -1.577 1.00 0.00 C ATOM 422 CG GLU A 28 -4.657 0.095 -2.796 1.00 0.00 C ATOM 423 CD GLU A 28 -5.784 0.186 -3.826 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.918 0.376 -3.418 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.494 0.063 -5.004 1.00 0.00 O ATOM 0 H GLU A 28 -5.051 -2.237 0.270 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.225 -0.223 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.095 -1.765 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.183 -0.456 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.345 1.095 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.786 -0.391 -3.236 1.00 0.00 H new ATOM 432 N LYS A 29 -5.780 0.889 1.071 1.00 0.00 N ATOM 433 CA LYS A 29 -6.266 2.120 1.767 1.00 0.00 C ATOM 434 C LYS A 29 -5.239 2.524 2.825 1.00 0.00 C ATOM 435 O LYS A 29 -4.775 3.650 2.864 1.00 0.00 O ATOM 436 CB LYS A 29 -7.592 1.722 2.423 1.00 0.00 C ATOM 437 CG LYS A 29 -8.609 1.314 1.345 1.00 0.00 C ATOM 438 CD LYS A 29 -9.843 2.221 1.420 1.00 0.00 C ATOM 439 CE LYS A 29 -9.509 3.587 0.816 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.677 4.450 1.149 1.00 0.00 N ATOM 0 H LYS A 29 -6.320 0.044 1.258 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.401 2.965 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.431 0.895 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.983 2.555 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.154 1.386 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.903 0.274 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.675 1.767 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.160 2.337 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.588 3.990 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.364 3.517 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.523 5.405 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.538 4.045 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.786 4.503 2.182 1.00 0.00 H new ATOM 454 N ILE A 30 -4.857 1.592 3.668 1.00 0.00 N ATOM 455 CA ILE A 30 -3.832 1.893 4.718 1.00 0.00 C ATOM 456 C ILE A 30 -2.553 2.381 4.033 1.00 0.00 C ATOM 457 O ILE A 30 -1.910 3.313 4.478 1.00 0.00 O ATOM 458 CB ILE A 30 -3.587 0.561 5.439 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.885 0.095 6.104 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.507 0.740 6.511 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.847 -1.425 6.278 1.00 0.00 C ATOM 0 H ILE A 30 -5.212 0.636 3.673 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.152 2.666 5.417 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.256 -0.182 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.006 0.580 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.742 0.381 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.338 -0.209 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.580 1.071 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.834 1.486 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.770 -1.760 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.746 -1.900 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.998 -1.698 6.904 1.00 0.00 H new ATOM 473 N PHE A 31 -2.204 1.762 2.935 1.00 0.00 N ATOM 474 CA PHE A 31 -0.990 2.188 2.185 1.00 0.00 C ATOM 475 C PHE A 31 -1.265 3.531 1.507 1.00 0.00 C ATOM 476 O PHE A 31 -0.404 4.385 1.426 1.00 0.00 O ATOM 477 CB PHE A 31 -0.752 1.090 1.141 1.00 0.00 C ATOM 478 CG PHE A 31 -0.049 -0.085 1.781 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.111 0.114 2.539 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.559 -1.378 1.609 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.760 -0.980 3.124 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.090 -2.470 2.194 1.00 0.00 C ATOM 483 CZ PHE A 31 1.251 -2.272 2.952 1.00 0.00 C ATOM 0 H PHE A 31 -2.711 0.977 2.526 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.119 2.316 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.703 0.768 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.151 1.481 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.505 1.111 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.454 -1.532 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.655 -0.826 3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.304 -3.467 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.753 -3.115 3.403 1.00 0.00 H new ATOM 493 N LYS A 32 -2.472 3.722 1.025 1.00 0.00 N ATOM 494 CA LYS A 32 -2.826 5.004 0.354 1.00 0.00 C ATOM 495 C LYS A 32 -3.085 6.120 1.377 1.00 0.00 C ATOM 496 O LYS A 32 -3.375 7.243 1.009 1.00 0.00 O ATOM 497 CB LYS A 32 -4.089 4.715 -0.454 1.00 0.00 C ATOM 498 CG LYS A 32 -3.703 4.001 -1.750 1.00 0.00 C ATOM 499 CD LYS A 32 -4.968 3.600 -2.510 1.00 0.00 C ATOM 500 CE LYS A 32 -4.615 3.287 -3.967 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.897 3.426 -4.712 1.00 0.00 N ATOM 0 H LYS A 32 -3.227 3.038 1.071 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.009 5.352 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.773 4.096 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.612 5.644 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.087 4.655 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.105 3.117 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.425 2.729 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.701 4.406 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.861 3.976 -4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.207 2.281 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.736 3.227 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.594 2.753 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.258 4.395 -4.604 1.00 0.00 H new ATOM 515 N GLN A 33 -2.934 5.842 2.651 1.00 0.00 N ATOM 516 CA GLN A 33 -3.115 6.910 3.683 1.00 0.00 C ATOM 517 C GLN A 33 -1.713 7.236 4.163 1.00 0.00 C ATOM 518 O GLN A 33 -1.289 8.371 4.237 1.00 0.00 O ATOM 519 CB GLN A 33 -3.953 6.276 4.789 1.00 0.00 C ATOM 520 CG GLN A 33 -4.764 7.360 5.502 1.00 0.00 C ATOM 521 CD GLN A 33 -5.950 6.719 6.230 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.369 5.628 5.895 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.513 7.358 7.219 1.00 0.00 N ATOM 0 H GLN A 33 -2.693 4.922 3.019 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.607 7.818 3.334 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.621 5.525 4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.306 5.764 5.501 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.132 7.892 6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.121 8.095 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.162 8.273 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.304 6.942 7.710 1.00 0.00 H new ATOM 532 N TYR A 34 -0.978 6.190 4.407 1.00 0.00 N ATOM 533 CA TYR A 34 0.452 6.287 4.801 1.00 0.00 C ATOM 534 C TYR A 34 1.196 7.156 3.761 1.00 0.00 C ATOM 535 O TYR A 34 2.132 7.866 4.074 1.00 0.00 O ATOM 536 CB TYR A 34 0.871 4.805 4.740 1.00 0.00 C ATOM 537 CG TYR A 34 2.364 4.637 4.528 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.262 5.021 5.530 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.842 4.094 3.329 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.639 4.861 5.334 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.219 3.934 3.133 1.00 0.00 C ATOM 542 CZ TYR A 34 5.117 4.318 4.136 1.00 0.00 C ATOM 543 OH TYR A 34 6.475 4.160 3.944 1.00 0.00 O ATOM 0 H TYR A 34 -1.326 5.233 4.346 1.00 0.00 H new ATOM 0 HA TYR A 34 0.659 6.747 5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.580 4.309 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.333 4.311 3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.893 5.441 6.454 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.149 3.799 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.332 5.157 6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.588 3.515 2.209 1.00 0.00 H new ATOM 0 HH TYR A 34 6.630 3.562 3.184 1.00 0.00 H new ATOM 553 N ALA A 35 0.751 7.100 2.529 1.00 0.00 N ATOM 554 CA ALA A 35 1.379 7.914 1.443 1.00 0.00 C ATOM 555 C ALA A 35 1.109 9.399 1.705 1.00 0.00 C ATOM 556 O ALA A 35 2.012 10.185 1.916 1.00 0.00 O ATOM 557 CB ALA A 35 0.662 7.483 0.159 1.00 0.00 C ATOM 0 H ALA A 35 -0.030 6.518 2.227 1.00 0.00 H new ATOM 0 HA ALA A 35 2.458 7.768 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.067 8.037 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.812 6.415 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.404 7.690 0.251 1.00 0.00 H new ATOM 563 N ASN A 36 -0.146 9.774 1.684 1.00 0.00 N ATOM 564 CA ASN A 36 -0.528 11.204 1.921 1.00 0.00 C ATOM 565 C ASN A 36 0.036 11.701 3.252 1.00 0.00 C ATOM 566 O ASN A 36 0.509 12.816 3.356 1.00 0.00 O ATOM 567 CB ASN A 36 -2.056 11.199 1.974 1.00 0.00 C ATOM 568 CG ASN A 36 -2.617 10.906 0.582 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.801 11.806 -0.214 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.900 9.676 0.252 1.00 0.00 N ATOM 0 H ASN A 36 -0.931 9.146 1.511 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.137 11.861 1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.403 10.447 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.421 12.163 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.275 9.470 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.746 8.920 0.920 1.00 0.00 H new ATOM 577 N ASP A 37 -0.017 10.878 4.271 1.00 0.00 N ATOM 578 CA ASP A 37 0.514 11.288 5.615 1.00 0.00 C ATOM 579 C ASP A 37 1.927 11.865 5.492 1.00 0.00 C ATOM 580 O ASP A 37 2.351 12.679 6.292 1.00 0.00 O ATOM 581 CB ASP A 37 0.529 10.006 6.450 1.00 0.00 C ATOM 582 CG ASP A 37 -0.780 9.891 7.234 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.104 10.827 7.946 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.433 8.869 7.110 1.00 0.00 O ATOM 0 H ASP A 37 -0.406 9.936 4.232 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.100 12.066 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.654 9.139 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.376 10.016 7.136 1.00 0.00 H new ATOM 589 N ASN A 38 2.644 11.449 4.489 1.00 0.00 N ATOM 590 CA ASN A 38 4.023 11.957 4.281 1.00 0.00 C ATOM 591 C ASN A 38 4.059 12.916 3.085 1.00 0.00 C ATOM 592 O ASN A 38 4.530 14.032 3.183 1.00 0.00 O ATOM 593 CB ASN A 38 4.869 10.714 4.004 1.00 0.00 C ATOM 594 CG ASN A 38 6.350 11.055 4.179 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.840 12.003 3.600 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.088 10.314 4.961 1.00 0.00 N ATOM 0 H ASN A 38 2.328 10.770 3.796 1.00 0.00 H new ATOM 0 HA ASN A 38 4.393 12.513 5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.587 9.910 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.685 10.354 2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.077 10.532 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.676 9.518 5.447 1.00 0.00 H new ATOM 603 N GLY A 39 3.567 12.475 1.956 1.00 0.00 N ATOM 604 CA GLY A 39 3.564 13.331 0.735 1.00 0.00 C ATOM 605 C GLY A 39 3.846 12.432 -0.462 1.00 0.00 C ATOM 606 O GLY A 39 4.863 12.549 -1.119 1.00 0.00 O ATOM 0 H GLY A 39 3.163 11.547 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.602 13.830 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.321 14.112 0.813 1.00 0.00 H new ATOM 610 N ILE A 40 2.968 11.500 -0.711 1.00 0.00 N ATOM 611 CA ILE A 40 3.173 10.532 -1.817 1.00 0.00 C ATOM 612 C ILE A 40 2.033 10.656 -2.838 1.00 0.00 C ATOM 613 O ILE A 40 0.875 10.731 -2.470 1.00 0.00 O ATOM 614 CB ILE A 40 3.115 9.212 -1.060 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.296 9.159 -0.039 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.104 8.019 -2.031 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.347 8.117 -0.413 1.00 0.00 C ATOM 0 H ILE A 40 2.104 11.369 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 40 4.089 10.665 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 40 2.183 9.144 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.767 10.140 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.904 8.935 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.062 7.089 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.232 8.087 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.010 8.034 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.145 8.122 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.886 7.130 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.762 8.354 -1.393 1.00 0.00 H new ATOM 629 N ASP A 41 2.347 10.681 -4.112 1.00 0.00 N ATOM 630 CA ASP A 41 1.269 10.805 -5.144 1.00 0.00 C ATOM 631 C ASP A 41 1.819 10.560 -6.554 1.00 0.00 C ATOM 632 O ASP A 41 2.402 11.435 -7.163 1.00 0.00 O ATOM 633 CB ASP A 41 0.759 12.242 -5.019 1.00 0.00 C ATOM 634 CG ASP A 41 -0.754 12.270 -5.242 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.426 11.392 -4.728 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.215 13.170 -5.925 1.00 0.00 O ATOM 0 H ASP A 41 3.297 10.621 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 41 0.481 10.068 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.999 12.639 -4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.256 12.880 -5.749 1.00 0.00 H new ATOM 641 N GLY A 42 1.620 9.376 -7.078 1.00 0.00 N ATOM 642 CA GLY A 42 2.109 9.063 -8.454 1.00 0.00 C ATOM 643 C GLY A 42 1.237 7.961 -9.063 1.00 0.00 C ATOM 644 O GLY A 42 0.141 8.213 -9.528 1.00 0.00 O ATOM 0 H GLY A 42 1.137 8.610 -6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.073 9.957 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.150 8.741 -8.418 1.00 0.00 H new ATOM 648 N GLU A 43 1.718 6.743 -9.068 1.00 0.00 N ATOM 649 CA GLU A 43 0.919 5.616 -9.653 1.00 0.00 C ATOM 650 C GLU A 43 0.748 4.479 -8.636 1.00 0.00 C ATOM 651 O GLU A 43 1.689 4.077 -7.990 1.00 0.00 O ATOM 652 CB GLU A 43 1.740 5.134 -10.848 1.00 0.00 C ATOM 653 CG GLU A 43 0.801 4.634 -11.947 1.00 0.00 C ATOM 654 CD GLU A 43 1.566 3.700 -12.886 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.933 2.622 -12.446 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.774 4.077 -14.027 1.00 0.00 O ATOM 0 H GLU A 43 2.629 6.478 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.084 5.935 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.360 5.946 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.414 4.335 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.046 4.109 -11.505 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.397 5.478 -12.506 1.00 0.00 H new ATOM 663 N TRP A 44 -0.447 3.955 -8.507 1.00 0.00 N ATOM 664 CA TRP A 44 -0.692 2.833 -7.542 1.00 0.00 C ATOM 665 C TRP A 44 -1.035 1.553 -8.299 1.00 0.00 C ATOM 666 O TRP A 44 -1.863 1.550 -9.189 1.00 0.00 O ATOM 667 CB TRP A 44 -1.890 3.277 -6.705 1.00 0.00 C ATOM 668 CG TRP A 44 -1.416 4.132 -5.585 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.235 5.471 -5.639 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.055 3.718 -4.246 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.780 5.905 -4.407 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.650 4.858 -3.514 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.038 2.470 -3.602 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.241 4.763 -2.187 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.626 2.371 -2.264 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.227 3.516 -1.560 1.00 0.00 C ATOM 0 H TRP A 44 -1.269 4.257 -9.031 1.00 0.00 H new ATOM 0 HA TRP A 44 0.185 2.626 -6.929 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.597 3.828 -7.325 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.419 2.407 -6.315 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.416 6.097 -6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.567 6.877 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.343 1.584 -4.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.063 5.647 -1.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.616 1.408 -1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.092 3.433 -0.531 1.00 0.00 H new ATOM 687 N THR A 45 -0.408 0.465 -7.939 1.00 0.00 N ATOM 688 CA THR A 45 -0.697 -0.830 -8.626 1.00 0.00 C ATOM 689 C THR A 45 -0.615 -1.962 -7.615 1.00 0.00 C ATOM 690 O THR A 45 0.328 -2.051 -6.855 1.00 0.00 O ATOM 691 CB THR A 45 0.381 -1.014 -9.705 1.00 0.00 C ATOM 692 OG1 THR A 45 1.602 -1.412 -9.098 1.00 0.00 O ATOM 693 CG2 THR A 45 0.597 0.289 -10.472 1.00 0.00 C ATOM 0 H THR A 45 0.292 0.416 -7.199 1.00 0.00 H new ATOM 0 HA THR A 45 -1.693 -0.832 -9.069 1.00 0.00 H new ATOM 0 HB THR A 45 0.049 -1.783 -10.402 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.495 -1.422 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.364 0.141 -11.232 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.335 0.588 -10.951 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.917 1.069 -9.781 1.00 0.00 H new ATOM 701 N TYR A 46 -1.587 -2.826 -7.609 1.00 0.00 N ATOM 702 CA TYR A 46 -1.569 -3.965 -6.648 1.00 0.00 C ATOM 703 C TYR A 46 -1.033 -5.224 -7.346 1.00 0.00 C ATOM 704 O TYR A 46 -1.387 -5.520 -8.472 1.00 0.00 O ATOM 705 CB TYR A 46 -3.031 -4.145 -6.208 1.00 0.00 C ATOM 706 CG TYR A 46 -3.170 -5.423 -5.406 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.399 -5.606 -4.254 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.050 -6.424 -5.827 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.508 -6.792 -3.520 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.162 -7.611 -5.093 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.391 -7.796 -3.940 1.00 0.00 C ATOM 712 OH TYR A 46 -3.500 -8.966 -3.218 1.00 0.00 O ATOM 0 H TYR A 46 -2.396 -2.795 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.921 -3.783 -5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.348 -3.292 -5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.682 -4.180 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.719 -4.832 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.643 -6.282 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.912 -6.934 -2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.843 -8.384 -5.417 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.157 -9.554 -3.646 1.00 0.00 H new ATOM 722 N ASP A 47 -0.194 -5.967 -6.672 1.00 0.00 N ATOM 723 CA ASP A 47 0.359 -7.216 -7.273 1.00 0.00 C ATOM 724 C ASP A 47 -0.271 -8.433 -6.593 1.00 0.00 C ATOM 725 O ASP A 47 0.141 -8.838 -5.522 1.00 0.00 O ATOM 726 CB ASP A 47 1.864 -7.166 -7.000 1.00 0.00 C ATOM 727 CG ASP A 47 2.468 -5.928 -7.668 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.068 -5.627 -8.781 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.318 -5.304 -7.056 1.00 0.00 O ATOM 0 H ASP A 47 0.133 -5.761 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 47 0.150 -7.293 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.048 -7.138 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.343 -8.068 -7.382 1.00 0.00 H new ATOM 734 N ASP A 48 -1.269 -9.016 -7.211 1.00 0.00 N ATOM 735 CA ASP A 48 -1.940 -10.212 -6.607 1.00 0.00 C ATOM 736 C ASP A 48 -1.015 -11.442 -6.612 1.00 0.00 C ATOM 737 O ASP A 48 -1.342 -12.469 -6.048 1.00 0.00 O ATOM 738 CB ASP A 48 -3.174 -10.467 -7.481 1.00 0.00 C ATOM 739 CG ASP A 48 -2.747 -10.708 -8.932 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.174 -11.753 -9.195 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.001 -9.843 -9.754 1.00 0.00 O ATOM 0 H ASP A 48 -1.649 -8.716 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.201 -10.033 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.723 -11.331 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.850 -9.613 -7.429 1.00 0.00 H new ATOM 746 N ALA A 49 0.134 -11.345 -7.235 1.00 0.00 N ATOM 747 CA ALA A 49 1.077 -12.501 -7.270 1.00 0.00 C ATOM 748 C ALA A 49 2.012 -12.441 -6.063 1.00 0.00 C ATOM 749 O ALA A 49 2.466 -13.455 -5.566 1.00 0.00 O ATOM 750 CB ALA A 49 1.863 -12.332 -8.570 1.00 0.00 C ATOM 0 H ALA A 49 0.459 -10.510 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 49 0.563 -13.462 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.581 -13.146 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.175 -12.348 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.394 -11.380 -8.553 1.00 0.00 H new ATOM 756 N THR A 50 2.288 -11.256 -5.579 1.00 0.00 N ATOM 757 CA THR A 50 3.176 -11.113 -4.393 1.00 0.00 C ATOM 758 C THR A 50 2.461 -10.322 -3.291 1.00 0.00 C ATOM 759 O THR A 50 3.051 -9.981 -2.283 1.00 0.00 O ATOM 760 CB THR A 50 4.395 -10.341 -4.901 1.00 0.00 C ATOM 761 OG1 THR A 50 3.973 -9.101 -5.451 1.00 0.00 O ATOM 762 CG2 THR A 50 5.105 -11.164 -5.975 1.00 0.00 C ATOM 0 H THR A 50 1.933 -10.379 -5.959 1.00 0.00 H new ATOM 0 HA THR A 50 3.453 -12.077 -3.965 1.00 0.00 H new ATOM 0 HB THR A 50 5.081 -10.155 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.753 -8.605 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.974 -10.616 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.427 -12.115 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.421 -11.349 -6.803 1.00 0.00 H new ATOM 770 N LYS A 51 1.189 -10.021 -3.473 1.00 0.00 N ATOM 771 CA LYS A 51 0.430 -9.244 -2.438 1.00 0.00 C ATOM 772 C LYS A 51 1.162 -7.937 -2.120 1.00 0.00 C ATOM 773 O LYS A 51 1.229 -7.513 -0.982 1.00 0.00 O ATOM 774 CB LYS A 51 0.367 -10.148 -1.200 1.00 0.00 C ATOM 775 CG LYS A 51 -0.316 -11.472 -1.560 1.00 0.00 C ATOM 776 CD LYS A 51 -1.816 -11.240 -1.756 1.00 0.00 C ATOM 777 CE LYS A 51 -2.451 -12.491 -2.371 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.771 -12.624 -1.694 1.00 0.00 N ATOM 0 H LYS A 51 0.647 -10.282 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.569 -8.975 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.373 -10.337 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.183 -9.650 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.121 -11.882 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.151 -12.204 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.287 -11.013 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.980 -10.380 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.569 -12.384 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.831 -13.372 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.267 -13.460 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.627 -12.731 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.342 -11.774 -1.877 1.00 0.00 H new ATOM 792 N THR A 52 1.718 -7.305 -3.123 1.00 0.00 N ATOM 793 CA THR A 52 2.456 -6.025 -2.886 1.00 0.00 C ATOM 794 C THR A 52 1.928 -4.921 -3.806 1.00 0.00 C ATOM 795 O THR A 52 1.670 -5.144 -4.973 1.00 0.00 O ATOM 796 CB THR A 52 3.914 -6.344 -3.219 1.00 0.00 C ATOM 797 OG1 THR A 52 4.269 -7.592 -2.642 1.00 0.00 O ATOM 798 CG2 THR A 52 4.818 -5.243 -2.660 1.00 0.00 C ATOM 0 H THR A 52 1.693 -7.618 -4.093 1.00 0.00 H new ATOM 0 HA THR A 52 2.335 -5.666 -1.864 1.00 0.00 H new ATOM 0 HB THR A 52 4.037 -6.398 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.203 -7.798 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.857 -5.470 -2.897 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.545 -4.287 -3.106 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.697 -5.187 -1.578 1.00 0.00 H new ATOM 806 N PHE A 53 1.773 -3.728 -3.287 1.00 0.00 N ATOM 807 CA PHE A 53 1.270 -2.601 -4.129 1.00 0.00 C ATOM 808 C PHE A 53 2.461 -1.839 -4.735 1.00 0.00 C ATOM 809 O PHE A 53 3.592 -2.274 -4.619 1.00 0.00 O ATOM 810 CB PHE A 53 0.465 -1.721 -3.171 1.00 0.00 C ATOM 811 CG PHE A 53 -0.815 -2.435 -2.784 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.797 -3.413 -1.780 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.020 -2.117 -3.426 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.982 -4.071 -1.418 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.201 -2.777 -3.063 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.182 -3.750 -2.060 1.00 0.00 C ATOM 0 H PHE A 53 1.973 -3.487 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 53 0.655 -2.933 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.054 -1.500 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.233 -0.767 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.130 -3.660 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.038 -1.364 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.967 -4.825 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.129 -2.533 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.095 -4.255 -1.780 1.00 0.00 H new ATOM 826 N THR A 54 2.233 -0.708 -5.373 1.00 0.00 N ATOM 827 CA THR A 54 3.365 0.058 -5.969 1.00 0.00 C ATOM 828 C THR A 54 2.925 1.503 -6.104 1.00 0.00 C ATOM 829 O THR A 54 2.225 1.863 -7.028 1.00 0.00 O ATOM 830 CB THR A 54 3.630 -0.560 -7.349 1.00 0.00 C ATOM 831 OG1 THR A 54 3.282 -1.940 -7.342 1.00 0.00 O ATOM 832 CG2 THR A 54 5.113 -0.414 -7.692 1.00 0.00 C ATOM 0 H THR A 54 1.312 -0.290 -5.502 1.00 0.00 H new ATOM 0 HA THR A 54 4.270 0.020 -5.362 1.00 0.00 H new ATOM 0 HB THR A 54 3.024 -0.043 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.952 -2.199 -8.228 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.305 -0.852 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.380 0.643 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.713 -0.928 -6.941 1.00 0.00 H new ATOM 840 N VAL A 55 3.311 2.318 -5.171 1.00 0.00 N ATOM 841 CA VAL A 55 2.892 3.751 -5.207 1.00 0.00 C ATOM 842 C VAL A 55 4.005 4.636 -5.778 1.00 0.00 C ATOM 843 O VAL A 55 4.836 5.160 -5.061 1.00 0.00 O ATOM 844 CB VAL A 55 2.525 4.131 -3.750 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.632 3.730 -2.772 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.285 5.640 -3.644 1.00 0.00 C ATOM 0 H VAL A 55 3.900 2.059 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 55 2.036 3.903 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 55 1.616 3.590 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.342 4.011 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.786 2.652 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.557 4.241 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.028 5.896 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.190 6.174 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.466 5.926 -4.305 1.00 0.00 H new ATOM 856 N THR A 56 3.993 4.826 -7.072 1.00 0.00 N ATOM 857 CA THR A 56 5.010 5.704 -7.716 1.00 0.00 C ATOM 858 C THR A 56 4.713 7.153 -7.296 1.00 0.00 C ATOM 859 O THR A 56 3.691 7.428 -6.696 1.00 0.00 O ATOM 860 CB THR A 56 4.820 5.457 -9.236 1.00 0.00 C ATOM 861 OG1 THR A 56 5.670 4.395 -9.641 1.00 0.00 O ATOM 862 CG2 THR A 56 5.153 6.704 -10.069 1.00 0.00 C ATOM 0 H THR A 56 3.318 4.408 -7.712 1.00 0.00 H new ATOM 0 HA THR A 56 6.043 5.503 -7.432 1.00 0.00 H new ATOM 0 HB THR A 56 3.772 5.208 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.595 4.715 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.006 6.485 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.499 7.524 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.191 6.989 -9.898 1.00 0.00 H new ATOM 870 N GLU A 57 5.592 8.070 -7.603 1.00 0.00 N ATOM 871 CA GLU A 57 5.356 9.494 -7.219 1.00 0.00 C ATOM 872 C GLU A 57 5.628 10.417 -8.409 1.00 0.00 C ATOM 873 O GLU A 57 6.783 10.741 -8.630 1.00 0.00 O ATOM 874 CB GLU A 57 6.350 9.766 -6.090 1.00 0.00 C ATOM 875 CG GLU A 57 5.862 10.952 -5.255 1.00 0.00 C ATOM 876 CD GLU A 57 7.067 11.739 -4.736 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.645 12.480 -5.514 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.390 11.587 -3.570 1.00 0.00 O ATOM 879 OXT GLU A 57 4.677 10.782 -9.080 1.00 0.00 O ATOM 0 H GLU A 57 6.464 7.895 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 57 4.326 9.674 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.452 8.882 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.336 9.979 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.225 11.598 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.258 10.598 -4.420 1.00 0.00 H new TER 886 GLU A 57