USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= -1.25 K(o=-2.4,f=0.43) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -1.18 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.0653 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.0634 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.702 USER MOD Set 3.2: A 54 THR OG1 : rot 119:sc= -0.0913 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00946) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -163:sc= -0.887 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 21:sc= 1.22 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= -0.0207 K(o=-0.021,f=-1.1) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.99 USER MOD Single : A 36 ASN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.0041) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.912 -12.829 8.917 1.00 0.00 N ATOM 2 CA MET A 1 -1.609 -13.698 7.924 1.00 0.00 C ATOM 3 C MET A 1 -1.818 -12.938 6.612 1.00 0.00 C ATOM 4 O MET A 1 -1.605 -13.469 5.537 1.00 0.00 O ATOM 5 CB MET A 1 -2.954 -14.037 8.568 1.00 0.00 C ATOM 6 CG MET A 1 -2.883 -15.428 9.204 1.00 0.00 C ATOM 7 SD MET A 1 -4.403 -15.746 10.130 1.00 0.00 S ATOM 8 CE MET A 1 -3.622 -16.380 11.633 1.00 0.00 C ATOM 0 H1 MET A 1 -0.730 -13.371 9.786 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.009 -12.501 8.518 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.510 -12.008 9.140 1.00 0.00 H new ATOM 0 HA MET A 1 -1.036 -14.593 7.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.204 -13.293 9.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.745 -14.009 7.818 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.749 -16.186 8.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.020 -15.493 9.867 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.391 -16.645 12.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.032 -17.264 11.391 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.972 -15.614 12.056 1.00 0.00 H new ATOM 20 N THR A 2 -2.233 -11.700 6.694 1.00 0.00 N ATOM 21 CA THR A 2 -2.459 -10.897 5.455 1.00 0.00 C ATOM 22 C THR A 2 -1.538 -9.674 5.439 1.00 0.00 C ATOM 23 O THR A 2 -1.922 -8.603 5.008 1.00 0.00 O ATOM 24 CB THR A 2 -3.924 -10.465 5.524 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.748 -11.613 5.670 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.301 -9.724 4.241 1.00 0.00 C ATOM 0 H THR A 2 -2.425 -11.210 7.567 1.00 0.00 H new ATOM 0 HA THR A 2 -2.244 -11.466 4.551 1.00 0.00 H new ATOM 0 HB THR A 2 -4.068 -9.803 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.687 -11.338 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.346 -9.417 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.669 -8.843 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.158 -10.383 3.385 1.00 0.00 H new ATOM 34 N THR A 3 -0.325 -9.829 5.905 1.00 0.00 N ATOM 35 CA THR A 3 0.629 -8.676 5.918 1.00 0.00 C ATOM 36 C THR A 3 0.909 -8.210 4.488 1.00 0.00 C ATOM 37 O THR A 3 1.860 -8.638 3.862 1.00 0.00 O ATOM 38 CB THR A 3 1.907 -9.212 6.565 1.00 0.00 C ATOM 39 OG1 THR A 3 1.572 -9.940 7.739 1.00 0.00 O ATOM 40 CG2 THR A 3 2.824 -8.044 6.931 1.00 0.00 C ATOM 0 H THR A 3 0.047 -10.703 6.277 1.00 0.00 H new ATOM 0 HA THR A 3 0.230 -7.821 6.463 1.00 0.00 H new ATOM 0 HB THR A 3 2.422 -9.869 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.390 -10.285 8.154 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.734 -8.427 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.080 -7.486 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.312 -7.385 7.632 1.00 0.00 H new ATOM 48 N PHE A 4 0.086 -7.333 3.971 1.00 0.00 N ATOM 49 CA PHE A 4 0.300 -6.829 2.581 1.00 0.00 C ATOM 50 C PHE A 4 1.514 -5.900 2.544 1.00 0.00 C ATOM 51 O PHE A 4 1.696 -5.072 3.416 1.00 0.00 O ATOM 52 CB PHE A 4 -0.978 -6.064 2.226 1.00 0.00 C ATOM 53 CG PHE A 4 -1.943 -6.995 1.531 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.699 -7.395 0.214 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.080 -7.460 2.204 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.589 -8.259 -0.434 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.969 -8.325 1.556 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.724 -8.725 0.238 1.00 0.00 C ATOM 0 H PHE A 4 -0.725 -6.944 4.452 1.00 0.00 H new ATOM 0 HA PHE A 4 0.493 -7.636 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.434 -5.657 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.741 -5.219 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.822 -7.037 -0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.270 -7.151 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.400 -8.566 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.846 -8.684 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.411 -9.393 -0.260 1.00 0.00 H new ATOM 68 N LYS A 5 2.346 -6.037 1.543 1.00 0.00 N ATOM 69 CA LYS A 5 3.556 -5.168 1.444 1.00 0.00 C ATOM 70 C LYS A 5 3.305 -4.019 0.464 1.00 0.00 C ATOM 71 O LYS A 5 2.240 -3.909 -0.116 1.00 0.00 O ATOM 72 CB LYS A 5 4.659 -6.087 0.916 1.00 0.00 C ATOM 73 CG LYS A 5 5.134 -7.021 2.035 1.00 0.00 C ATOM 74 CD LYS A 5 5.350 -8.429 1.476 1.00 0.00 C ATOM 75 CE LYS A 5 5.111 -9.460 2.582 1.00 0.00 C ATOM 76 NZ LYS A 5 5.208 -10.782 1.902 1.00 0.00 N ATOM 0 H LYS A 5 2.239 -6.715 0.789 1.00 0.00 H new ATOM 0 HA LYS A 5 3.820 -4.718 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.287 -6.672 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.495 -5.493 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.061 -6.645 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.397 -7.047 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.670 -8.609 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.364 -8.526 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.853 -9.368 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.133 -9.324 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.055 -11.541 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.485 -10.843 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.152 -10.886 1.478 1.00 0.00 H new ATOM 90 N LEU A 6 4.279 -3.163 0.274 1.00 0.00 N ATOM 91 CA LEU A 6 4.100 -2.019 -0.668 1.00 0.00 C ATOM 92 C LEU A 6 5.454 -1.419 -1.043 1.00 0.00 C ATOM 93 O LEU A 6 6.165 -0.906 -0.203 1.00 0.00 O ATOM 94 CB LEU A 6 3.271 -0.982 0.111 1.00 0.00 C ATOM 95 CG LEU A 6 2.566 0.059 -0.812 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.575 1.429 -0.118 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.252 0.205 -2.187 1.00 0.00 C ATOM 0 H LEU A 6 5.190 -3.209 0.731 1.00 0.00 H new ATOM 0 HA LEU A 6 3.615 -2.330 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.518 -1.500 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.922 -0.457 0.810 1.00 0.00 H new ATOM 0 HG LEU A 6 1.551 -0.300 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.084 2.163 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.043 1.360 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.604 1.738 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.716 0.943 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.283 0.531 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.242 -0.755 -2.702 1.00 0.00 H new ATOM 109 N ILE A 7 5.796 -1.451 -2.304 1.00 0.00 N ATOM 110 CA ILE A 7 7.087 -0.849 -2.747 1.00 0.00 C ATOM 111 C ILE A 7 6.826 0.603 -3.150 1.00 0.00 C ATOM 112 O ILE A 7 6.110 0.862 -4.101 1.00 0.00 O ATOM 113 CB ILE A 7 7.525 -1.675 -3.959 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.725 -3.133 -3.541 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.843 -1.120 -4.507 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.816 -4.013 -4.789 1.00 0.00 C ATOM 0 H ILE A 7 5.236 -1.869 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 7 7.853 -0.855 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 7 6.756 -1.619 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.634 -3.231 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.896 -3.459 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.155 -1.708 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.704 -0.081 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.610 -1.175 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.959 -5.052 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.895 -3.923 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.659 -3.691 -5.400 1.00 0.00 H new ATOM 128 N ILE A 8 7.377 1.552 -2.432 1.00 0.00 N ATOM 129 CA ILE A 8 7.122 2.976 -2.793 1.00 0.00 C ATOM 130 C ILE A 8 8.187 3.451 -3.789 1.00 0.00 C ATOM 131 O ILE A 8 9.367 3.454 -3.492 1.00 0.00 O ATOM 132 CB ILE A 8 7.181 3.803 -1.493 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.034 3.411 -0.555 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.011 5.286 -1.835 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.322 2.064 0.084 1.00 0.00 C ATOM 0 H ILE A 8 7.982 1.403 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 8 6.146 3.094 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 8 8.139 3.615 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.910 4.170 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.098 3.366 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.052 5.877 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.812 5.599 -2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.049 5.439 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.502 1.794 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.424 1.307 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.248 2.123 0.656 1.00 0.00 H new ATOM 147 N ASN A 9 7.776 3.857 -4.962 1.00 0.00 N ATOM 148 CA ASN A 9 8.757 4.340 -5.977 1.00 0.00 C ATOM 149 C ASN A 9 8.738 5.871 -6.039 1.00 0.00 C ATOM 150 O ASN A 9 8.513 6.457 -7.081 1.00 0.00 O ATOM 151 CB ASN A 9 8.280 3.734 -7.301 1.00 0.00 C ATOM 152 CG ASN A 9 9.230 4.144 -8.429 1.00 0.00 C ATOM 153 OD1 ASN A 9 10.315 3.609 -8.550 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.865 5.075 -9.266 1.00 0.00 N ATOM 0 H ASN A 9 6.801 3.875 -5.261 1.00 0.00 H new ATOM 0 HA ASN A 9 9.781 4.048 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.242 2.648 -7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.268 4.073 -7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.490 5.354 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.955 5.524 -9.164 1.00 0.00 H new ATOM 161 N GLY A 10 8.972 6.521 -4.925 1.00 0.00 N ATOM 162 CA GLY A 10 8.970 8.015 -4.904 1.00 0.00 C ATOM 163 C GLY A 10 10.098 8.521 -4.002 1.00 0.00 C ATOM 164 O GLY A 10 10.773 7.749 -3.348 1.00 0.00 O ATOM 0 H GLY A 10 9.165 6.078 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.098 8.402 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.010 8.382 -4.542 1.00 0.00 H new ATOM 168 N LYS A 11 10.308 9.814 -3.966 1.00 0.00 N ATOM 169 CA LYS A 11 11.399 10.379 -3.110 1.00 0.00 C ATOM 170 C LYS A 11 11.043 10.245 -1.622 1.00 0.00 C ATOM 171 O LYS A 11 11.883 9.917 -0.805 1.00 0.00 O ATOM 172 CB LYS A 11 11.520 11.856 -3.522 1.00 0.00 C ATOM 173 CG LYS A 11 10.236 12.622 -3.175 1.00 0.00 C ATOM 174 CD LYS A 11 10.321 14.043 -3.733 1.00 0.00 C ATOM 175 CE LYS A 11 8.936 14.691 -3.693 1.00 0.00 C ATOM 176 NZ LYS A 11 9.196 16.143 -3.490 1.00 0.00 N ATOM 0 H LYS A 11 9.771 10.503 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 11 12.341 9.849 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.370 12.312 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.713 11.926 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.370 12.108 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.099 12.652 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.027 14.633 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.695 14.021 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.390 14.513 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.332 14.281 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.292 16.656 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.711 16.282 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.767 16.507 -4.279 1.00 0.00 H new ATOM 190 N THR A 12 9.807 10.495 -1.269 1.00 0.00 N ATOM 191 CA THR A 12 9.394 10.383 0.164 1.00 0.00 C ATOM 192 C THR A 12 9.239 8.917 0.547 1.00 0.00 C ATOM 193 O THR A 12 8.394 8.221 0.026 1.00 0.00 O ATOM 194 CB THR A 12 8.057 11.119 0.261 1.00 0.00 C ATOM 195 OG1 THR A 12 7.268 10.822 -0.884 1.00 0.00 O ATOM 196 CG2 THR A 12 8.313 12.626 0.336 1.00 0.00 C ATOM 0 H THR A 12 9.065 10.772 -1.912 1.00 0.00 H new ATOM 0 HA THR A 12 10.132 10.811 0.842 1.00 0.00 H new ATOM 0 HB THR A 12 7.525 10.797 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.550 11.484 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.362 13.154 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.917 12.849 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.843 12.950 -0.560 1.00 0.00 H new ATOM 204 N LEU A 13 10.064 8.447 1.453 1.00 0.00 N ATOM 205 CA LEU A 13 10.007 7.017 1.891 1.00 0.00 C ATOM 206 C LEU A 13 10.260 6.095 0.681 1.00 0.00 C ATOM 207 O LEU A 13 10.051 6.475 -0.454 1.00 0.00 O ATOM 208 CB LEU A 13 8.603 6.842 2.551 1.00 0.00 C ATOM 209 CG LEU A 13 7.646 5.992 1.700 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.952 4.500 1.904 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.202 6.282 2.119 1.00 0.00 C ATOM 0 H LEU A 13 10.785 9.003 1.914 1.00 0.00 H new ATOM 0 HA LEU A 13 10.777 6.746 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.722 6.377 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.160 7.824 2.717 1.00 0.00 H new ATOM 0 HG LEU A 13 7.779 6.243 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.270 3.903 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.979 4.295 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.823 4.243 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.521 5.681 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.072 6.033 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.984 7.339 1.966 1.00 0.00 H new ATOM 223 N LYS A 14 10.712 4.889 0.923 1.00 0.00 N ATOM 224 CA LYS A 14 10.980 3.946 -0.199 1.00 0.00 C ATOM 225 C LYS A 14 11.299 2.549 0.343 1.00 0.00 C ATOM 226 O LYS A 14 12.177 2.380 1.168 1.00 0.00 O ATOM 227 CB LYS A 14 12.188 4.525 -0.948 1.00 0.00 C ATOM 228 CG LYS A 14 13.389 4.658 0.005 1.00 0.00 C ATOM 229 CD LYS A 14 14.489 3.673 -0.403 1.00 0.00 C ATOM 230 CE LYS A 14 15.029 4.051 -1.784 1.00 0.00 C ATOM 231 NZ LYS A 14 16.503 3.868 -1.685 1.00 0.00 N ATOM 0 H LYS A 14 10.906 4.519 1.853 1.00 0.00 H new ATOM 0 HA LYS A 14 10.116 3.842 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.449 3.879 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.934 5.500 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.774 5.678 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.075 4.462 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.295 3.688 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.093 2.657 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.604 3.416 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.775 5.080 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.945 4.108 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.881 4.490 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.715 2.878 -1.448 1.00 0.00 H new ATOM 245 N GLY A 15 10.589 1.552 -0.121 1.00 0.00 N ATOM 246 CA GLY A 15 10.843 0.161 0.357 1.00 0.00 C ATOM 247 C GLY A 15 9.514 -0.512 0.703 1.00 0.00 C ATOM 248 O GLY A 15 8.465 -0.108 0.236 1.00 0.00 O ATOM 0 H GLY A 15 9.843 1.642 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.362 -0.410 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.492 0.179 1.232 1.00 0.00 H new ATOM 252 N GLU A 16 9.554 -1.537 1.517 1.00 0.00 N ATOM 253 CA GLU A 16 8.300 -2.251 1.905 1.00 0.00 C ATOM 254 C GLU A 16 7.973 -1.980 3.376 1.00 0.00 C ATOM 255 O GLU A 16 8.855 -1.833 4.200 1.00 0.00 O ATOM 256 CB GLU A 16 8.608 -3.733 1.690 1.00 0.00 C ATOM 257 CG GLU A 16 8.253 -4.129 0.253 1.00 0.00 C ATOM 258 CD GLU A 16 9.504 -4.052 -0.624 1.00 0.00 C ATOM 259 OE1 GLU A 16 10.245 -3.093 -0.484 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.700 -4.954 -1.422 1.00 0.00 O ATOM 0 H GLU A 16 10.407 -1.912 1.932 1.00 0.00 H new ATOM 0 HA GLU A 16 7.439 -1.924 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.663 -3.927 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.040 -4.339 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.845 -5.139 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.481 -3.466 -0.138 1.00 0.00 H new ATOM 267 N ILE A 17 6.708 -1.913 3.707 1.00 0.00 N ATOM 268 CA ILE A 17 6.309 -1.652 5.125 1.00 0.00 C ATOM 269 C ILE A 17 5.602 -2.878 5.724 1.00 0.00 C ATOM 270 O ILE A 17 5.474 -2.987 6.926 1.00 0.00 O ATOM 271 CB ILE A 17 5.351 -0.455 5.055 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.065 0.752 4.420 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.876 -0.087 6.466 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.287 1.151 5.258 1.00 0.00 C ATOM 0 H ILE A 17 5.932 -2.028 3.055 1.00 0.00 H new ATOM 0 HA ILE A 17 7.171 -1.449 5.761 1.00 0.00 H new ATOM 0 HB ILE A 17 4.490 -0.725 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.377 0.506 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.376 1.593 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.196 0.763 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.358 -0.938 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.736 0.175 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.781 2.006 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.966 1.418 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.983 0.313 5.309 1.00 0.00 H new ATOM 286 N THR A 18 5.143 -3.793 4.893 1.00 0.00 N ATOM 287 CA THR A 18 4.440 -5.029 5.389 1.00 0.00 C ATOM 288 C THR A 18 3.405 -4.705 6.478 1.00 0.00 C ATOM 289 O THR A 18 3.735 -4.583 7.643 1.00 0.00 O ATOM 290 CB THR A 18 5.544 -5.942 5.946 1.00 0.00 C ATOM 291 OG1 THR A 18 6.196 -5.308 7.034 1.00 0.00 O ATOM 292 CG2 THR A 18 6.566 -6.253 4.848 1.00 0.00 C ATOM 0 H THR A 18 5.227 -3.734 3.878 1.00 0.00 H new ATOM 0 HA THR A 18 3.883 -5.505 4.582 1.00 0.00 H new ATOM 0 HB THR A 18 5.091 -6.871 6.292 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.616 -4.608 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.346 -6.900 5.249 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.068 -6.756 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.013 -5.324 4.493 1.00 0.00 H new ATOM 300 N ILE A 19 2.154 -4.584 6.106 1.00 0.00 N ATOM 301 CA ILE A 19 1.093 -4.283 7.122 1.00 0.00 C ATOM 302 C ILE A 19 -0.042 -5.309 7.034 1.00 0.00 C ATOM 303 O ILE A 19 -0.429 -5.731 5.960 1.00 0.00 O ATOM 304 CB ILE A 19 0.586 -2.864 6.806 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.075 -2.818 5.419 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.757 -1.880 6.838 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.585 -3.025 5.556 1.00 0.00 C ATOM 0 H ILE A 19 1.821 -4.680 5.147 1.00 0.00 H new ATOM 0 HA ILE A 19 1.484 -4.339 8.138 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.153 -2.588 7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.128 -1.860 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.350 -3.590 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.395 -0.876 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.213 -1.889 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.499 -2.173 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.048 -2.991 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.779 -3.994 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.005 -2.237 6.181 1.00 0.00 H new ATOM 319 N GLU A 20 -0.573 -5.713 8.162 1.00 0.00 N ATOM 320 CA GLU A 20 -1.681 -6.714 8.162 1.00 0.00 C ATOM 321 C GLU A 20 -3.010 -6.040 7.812 1.00 0.00 C ATOM 322 O GLU A 20 -3.211 -4.870 8.079 1.00 0.00 O ATOM 323 CB GLU A 20 -1.721 -7.267 9.587 1.00 0.00 C ATOM 324 CG GLU A 20 -0.411 -7.998 9.890 1.00 0.00 C ATOM 325 CD GLU A 20 -0.564 -9.481 9.550 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.946 -9.776 8.430 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.295 -10.298 10.417 1.00 0.00 O ATOM 0 H GLU A 20 -0.284 -5.390 9.086 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.521 -7.500 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.869 -6.455 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.564 -7.948 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.403 -7.563 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.151 -7.880 10.942 1.00 0.00 H new ATOM 334 N ALA A 21 -3.915 -6.774 7.218 1.00 0.00 N ATOM 335 CA ALA A 21 -5.237 -6.189 6.844 1.00 0.00 C ATOM 336 C ALA A 21 -6.211 -7.302 6.449 1.00 0.00 C ATOM 337 O ALA A 21 -5.808 -8.392 6.095 1.00 0.00 O ATOM 338 CB ALA A 21 -4.941 -5.285 5.645 1.00 0.00 C ATOM 0 H ALA A 21 -3.795 -7.757 6.975 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.697 -5.640 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.864 -4.815 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.227 -4.515 5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.520 -5.881 4.835 1.00 0.00 H new ATOM 344 N VAL A 22 -7.492 -7.033 6.511 1.00 0.00 N ATOM 345 CA VAL A 22 -8.505 -8.071 6.142 1.00 0.00 C ATOM 346 C VAL A 22 -8.249 -8.586 4.716 1.00 0.00 C ATOM 347 O VAL A 22 -8.373 -9.765 4.439 1.00 0.00 O ATOM 348 CB VAL A 22 -9.863 -7.360 6.236 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.904 -6.175 5.266 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.984 -8.344 5.886 1.00 0.00 C ATOM 0 H VAL A 22 -7.881 -6.136 6.802 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.462 -8.941 6.798 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.002 -6.994 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.871 -5.677 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.113 -5.470 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.758 -6.534 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.947 -7.838 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.839 -8.715 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.965 -9.181 6.584 1.00 0.00 H new ATOM 360 N ASP A 23 -7.886 -7.706 3.822 1.00 0.00 N ATOM 361 CA ASP A 23 -7.608 -8.118 2.414 1.00 0.00 C ATOM 362 C ASP A 23 -6.738 -7.056 1.738 1.00 0.00 C ATOM 363 O ASP A 23 -6.404 -6.053 2.344 1.00 0.00 O ATOM 364 CB ASP A 23 -8.982 -8.210 1.736 1.00 0.00 C ATOM 365 CG ASP A 23 -9.723 -6.866 1.825 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.154 -5.916 2.342 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.854 -6.811 1.369 1.00 0.00 O ATOM 0 H ASP A 23 -7.769 -6.710 4.008 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.074 -9.066 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.859 -8.495 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.576 -8.991 2.211 1.00 0.00 H new ATOM 372 N ALA A 24 -6.369 -7.257 0.497 1.00 0.00 N ATOM 373 CA ALA A 24 -5.520 -6.240 -0.193 1.00 0.00 C ATOM 374 C ALA A 24 -6.303 -4.936 -0.345 1.00 0.00 C ATOM 375 O ALA A 24 -5.734 -3.861 -0.363 1.00 0.00 O ATOM 376 CB ALA A 24 -5.182 -6.830 -1.560 1.00 0.00 C ATOM 0 H ALA A 24 -6.616 -8.073 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.614 -6.014 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.559 -6.129 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.643 -7.768 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.102 -7.015 -2.114 1.00 0.00 H new ATOM 382 N ALA A 25 -7.609 -5.024 -0.445 1.00 0.00 N ATOM 383 CA ALA A 25 -8.443 -3.792 -0.586 1.00 0.00 C ATOM 384 C ALA A 25 -8.170 -2.842 0.583 1.00 0.00 C ATOM 385 O ALA A 25 -7.891 -1.673 0.393 1.00 0.00 O ATOM 386 CB ALA A 25 -9.895 -4.279 -0.554 1.00 0.00 C ATOM 0 H ALA A 25 -8.132 -5.899 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.222 -3.247 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.567 -3.426 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.065 -4.972 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.088 -4.785 0.392 1.00 0.00 H new ATOM 392 N GLU A 26 -8.232 -3.348 1.789 1.00 0.00 N ATOM 393 CA GLU A 26 -7.955 -2.488 2.978 1.00 0.00 C ATOM 394 C GLU A 26 -6.483 -2.081 2.963 1.00 0.00 C ATOM 395 O GLU A 26 -6.141 -0.944 3.224 1.00 0.00 O ATOM 396 CB GLU A 26 -8.265 -3.360 4.199 1.00 0.00 C ATOM 397 CG GLU A 26 -9.563 -2.884 4.857 1.00 0.00 C ATOM 398 CD GLU A 26 -9.298 -1.592 5.632 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.563 -0.760 5.125 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.832 -1.458 6.720 1.00 0.00 O ATOM 0 H GLU A 26 -8.462 -4.319 2.001 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.553 -1.576 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.360 -4.403 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.443 -3.308 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.327 -2.715 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.945 -3.652 5.529 1.00 0.00 H new ATOM 407 N ALA A 27 -5.610 -3.005 2.641 1.00 0.00 N ATOM 408 CA ALA A 27 -4.148 -2.680 2.583 1.00 0.00 C ATOM 409 C ALA A 27 -3.921 -1.505 1.628 1.00 0.00 C ATOM 410 O ALA A 27 -3.224 -0.561 1.948 1.00 0.00 O ATOM 411 CB ALA A 27 -3.466 -3.940 2.047 1.00 0.00 C ATOM 0 H ALA A 27 -5.846 -3.971 2.415 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.751 -2.396 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.391 -3.771 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.660 -4.774 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.860 -4.174 1.058 1.00 0.00 H new ATOM 417 N GLU A 28 -4.529 -1.551 0.463 1.00 0.00 N ATOM 418 CA GLU A 28 -4.370 -0.428 -0.511 1.00 0.00 C ATOM 419 C GLU A 28 -4.854 0.872 0.133 1.00 0.00 C ATOM 420 O GLU A 28 -4.270 1.915 -0.058 1.00 0.00 O ATOM 421 CB GLU A 28 -5.242 -0.793 -1.716 1.00 0.00 C ATOM 422 CG GLU A 28 -4.765 -0.021 -2.953 1.00 0.00 C ATOM 423 CD GLU A 28 -5.696 -0.318 -4.130 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.862 0.033 -4.041 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.229 -0.889 -5.101 1.00 0.00 O ATOM 0 H GLU A 28 -5.126 -2.316 0.149 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.332 -0.282 -0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.190 -1.866 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.285 -0.556 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.754 1.049 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.743 -0.308 -3.202 1.00 0.00 H new ATOM 432 N LYS A 29 -5.902 0.807 0.919 1.00 0.00 N ATOM 433 CA LYS A 29 -6.407 2.038 1.601 1.00 0.00 C ATOM 434 C LYS A 29 -5.391 2.475 2.660 1.00 0.00 C ATOM 435 O LYS A 29 -4.952 3.613 2.687 1.00 0.00 O ATOM 436 CB LYS A 29 -7.728 1.630 2.256 1.00 0.00 C ATOM 437 CG LYS A 29 -8.810 1.461 1.183 1.00 0.00 C ATOM 438 CD LYS A 29 -9.726 2.687 1.175 1.00 0.00 C ATOM 439 CE LYS A 29 -8.938 3.913 0.709 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.960 4.827 0.127 1.00 0.00 N ATOM 0 H LYS A 29 -6.428 -0.044 1.117 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.550 2.872 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.599 0.697 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.035 2.386 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.348 1.334 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.393 0.561 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.575 2.515 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.129 2.859 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.414 4.385 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.185 3.641 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.497 5.693 -0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.438 4.353 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.660 5.074 0.856 1.00 0.00 H new ATOM 454 N ILE A 30 -4.993 1.564 3.516 1.00 0.00 N ATOM 455 CA ILE A 30 -3.983 1.902 4.567 1.00 0.00 C ATOM 456 C ILE A 30 -2.703 2.392 3.885 1.00 0.00 C ATOM 457 O ILE A 30 -2.049 3.308 4.343 1.00 0.00 O ATOM 458 CB ILE A 30 -3.723 0.592 5.324 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.012 0.119 6.003 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.649 0.814 6.394 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.792 -1.274 6.601 1.00 0.00 C ATOM 0 H ILE A 30 -5.325 0.600 3.531 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.324 2.686 5.243 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.384 -0.163 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.302 0.821 6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.828 0.092 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.469 -0.119 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.725 1.145 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.988 1.575 7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.709 -1.611 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.522 -1.972 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.989 -1.232 7.336 1.00 0.00 H new ATOM 473 N PHE A 31 -2.362 1.783 2.780 1.00 0.00 N ATOM 474 CA PHE A 31 -1.142 2.198 2.031 1.00 0.00 C ATOM 475 C PHE A 31 -1.413 3.515 1.301 1.00 0.00 C ATOM 476 O PHE A 31 -0.559 4.377 1.215 1.00 0.00 O ATOM 477 CB PHE A 31 -0.886 1.067 1.029 1.00 0.00 C ATOM 478 CG PHE A 31 -0.078 -0.030 1.684 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.112 0.277 2.355 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.519 -1.356 1.611 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.861 -0.742 2.952 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.231 -2.376 2.210 1.00 0.00 C ATOM 483 CZ PHE A 31 1.422 -2.069 2.880 1.00 0.00 C ATOM 0 H PHE A 31 -2.881 1.011 2.362 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.283 2.359 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.834 0.667 0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.353 1.453 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.451 1.301 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.437 -1.593 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.779 -0.505 3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.109 -3.400 2.155 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.001 -2.856 3.341 1.00 0.00 H new ATOM 493 N LYS A 32 -2.603 3.672 0.777 1.00 0.00 N ATOM 494 CA LYS A 32 -2.955 4.925 0.050 1.00 0.00 C ATOM 495 C LYS A 32 -3.211 6.086 1.023 1.00 0.00 C ATOM 496 O LYS A 32 -3.457 7.201 0.602 1.00 0.00 O ATOM 497 CB LYS A 32 -4.223 4.603 -0.741 1.00 0.00 C ATOM 498 CG LYS A 32 -3.859 3.785 -1.985 1.00 0.00 C ATOM 499 CD LYS A 32 -3.810 4.701 -3.211 1.00 0.00 C ATOM 500 CE LYS A 32 -5.210 5.253 -3.493 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.147 5.756 -4.893 1.00 0.00 N ATOM 0 H LYS A 32 -3.350 2.979 0.823 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.138 5.242 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.921 4.044 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.725 5.525 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.893 3.300 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.593 2.994 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.113 5.521 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.444 4.148 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.969 4.479 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.468 6.051 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.071 6.151 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.420 6.496 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.906 4.972 -5.533 1.00 0.00 H new ATOM 515 N GLN A 33 -3.115 5.853 2.312 1.00 0.00 N ATOM 516 CA GLN A 33 -3.307 6.968 3.292 1.00 0.00 C ATOM 517 C GLN A 33 -1.934 7.229 3.883 1.00 0.00 C ATOM 518 O GLN A 33 -1.452 8.341 3.963 1.00 0.00 O ATOM 519 CB GLN A 33 -4.274 6.430 4.349 1.00 0.00 C ATOM 520 CG GLN A 33 -4.509 7.501 5.416 1.00 0.00 C ATOM 521 CD GLN A 33 -5.257 6.886 6.601 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.008 5.756 6.971 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.169 7.589 7.214 1.00 0.00 N ATOM 0 H GLN A 33 -2.913 4.943 2.725 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.707 7.889 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.219 6.151 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.865 5.529 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.556 7.914 5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.085 8.326 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.377 8.538 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.674 7.190 8.005 1.00 0.00 H new ATOM 532 N TYR A 34 -1.287 6.155 4.227 1.00 0.00 N ATOM 533 CA TYR A 34 0.103 6.192 4.750 1.00 0.00 C ATOM 534 C TYR A 34 0.991 6.967 3.753 1.00 0.00 C ATOM 535 O TYR A 34 1.852 7.739 4.129 1.00 0.00 O ATOM 536 CB TYR A 34 0.443 4.689 4.788 1.00 0.00 C ATOM 537 CG TYR A 34 1.940 4.440 4.730 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.599 4.433 3.494 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.660 4.217 5.909 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.979 4.203 3.439 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.041 3.987 5.854 1.00 0.00 C ATOM 542 CZ TYR A 34 4.700 3.980 4.618 1.00 0.00 C ATOM 543 OH TYR A 34 6.059 3.753 4.563 1.00 0.00 O ATOM 0 H TYR A 34 -1.681 5.216 4.164 1.00 0.00 H new ATOM 0 HA TYR A 34 0.241 6.684 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.038 4.249 5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.040 4.187 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.043 4.605 2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.151 4.222 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.488 4.198 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.597 3.815 6.764 1.00 0.00 H new ATOM 0 HH TYR A 34 6.444 3.855 5.458 1.00 0.00 H new ATOM 553 N ALA A 35 0.757 6.758 2.481 1.00 0.00 N ATOM 554 CA ALA A 35 1.549 7.465 1.429 1.00 0.00 C ATOM 555 C ALA A 35 1.270 8.969 1.487 1.00 0.00 C ATOM 556 O ALA A 35 2.173 9.776 1.585 1.00 0.00 O ATOM 557 CB ALA A 35 1.052 6.892 0.101 1.00 0.00 C ATOM 0 H ALA A 35 0.044 6.122 2.124 1.00 0.00 H new ATOM 0 HA ALA A 35 2.622 7.326 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.588 7.364 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.228 5.817 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.015 7.087 -0.003 1.00 0.00 H new ATOM 563 N ASN A 36 0.016 9.345 1.423 1.00 0.00 N ATOM 564 CA ASN A 36 -0.352 10.797 1.469 1.00 0.00 C ATOM 565 C ASN A 36 0.216 11.460 2.726 1.00 0.00 C ATOM 566 O ASN A 36 0.806 12.521 2.666 1.00 0.00 O ATOM 567 CB ASN A 36 -1.877 10.823 1.508 1.00 0.00 C ATOM 568 CG ASN A 36 -2.430 10.810 0.080 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.277 11.610 -0.262 1.00 0.00 O ATOM 570 ND2 ASN A 36 -1.984 9.929 -0.774 1.00 0.00 N ATOM 0 H ASN A 36 -0.774 8.705 1.340 1.00 0.00 H new ATOM 0 HA ASN A 36 0.049 11.341 0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.251 9.961 2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.222 11.713 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.347 9.913 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.272 9.256 -0.488 1.00 0.00 H new ATOM 577 N ASP A 37 0.040 10.837 3.866 1.00 0.00 N ATOM 578 CA ASP A 37 0.567 11.423 5.145 1.00 0.00 C ATOM 579 C ASP A 37 2.050 11.784 5.009 1.00 0.00 C ATOM 580 O ASP A 37 2.550 12.664 5.683 1.00 0.00 O ATOM 581 CB ASP A 37 0.378 10.332 6.198 1.00 0.00 C ATOM 582 CG ASP A 37 0.738 10.886 7.578 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.316 11.991 7.878 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.429 10.197 8.310 1.00 0.00 O ATOM 0 H ASP A 37 -0.446 9.946 3.969 1.00 0.00 H new ATOM 0 HA ASP A 37 0.045 12.342 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.654 9.982 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.007 9.473 5.964 1.00 0.00 H new ATOM 589 N ASN A 38 2.741 11.110 4.136 1.00 0.00 N ATOM 590 CA ASN A 38 4.183 11.391 3.928 1.00 0.00 C ATOM 591 C ASN A 38 4.389 12.187 2.634 1.00 0.00 C ATOM 592 O ASN A 38 5.355 12.914 2.492 1.00 0.00 O ATOM 593 CB ASN A 38 4.848 10.018 3.830 1.00 0.00 C ATOM 594 CG ASN A 38 5.240 9.540 5.229 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.477 8.863 5.889 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.407 9.869 5.714 1.00 0.00 N ATOM 0 H ASN A 38 2.361 10.366 3.550 1.00 0.00 H new ATOM 0 HA ASN A 38 4.606 11.989 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.166 9.304 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.731 10.074 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.678 9.558 6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.048 10.437 5.160 1.00 0.00 H new ATOM 603 N GLY A 39 3.489 12.053 1.692 1.00 0.00 N ATOM 604 CA GLY A 39 3.624 12.796 0.403 1.00 0.00 C ATOM 605 C GLY A 39 3.932 11.808 -0.725 1.00 0.00 C ATOM 606 O GLY A 39 4.583 12.145 -1.695 1.00 0.00 O ATOM 0 H GLY A 39 2.663 11.458 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.704 13.338 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.420 13.537 0.479 1.00 0.00 H new ATOM 610 N ILE A 40 3.469 10.589 -0.599 1.00 0.00 N ATOM 611 CA ILE A 40 3.727 9.564 -1.652 1.00 0.00 C ATOM 612 C ILE A 40 2.468 9.444 -2.522 1.00 0.00 C ATOM 613 O ILE A 40 1.857 8.401 -2.655 1.00 0.00 O ATOM 614 CB ILE A 40 4.058 8.293 -0.844 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.498 8.409 -0.355 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.912 7.015 -1.680 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.542 9.352 0.841 1.00 0.00 C ATOM 0 H ILE A 40 2.920 10.260 0.195 1.00 0.00 H new ATOM 0 HA ILE A 40 4.539 9.789 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 40 3.355 8.218 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.880 7.428 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.138 8.784 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.156 6.148 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.886 6.929 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.590 7.058 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.568 9.441 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.175 10.334 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.914 8.957 1.639 1.00 0.00 H new ATOM 629 N ASP A 41 2.075 10.543 -3.097 1.00 0.00 N ATOM 630 CA ASP A 41 0.847 10.557 -3.950 1.00 0.00 C ATOM 631 C ASP A 41 1.203 10.581 -5.442 1.00 0.00 C ATOM 632 O ASP A 41 1.542 11.611 -5.991 1.00 0.00 O ATOM 633 CB ASP A 41 0.113 11.839 -3.560 1.00 0.00 C ATOM 634 CG ASP A 41 -1.380 11.683 -3.857 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.911 10.619 -3.579 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.967 12.627 -4.356 1.00 0.00 O ATOM 0 H ASP A 41 2.552 11.441 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 41 0.242 9.664 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.264 12.049 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.518 12.686 -4.114 1.00 0.00 H new ATOM 641 N GLY A 42 1.111 9.451 -6.098 1.00 0.00 N ATOM 642 CA GLY A 42 1.424 9.393 -7.557 1.00 0.00 C ATOM 643 C GLY A 42 0.787 8.137 -8.168 1.00 0.00 C ATOM 644 O GLY A 42 -0.399 7.907 -8.015 1.00 0.00 O ATOM 0 H GLY A 42 0.831 8.563 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.046 10.285 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.503 9.376 -7.708 1.00 0.00 H new ATOM 648 N GLU A 43 1.554 7.323 -8.861 1.00 0.00 N ATOM 649 CA GLU A 43 0.968 6.086 -9.479 1.00 0.00 C ATOM 650 C GLU A 43 0.627 5.056 -8.391 1.00 0.00 C ATOM 651 O GLU A 43 1.022 5.200 -7.256 1.00 0.00 O ATOM 652 CB GLU A 43 2.057 5.543 -10.417 1.00 0.00 C ATOM 653 CG GLU A 43 1.520 5.460 -11.848 1.00 0.00 C ATOM 654 CD GLU A 43 2.676 5.188 -12.813 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.121 4.053 -12.867 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.097 6.119 -13.480 1.00 0.00 O ATOM 0 H GLU A 43 2.551 7.460 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 43 0.043 6.297 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.933 6.191 -10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.378 4.557 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.776 4.667 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.021 6.392 -12.115 1.00 0.00 H new ATOM 663 N TRP A 44 -0.103 4.023 -8.741 1.00 0.00 N ATOM 664 CA TRP A 44 -0.485 2.962 -7.745 1.00 0.00 C ATOM 665 C TRP A 44 -0.850 1.676 -8.484 1.00 0.00 C ATOM 666 O TRP A 44 -1.655 1.685 -9.397 1.00 0.00 O ATOM 667 CB TRP A 44 -1.727 3.499 -7.024 1.00 0.00 C ATOM 668 CG TRP A 44 -1.326 4.273 -5.817 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.182 5.616 -5.749 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.037 3.761 -4.496 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.796 5.956 -4.463 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.697 4.842 -3.653 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.034 2.465 -3.961 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.358 4.642 -2.316 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.697 2.258 -2.614 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.359 3.346 -1.794 1.00 0.00 C ATOM 0 H TRP A 44 -0.456 3.865 -9.685 1.00 0.00 H new ATOM 0 HA TRP A 44 0.329 2.743 -7.054 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.302 4.134 -7.698 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.375 2.672 -6.736 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.341 6.308 -6.562 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.608 6.910 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.292 1.623 -4.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.097 5.482 -1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.698 1.258 -2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.099 3.181 -0.759 1.00 0.00 H new ATOM 687 N THR A 45 -0.271 0.568 -8.096 1.00 0.00 N ATOM 688 CA THR A 45 -0.595 -0.726 -8.777 1.00 0.00 C ATOM 689 C THR A 45 -0.555 -1.857 -7.760 1.00 0.00 C ATOM 690 O THR A 45 0.373 -1.962 -6.985 1.00 0.00 O ATOM 691 CB THR A 45 0.484 -0.953 -9.850 1.00 0.00 C ATOM 692 OG1 THR A 45 1.684 -1.396 -9.236 1.00 0.00 O ATOM 693 CG2 THR A 45 0.756 0.340 -10.618 1.00 0.00 C ATOM 0 H THR A 45 0.410 0.502 -7.340 1.00 0.00 H new ATOM 0 HA THR A 45 -1.588 -0.698 -9.225 1.00 0.00 H new ATOM 0 HB THR A 45 0.126 -1.710 -10.547 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.368 -1.541 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.522 0.161 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.161 0.675 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.101 1.108 -9.926 1.00 0.00 H new ATOM 701 N TYR A 46 -1.546 -2.701 -7.767 1.00 0.00 N ATOM 702 CA TYR A 46 -1.565 -3.839 -6.802 1.00 0.00 C ATOM 703 C TYR A 46 -1.058 -5.113 -7.492 1.00 0.00 C ATOM 704 O TYR A 46 -1.325 -5.347 -8.656 1.00 0.00 O ATOM 705 CB TYR A 46 -3.033 -3.988 -6.367 1.00 0.00 C ATOM 706 CG TYR A 46 -3.200 -5.253 -5.548 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.386 -5.474 -4.430 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.154 -6.209 -5.919 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.528 -6.648 -3.683 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.294 -7.384 -5.169 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.481 -7.604 -4.052 1.00 0.00 C ATOM 712 OH TYR A 46 -3.623 -8.762 -3.314 1.00 0.00 O ATOM 0 H TYR A 46 -2.346 -2.654 -8.399 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.919 -3.665 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.338 -3.121 -5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.680 -4.023 -7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.649 -4.738 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.781 -6.041 -6.782 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.901 -6.817 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.031 -8.121 -5.454 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.330 -9.316 -3.707 1.00 0.00 H new ATOM 722 N ASP A 47 -0.349 -5.939 -6.769 1.00 0.00 N ATOM 723 CA ASP A 47 0.161 -7.209 -7.358 1.00 0.00 C ATOM 724 C ASP A 47 -0.503 -8.396 -6.659 1.00 0.00 C ATOM 725 O ASP A 47 -0.091 -8.805 -5.589 1.00 0.00 O ATOM 726 CB ASP A 47 1.669 -7.204 -7.101 1.00 0.00 C ATOM 727 CG ASP A 47 2.311 -6.027 -7.839 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.318 -6.053 -9.059 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.783 -5.122 -7.173 1.00 0.00 O ATOM 0 H ASP A 47 -0.101 -5.787 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.057 -7.292 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.866 -7.127 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.109 -8.142 -7.439 1.00 0.00 H new ATOM 734 N ASP A 48 -1.529 -8.947 -7.257 1.00 0.00 N ATOM 735 CA ASP A 48 -2.236 -10.112 -6.634 1.00 0.00 C ATOM 736 C ASP A 48 -1.354 -11.373 -6.642 1.00 0.00 C ATOM 737 O ASP A 48 -1.706 -12.382 -6.058 1.00 0.00 O ATOM 738 CB ASP A 48 -3.491 -10.326 -7.487 1.00 0.00 C ATOM 739 CG ASP A 48 -3.093 -10.607 -8.939 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.598 -11.691 -9.198 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.291 -9.732 -9.767 1.00 0.00 O ATOM 0 H ASP A 48 -1.910 -8.641 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.478 -9.918 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.072 -11.160 -7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.128 -9.443 -7.440 1.00 0.00 H new ATOM 746 N ALA A 49 -0.215 -11.325 -7.286 1.00 0.00 N ATOM 747 CA ALA A 49 0.686 -12.512 -7.323 1.00 0.00 C ATOM 748 C ALA A 49 1.690 -12.432 -6.172 1.00 0.00 C ATOM 749 O ALA A 49 2.161 -13.438 -5.677 1.00 0.00 O ATOM 750 CB ALA A 49 1.403 -12.428 -8.671 1.00 0.00 C ATOM 0 H ALA A 49 0.130 -10.508 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 49 0.144 -13.452 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.086 -13.271 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.669 -12.457 -9.476 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.966 -11.496 -8.726 1.00 0.00 H new ATOM 756 N THR A 50 2.006 -11.238 -5.732 1.00 0.00 N ATOM 757 CA THR A 50 2.962 -11.080 -4.601 1.00 0.00 C ATOM 758 C THR A 50 2.298 -10.307 -3.455 1.00 0.00 C ATOM 759 O THR A 50 2.935 -9.984 -2.471 1.00 0.00 O ATOM 760 CB THR A 50 4.131 -10.282 -5.178 1.00 0.00 C ATOM 761 OG1 THR A 50 3.651 -9.045 -5.686 1.00 0.00 O ATOM 762 CG2 THR A 50 4.788 -11.080 -6.305 1.00 0.00 C ATOM 0 H THR A 50 1.639 -10.365 -6.112 1.00 0.00 H new ATOM 0 HA THR A 50 3.285 -12.039 -4.195 1.00 0.00 H new ATOM 0 HB THR A 50 4.866 -10.093 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.399 -8.531 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.622 -10.510 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.155 -12.029 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.056 -11.271 -7.090 1.00 0.00 H new ATOM 770 N LYS A 51 1.019 -9.999 -3.574 1.00 0.00 N ATOM 771 CA LYS A 51 0.313 -9.237 -2.492 1.00 0.00 C ATOM 772 C LYS A 51 1.067 -7.940 -2.190 1.00 0.00 C ATOM 773 O LYS A 51 1.201 -7.539 -1.050 1.00 0.00 O ATOM 774 CB LYS A 51 0.308 -10.158 -1.264 1.00 0.00 C ATOM 775 CG LYS A 51 -0.386 -11.478 -1.609 1.00 0.00 C ATOM 776 CD LYS A 51 -1.895 -11.252 -1.727 1.00 0.00 C ATOM 777 CE LYS A 51 -2.604 -12.602 -1.845 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.996 -12.347 -1.376 1.00 0.00 N ATOM 0 H LYS A 51 0.438 -10.245 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.701 -8.962 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.330 -10.349 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.207 -9.672 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.007 -11.872 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.179 -12.221 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.262 -10.711 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.114 -10.636 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.594 -12.965 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.114 -13.360 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.546 -13.228 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.975 -12.009 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.439 -11.626 -1.980 1.00 0.00 H new ATOM 792 N THR A 52 1.573 -7.293 -3.210 1.00 0.00 N ATOM 793 CA THR A 52 2.333 -6.024 -2.988 1.00 0.00 C ATOM 794 C THR A 52 1.818 -4.913 -3.909 1.00 0.00 C ATOM 795 O THR A 52 1.483 -5.149 -5.053 1.00 0.00 O ATOM 796 CB THR A 52 3.783 -6.368 -3.328 1.00 0.00 C ATOM 797 OG1 THR A 52 4.157 -7.558 -2.649 1.00 0.00 O ATOM 798 CG2 THR A 52 4.695 -5.221 -2.896 1.00 0.00 C ATOM 0 H THR A 52 1.493 -7.587 -4.183 1.00 0.00 H new ATOM 0 HA THR A 52 2.223 -5.658 -1.967 1.00 0.00 H new ATOM 0 HB THR A 52 3.880 -6.519 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.086 -7.781 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.729 -5.467 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.406 -4.310 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.602 -5.067 -1.821 1.00 0.00 H new ATOM 806 N PHE A 53 1.765 -3.699 -3.418 1.00 0.00 N ATOM 807 CA PHE A 53 1.289 -2.563 -4.263 1.00 0.00 C ATOM 808 C PHE A 53 2.503 -1.818 -4.843 1.00 0.00 C ATOM 809 O PHE A 53 3.623 -2.275 -4.706 1.00 0.00 O ATOM 810 CB PHE A 53 0.483 -1.675 -3.313 1.00 0.00 C ATOM 811 CG PHE A 53 -0.793 -2.385 -2.910 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.763 -3.378 -1.918 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.008 -2.051 -3.524 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.947 -4.033 -1.543 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.186 -2.707 -3.147 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.156 -3.696 -2.159 1.00 0.00 C ATOM 0 H PHE A 53 2.032 -3.447 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 53 0.681 -2.881 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.075 -1.441 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.246 -0.728 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.171 -3.638 -1.443 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.035 -1.288 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.924 -4.796 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.121 -2.448 -3.621 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.067 -4.200 -1.872 1.00 0.00 H new ATOM 826 N THR A 54 2.311 -0.679 -5.484 1.00 0.00 N ATOM 827 CA THR A 54 3.474 0.064 -6.050 1.00 0.00 C ATOM 828 C THR A 54 3.064 1.512 -6.232 1.00 0.00 C ATOM 829 O THR A 54 2.348 1.849 -7.158 1.00 0.00 O ATOM 830 CB THR A 54 3.776 -0.578 -7.409 1.00 0.00 C ATOM 831 OG1 THR A 54 3.540 -1.977 -7.349 1.00 0.00 O ATOM 832 CG2 THR A 54 5.238 -0.323 -7.778 1.00 0.00 C ATOM 0 H THR A 54 1.402 -0.242 -5.634 1.00 0.00 H new ATOM 0 HA THR A 54 4.352 0.025 -5.405 1.00 0.00 H new ATOM 0 HB THR A 54 3.124 -0.139 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.838 -2.218 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.454 -0.779 -8.744 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.417 0.751 -7.835 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.886 -0.759 -7.018 1.00 0.00 H new ATOM 840 N VAL A 55 3.488 2.366 -5.347 1.00 0.00 N ATOM 841 CA VAL A 55 3.093 3.796 -5.459 1.00 0.00 C ATOM 842 C VAL A 55 4.268 4.652 -5.940 1.00 0.00 C ATOM 843 O VAL A 55 5.222 4.896 -5.229 1.00 0.00 O ATOM 844 CB VAL A 55 2.576 4.214 -4.064 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.584 3.855 -2.971 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.308 5.722 -4.035 1.00 0.00 C ATOM 0 H VAL A 55 4.088 2.138 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 55 2.310 3.944 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 55 1.650 3.672 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.193 4.161 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.753 2.778 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.526 4.370 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.944 6.008 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.231 6.260 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.558 5.973 -4.785 1.00 0.00 H new ATOM 856 N THR A 56 4.176 5.114 -7.157 1.00 0.00 N ATOM 857 CA THR A 56 5.246 5.971 -7.734 1.00 0.00 C ATOM 858 C THR A 56 4.874 7.441 -7.481 1.00 0.00 C ATOM 859 O THR A 56 4.081 8.014 -8.196 1.00 0.00 O ATOM 860 CB THR A 56 5.262 5.579 -9.240 1.00 0.00 C ATOM 861 OG1 THR A 56 6.313 4.651 -9.461 1.00 0.00 O ATOM 862 CG2 THR A 56 5.470 6.791 -10.167 1.00 0.00 C ATOM 0 H THR A 56 3.392 4.930 -7.784 1.00 0.00 H new ATOM 0 HA THR A 56 6.237 5.837 -7.301 1.00 0.00 H new ATOM 0 HB THR A 56 4.290 5.146 -9.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.331 4.397 -10.407 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.473 6.459 -11.205 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.662 7.507 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.423 7.267 -9.936 1.00 0.00 H new ATOM 870 N GLU A 57 5.432 8.043 -6.462 1.00 0.00 N ATOM 871 CA GLU A 57 5.102 9.472 -6.158 1.00 0.00 C ATOM 872 C GLU A 57 5.454 10.365 -7.352 1.00 0.00 C ATOM 873 O GLU A 57 4.580 11.088 -7.805 1.00 0.00 O ATOM 874 CB GLU A 57 5.966 9.835 -4.948 1.00 0.00 C ATOM 875 CG GLU A 57 5.395 11.081 -4.267 1.00 0.00 C ATOM 876 CD GLU A 57 5.738 12.319 -5.096 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.850 12.804 -4.970 1.00 0.00 O ATOM 878 OE2 GLU A 57 4.881 12.765 -5.841 1.00 0.00 O ATOM 879 OXT GLU A 57 6.589 10.308 -7.795 1.00 0.00 O ATOM 0 H GLU A 57 6.102 7.609 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 57 4.040 9.612 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.992 9.003 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.993 10.019 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.314 10.988 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.805 11.179 -3.262 1.00 0.00 H new TER 886 GLU A 57