USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 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+ -106:sc= 0.0678 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0662 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+ 175:sc= 0.92 (180deg=0.906) 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= 0.0106 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= -0.0204 K(o=-0.02,f=-1.2) 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= 0.305 USER MOD Single : A 43 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.6 (180deg=-0.342) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.555 -3.508 -1.004 1.00 0.00 N ATOM 2 CA GLY A 1 17.619 -2.565 -1.604 1.00 0.00 C ATOM 3 C GLY A 1 18.194 -1.155 -1.624 1.00 0.00 C ATOM 4 O GLY A 1 19.137 -0.848 -0.893 1.00 0.00 O ATOM 0 H1 GLY A 1 18.978 -4.099 -1.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.305 -2.985 -0.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.050 -4.114 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.384 -2.879 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.684 -2.571 -1.044 1.00 0.00 H new ATOM 10 N THR A 2 17.621 -0.299 -2.463 1.00 0.00 N ATOM 11 CA THR A 2 18.064 1.087 -2.565 1.00 0.00 C ATOM 12 C THR A 2 17.366 1.965 -1.535 1.00 0.00 C ATOM 13 O THR A 2 16.422 1.533 -0.874 1.00 0.00 O ATOM 14 CB THR A 2 17.807 1.659 -3.972 1.00 0.00 C ATOM 15 OG1 THR A 2 16.396 1.785 -4.188 1.00 0.00 O ATOM 16 CG2 THR A 2 18.399 0.748 -5.036 1.00 0.00 C ATOM 0 H THR A 2 16.848 -0.541 -3.083 1.00 0.00 H new ATOM 0 HA THR A 2 19.137 1.090 -2.372 1.00 0.00 H new ATOM 0 HB THR A 2 18.282 2.637 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.233 2.151 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.207 1.169 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.474 0.660 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.940 -0.238 -4.967 1.00 0.00 H new ATOM 24 N ILE A 3 17.837 3.201 -1.403 1.00 0.00 N ATOM 25 CA ILE A 3 17.223 4.161 -0.494 1.00 0.00 C ATOM 26 C ILE A 3 15.785 4.461 -0.898 1.00 0.00 C ATOM 27 O ILE A 3 14.903 4.578 -0.047 1.00 0.00 O ATOM 28 CB ILE A 3 18.018 5.478 -0.443 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.381 5.253 0.217 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.231 6.545 0.303 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.329 6.423 0.072 1.00 0.00 C ATOM 0 H ILE A 3 18.643 3.561 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 3 17.230 3.705 0.496 1.00 0.00 H new ATOM 0 HB ILE A 3 18.183 5.824 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.232 5.047 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.843 4.367 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.807 7.470 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.284 6.722 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.037 6.209 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.273 6.190 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.509 6.616 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.889 7.307 0.532 1.00 0.00 H new ATOM 43 N ASP A 4 15.556 4.584 -2.201 1.00 0.00 N ATOM 44 CA ASP A 4 14.213 4.806 -2.725 1.00 0.00 C ATOM 45 C ASP A 4 13.312 3.608 -2.454 1.00 0.00 C ATOM 46 O ASP A 4 12.132 3.766 -2.139 1.00 0.00 O ATOM 47 CB ASP A 4 14.265 5.096 -4.226 1.00 0.00 C ATOM 48 CG ASP A 4 14.814 6.472 -4.583 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.935 7.288 -3.701 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.253 6.644 -5.695 1.00 0.00 O ATOM 0 H ASP A 4 16.283 4.534 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 4 13.793 5.671 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.880 4.337 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.260 5.002 -4.637 1.00 0.00 H new ATOM 55 N GLU A 5 13.874 2.411 -2.578 1.00 0.00 N ATOM 56 CA GLU A 5 13.139 1.186 -2.289 1.00 0.00 C ATOM 57 C GLU A 5 12.867 1.046 -0.796 1.00 0.00 C ATOM 58 O GLU A 5 11.866 0.456 -0.391 1.00 0.00 O ATOM 59 CB GLU A 5 13.908 -0.034 -2.801 1.00 0.00 C ATOM 60 CG GLU A 5 13.948 -0.161 -4.317 1.00 0.00 C ATOM 61 CD GLU A 5 14.867 -1.270 -4.748 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.583 -1.778 -3.919 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.773 -1.686 -5.879 1.00 0.00 O ATOM 0 H GLU A 5 14.838 2.263 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 5 12.181 1.242 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.930 0.012 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.456 -0.934 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.943 -0.351 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.280 0.780 -4.754 1.00 0.00 H new ATOM 70 N TRP A 6 13.766 1.591 0.016 1.00 0.00 N ATOM 71 CA TRP A 6 13.575 1.614 1.462 1.00 0.00 C ATOM 72 C TRP A 6 12.416 2.521 1.851 1.00 0.00 C ATOM 73 O TRP A 6 11.609 2.178 2.714 1.00 0.00 O ATOM 74 CB TRP A 6 14.857 2.072 2.161 1.00 0.00 C ATOM 75 CG TRP A 6 15.973 1.076 2.077 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.862 -0.250 1.781 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.369 1.324 2.290 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.100 -0.844 1.797 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.043 0.105 2.107 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.113 2.464 2.618 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.417 -0.013 2.241 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.491 2.347 2.752 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.125 1.144 2.568 1.00 0.00 C ATOM 0 H TRP A 6 14.634 2.023 -0.302 1.00 0.00 H new ATOM 0 HA TRP A 6 13.336 0.600 1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.186 3.012 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.638 2.272 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.935 -0.760 1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.288 -1.829 1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.625 3.416 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.918 -0.959 2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.074 3.220 3.006 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.198 1.091 2.679 1.00 0.00 H new ATOM 94 N LEU A 7 12.338 3.682 1.208 1.00 0.00 N ATOM 95 CA LEU A 7 11.220 4.595 1.410 1.00 0.00 C ATOM 96 C LEU A 7 9.910 3.975 0.940 1.00 0.00 C ATOM 97 O LEU A 7 8.896 4.047 1.633 1.00 0.00 O ATOM 98 CB LEU A 7 11.477 5.918 0.677 1.00 0.00 C ATOM 99 CG LEU A 7 12.740 6.673 1.115 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.139 7.684 0.050 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.483 7.363 2.446 1.00 0.00 C ATOM 0 H LEU A 7 13.037 4.012 0.542 1.00 0.00 H new ATOM 0 HA LEU A 7 11.134 4.793 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.546 5.715 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.615 6.569 0.823 1.00 0.00 H new ATOM 0 HG LEU A 7 13.562 5.968 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.036 8.215 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.339 7.165 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.328 8.398 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.380 7.899 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.658 8.068 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.227 6.618 3.199 1.00 0.00 H new ATOM 113 N LEU A 8 9.939 3.367 -0.240 1.00 0.00 N ATOM 114 CA LEU A 8 8.765 2.697 -0.786 1.00 0.00 C ATOM 115 C LEU A 8 8.347 1.521 0.086 1.00 0.00 C ATOM 116 O LEU A 8 7.157 1.289 0.304 1.00 0.00 O ATOM 117 CB LEU A 8 9.042 2.226 -2.220 1.00 0.00 C ATOM 118 CG LEU A 8 8.036 1.212 -2.779 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.623 1.767 -2.675 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.385 0.894 -4.226 1.00 0.00 C ATOM 0 H LEU A 8 10.764 3.324 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 8 7.943 3.413 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.058 3.097 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.037 1.783 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 8 8.085 0.292 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.916 1.040 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.387 1.967 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.553 2.693 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.670 0.173 -4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.346 1.808 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.389 0.473 -4.274 1.00 0.00 H new ATOM 132 N LYS A 9 9.330 0.781 0.586 1.00 0.00 N ATOM 133 CA LYS A 9 9.076 -0.286 1.547 1.00 0.00 C ATOM 134 C LYS A 9 8.295 0.231 2.748 1.00 0.00 C ATOM 135 O LYS A 9 7.401 -0.445 3.256 1.00 0.00 O ATOM 136 CB LYS A 9 10.391 -0.917 2.007 1.00 0.00 C ATOM 137 CG LYS A 9 10.224 -2.098 2.954 1.00 0.00 C ATOM 138 CD LYS A 9 11.556 -2.783 3.225 1.00 0.00 C ATOM 139 CE LYS A 9 12.200 -3.269 1.936 1.00 0.00 C ATOM 140 NZ LYS A 9 13.565 -3.815 2.168 1.00 0.00 N ATOM 0 H LYS A 9 10.313 0.901 0.341 1.00 0.00 H new ATOM 0 HA LYS A 9 8.474 -1.047 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.948 -1.246 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.993 -0.154 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.791 -1.755 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.525 -2.815 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.228 -2.089 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.403 -3.627 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.573 -4.038 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.255 -2.445 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.969 -4.135 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.171 -3.074 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.510 -4.618 2.827 1.00 0.00 H new ATOM 154 N GLU A 10 8.638 1.433 3.199 1.00 0.00 N ATOM 155 CA GLU A 10 7.916 2.077 4.290 1.00 0.00 C ATOM 156 C GLU A 10 6.554 2.580 3.826 1.00 0.00 C ATOM 157 O GLU A 10 5.585 2.562 4.585 1.00 0.00 O ATOM 158 CB GLU A 10 8.735 3.234 4.865 1.00 0.00 C ATOM 159 CG GLU A 10 9.972 2.803 5.641 1.00 0.00 C ATOM 160 CD GLU A 10 10.775 3.992 6.092 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.408 5.094 5.762 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.690 3.808 6.860 1.00 0.00 O ATOM 0 H GLU A 10 9.413 1.981 2.825 1.00 0.00 H new ATOM 0 HA GLU A 10 7.758 1.333 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.042 3.887 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.096 3.824 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.673 2.213 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.591 2.160 5.015 1.00 0.00 H new ATOM 169 N ALA A 11 6.488 3.028 2.577 1.00 0.00 N ATOM 170 CA ALA A 11 5.232 3.479 1.990 1.00 0.00 C ATOM 171 C ALA A 11 4.214 2.347 1.931 1.00 0.00 C ATOM 172 O ALA A 11 3.028 2.552 2.188 1.00 0.00 O ATOM 173 CB ALA A 11 5.471 4.055 0.603 1.00 0.00 C ATOM 0 H ALA A 11 7.291 3.088 1.951 1.00 0.00 H new ATOM 0 HA ALA A 11 4.824 4.263 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.523 4.387 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.154 4.902 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.907 3.290 -0.039 1.00 0.00 H new ATOM 179 N LYS A 12 4.685 1.152 1.589 1.00 0.00 N ATOM 180 CA LYS A 12 3.813 -0.011 1.476 1.00 0.00 C ATOM 181 C LYS A 12 3.230 -0.395 2.830 1.00 0.00 C ATOM 182 O LYS A 12 2.030 -0.646 2.950 1.00 0.00 O ATOM 183 CB LYS A 12 4.575 -1.194 0.876 1.00 0.00 C ATOM 184 CG LYS A 12 4.999 -1.000 -0.573 1.00 0.00 C ATOM 185 CD LYS A 12 6.135 -1.940 -0.949 1.00 0.00 C ATOM 186 CE LYS A 12 6.461 -1.851 -2.432 1.00 0.00 C ATOM 187 NZ LYS A 12 7.459 -2.875 -2.844 1.00 0.00 N ATOM 0 H LYS A 12 5.667 0.964 1.385 1.00 0.00 H new ATOM 0 HA LYS A 12 2.989 0.252 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.463 -1.382 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.950 -2.084 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.147 -1.175 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.313 0.032 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.022 -1.694 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.861 -2.964 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.548 -1.980 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.846 -0.857 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.654 -2.780 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.340 -2.736 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.082 -3.825 -2.650 1.00 0.00 H new ATOM 201 N GLU A 13 4.084 -0.442 3.846 1.00 0.00 N ATOM 202 CA GLU A 13 3.665 -0.847 5.182 1.00 0.00 C ATOM 203 C GLU A 13 2.773 0.207 5.823 1.00 0.00 C ATOM 204 O GLU A 13 1.748 -0.115 6.423 1.00 0.00 O ATOM 205 CB GLU A 13 4.884 -1.114 6.067 1.00 0.00 C ATOM 206 CG GLU A 13 5.681 -2.353 5.684 1.00 0.00 C ATOM 207 CD GLU A 13 6.930 -2.477 6.511 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.183 -1.603 7.305 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.572 -3.499 6.432 1.00 0.00 O ATOM 0 H GLU A 13 5.073 -0.204 3.769 1.00 0.00 H new ATOM 0 HA GLU A 13 3.089 -1.767 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.543 -0.247 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.552 -1.216 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.064 -3.241 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.945 -2.306 4.628 1.00 0.00 H new ATOM 216 N LYS A 14 3.169 1.469 5.695 1.00 0.00 N ATOM 217 CA LYS A 14 2.513 2.556 6.410 1.00 0.00 C ATOM 218 C LYS A 14 1.102 2.789 5.884 1.00 0.00 C ATOM 219 O LYS A 14 0.181 3.068 6.652 1.00 0.00 O ATOM 220 CB LYS A 14 3.334 3.842 6.302 1.00 0.00 C ATOM 221 CG LYS A 14 4.587 3.862 7.169 1.00 0.00 C ATOM 222 CD LYS A 14 5.363 5.158 6.988 1.00 0.00 C ATOM 223 CE LYS A 14 4.515 6.368 7.353 1.00 0.00 C ATOM 224 NZ LYS A 14 5.203 7.647 7.029 1.00 0.00 N ATOM 0 H LYS A 14 3.944 1.764 5.101 1.00 0.00 H new ATOM 0 HA LYS A 14 2.442 2.269 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.624 3.987 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.702 4.686 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.309 3.745 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.224 3.015 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.258 5.138 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.696 5.243 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.566 6.321 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.283 6.340 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.592 8.446 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.096 7.704 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.402 7.685 6.009 1.00 0.00 H new ATOM 238 N ALA A 15 0.940 2.675 4.570 1.00 0.00 N ATOM 239 CA ALA A 15 -0.296 3.081 3.912 1.00 0.00 C ATOM 240 C ALA A 15 -1.459 2.189 4.327 1.00 0.00 C ATOM 241 O ALA A 15 -2.566 2.670 4.570 1.00 0.00 O ATOM 242 CB ALA A 15 -0.122 3.063 2.400 1.00 0.00 C ATOM 0 H ALA A 15 1.651 2.304 3.939 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.527 4.099 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.053 3.368 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.674 3.752 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.138 2.055 2.076 1.00 0.00 H new ATOM 248 N ILE A 16 -1.203 0.889 4.406 1.00 0.00 N ATOM 249 CA ILE A 16 -2.264 -0.092 4.607 1.00 0.00 C ATOM 250 C ILE A 16 -2.766 -0.071 6.045 1.00 0.00 C ATOM 251 O ILE A 16 -3.891 -0.484 6.327 1.00 0.00 O ATOM 252 CB ILE A 16 -1.792 -1.514 4.258 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.208 -1.552 2.844 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.942 -2.502 4.388 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.026 -0.792 1.825 1.00 0.00 C ATOM 0 H ILE A 16 -0.268 0.488 4.334 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.079 0.183 3.937 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.010 -1.801 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.199 -1.140 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.121 -2.591 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.592 -3.503 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.315 -2.494 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.745 -2.218 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.549 -0.865 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.028 -1.218 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.092 0.255 2.119 1.00 0.00 H new ATOM 267 N GLU A 17 -1.925 0.412 6.953 1.00 0.00 N ATOM 268 CA GLU A 17 -2.306 0.552 8.354 1.00 0.00 C ATOM 269 C GLU A 17 -3.660 1.236 8.490 1.00 0.00 C ATOM 270 O GLU A 17 -4.446 0.909 9.379 1.00 0.00 O ATOM 271 CB GLU A 17 -1.241 1.336 9.124 1.00 0.00 C ATOM 272 CG GLU A 17 0.054 0.573 9.359 1.00 0.00 C ATOM 273 CD GLU A 17 -0.181 -0.664 10.181 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.800 -0.560 11.211 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.160 -1.731 9.725 1.00 0.00 O ATOM 0 H GLU A 17 -0.973 0.714 6.744 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.385 -0.448 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.015 2.251 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.653 1.634 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.495 0.297 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.772 1.218 9.866 1.00 0.00 H new ATOM 282 N GLU A 18 -3.928 2.189 7.604 1.00 0.00 N ATOM 283 CA GLU A 18 -5.229 2.846 7.553 1.00 0.00 C ATOM 284 C GLU A 18 -6.326 1.865 7.162 1.00 0.00 C ATOM 285 O GLU A 18 -7.428 1.901 7.709 1.00 0.00 O ATOM 286 CB GLU A 18 -5.198 4.020 6.573 1.00 0.00 C ATOM 287 CG GLU A 18 -4.317 5.182 7.009 1.00 0.00 C ATOM 288 CD GLU A 18 -4.204 6.218 5.927 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.695 5.982 4.849 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.726 7.292 6.208 1.00 0.00 O ATOM 0 H GLU A 18 -3.260 2.524 6.910 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.451 3.225 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.850 3.660 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.215 4.385 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.731 5.637 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.324 4.812 7.266 1.00 0.00 H new ATOM 297 N LEU A 19 -6.019 0.989 6.211 1.00 0.00 N ATOM 298 CA LEU A 19 -6.966 -0.028 5.771 1.00 0.00 C ATOM 299 C LEU A 19 -7.284 -1.007 6.893 1.00 0.00 C ATOM 300 O LEU A 19 -8.423 -1.452 7.038 1.00 0.00 O ATOM 301 CB LEU A 19 -6.412 -0.776 4.551 1.00 0.00 C ATOM 302 CG LEU A 19 -6.886 -0.247 3.191 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.936 1.275 3.211 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.950 -0.741 2.099 1.00 0.00 C ATOM 0 H LEU A 19 -5.120 0.963 5.730 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.893 0.472 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.323 -0.732 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.691 -1.827 4.632 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.890 -0.618 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.274 1.641 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.629 1.606 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.942 1.669 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.287 -0.365 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.940 -0.382 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.951 -1.831 2.084 1.00 0.00 H new ATOM 316 N LYS A 20 -6.271 -1.340 7.685 1.00 0.00 N ATOM 317 CA LYS A 20 -6.463 -2.177 8.865 1.00 0.00 C ATOM 318 C LYS A 20 -7.420 -1.524 9.854 1.00 0.00 C ATOM 319 O LYS A 20 -8.248 -2.196 10.467 1.00 0.00 O ATOM 320 CB LYS A 20 -5.122 -2.464 9.542 1.00 0.00 C ATOM 321 CG LYS A 20 -4.142 -3.256 8.686 1.00 0.00 C ATOM 322 CD LYS A 20 -2.878 -3.595 9.462 1.00 0.00 C ATOM 323 CE LYS A 20 -1.847 -4.275 8.573 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.557 -4.490 9.281 1.00 0.00 N ATOM 0 H LYS A 20 -5.307 -1.043 7.532 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.903 -3.119 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.659 -1.517 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.305 -3.013 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.617 -4.175 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.883 -2.679 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.453 -2.684 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.127 -4.248 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.238 -5.234 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.676 -3.667 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.088 -5.030 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.129 -3.570 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.727 -5.020 10.159 1.00 0.00 H new ATOM 338 N LYS A 21 -7.300 -0.209 10.004 1.00 0.00 N ATOM 339 CA LYS A 21 -8.236 0.558 10.818 1.00 0.00 C ATOM 340 C LYS A 21 -9.609 0.625 10.163 1.00 0.00 C ATOM 341 O LYS A 21 -10.626 0.763 10.844 1.00 0.00 O ATOM 342 CB LYS A 21 -7.701 1.970 11.064 1.00 0.00 C ATOM 343 CG LYS A 21 -6.495 2.033 11.991 1.00 0.00 C ATOM 344 CD LYS A 21 -5.968 3.454 12.118 1.00 0.00 C ATOM 345 CE LYS A 21 -4.726 3.509 12.995 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.154 4.881 13.066 1.00 0.00 N ATOM 0 H LYS A 21 -6.563 0.348 9.572 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.340 0.048 11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.431 2.415 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.500 2.580 11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.771 1.656 12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.707 1.383 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.734 3.847 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.742 4.094 12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.976 3.168 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.975 2.823 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.310 4.874 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.891 5.197 12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.861 5.532 13.464 1.00 0.00 H new ATOM 360 N ALA A 22 -9.633 0.526 8.838 1.00 0.00 N ATOM 361 CA ALA A 22 -10.870 0.678 8.080 1.00 0.00 C ATOM 362 C ALA A 22 -11.646 -0.631 8.027 1.00 0.00 C ATOM 363 O ALA A 22 -12.777 -0.673 7.542 1.00 0.00 O ATOM 364 CB ALA A 22 -10.571 1.179 6.675 1.00 0.00 C ATOM 0 H ALA A 22 -8.809 0.341 8.266 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.491 1.415 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.504 1.288 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.068 2.145 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.926 0.464 6.163 1.00 0.00 H new ATOM 370 N GLY A 23 -11.034 -1.698 8.528 1.00 0.00 N ATOM 371 CA GLY A 23 -11.688 -3.000 8.588 1.00 0.00 C ATOM 372 C GLY A 23 -11.428 -3.806 7.321 1.00 0.00 C ATOM 373 O GLY A 23 -12.154 -4.752 7.016 1.00 0.00 O ATOM 0 H GLY A 23 -10.084 -1.687 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.325 -3.553 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.761 -2.865 8.723 1.00 0.00 H new ATOM 377 N ILE A 24 -10.387 -3.426 6.588 1.00 0.00 N ATOM 378 CA ILE A 24 -10.016 -4.127 5.365 1.00 0.00 C ATOM 379 C ILE A 24 -9.047 -5.265 5.654 1.00 0.00 C ATOM 380 O ILE A 24 -8.037 -5.076 6.335 1.00 0.00 O ATOM 381 CB ILE A 24 -9.380 -3.172 4.337 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.330 -2.013 4.026 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.018 -3.924 3.065 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.634 -2.446 3.396 1.00 0.00 C ATOM 0 H ILE A 24 -9.785 -2.636 6.820 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.936 -4.536 4.947 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.465 -2.762 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.544 -1.474 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.828 -1.314 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.570 -3.234 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.307 -4.716 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.918 -4.362 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.254 -1.570 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.431 -2.959 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.158 -3.121 4.072 1.00 0.00 H new ATOM 396 N THR A 25 -9.357 -6.448 5.136 1.00 0.00 N ATOM 397 CA THR A 25 -8.544 -7.632 5.384 1.00 0.00 C ATOM 398 C THR A 25 -8.126 -8.297 4.079 1.00 0.00 C ATOM 399 O THR A 25 -7.388 -9.282 4.082 1.00 0.00 O ATOM 400 CB THR A 25 -9.291 -8.659 6.256 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.491 -9.072 5.589 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.648 -8.054 7.605 1.00 0.00 C ATOM 0 H THR A 25 -10.168 -6.613 4.540 1.00 0.00 H new ATOM 0 HA THR A 25 -7.655 -7.295 5.917 1.00 0.00 H new ATOM 0 HB THR A 25 -8.641 -9.519 6.416 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.965 -9.727 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.175 -8.794 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.737 -7.749 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.288 -7.185 7.456 1.00 0.00 H new ATOM 410 N SER A 26 -8.604 -7.754 2.965 1.00 0.00 N ATOM 411 CA SER A 26 -8.334 -8.332 1.654 1.00 0.00 C ATOM 412 C SER A 26 -6.838 -8.379 1.371 1.00 0.00 C ATOM 413 O SER A 26 -6.209 -7.350 1.129 1.00 0.00 O ATOM 414 CB SER A 26 -9.050 -7.541 0.577 1.00 0.00 C ATOM 415 OG SER A 26 -8.822 -8.067 -0.702 1.00 0.00 O ATOM 0 H SER A 26 -9.181 -6.913 2.944 1.00 0.00 H new ATOM 0 HA SER A 26 -8.708 -9.356 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.121 -7.537 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.716 -6.504 0.607 1.00 0.00 H new ATOM 0 HG SER A 26 -9.522 -7.756 -1.313 1.00 0.00 H new ATOM 421 N ASP A 27 -6.272 -9.582 1.403 1.00 0.00 N ATOM 422 CA ASP A 27 -4.858 -9.772 1.106 1.00 0.00 C ATOM 423 C ASP A 27 -4.570 -9.543 -0.372 1.00 0.00 C ATOM 424 O ASP A 27 -3.459 -9.170 -0.747 1.00 0.00 O ATOM 425 CB ASP A 27 -4.407 -11.175 1.519 1.00 0.00 C ATOM 426 CG ASP A 27 -4.283 -11.380 3.022 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.308 -10.407 3.739 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.325 -12.508 3.452 1.00 0.00 O ATOM 0 H ASP A 27 -6.773 -10.440 1.632 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.295 -9.036 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.116 -11.902 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.443 -11.384 1.056 1.00 0.00 H new ATOM 433 N TYR A 28 -5.578 -9.768 -1.208 1.00 0.00 N ATOM 434 CA TYR A 28 -5.440 -9.572 -2.646 1.00 0.00 C ATOM 435 C TYR A 28 -4.956 -8.163 -2.966 1.00 0.00 C ATOM 436 O TYR A 28 -3.922 -7.982 -3.609 1.00 0.00 O ATOM 437 CB TYR A 28 -6.768 -9.845 -3.354 1.00 0.00 C ATOM 438 CG TYR A 28 -6.737 -9.573 -4.841 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.198 -10.498 -5.724 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.249 -8.394 -5.360 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.166 -10.256 -7.083 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.223 -8.140 -6.718 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.682 -9.074 -7.576 1.00 0.00 C ATOM 444 OH TYR A 28 -6.654 -8.827 -8.930 1.00 0.00 O ATOM 0 H TYR A 28 -6.501 -10.087 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.694 -10.279 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.048 -10.886 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.544 -9.231 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.796 -11.424 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.676 -7.661 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.740 -10.986 -7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.624 -7.215 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.057 -7.952 -9.111 1.00 0.00 H new ATOM 454 N TYR A 29 -5.711 -7.168 -2.513 1.00 0.00 N ATOM 455 CA TYR A 29 -5.398 -5.774 -2.808 1.00 0.00 C ATOM 456 C TYR A 29 -4.150 -5.320 -2.061 1.00 0.00 C ATOM 457 O TYR A 29 -3.423 -4.443 -2.526 1.00 0.00 O ATOM 458 CB TYR A 29 -6.581 -4.873 -2.450 1.00 0.00 C ATOM 459 CG TYR A 29 -7.790 -5.066 -3.339 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.754 -4.699 -4.677 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.963 -5.611 -2.840 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.854 -4.872 -5.493 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.069 -5.790 -3.647 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.011 -5.419 -4.975 1.00 0.00 C ATOM 465 OH TYR A 29 -11.110 -5.592 -5.785 1.00 0.00 O ATOM 0 H TYR A 29 -6.544 -7.301 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.203 -5.695 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.869 -5.062 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.263 -3.832 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.851 -4.271 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.013 -5.901 -1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.810 -4.581 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.974 -6.218 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.840 -5.990 -5.266 1.00 0.00 H new ATOM 475 N PHE A 30 -3.910 -5.922 -0.901 1.00 0.00 N ATOM 476 CA PHE A 30 -2.671 -5.698 -0.166 1.00 0.00 C ATOM 477 C PHE A 30 -1.463 -6.169 -0.965 1.00 0.00 C ATOM 478 O PHE A 30 -0.359 -5.647 -0.806 1.00 0.00 O ATOM 479 CB PHE A 30 -2.716 -6.411 1.187 1.00 0.00 C ATOM 480 CG PHE A 30 -3.728 -5.840 2.140 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.657 -4.906 1.709 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.751 -6.236 3.469 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.587 -4.378 2.585 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.681 -5.711 4.346 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.598 -4.782 3.904 1.00 0.00 C ATOM 0 H PHE A 30 -4.557 -6.569 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.572 -4.625 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.939 -7.466 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.729 -6.361 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.654 -4.587 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.034 -6.963 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.305 -3.650 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.689 -6.029 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.324 -4.371 4.589 1.00 0.00 H new ATOM 495 N ASP A 31 -1.678 -7.159 -1.826 1.00 0.00 N ATOM 496 CA ASP A 31 -0.625 -7.652 -2.705 1.00 0.00 C ATOM 497 C ASP A 31 -0.276 -6.627 -3.776 1.00 0.00 C ATOM 498 O ASP A 31 0.881 -6.503 -4.176 1.00 0.00 O ATOM 499 CB ASP A 31 -1.044 -8.972 -3.356 1.00 0.00 C ATOM 500 CG ASP A 31 0.081 -9.706 -4.072 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.039 -10.060 -3.426 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.091 -10.044 -5.218 1.00 0.00 O ATOM 0 H ASP A 31 -2.573 -7.636 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 31 0.263 -7.824 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.457 -9.626 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.844 -8.773 -4.070 1.00 0.00 H new ATOM 507 N LEU A 32 -1.285 -5.895 -4.238 1.00 0.00 N ATOM 508 CA LEU A 32 -1.125 -5.006 -5.382 1.00 0.00 C ATOM 509 C LEU A 32 -0.121 -3.900 -5.085 1.00 0.00 C ATOM 510 O LEU A 32 0.629 -3.475 -5.965 1.00 0.00 O ATOM 511 CB LEU A 32 -2.479 -4.406 -5.781 1.00 0.00 C ATOM 512 CG LEU A 32 -3.252 -5.189 -6.850 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.526 -6.606 -6.363 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.552 -4.467 -7.169 1.00 0.00 C ATOM 0 H LEU A 32 -2.223 -5.901 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.739 -5.593 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.101 -4.329 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.316 -3.391 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.654 -5.251 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.075 -7.154 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.581 -7.111 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.118 -6.568 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.101 -5.024 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.158 -4.392 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.331 -3.467 -7.542 1.00 0.00 H new ATOM 526 N ILE A 33 -0.112 -3.435 -3.840 1.00 0.00 N ATOM 527 CA ILE A 33 0.828 -2.405 -3.414 1.00 0.00 C ATOM 528 C ILE A 33 2.248 -2.952 -3.340 1.00 0.00 C ATOM 529 O ILE A 33 3.217 -2.194 -3.363 1.00 0.00 O ATOM 530 CB ILE A 33 0.441 -1.820 -2.043 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.467 -2.911 -0.970 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.931 -1.169 -2.112 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.980 -2.436 0.371 1.00 0.00 C ATOM 0 H ILE A 33 -0.746 -3.756 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 33 0.786 -1.613 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 33 1.170 -1.056 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.541 -3.307 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.092 -3.734 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.189 -0.761 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.916 -0.366 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.673 -1.913 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.969 -3.265 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.000 -2.067 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.342 -1.634 0.741 1.00 0.00 H new ATOM 545 N ASN A 34 2.364 -4.273 -3.252 1.00 0.00 N ATOM 546 CA ASN A 34 3.657 -4.938 -3.361 1.00 0.00 C ATOM 547 C ASN A 34 4.116 -5.012 -4.812 1.00 0.00 C ATOM 548 O ASN A 34 5.307 -4.897 -5.103 1.00 0.00 O ATOM 549 CB ASN A 34 3.622 -6.327 -2.751 1.00 0.00 C ATOM 550 CG ASN A 34 3.508 -6.325 -1.251 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.883 -5.355 -0.580 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.068 -7.436 -0.717 1.00 0.00 N ATOM 0 H ASN A 34 1.577 -4.905 -3.105 1.00 0.00 H new ATOM 0 HA ASN A 34 4.375 -4.339 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.780 -6.877 -3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.527 -6.863 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.022 -7.531 0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.771 -8.207 -1.315 1.00 0.00 H new ATOM 559 N LYS A 35 3.164 -5.207 -5.719 1.00 0.00 N ATOM 560 CA LYS A 35 3.423 -5.050 -7.146 1.00 0.00 C ATOM 561 C LYS A 35 3.727 -3.599 -7.494 1.00 0.00 C ATOM 562 O LYS A 35 4.333 -3.313 -8.527 1.00 0.00 O ATOM 563 CB LYS A 35 2.231 -5.549 -7.964 1.00 0.00 C ATOM 564 CG LYS A 35 2.059 -7.062 -7.967 1.00 0.00 C ATOM 565 CD LYS A 35 0.852 -7.480 -8.793 1.00 0.00 C ATOM 566 CE LYS A 35 0.696 -8.994 -8.821 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.479 -9.418 -9.629 1.00 0.00 N ATOM 0 H LYS A 35 2.206 -5.474 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 35 4.299 -5.650 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.321 -5.093 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.343 -5.206 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.957 -7.531 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.943 -7.419 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.049 -7.027 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.958 -7.105 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.600 -9.444 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.589 -9.366 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.549 -10.456 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.345 -9.010 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.366 -9.085 -10.608 1.00 0.00 H new ATOM 581 N ALA A 36 3.301 -2.686 -6.628 1.00 0.00 N ATOM 582 CA ALA A 36 3.474 -1.258 -6.873 1.00 0.00 C ATOM 583 C ALA A 36 4.929 -0.843 -6.699 1.00 0.00 C ATOM 584 O ALA A 36 5.287 -0.194 -5.716 1.00 0.00 O ATOM 585 CB ALA A 36 2.575 -0.451 -5.948 1.00 0.00 C ATOM 0 H ALA A 36 2.833 -2.909 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 36 3.189 -1.054 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.714 0.613 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.534 -0.719 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.832 -0.668 -4.911 1.00 0.00 H new ATOM 591 N LYS A 37 5.765 -1.219 -7.661 1.00 0.00 N ATOM 592 CA LYS A 37 7.189 -0.910 -7.603 1.00 0.00 C ATOM 593 C LYS A 37 7.425 0.595 -7.579 1.00 0.00 C ATOM 594 O LYS A 37 8.558 1.053 -7.430 1.00 0.00 O ATOM 595 CB LYS A 37 7.923 -1.538 -8.788 1.00 0.00 C ATOM 596 CG LYS A 37 9.440 -1.544 -8.658 1.00 0.00 C ATOM 597 CD LYS A 37 10.089 -2.338 -9.782 1.00 0.00 C ATOM 598 CE LYS A 37 11.594 -2.447 -9.585 1.00 0.00 C ATOM 599 NZ LYS A 37 12.234 -3.280 -10.640 1.00 0.00 N ATOM 0 H LYS A 37 5.480 -1.739 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 37 7.584 -1.332 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.577 -2.564 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.651 -0.999 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.812 -0.520 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.723 -1.973 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.652 -3.336 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.879 -1.858 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.034 -1.450 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.801 -2.879 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.259 -3.329 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.833 -4.239 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.058 -2.854 -11.573 1.00 0.00 H new ATOM 613 N THR A 38 6.349 1.360 -7.727 1.00 0.00 N ATOM 614 CA THR A 38 6.400 2.802 -7.518 1.00 0.00 C ATOM 615 C THR A 38 5.648 3.203 -6.255 1.00 0.00 C ATOM 616 O THR A 38 4.717 2.518 -5.832 1.00 0.00 O ATOM 617 CB THR A 38 5.812 3.568 -8.718 1.00 0.00 C ATOM 618 OG1 THR A 38 4.402 3.323 -8.801 1.00 0.00 O ATOM 619 CG2 THR A 38 6.476 3.122 -10.012 1.00 0.00 C ATOM 0 H THR A 38 5.430 1.005 -7.991 1.00 0.00 H new ATOM 0 HA THR A 38 7.452 3.066 -7.410 1.00 0.00 H new ATOM 0 HB THR A 38 5.995 4.633 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.029 3.812 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.048 3.673 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.547 3.318 -9.958 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.309 2.055 -10.157 1.00 0.00 H new ATOM 627 N VAL A 39 6.058 4.318 -5.658 1.00 0.00 N ATOM 628 CA VAL A 39 5.364 4.864 -4.498 1.00 0.00 C ATOM 629 C VAL A 39 3.975 5.365 -4.872 1.00 0.00 C ATOM 630 O VAL A 39 3.021 5.206 -4.110 1.00 0.00 O ATOM 631 CB VAL A 39 6.159 6.015 -3.855 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.335 6.689 -2.768 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.472 5.503 -3.284 1.00 0.00 C ATOM 0 H VAL A 39 6.868 4.861 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 39 5.271 4.052 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 39 6.382 6.751 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.912 7.500 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.419 7.090 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.082 5.960 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.020 6.331 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.269 4.747 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.070 5.064 -4.083 1.00 0.00 H new ATOM 643 N GLU A 40 3.868 5.971 -6.049 1.00 0.00 N ATOM 644 CA GLU A 40 2.595 6.501 -6.525 1.00 0.00 C ATOM 645 C GLU A 40 1.578 5.387 -6.734 1.00 0.00 C ATOM 646 O GLU A 40 0.383 5.574 -6.506 1.00 0.00 O ATOM 647 CB GLU A 40 2.793 7.283 -7.826 1.00 0.00 C ATOM 648 CG GLU A 40 3.535 8.601 -7.660 1.00 0.00 C ATOM 649 CD GLU A 40 3.785 9.260 -8.988 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.450 8.676 -9.991 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.205 10.392 -8.998 1.00 0.00 O ATOM 0 H GLU A 40 4.648 6.108 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 40 2.209 7.176 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.341 6.658 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.817 7.483 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.955 9.269 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.485 8.425 -7.155 1.00 0.00 H new ATOM 658 N GLY A 41 2.059 4.227 -7.170 1.00 0.00 N ATOM 659 CA GLY A 41 1.202 3.060 -7.347 1.00 0.00 C ATOM 660 C GLY A 41 0.542 2.658 -6.035 1.00 0.00 C ATOM 661 O GLY A 41 -0.665 2.418 -5.984 1.00 0.00 O ATOM 0 H GLY A 41 3.038 4.070 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.436 3.278 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.792 2.227 -7.731 1.00 0.00 H new ATOM 665 N VAL A 42 1.339 2.584 -4.975 1.00 0.00 N ATOM 666 CA VAL A 42 0.853 2.123 -3.681 1.00 0.00 C ATOM 667 C VAL A 42 -0.292 2.995 -3.179 1.00 0.00 C ATOM 668 O VAL A 42 -1.278 2.493 -2.639 1.00 0.00 O ATOM 669 CB VAL A 42 1.974 2.110 -2.626 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.407 1.810 -1.247 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.041 1.089 -2.995 1.00 0.00 C ATOM 0 H VAL A 42 2.327 2.838 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 42 0.494 1.104 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 42 2.434 3.098 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.214 1.805 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.679 2.575 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.921 0.834 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.826 1.093 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.593 0.097 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.470 1.345 -3.964 1.00 0.00 H new ATOM 681 N ASN A 43 -0.155 4.304 -3.361 1.00 0.00 N ATOM 682 CA ASN A 43 -1.193 5.246 -2.962 1.00 0.00 C ATOM 683 C ASN A 43 -2.396 5.169 -3.893 1.00 0.00 C ATOM 684 O ASN A 43 -3.542 5.188 -3.445 1.00 0.00 O ATOM 685 CB ASN A 43 -0.662 6.667 -2.907 1.00 0.00 C ATOM 686 CG ASN A 43 -1.649 7.662 -2.363 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.077 7.573 -1.206 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.074 8.559 -3.215 1.00 0.00 N ATOM 0 H ASN A 43 0.666 4.737 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.514 4.963 -1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.236 6.686 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.366 6.974 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.792 9.228 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.688 8.590 -4.158 1.00 0.00 H new ATOM 695 N ALA A 44 -2.127 5.080 -5.191 1.00 0.00 N ATOM 696 CA ALA A 44 -3.188 5.043 -6.192 1.00 0.00 C ATOM 697 C ALA A 44 -4.032 3.784 -6.054 1.00 0.00 C ATOM 698 O ALA A 44 -5.261 3.842 -6.089 1.00 0.00 O ATOM 699 CB ALA A 44 -2.598 5.140 -7.591 1.00 0.00 C ATOM 0 H ALA A 44 -1.183 5.032 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.839 5.901 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.401 5.111 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.048 6.076 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.921 4.302 -7.759 1.00 0.00 H new ATOM 705 N LEU A 45 -3.367 2.645 -5.896 1.00 0.00 N ATOM 706 CA LEU A 45 -4.055 1.373 -5.713 1.00 0.00 C ATOM 707 C LEU A 45 -4.909 1.386 -4.451 1.00 0.00 C ATOM 708 O LEU A 45 -6.102 1.089 -4.495 1.00 0.00 O ATOM 709 CB LEU A 45 -3.041 0.224 -5.660 1.00 0.00 C ATOM 710 CG LEU A 45 -2.182 0.053 -6.919 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.821 -0.523 -6.550 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.900 -0.854 -7.907 1.00 0.00 C ATOM 0 H LEU A 45 -2.349 2.577 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.717 1.221 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.380 0.383 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.579 -0.706 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.026 1.026 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.219 -0.640 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.315 0.153 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.954 -1.494 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.288 -0.975 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.070 -1.829 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.857 -0.410 -8.179 1.00 0.00 H new ATOM 724 N LYS A 46 -4.288 1.729 -3.327 1.00 0.00 N ATOM 725 CA LYS A 46 -4.980 1.742 -2.044 1.00 0.00 C ATOM 726 C LYS A 46 -6.150 2.716 -2.059 1.00 0.00 C ATOM 727 O LYS A 46 -7.178 2.477 -1.424 1.00 0.00 O ATOM 728 CB LYS A 46 -4.011 2.102 -0.916 1.00 0.00 C ATOM 729 CG LYS A 46 -4.471 1.673 0.470 1.00 0.00 C ATOM 730 CD LYS A 46 -3.786 2.486 1.558 1.00 0.00 C ATOM 731 CE LYS A 46 -4.327 3.907 1.612 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.656 4.718 2.665 1.00 0.00 N ATOM 0 H LYS A 46 -3.306 2.002 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.373 0.741 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.045 1.642 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.857 3.181 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.551 1.793 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.256 0.614 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.933 2.002 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.712 2.511 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.188 4.385 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.400 3.880 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.373 5.132 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.020 4.110 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.106 5.479 2.219 1.00 0.00 H new ATOM 746 N ASP A 47 -5.990 3.817 -2.786 1.00 0.00 N ATOM 747 CA ASP A 47 -6.977 4.889 -2.783 1.00 0.00 C ATOM 748 C ASP A 47 -8.385 4.341 -2.986 1.00 0.00 C ATOM 749 O ASP A 47 -9.335 4.796 -2.349 1.00 0.00 O ATOM 750 CB ASP A 47 -6.654 5.919 -3.868 1.00 0.00 C ATOM 751 CG ASP A 47 -7.431 7.223 -3.748 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.272 7.898 -2.758 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.051 7.612 -4.709 1.00 0.00 O ATOM 0 H ASP A 47 -5.184 3.990 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.936 5.376 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.587 6.141 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.858 5.477 -4.843 1.00 0.00 H new ATOM 758 N GLU A 48 -8.511 3.363 -3.876 1.00 0.00 N ATOM 759 CA GLU A 48 -9.798 2.730 -4.140 1.00 0.00 C ATOM 760 C GLU A 48 -10.306 1.981 -2.915 1.00 0.00 C ATOM 761 O GLU A 48 -11.503 1.980 -2.629 1.00 0.00 O ATOM 762 CB GLU A 48 -9.690 1.776 -5.332 1.00 0.00 C ATOM 763 CG GLU A 48 -9.493 2.466 -6.675 1.00 0.00 C ATOM 764 CD GLU A 48 -9.289 1.466 -7.778 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.236 0.294 -7.490 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.299 1.861 -8.920 1.00 0.00 O ATOM 0 H GLU A 48 -7.737 2.991 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.514 3.517 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.856 1.095 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.594 1.169 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.362 3.085 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.632 3.132 -6.621 1.00 0.00 H new ATOM 773 N ILE A 49 -9.389 1.346 -2.194 1.00 0.00 N ATOM 774 CA ILE A 49 -9.747 0.562 -1.018 1.00 0.00 C ATOM 775 C ILE A 49 -10.053 1.462 0.172 1.00 0.00 C ATOM 776 O ILE A 49 -11.011 1.229 0.910 1.00 0.00 O ATOM 777 CB ILE A 49 -8.625 -0.420 -0.630 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.303 -1.350 -1.803 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.024 -1.224 0.598 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.451 -2.249 -2.204 1.00 0.00 C ATOM 0 H ILE A 49 -8.391 1.359 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.640 -0.006 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.729 0.152 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.009 -0.747 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.445 -1.968 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.220 -1.913 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.207 -0.547 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.931 -1.789 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.146 -2.877 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.731 -2.879 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.304 -1.639 -2.501 1.00 0.00 H new ATOM 792 N LEU A 50 -9.236 2.494 0.353 1.00 0.00 N ATOM 793 CA LEU A 50 -9.419 3.433 1.453 1.00 0.00 C ATOM 794 C LEU A 50 -10.734 4.190 1.317 1.00 0.00 C ATOM 795 O LEU A 50 -11.386 4.504 2.313 1.00 0.00 O ATOM 796 CB LEU A 50 -8.243 4.415 1.513 1.00 0.00 C ATOM 797 CG LEU A 50 -8.281 5.411 2.679 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.163 4.669 4.004 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.155 6.421 2.524 1.00 0.00 C ATOM 0 H LEU A 50 -8.439 2.701 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.453 2.864 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.317 3.844 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.211 4.975 0.579 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.232 5.944 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.191 5.385 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.993 3.969 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.221 4.121 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.184 7.128 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.197 5.901 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.276 6.959 1.584 1.00 0.00 H new ATOM 811 N LYS A 51 -11.119 4.480 0.080 1.00 0.00 N ATOM 812 CA LYS A 51 -12.355 5.208 -0.188 1.00 0.00 C ATOM 813 C LYS A 51 -13.477 4.260 -0.589 1.00 0.00 C ATOM 814 O LYS A 51 -14.493 4.683 -1.140 1.00 0.00 O ATOM 815 CB LYS A 51 -12.134 6.254 -1.282 1.00 0.00 C ATOM 816 CG LYS A 51 -11.169 7.370 -0.901 1.00 0.00 C ATOM 817 CD LYS A 51 -10.986 8.358 -2.043 1.00 0.00 C ATOM 818 CE LYS A 51 -10.042 9.485 -1.654 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.809 10.430 -2.781 1.00 0.00 N ATOM 0 H LYS A 51 -10.593 4.222 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.649 5.714 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.758 5.754 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.095 6.696 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.544 7.893 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.204 6.942 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.594 7.838 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.953 8.773 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.456 10.028 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.090 9.065 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.160 11.183 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.390 9.917 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.714 10.851 -3.074 1.00 0.00 H new ATOM 833 N ALA A 52 -13.287 2.975 -0.310 1.00 0.00 N ATOM 834 CA ALA A 52 -14.286 1.965 -0.635 1.00 0.00 C ATOM 835 C ALA A 52 -15.561 2.170 0.175 1.00 0.00 C ATOM 836 O ALA A 52 -16.359 2.999 -0.165 1.00 0.00 O ATOM 837 CB ALA A 52 -13.726 0.569 -0.400 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.766 1.503 1.151 1.00 0.00 O ATOM 0 H ALA A 52 -12.449 2.608 0.141 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.538 2.069 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.484 -0.174 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.850 0.417 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.442 0.462 0.647 1.00 0.00 H new TER 844 ALA A 52