USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 430 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 Single : A 1 GLY N :NH3+ 159:sc= 0.61 (180deg=0.379) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0.896 (180deg=0.884) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.0382 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 43 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.6 (180deg=-0.351) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc=0.000242 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.819 -3.046 -3.276 1.00 0.00 N ATOM 2 CA GLY A 1 17.580 -2.454 -1.965 1.00 0.00 C ATOM 3 C GLY A 1 18.166 -1.051 -1.879 1.00 0.00 C ATOM 4 O GLY A 1 19.115 -0.808 -1.132 1.00 0.00 O ATOM 0 H1 GLY A 1 17.743 -4.081 -3.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.113 -2.691 -3.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.772 -2.789 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.508 -2.416 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.022 -3.084 -1.193 1.00 0.00 H new ATOM 10 N THR A 2 17.597 -0.129 -2.648 1.00 0.00 N ATOM 11 CA THR A 2 18.045 1.258 -2.642 1.00 0.00 C ATOM 12 C THR A 2 17.352 2.056 -1.545 1.00 0.00 C ATOM 13 O THR A 2 16.407 1.577 -0.919 1.00 0.00 O ATOM 14 CB THR A 2 17.790 1.942 -3.998 1.00 0.00 C ATOM 15 OG1 THR A 2 16.378 2.091 -4.203 1.00 0.00 O ATOM 16 CG2 THR A 2 18.378 1.114 -5.131 1.00 0.00 C ATOM 0 H THR A 2 16.823 -0.318 -3.285 1.00 0.00 H new ATOM 0 HA THR A 2 19.118 1.239 -2.452 1.00 0.00 H new ATOM 0 HB THR A 2 18.269 2.921 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.217 2.528 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.189 1.612 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.453 1.008 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.914 0.128 -5.139 1.00 0.00 H new ATOM 24 N ILE A 3 17.827 3.276 -1.317 1.00 0.00 N ATOM 25 CA ILE A 3 17.212 4.167 -0.341 1.00 0.00 C ATOM 26 C ILE A 3 15.777 4.502 -0.727 1.00 0.00 C ATOM 27 O ILE A 3 14.893 4.560 0.127 1.00 0.00 O ATOM 28 CB ILE A 3 18.011 5.475 -0.189 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.371 5.198 0.457 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.225 6.486 0.632 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.323 6.371 0.403 1.00 0.00 C ATOM 0 H ILE A 3 18.637 3.670 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 3 17.214 3.638 0.612 1.00 0.00 H new ATOM 0 HB ILE A 3 18.180 5.895 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.217 4.915 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.832 4.345 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.804 7.404 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.280 6.704 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.027 6.075 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.264 6.098 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.508 6.642 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.884 7.220 0.926 1.00 0.00 H new ATOM 43 N ASP A 4 15.552 4.720 -2.018 1.00 0.00 N ATOM 44 CA ASP A 4 14.212 4.985 -2.529 1.00 0.00 C ATOM 45 C ASP A 4 13.305 3.776 -2.347 1.00 0.00 C ATOM 46 O ASP A 4 12.125 3.916 -2.021 1.00 0.00 O ATOM 47 CB ASP A 4 14.271 5.383 -4.005 1.00 0.00 C ATOM 48 CG ASP A 4 14.826 6.777 -4.260 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.947 7.528 -3.321 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.270 7.027 -5.355 1.00 0.00 O ATOM 0 H ASP A 4 16.282 4.718 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 4 13.794 5.813 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.884 4.658 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.267 5.323 -4.425 1.00 0.00 H new ATOM 55 N GLU A 5 13.860 2.589 -2.560 1.00 0.00 N ATOM 56 CA GLU A 5 13.119 1.349 -2.357 1.00 0.00 C ATOM 57 C GLU A 5 12.846 1.106 -0.878 1.00 0.00 C ATOM 58 O GLU A 5 11.839 0.499 -0.514 1.00 0.00 O ATOM 59 CB GLU A 5 13.885 0.164 -2.951 1.00 0.00 C ATOM 60 CG GLU A 5 13.930 0.145 -4.473 1.00 0.00 C ATOM 61 CD GLU A 5 14.842 -0.938 -4.978 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.550 -1.511 -4.185 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.752 -1.271 -6.137 1.00 0.00 O ATOM 0 H GLU A 5 14.822 2.458 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 5 12.162 1.445 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.906 0.179 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.427 -0.761 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.925 -0.009 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.272 1.112 -4.841 1.00 0.00 H new ATOM 70 N TRP A 6 13.749 1.584 -0.027 1.00 0.00 N ATOM 71 CA TRP A 6 13.558 1.509 1.415 1.00 0.00 C ATOM 72 C TRP A 6 12.413 2.407 1.867 1.00 0.00 C ATOM 73 O TRP A 6 11.607 2.021 2.714 1.00 0.00 O ATOM 74 CB TRP A 6 14.846 1.895 2.145 1.00 0.00 C ATOM 75 CG TRP A 6 15.947 0.891 1.986 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.816 -0.410 1.603 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.347 1.106 2.206 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.045 -1.020 1.572 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.002 -0.108 1.937 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.109 2.211 2.606 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.376 -0.253 2.054 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.487 2.066 2.721 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.102 0.869 2.453 1.00 0.00 C ATOM 0 H TRP A 6 14.621 2.028 -0.313 1.00 0.00 H new ATOM 0 HA TRP A 6 13.303 0.479 1.664 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.189 2.861 1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.629 2.020 3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.881 -0.891 1.359 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.218 -1.993 1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.635 3.157 2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.863 -1.194 1.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.085 2.912 3.027 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.175 0.794 2.554 1.00 0.00 H new ATOM 94 N LEU A 7 12.346 3.605 1.296 1.00 0.00 N ATOM 95 CA LEU A 7 11.242 4.518 1.562 1.00 0.00 C ATOM 96 C LEU A 7 9.920 3.943 1.069 1.00 0.00 C ATOM 97 O LEU A 7 8.910 3.995 1.771 1.00 0.00 O ATOM 98 CB LEU A 7 11.509 5.878 0.903 1.00 0.00 C ATOM 99 CG LEU A 7 12.769 6.604 1.394 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.175 7.678 0.395 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.504 7.213 2.763 1.00 0.00 C ATOM 0 H LEU A 7 13.044 3.966 0.646 1.00 0.00 H new ATOM 0 HA LEU A 7 11.168 4.654 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.589 5.733 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.647 6.523 1.075 1.00 0.00 H new ATOM 0 HG LEU A 7 13.589 5.891 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.070 8.188 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.381 7.217 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.365 8.400 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.399 7.728 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.681 7.924 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.242 6.424 3.468 1.00 0.00 H new ATOM 113 N LEU A 8 9.932 3.395 -0.141 1.00 0.00 N ATOM 114 CA LEU A 8 8.750 2.757 -0.706 1.00 0.00 C ATOM 115 C LEU A 8 8.340 1.536 0.107 1.00 0.00 C ATOM 116 O LEU A 8 7.154 1.295 0.328 1.00 0.00 O ATOM 117 CB LEU A 8 9.006 2.365 -2.167 1.00 0.00 C ATOM 118 CG LEU A 8 8.002 1.366 -2.760 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.584 1.896 -2.601 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.328 1.129 -4.227 1.00 0.00 C ATOM 0 H LEU A 8 10.750 3.380 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 8 7.930 3.474 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.998 3.269 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.006 1.939 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 8 8.073 0.418 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.879 1.181 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.365 2.038 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.491 2.849 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.615 0.420 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.266 2.072 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.337 0.725 -4.315 1.00 0.00 H new ATOM 132 N LYS A 9 9.330 0.768 0.551 1.00 0.00 N ATOM 133 CA LYS A 9 9.087 -0.346 1.458 1.00 0.00 C ATOM 134 C LYS A 9 8.334 0.110 2.702 1.00 0.00 C ATOM 135 O LYS A 9 7.454 -0.592 3.199 1.00 0.00 O ATOM 136 CB LYS A 9 10.406 -1.010 1.857 1.00 0.00 C ATOM 137 CG LYS A 9 10.249 -2.248 2.729 1.00 0.00 C ATOM 138 CD LYS A 9 11.570 -2.987 2.885 1.00 0.00 C ATOM 139 CE LYS A 9 12.138 -3.400 1.535 1.00 0.00 C ATOM 140 NZ LYS A 9 13.491 -4.006 1.662 1.00 0.00 N ATOM 0 H LYS A 9 10.309 0.898 0.296 1.00 0.00 H new ATOM 0 HA LYS A 9 8.469 -1.074 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.949 -1.284 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.019 -0.282 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.874 -1.959 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.507 -2.914 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.286 -2.349 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.423 -3.871 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.464 -4.114 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.191 -2.529 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.842 -4.273 0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.141 -3.317 2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.437 -4.852 2.264 1.00 0.00 H new ATOM 154 N GLU A 10 8.686 1.290 3.200 1.00 0.00 N ATOM 155 CA GLU A 10 7.982 1.886 4.330 1.00 0.00 C ATOM 156 C GLU A 10 6.620 2.422 3.910 1.00 0.00 C ATOM 157 O GLU A 10 5.660 2.374 4.678 1.00 0.00 O ATOM 158 CB GLU A 10 8.819 3.006 4.953 1.00 0.00 C ATOM 159 CG GLU A 10 10.064 2.527 5.686 1.00 0.00 C ATOM 160 CD GLU A 10 10.885 3.684 6.181 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.524 4.804 5.909 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.811 3.456 6.924 1.00 0.00 O ATOM 0 H GLU A 10 9.456 1.854 2.839 1.00 0.00 H new ATOM 0 HA GLU A 10 7.826 1.105 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.119 3.699 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.195 3.565 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.774 1.898 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.666 1.910 5.019 1.00 0.00 H new ATOM 169 N ALA A 11 6.543 2.933 2.686 1.00 0.00 N ATOM 170 CA ALA A 11 5.287 3.437 2.143 1.00 0.00 C ATOM 171 C ALA A 11 4.249 2.327 2.036 1.00 0.00 C ATOM 172 O ALA A 11 3.070 2.537 2.322 1.00 0.00 O ATOM 173 CB ALA A 11 5.518 4.085 0.786 1.00 0.00 C ATOM 0 H ALA A 11 7.337 3.009 2.050 1.00 0.00 H new ATOM 0 HA ALA A 11 4.901 4.191 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.571 4.456 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.216 4.915 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.932 3.349 0.097 1.00 0.00 H new ATOM 179 N LYS A 12 4.695 1.145 1.622 1.00 0.00 N ATOM 180 CA LYS A 12 3.803 0.002 1.469 1.00 0.00 C ATOM 181 C LYS A 12 3.212 -0.420 2.807 1.00 0.00 C ATOM 182 O LYS A 12 2.013 -0.677 2.914 1.00 0.00 O ATOM 183 CB LYS A 12 4.543 -1.172 0.827 1.00 0.00 C ATOM 184 CG LYS A 12 4.958 -0.939 -0.620 1.00 0.00 C ATOM 185 CD LYS A 12 6.076 -1.885 -1.035 1.00 0.00 C ATOM 186 CE LYS A 12 6.420 -1.725 -2.507 1.00 0.00 C ATOM 187 NZ LYS A 12 7.407 -2.741 -2.962 1.00 0.00 N ATOM 0 H LYS A 12 5.669 0.954 1.387 1.00 0.00 H new ATOM 0 HA LYS A 12 2.984 0.304 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.433 -1.391 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.906 -2.055 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.098 -1.080 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.287 0.093 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.962 -1.692 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.775 -2.914 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.511 -1.810 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.822 -0.727 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.614 -2.596 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.284 -2.644 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.014 -3.694 -2.822 1.00 0.00 H new ATOM 201 N GLU A 13 4.061 -0.491 3.827 1.00 0.00 N ATOM 202 CA GLU A 13 3.629 -0.905 5.156 1.00 0.00 C ATOM 203 C GLU A 13 2.751 0.156 5.806 1.00 0.00 C ATOM 204 O GLU A 13 1.716 -0.155 6.396 1.00 0.00 O ATOM 205 CB GLU A 13 4.839 -1.203 6.045 1.00 0.00 C ATOM 206 CG GLU A 13 5.620 -2.447 5.646 1.00 0.00 C ATOM 207 CD GLU A 13 6.865 -2.599 6.476 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.130 -1.737 7.280 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.492 -3.628 6.388 1.00 0.00 O ATOM 0 H GLU A 13 5.054 -0.267 3.758 1.00 0.00 H new ATOM 0 HA GLU A 13 3.039 -1.815 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.511 -0.345 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.499 -1.317 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.990 -3.329 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.888 -2.388 4.591 1.00 0.00 H new ATOM 216 N LYS A 14 3.170 1.412 5.695 1.00 0.00 N ATOM 217 CA LYS A 14 2.527 2.502 6.421 1.00 0.00 C ATOM 218 C LYS A 14 1.125 2.767 5.887 1.00 0.00 C ATOM 219 O LYS A 14 0.204 3.054 6.651 1.00 0.00 O ATOM 220 CB LYS A 14 3.372 3.774 6.335 1.00 0.00 C ATOM 221 CG LYS A 14 4.614 3.765 7.217 1.00 0.00 C ATOM 222 CD LYS A 14 5.416 5.048 7.056 1.00 0.00 C ATOM 223 CE LYS A 14 4.587 6.269 7.424 1.00 0.00 C ATOM 224 NZ LYS A 14 5.303 7.538 7.123 1.00 0.00 N ATOM 0 H LYS A 14 3.953 1.701 5.109 1.00 0.00 H new ATOM 0 HA LYS A 14 2.443 2.203 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.678 3.923 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.752 4.627 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.321 3.645 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.238 2.909 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.304 5.006 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.760 5.137 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.644 6.246 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.341 6.234 8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.704 8.346 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.191 7.573 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.515 7.584 6.106 1.00 0.00 H new ATOM 238 N ALA A 15 0.971 2.670 4.570 1.00 0.00 N ATOM 239 CA ALA A 15 -0.261 3.089 3.911 1.00 0.00 C ATOM 240 C ALA A 15 -1.429 2.196 4.310 1.00 0.00 C ATOM 241 O ALA A 15 -2.537 2.677 4.549 1.00 0.00 O ATOM 242 CB ALA A 15 -0.080 3.087 2.400 1.00 0.00 C ATOM 0 H ALA A 15 1.684 2.305 3.938 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.490 4.104 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.008 3.402 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.720 3.776 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.177 2.082 2.066 1.00 0.00 H new ATOM 248 N ILE A 16 -1.176 0.894 4.379 1.00 0.00 N ATOM 249 CA ILE A 16 -2.239 -0.084 4.572 1.00 0.00 C ATOM 250 C ILE A 16 -2.749 -0.067 6.009 1.00 0.00 C ATOM 251 O ILE A 16 -3.879 -0.472 6.281 1.00 0.00 O ATOM 252 CB ILE A 16 -1.769 -1.508 4.223 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.181 -1.543 2.809 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.920 -2.494 4.349 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.000 -0.786 1.788 1.00 0.00 C ATOM 0 H ILE A 16 -0.242 0.491 4.304 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.048 0.196 3.898 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.990 -1.799 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.174 -1.127 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.089 -2.581 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.570 -3.496 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.296 -2.486 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.720 -2.208 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.520 -0.857 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.000 -1.216 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.071 0.261 2.082 1.00 0.00 H new ATOM 267 N GLU A 17 -1.910 0.406 6.923 1.00 0.00 N ATOM 268 CA GLU A 17 -2.298 0.541 8.322 1.00 0.00 C ATOM 269 C GLU A 17 -3.644 1.241 8.455 1.00 0.00 C ATOM 270 O GLU A 17 -4.435 0.922 9.343 1.00 0.00 O ATOM 271 CB GLU A 17 -1.227 1.308 9.103 1.00 0.00 C ATOM 272 CG GLU A 17 0.057 0.526 9.341 1.00 0.00 C ATOM 273 CD GLU A 17 -0.200 -0.712 10.155 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.822 -0.606 11.184 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.127 -1.780 9.692 1.00 0.00 O ATOM 0 H GLU A 17 -0.955 0.703 6.720 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.392 -0.461 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.986 2.223 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.641 1.606 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.499 0.249 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.780 1.158 9.856 1.00 0.00 H new ATOM 282 N GLU A 18 -3.899 2.197 7.567 1.00 0.00 N ATOM 283 CA GLU A 18 -5.192 2.867 7.513 1.00 0.00 C ATOM 284 C GLU A 18 -6.300 1.898 7.119 1.00 0.00 C ATOM 285 O GLU A 18 -7.404 1.948 7.662 1.00 0.00 O ATOM 286 CB GLU A 18 -5.147 4.040 6.532 1.00 0.00 C ATOM 287 CG GLU A 18 -4.252 5.191 6.969 1.00 0.00 C ATOM 288 CD GLU A 18 -4.126 6.227 5.887 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.619 5.996 4.809 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.636 7.296 6.168 1.00 0.00 O ATOM 0 H GLU A 18 -3.226 2.525 6.874 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.411 3.247 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.803 3.675 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.160 4.417 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.660 5.650 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.264 4.809 7.226 1.00 0.00 H new ATOM 297 N LEU A 19 -5.999 1.017 6.172 1.00 0.00 N ATOM 298 CA LEU A 19 -6.957 0.012 5.728 1.00 0.00 C ATOM 299 C LEU A 19 -7.289 -0.965 6.848 1.00 0.00 C ATOM 300 O LEU A 19 -8.432 -1.401 6.986 1.00 0.00 O ATOM 301 CB LEU A 19 -6.410 -0.739 4.508 1.00 0.00 C ATOM 302 CG LEU A 19 -6.860 -0.191 3.147 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.832 1.331 3.163 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.951 -0.735 2.054 1.00 0.00 C ATOM 0 H LEU A 19 -5.098 0.979 5.696 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.877 0.523 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.321 -0.719 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.712 -1.784 4.579 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.882 -0.512 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.153 1.711 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.505 1.699 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.818 1.674 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.271 -0.346 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.924 -0.426 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.006 -1.824 2.043 1.00 0.00 H new ATOM 316 N LYS A 20 -6.283 -1.309 7.644 1.00 0.00 N ATOM 317 CA LYS A 20 -6.489 -2.139 8.825 1.00 0.00 C ATOM 318 C LYS A 20 -7.436 -1.468 9.811 1.00 0.00 C ATOM 319 O LYS A 20 -8.280 -2.126 10.422 1.00 0.00 O ATOM 320 CB LYS A 20 -5.153 -2.445 9.504 1.00 0.00 C ATOM 321 CG LYS A 20 -4.185 -3.255 8.653 1.00 0.00 C ATOM 322 CD LYS A 20 -2.927 -3.611 9.431 1.00 0.00 C ATOM 323 CE LYS A 20 -1.906 -4.309 8.545 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.618 -4.539 9.255 1.00 0.00 N ATOM 0 H LYS A 20 -5.315 -1.025 7.493 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.943 -3.075 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.676 -1.505 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.346 -2.988 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.674 -4.167 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.916 -2.686 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.488 -2.706 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.186 -4.258 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.310 -5.264 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.727 -3.707 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.026 -5.076 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.185 -3.624 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.794 -5.078 10.127 1.00 0.00 H new ATOM 338 N LYS A 21 -7.293 -0.157 9.963 1.00 0.00 N ATOM 339 CA LYS A 21 -8.221 0.627 10.770 1.00 0.00 C ATOM 340 C LYS A 21 -9.591 0.711 10.111 1.00 0.00 C ATOM 341 O LYS A 21 -10.608 0.868 10.787 1.00 0.00 O ATOM 342 CB LYS A 21 -7.665 2.032 11.011 1.00 0.00 C ATOM 343 CG LYS A 21 -6.461 2.082 11.942 1.00 0.00 C ATOM 344 CD LYS A 21 -5.912 3.495 12.061 1.00 0.00 C ATOM 345 CE LYS A 21 -4.672 3.536 12.942 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.078 4.899 13.004 1.00 0.00 N ATOM 0 H LYS A 21 -6.542 0.387 9.537 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.337 0.122 11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.385 2.468 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.456 2.656 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.746 1.716 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.682 1.417 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.669 3.877 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.677 4.151 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.931 3.207 13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.931 2.835 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.236 4.883 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.807 5.203 12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.776 5.564 13.394 1.00 0.00 H new ATOM 360 N ALA A 22 -9.612 0.606 8.786 1.00 0.00 N ATOM 361 CA ALA A 22 -10.844 0.768 8.024 1.00 0.00 C ATOM 362 C ALA A 22 -11.636 -0.533 7.976 1.00 0.00 C ATOM 363 O ALA A 22 -12.767 -0.565 7.490 1.00 0.00 O ATOM 364 CB ALA A 22 -10.536 1.258 6.618 1.00 0.00 C ATOM 0 H ALA A 22 -8.788 0.409 8.218 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.458 1.515 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.466 1.374 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.023 2.218 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.898 0.533 6.112 1.00 0.00 H new ATOM 370 N GLY A 23 -11.036 -1.604 8.482 1.00 0.00 N ATOM 371 CA GLY A 23 -11.708 -2.896 8.557 1.00 0.00 C ATOM 372 C GLY A 23 -11.459 -3.721 7.301 1.00 0.00 C ATOM 373 O GLY A 23 -12.197 -4.662 7.007 1.00 0.00 O ATOM 0 H GLY A 23 -10.084 -1.603 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.353 -3.443 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.779 -2.744 8.689 1.00 0.00 H new ATOM 377 N ILE A 24 -10.414 -3.363 6.562 1.00 0.00 N ATOM 378 CA ILE A 24 -10.055 -4.079 5.343 1.00 0.00 C ATOM 379 C ILE A 24 -9.117 -5.241 5.644 1.00 0.00 C ATOM 380 O ILE A 24 -8.073 -5.062 6.269 1.00 0.00 O ATOM 381 CB ILE A 24 -9.390 -3.147 4.315 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.313 -1.970 3.985 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.032 -3.916 3.053 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.632 -2.382 3.372 1.00 0.00 C ATOM 0 H ILE A 24 -9.800 -2.580 6.786 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.983 -4.465 4.920 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.471 -2.753 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.507 -1.406 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.798 -1.298 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.563 -3.242 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.340 -4.721 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.937 -4.338 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.231 -1.495 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.449 -2.920 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.169 -3.029 4.065 1.00 0.00 H new ATOM 396 N THR A 25 -9.497 -6.433 5.193 1.00 0.00 N ATOM 397 CA THR A 25 -8.725 -7.638 5.471 1.00 0.00 C ATOM 398 C THR A 25 -8.372 -8.374 4.185 1.00 0.00 C ATOM 399 O THR A 25 -7.937 -9.526 4.218 1.00 0.00 O ATOM 400 CB THR A 25 -9.488 -8.595 6.406 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.744 -8.947 5.811 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.737 -7.936 7.754 1.00 0.00 C ATOM 0 H THR A 25 -10.335 -6.589 4.633 1.00 0.00 H new ATOM 0 HA THR A 25 -7.808 -7.317 5.966 1.00 0.00 H new ATOM 0 HB THR A 25 -8.885 -9.491 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.228 -9.557 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.277 -8.626 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.783 -7.677 8.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.329 -7.032 7.613 1.00 0.00 H new ATOM 410 N SER A 26 -8.561 -7.704 3.054 1.00 0.00 N ATOM 411 CA SER A 26 -8.314 -8.312 1.752 1.00 0.00 C ATOM 412 C SER A 26 -6.822 -8.387 1.455 1.00 0.00 C ATOM 413 O SER A 26 -6.186 -7.374 1.160 1.00 0.00 O ATOM 414 CB SER A 26 -9.031 -7.533 0.667 1.00 0.00 C ATOM 415 OG SER A 26 -8.723 -8.010 -0.614 1.00 0.00 O ATOM 0 H SER A 26 -8.885 -6.738 3.013 1.00 0.00 H new ATOM 0 HA SER A 26 -8.703 -9.330 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.107 -7.595 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.758 -6.480 0.737 1.00 0.00 H new ATOM 0 HG SER A 26 -9.415 -7.723 -1.245 1.00 0.00 H new ATOM 421 N ASP A 27 -6.267 -9.591 1.533 1.00 0.00 N ATOM 422 CA ASP A 27 -4.865 -9.813 1.198 1.00 0.00 C ATOM 423 C ASP A 27 -4.618 -9.616 -0.292 1.00 0.00 C ATOM 424 O ASP A 27 -3.511 -9.271 -0.707 1.00 0.00 O ATOM 425 CB ASP A 27 -4.428 -11.218 1.621 1.00 0.00 C ATOM 426 CG ASP A 27 -4.267 -11.399 3.125 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.258 -10.415 3.825 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.311 -12.519 3.575 1.00 0.00 O ATOM 0 H ASP A 27 -6.768 -10.430 1.826 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.272 -9.079 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.160 -11.939 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.481 -11.453 1.135 1.00 0.00 H new ATOM 433 N TYR A 28 -5.655 -9.836 -1.094 1.00 0.00 N ATOM 434 CA TYR A 28 -5.561 -9.649 -2.536 1.00 0.00 C ATOM 435 C TYR A 28 -5.085 -8.243 -2.881 1.00 0.00 C ATOM 436 O TYR A 28 -4.075 -8.069 -3.563 1.00 0.00 O ATOM 437 CB TYR A 28 -6.913 -9.922 -3.200 1.00 0.00 C ATOM 438 CG TYR A 28 -6.929 -9.655 -4.690 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.420 -10.584 -5.586 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.456 -8.476 -5.195 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.432 -10.345 -6.946 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.475 -8.227 -6.554 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.961 -9.164 -7.426 1.00 0.00 C ATOM 444 OH TYR A 28 -6.978 -8.922 -8.781 1.00 0.00 O ATOM 0 H TYR A 28 -6.571 -10.144 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.828 -10.360 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.190 -10.961 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.673 -9.304 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.007 -11.510 -5.213 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.858 -7.740 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.030 -11.078 -7.630 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.890 -7.304 -6.931 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.385 -8.047 -8.952 1.00 0.00 H new ATOM 454 N TYR A 29 -5.817 -7.242 -2.404 1.00 0.00 N ATOM 455 CA TYR A 29 -5.509 -5.852 -2.715 1.00 0.00 C ATOM 456 C TYR A 29 -4.246 -5.394 -1.999 1.00 0.00 C ATOM 457 O TYR A 29 -3.522 -4.528 -2.491 1.00 0.00 O ATOM 458 CB TYR A 29 -6.684 -4.946 -2.338 1.00 0.00 C ATOM 459 CG TYR A 29 -7.898 -5.116 -3.225 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.847 -4.785 -4.571 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.091 -5.604 -2.714 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.952 -4.937 -5.385 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.203 -5.761 -3.519 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.130 -5.426 -4.856 1.00 0.00 C ATOM 465 OH TYR A 29 -11.233 -5.578 -5.662 1.00 0.00 O ATOM 0 H TYR A 29 -6.629 -7.368 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.337 -5.781 -3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.969 -5.148 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.357 -3.907 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.928 -4.402 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.152 -5.866 -1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.895 -4.675 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.124 -6.144 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.978 -5.934 -5.134 1.00 0.00 H new ATOM 475 N PHE A 30 -3.985 -5.979 -0.836 1.00 0.00 N ATOM 476 CA PHE A 30 -2.736 -5.745 -0.123 1.00 0.00 C ATOM 477 C PHE A 30 -1.540 -6.226 -0.935 1.00 0.00 C ATOM 478 O PHE A 30 -0.435 -5.699 -0.802 1.00 0.00 O ATOM 479 CB PHE A 30 -2.760 -6.440 1.240 1.00 0.00 C ATOM 480 CG PHE A 30 -3.754 -5.854 2.202 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.679 -4.912 1.778 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.768 -6.246 3.532 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.593 -4.371 2.661 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.683 -5.708 4.418 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.596 -4.771 3.982 1.00 0.00 C ATOM 0 H PHE A 30 -4.624 -6.620 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.635 -4.670 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.988 -7.496 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.765 -6.386 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.685 -4.598 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.056 -6.980 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.305 -3.635 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.683 -6.022 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.312 -4.351 4.673 1.00 0.00 H new ATOM 495 N ASP A 31 -1.767 -7.230 -1.775 1.00 0.00 N ATOM 496 CA ASP A 31 -0.729 -7.733 -2.666 1.00 0.00 C ATOM 497 C ASP A 31 -0.397 -6.721 -3.754 1.00 0.00 C ATOM 498 O ASP A 31 0.753 -6.605 -4.179 1.00 0.00 O ATOM 499 CB ASP A 31 -1.158 -9.060 -3.296 1.00 0.00 C ATOM 500 CG ASP A 31 -0.046 -9.800 -4.025 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.926 -10.143 -3.394 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.241 -10.154 -5.163 1.00 0.00 O ATOM 0 H ASP A 31 -2.662 -7.712 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 31 0.168 -7.898 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.556 -9.707 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.971 -8.869 -3.997 1.00 0.00 H new ATOM 507 N LEU A 32 -1.411 -5.988 -4.202 1.00 0.00 N ATOM 508 CA LEU A 32 -1.278 -5.132 -5.375 1.00 0.00 C ATOM 509 C LEU A 32 -0.242 -4.039 -5.146 1.00 0.00 C ATOM 510 O LEU A 32 0.481 -3.654 -6.063 1.00 0.00 O ATOM 511 CB LEU A 32 -2.634 -4.516 -5.738 1.00 0.00 C ATOM 512 CG LEU A 32 -3.427 -5.269 -6.815 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.766 -6.672 -6.329 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.693 -4.494 -7.150 1.00 0.00 C ATOM 0 H LEU A 32 -2.335 -5.970 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.936 -5.748 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.242 -4.459 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.471 -3.493 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.821 -5.358 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.329 -7.198 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.846 -7.216 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.367 -6.608 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.256 -5.029 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.305 -4.392 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.426 -3.505 -7.522 1.00 0.00 H new ATOM 526 N ILE A 33 -0.178 -3.541 -3.915 1.00 0.00 N ATOM 527 CA ILE A 33 0.775 -2.498 -3.560 1.00 0.00 C ATOM 528 C ILE A 33 2.202 -3.031 -3.563 1.00 0.00 C ATOM 529 O ILE A 33 3.161 -2.266 -3.653 1.00 0.00 O ATOM 530 CB ILE A 33 0.465 -1.896 -2.178 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.511 -2.982 -1.099 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.893 -1.210 -2.188 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.998 -2.489 0.244 1.00 0.00 C ATOM 0 H ILE A 33 -0.776 -3.844 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 33 0.681 -1.717 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 33 1.225 -1.149 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.486 -3.405 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.161 -3.789 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.096 -0.790 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.892 -0.411 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.666 -1.937 -2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.003 -3.315 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.008 -2.093 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.335 -1.703 0.605 1.00 0.00 H new ATOM 545 N ASN A 34 2.336 -4.350 -3.463 1.00 0.00 N ATOM 546 CA ASN A 34 3.643 -4.993 -3.512 1.00 0.00 C ATOM 547 C ASN A 34 4.182 -5.038 -4.935 1.00 0.00 C ATOM 548 O ASN A 34 5.389 -4.937 -5.156 1.00 0.00 O ATOM 549 CB ASN A 34 3.596 -6.391 -2.925 1.00 0.00 C ATOM 550 CG ASN A 34 3.409 -6.416 -1.433 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.785 -5.476 -0.725 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.904 -7.521 -0.946 1.00 0.00 N ATOM 0 H ASN A 34 1.554 -4.994 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 34 4.320 -4.391 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.782 -6.945 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.521 -6.911 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.806 -7.636 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.609 -8.267 -1.575 1.00 0.00 H new ATOM 559 N LYS A 35 3.281 -5.188 -5.900 1.00 0.00 N ATOM 560 CA LYS A 35 3.622 -4.994 -7.305 1.00 0.00 C ATOM 561 C LYS A 35 3.979 -3.541 -7.589 1.00 0.00 C ATOM 562 O LYS A 35 4.701 -3.244 -8.540 1.00 0.00 O ATOM 563 CB LYS A 35 2.465 -5.436 -8.202 1.00 0.00 C ATOM 564 CG LYS A 35 2.767 -5.372 -9.693 1.00 0.00 C ATOM 565 CD LYS A 35 1.613 -5.927 -10.515 1.00 0.00 C ATOM 566 CE LYS A 35 1.912 -5.859 -12.006 1.00 0.00 C ATOM 567 NZ LYS A 35 0.787 -6.389 -12.823 1.00 0.00 N ATOM 0 H LYS A 35 2.308 -5.444 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 35 4.495 -5.609 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.190 -6.458 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.598 -4.810 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.959 -4.339 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.674 -5.937 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.423 -6.961 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.705 -5.364 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.111 -4.825 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.816 -6.428 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.030 -6.325 -13.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.613 -7.383 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.070 -5.830 -12.638 1.00 0.00 H new ATOM 581 N ALA A 36 3.468 -2.637 -6.758 1.00 0.00 N ATOM 582 CA ALA A 36 3.605 -1.207 -7.004 1.00 0.00 C ATOM 583 C ALA A 36 5.039 -0.743 -6.776 1.00 0.00 C ATOM 584 O ALA A 36 5.337 -0.085 -5.780 1.00 0.00 O ATOM 585 CB ALA A 36 2.645 -0.424 -6.121 1.00 0.00 C ATOM 0 H ALA A 36 2.955 -2.871 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 36 3.354 -1.019 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.759 0.642 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.621 -0.726 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.867 -0.627 -5.073 1.00 0.00 H new ATOM 591 N LYS A 37 5.922 -1.092 -7.706 1.00 0.00 N ATOM 592 CA LYS A 37 7.333 -0.743 -7.590 1.00 0.00 C ATOM 593 C LYS A 37 7.527 0.767 -7.555 1.00 0.00 C ATOM 594 O LYS A 37 8.642 1.256 -7.378 1.00 0.00 O ATOM 595 CB LYS A 37 8.131 -1.349 -8.745 1.00 0.00 C ATOM 596 CG LYS A 37 9.640 -1.343 -8.539 1.00 0.00 C ATOM 597 CD LYS A 37 10.351 -2.121 -9.636 1.00 0.00 C ATOM 598 CE LYS A 37 11.843 -2.237 -9.356 1.00 0.00 C ATOM 599 NZ LYS A 37 12.540 -3.053 -10.385 1.00 0.00 N ATOM 0 H LYS A 37 5.685 -1.616 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 37 7.701 -1.155 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.802 -2.377 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.899 -0.800 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.003 -0.315 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.878 -1.778 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.916 -3.117 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.196 -1.625 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.284 -1.241 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.994 -2.685 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.553 -3.107 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.137 -4.012 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.418 -2.612 -11.319 1.00 0.00 H new ATOM 613 N THR A 38 6.433 1.503 -7.724 1.00 0.00 N ATOM 614 CA THR A 38 6.436 2.943 -7.500 1.00 0.00 C ATOM 615 C THR A 38 5.648 3.308 -6.249 1.00 0.00 C ATOM 616 O THR A 38 4.725 2.595 -5.854 1.00 0.00 O ATOM 617 CB THR A 38 5.849 3.703 -8.704 1.00 0.00 C ATOM 618 OG1 THR A 38 4.449 3.414 -8.819 1.00 0.00 O ATOM 619 CG2 THR A 38 6.554 3.296 -9.988 1.00 0.00 C ATOM 0 H THR A 38 5.532 1.124 -8.016 1.00 0.00 H new ATOM 0 HA THR A 38 7.477 3.238 -7.368 1.00 0.00 H new ATOM 0 HB THR A 38 5.995 4.771 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.077 3.900 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.126 3.843 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.616 3.527 -9.909 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.426 2.226 -10.150 1.00 0.00 H new ATOM 627 N VAL A 39 6.016 4.424 -5.628 1.00 0.00 N ATOM 628 CA VAL A 39 5.277 4.944 -4.483 1.00 0.00 C ATOM 629 C VAL A 39 3.886 5.411 -4.893 1.00 0.00 C ATOM 630 O VAL A 39 2.918 5.230 -4.155 1.00 0.00 O ATOM 631 CB VAL A 39 6.024 6.112 -3.812 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.153 6.754 -2.742 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.335 5.630 -3.211 1.00 0.00 C ATOM 0 H VAL A 39 6.823 4.986 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 39 5.186 4.126 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 39 6.248 6.861 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.695 7.578 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.238 7.133 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.901 6.012 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.850 6.468 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.132 4.863 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.964 5.213 -3.997 1.00 0.00 H new ATOM 643 N GLU A 40 3.793 6.013 -6.073 1.00 0.00 N ATOM 644 CA GLU A 40 2.522 6.511 -6.582 1.00 0.00 C ATOM 645 C GLU A 40 1.536 5.372 -6.811 1.00 0.00 C ATOM 646 O GLU A 40 0.332 5.530 -6.608 1.00 0.00 O ATOM 647 CB GLU A 40 2.732 7.293 -7.881 1.00 0.00 C ATOM 648 CG GLU A 40 3.437 8.630 -7.702 1.00 0.00 C ATOM 649 CD GLU A 40 3.703 9.289 -9.026 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.408 8.693 -10.035 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.096 10.432 -9.030 1.00 0.00 O ATOM 0 H GLU A 40 4.585 6.168 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 40 2.103 7.180 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.312 6.680 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.762 7.467 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.825 9.286 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.378 8.479 -7.173 1.00 0.00 H new ATOM 658 N GLY A 41 2.054 4.224 -7.235 1.00 0.00 N ATOM 659 CA GLY A 41 1.232 3.035 -7.421 1.00 0.00 C ATOM 660 C GLY A 41 0.569 2.614 -6.116 1.00 0.00 C ATOM 661 O GLY A 41 -0.634 2.352 -6.076 1.00 0.00 O ATOM 0 H GLY A 41 3.041 4.092 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.468 3.232 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.848 2.219 -7.799 1.00 0.00 H new ATOM 665 N VAL A 42 1.358 2.551 -5.050 1.00 0.00 N ATOM 666 CA VAL A 42 0.869 2.080 -3.760 1.00 0.00 C ATOM 667 C VAL A 42 -0.276 2.949 -3.255 1.00 0.00 C ATOM 668 O VAL A 42 -1.263 2.442 -2.720 1.00 0.00 O ATOM 669 CB VAL A 42 1.989 2.061 -2.703 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.418 1.742 -1.329 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.060 1.048 -3.081 1.00 0.00 C ATOM 0 H VAL A 42 2.342 2.821 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 42 0.510 1.062 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 42 2.446 3.050 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.223 1.732 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.685 2.500 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.937 0.764 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.844 1.047 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.615 0.055 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.489 1.315 -4.047 1.00 0.00 H new ATOM 681 N ASN A 43 -0.140 4.258 -3.429 1.00 0.00 N ATOM 682 CA ASN A 43 -1.181 5.197 -3.028 1.00 0.00 C ATOM 683 C ASN A 43 -2.384 5.116 -3.957 1.00 0.00 C ATOM 684 O ASN A 43 -3.530 5.140 -3.509 1.00 0.00 O ATOM 685 CB ASN A 43 -0.655 6.620 -2.972 1.00 0.00 C ATOM 686 CG ASN A 43 -1.644 7.611 -2.425 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.066 7.521 -1.267 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.076 8.506 -3.277 1.00 0.00 N ATOM 0 H ASN A 43 0.682 4.694 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.500 4.913 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.245 6.641 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.362 6.929 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.795 9.172 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.693 8.537 -4.222 1.00 0.00 H new ATOM 695 N ALA A 44 -2.117 5.021 -5.256 1.00 0.00 N ATOM 696 CA ALA A 44 -3.177 4.970 -6.256 1.00 0.00 C ATOM 697 C ALA A 44 -4.014 3.707 -6.107 1.00 0.00 C ATOM 698 O ALA A 44 -5.244 3.757 -6.147 1.00 0.00 O ATOM 699 CB ALA A 44 -2.590 5.059 -7.656 1.00 0.00 C ATOM 0 H ALA A 44 -1.173 4.978 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.832 5.826 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.394 5.020 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.046 5.997 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.909 4.224 -7.819 1.00 0.00 H new ATOM 705 N LEU A 45 -3.341 2.574 -5.933 1.00 0.00 N ATOM 706 CA LEU A 45 -4.023 1.301 -5.731 1.00 0.00 C ATOM 707 C LEU A 45 -4.872 1.327 -4.466 1.00 0.00 C ATOM 708 O LEU A 45 -6.064 1.021 -4.502 1.00 0.00 O ATOM 709 CB LEU A 45 -3.002 0.158 -5.666 1.00 0.00 C ATOM 710 CG LEU A 45 -2.148 -0.027 -6.928 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.781 -0.586 -6.555 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.865 -0.957 -7.895 1.00 0.00 C ATOM 0 H LEU A 45 -2.323 2.512 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.688 1.134 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.338 0.333 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.534 -0.772 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.001 0.938 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.182 -0.714 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.277 0.105 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.904 -1.550 -6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.258 -1.088 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.023 -1.925 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.828 -0.525 -8.169 1.00 0.00 H new ATOM 724 N LYS A 46 -4.250 1.690 -3.350 1.00 0.00 N ATOM 725 CA LYS A 46 -4.939 1.721 -2.065 1.00 0.00 C ATOM 726 C LYS A 46 -6.107 2.699 -2.090 1.00 0.00 C ATOM 727 O LYS A 46 -7.133 2.472 -1.449 1.00 0.00 O ATOM 728 CB LYS A 46 -3.967 2.091 -0.944 1.00 0.00 C ATOM 729 CG LYS A 46 -4.423 1.674 0.448 1.00 0.00 C ATOM 730 CD LYS A 46 -3.728 2.492 1.526 1.00 0.00 C ATOM 731 CE LYS A 46 -4.266 3.913 1.577 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.593 4.727 2.626 1.00 0.00 N ATOM 0 H LYS A 46 -3.269 1.967 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.334 0.723 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.001 1.629 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.813 3.170 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.502 1.800 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.213 0.615 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.868 2.013 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.655 2.514 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.128 4.388 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.338 3.888 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.309 5.144 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.956 4.120 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.043 5.486 2.176 1.00 0.00 H new ATOM 746 N ASP A 47 -5.944 3.789 -2.832 1.00 0.00 N ATOM 747 CA ASP A 47 -6.911 4.880 -2.813 1.00 0.00 C ATOM 748 C ASP A 47 -8.334 4.357 -2.962 1.00 0.00 C ATOM 749 O ASP A 47 -9.248 4.815 -2.276 1.00 0.00 O ATOM 750 CB ASP A 47 -6.603 5.888 -3.924 1.00 0.00 C ATOM 751 CG ASP A 47 -7.399 7.183 -3.836 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.271 7.872 -2.852 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.006 7.551 -4.815 1.00 0.00 O ATOM 0 H ASP A 47 -5.150 3.940 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.831 5.380 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.540 6.127 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.800 5.419 -4.888 1.00 0.00 H new ATOM 758 N GLU A 48 -8.516 3.397 -3.862 1.00 0.00 N ATOM 759 CA GLU A 48 -9.824 2.796 -4.089 1.00 0.00 C ATOM 760 C GLU A 48 -10.304 2.039 -2.857 1.00 0.00 C ATOM 761 O GLU A 48 -11.488 2.066 -2.522 1.00 0.00 O ATOM 762 CB GLU A 48 -9.782 1.860 -5.299 1.00 0.00 C ATOM 763 CG GLU A 48 -9.621 2.568 -6.636 1.00 0.00 C ATOM 764 CD GLU A 48 -9.482 1.583 -7.763 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.445 0.406 -7.496 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.526 1.997 -8.897 1.00 0.00 O ATOM 0 H GLU A 48 -7.772 3.018 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.530 3.602 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.958 1.158 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.700 1.273 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.483 3.210 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.744 3.214 -6.604 1.00 0.00 H new ATOM 773 N ILE A 49 -9.377 1.364 -2.186 1.00 0.00 N ATOM 774 CA ILE A 49 -9.713 0.557 -1.018 1.00 0.00 C ATOM 775 C ILE A 49 -9.976 1.433 0.199 1.00 0.00 C ATOM 776 O ILE A 49 -10.879 1.158 0.990 1.00 0.00 O ATOM 777 CB ILE A 49 -8.593 -0.446 -0.685 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.319 -1.356 -1.885 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.965 -1.269 0.538 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.490 -2.230 -2.269 1.00 0.00 C ATOM 0 H ILE A 49 -8.387 1.359 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.620 0.006 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.683 0.110 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.042 -0.740 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.463 -1.991 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.163 -1.973 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.113 -0.607 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.886 -1.818 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.219 -2.845 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.754 -2.873 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.343 -1.603 -2.528 1.00 0.00 H new ATOM 792 N LEU A 50 -9.183 2.489 0.346 1.00 0.00 N ATOM 793 CA LEU A 50 -9.346 3.423 1.454 1.00 0.00 C ATOM 794 C LEU A 50 -10.678 4.156 1.364 1.00 0.00 C ATOM 795 O LEU A 50 -11.331 4.403 2.379 1.00 0.00 O ATOM 796 CB LEU A 50 -8.185 4.425 1.477 1.00 0.00 C ATOM 797 CG LEU A 50 -8.221 5.438 2.628 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.073 4.718 3.962 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.111 6.461 2.441 1.00 0.00 C ATOM 0 H LEU A 50 -8.419 2.720 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.339 2.852 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.248 3.870 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.178 4.971 0.534 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.179 5.957 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.100 5.446 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.891 4.008 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.123 4.185 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.138 7.180 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.146 5.954 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.253 6.983 1.495 1.00 0.00 H new ATOM 811 N LYS A 51 -11.077 4.501 0.145 1.00 0.00 N ATOM 812 CA LYS A 51 -12.366 5.143 -0.086 1.00 0.00 C ATOM 813 C LYS A 51 -13.511 4.154 0.080 1.00 0.00 C ATOM 814 O LYS A 51 -14.652 4.545 0.325 1.00 0.00 O ATOM 815 CB LYS A 51 -12.410 5.770 -1.481 1.00 0.00 C ATOM 816 CG LYS A 51 -11.543 7.011 -1.641 1.00 0.00 C ATOM 817 CD LYS A 51 -11.583 7.534 -3.069 1.00 0.00 C ATOM 818 CE LYS A 51 -10.792 8.827 -3.208 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.764 9.313 -4.614 1.00 0.00 N ATOM 0 H LYS A 51 -10.526 4.347 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.485 5.930 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.094 5.025 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.442 6.030 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.886 7.788 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.515 6.776 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.176 6.782 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.618 7.704 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.232 9.592 -2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.772 8.668 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.680 10.350 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.950 8.896 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.643 9.034 -5.095 1.00 0.00 H new ATOM 833 N ALA A 52 -13.200 2.868 -0.055 1.00 0.00 N ATOM 834 CA ALA A 52 -14.200 1.818 0.099 1.00 0.00 C ATOM 835 C ALA A 52 -14.500 1.555 1.569 1.00 0.00 C ATOM 836 O ALA A 52 -15.242 2.281 2.169 1.00 0.00 O ATOM 837 CB ALA A 52 -13.737 0.541 -0.588 1.00 0.00 C ATOM 838 OXT ALA A 52 -13.994 0.620 2.126 1.00 0.00 O ATOM 0 H ALA A 52 -12.263 2.529 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.121 2.157 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.494 -0.234 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.585 0.734 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.800 0.207 -0.142 1.00 0.00 H new TER 844 ALA A 52