USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 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+ -162:sc= 0.825 (180deg=0.548) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.078 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+ 180:sc= 0 (180deg=0) 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 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= -0.0213 K(o=-0.021,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= 0.296 USER MOD Single : A 43 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 1.76 (180deg=-0.315) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.104 -2.786 -1.200 1.00 0.00 N ATOM 2 CA GLY A 1 17.511 -2.774 -1.580 1.00 0.00 C ATOM 3 C GLY A 1 18.083 -1.364 -1.532 1.00 0.00 C ATOM 4 O GLY A 1 19.003 -1.082 -0.764 1.00 0.00 O ATOM 0 H1 GLY A 1 15.821 -3.754 -0.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.959 -2.158 -0.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.526 -2.455 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.077 -3.422 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.622 -3.180 -2.585 1.00 0.00 H new ATOM 10 N THR A 2 17.533 -0.479 -2.357 1.00 0.00 N ATOM 11 CA THR A 2 17.997 0.902 -2.419 1.00 0.00 C ATOM 12 C THR A 2 17.292 1.768 -1.384 1.00 0.00 C ATOM 13 O THR A 2 16.329 1.334 -0.750 1.00 0.00 O ATOM 14 CB THR A 2 17.776 1.509 -3.817 1.00 0.00 C ATOM 15 OG1 THR A 2 16.371 1.661 -4.058 1.00 0.00 O ATOM 16 CG2 THR A 2 18.376 0.613 -4.889 1.00 0.00 C ATOM 0 H THR A 2 16.765 -0.694 -2.992 1.00 0.00 H new ATOM 0 HA THR A 2 19.066 0.884 -2.205 1.00 0.00 H new ATOM 0 HB THR A 2 18.266 2.482 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.232 2.049 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.210 1.058 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.447 0.505 -4.716 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.902 -0.368 -4.851 1.00 0.00 H new ATOM 24 N ILE A 3 17.775 2.993 -1.216 1.00 0.00 N ATOM 25 CA ILE A 3 17.153 3.944 -0.302 1.00 0.00 C ATOM 26 C ILE A 3 15.732 4.275 -0.736 1.00 0.00 C ATOM 27 O ILE A 3 14.830 4.394 0.094 1.00 0.00 O ATOM 28 CB ILE A 3 17.966 5.247 -0.202 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.309 4.988 0.486 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.178 6.311 0.546 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.279 6.144 0.390 1.00 0.00 C ATOM 0 H ILE A 3 18.597 3.352 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 3 17.128 3.467 0.678 1.00 0.00 H new ATOM 0 HB ILE A 3 18.161 5.611 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.130 4.763 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.768 4.104 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.768 7.225 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.248 6.515 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.953 5.957 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.206 5.884 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.489 6.356 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.842 7.026 0.858 1.00 0.00 H new ATOM 43 N ASP A 4 15.536 4.425 -2.042 1.00 0.00 N ATOM 44 CA ASP A 4 14.211 4.673 -2.596 1.00 0.00 C ATOM 45 C ASP A 4 13.283 3.489 -2.356 1.00 0.00 C ATOM 46 O ASP A 4 12.099 3.664 -2.069 1.00 0.00 O ATOM 47 CB ASP A 4 14.302 4.975 -4.093 1.00 0.00 C ATOM 48 CG ASP A 4 14.882 6.344 -4.425 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.996 7.151 -3.533 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.350 6.517 -5.525 1.00 0.00 O ATOM 0 H ASP A 4 16.281 4.379 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 4 13.795 5.541 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.915 4.209 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.305 4.901 -4.527 1.00 0.00 H new ATOM 55 N GLU A 5 13.828 2.283 -2.476 1.00 0.00 N ATOM 56 CA GLU A 5 13.067 1.068 -2.211 1.00 0.00 C ATOM 57 C GLU A 5 12.766 0.920 -0.725 1.00 0.00 C ATOM 58 O GLU A 5 11.749 0.343 -0.342 1.00 0.00 O ATOM 59 CB GLU A 5 13.824 -0.160 -2.720 1.00 0.00 C ATOM 60 CG GLU A 5 13.891 -0.273 -4.237 1.00 0.00 C ATOM 61 CD GLU A 5 14.794 -1.398 -4.660 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.480 -1.932 -3.823 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.715 -1.800 -5.797 1.00 0.00 O ATOM 0 H GLU A 5 14.795 2.121 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 5 12.119 1.145 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.839 -0.136 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.348 -1.056 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.890 -0.437 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.253 0.665 -4.658 1.00 0.00 H new ATOM 70 N TRP A 6 13.660 1.444 0.109 1.00 0.00 N ATOM 71 CA TRP A 6 13.442 1.463 1.550 1.00 0.00 C ATOM 72 C TRP A 6 12.294 2.392 1.922 1.00 0.00 C ATOM 73 O TRP A 6 11.466 2.062 2.773 1.00 0.00 O ATOM 74 CB TRP A 6 14.719 1.890 2.277 1.00 0.00 C ATOM 75 CG TRP A 6 15.821 0.879 2.195 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.697 -0.438 1.867 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.214 1.101 2.444 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.924 -1.052 1.898 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.874 -0.126 2.249 1.00 0.00 C ATOM 80 CE3 TRP A 6 17.968 2.221 2.814 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.243 -0.268 2.410 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.342 2.079 2.976 1.00 0.00 C ATOM 83 CH2 TRP A 6 19.960 0.871 2.778 1.00 0.00 C ATOM 0 H TRP A 6 14.542 1.861 -0.190 1.00 0.00 H new ATOM 0 HA TRP A 6 13.176 0.453 1.861 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.069 2.832 1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.485 2.077 3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.767 -0.928 1.618 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.101 -2.036 1.694 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.492 3.177 2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.733 -1.218 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 19.933 2.936 3.263 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.029 0.799 2.910 1.00 0.00 H new ATOM 94 N LEU A 7 12.247 3.554 1.280 1.00 0.00 N ATOM 95 CA LEU A 7 11.143 4.487 1.463 1.00 0.00 C ATOM 96 C LEU A 7 9.830 3.890 0.973 1.00 0.00 C ATOM 97 O LEU A 7 8.804 3.989 1.644 1.00 0.00 O ATOM 98 CB LEU A 7 11.436 5.804 0.734 1.00 0.00 C ATOM 99 CG LEU A 7 12.696 6.543 1.201 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.131 7.553 0.147 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.417 7.236 2.528 1.00 0.00 C ATOM 0 H LEU A 7 12.963 3.872 0.627 1.00 0.00 H new ATOM 0 HA LEU A 7 11.043 4.688 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.530 5.597 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.579 6.467 0.856 1.00 0.00 H new ATOM 0 HG LEU A 7 13.506 5.827 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.026 8.072 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.346 7.034 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.332 8.276 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.313 7.761 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.604 7.950 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.135 6.493 3.274 1.00 0.00 H new ATOM 113 N LEU A 8 9.870 3.270 -0.201 1.00 0.00 N ATOM 114 CA LEU A 8 8.698 2.604 -0.757 1.00 0.00 C ATOM 115 C LEU A 8 8.253 1.444 0.124 1.00 0.00 C ATOM 116 O LEU A 8 7.059 1.226 0.324 1.00 0.00 O ATOM 117 CB LEU A 8 8.992 2.113 -2.180 1.00 0.00 C ATOM 118 CG LEU A 8 7.987 1.099 -2.741 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.575 1.665 -2.660 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.351 0.764 -4.179 1.00 0.00 C ATOM 0 H LEU A 8 10.703 3.215 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 8 7.884 3.328 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.024 2.976 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.985 1.663 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 8 8.023 0.185 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.868 0.938 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.327 1.877 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.518 2.585 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.636 0.043 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.325 1.672 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.353 0.336 -4.210 1.00 0.00 H new ATOM 132 N LYS A 9 9.223 0.702 0.650 1.00 0.00 N ATOM 133 CA LYS A 9 8.942 -0.355 1.614 1.00 0.00 C ATOM 134 C LYS A 9 8.167 0.183 2.810 1.00 0.00 C ATOM 135 O LYS A 9 7.274 -0.483 3.334 1.00 0.00 O ATOM 136 CB LYS A 9 10.241 -1.013 2.081 1.00 0.00 C ATOM 137 CG LYS A 9 10.047 -2.149 3.077 1.00 0.00 C ATOM 138 CD LYS A 9 11.380 -2.647 3.614 1.00 0.00 C ATOM 139 CE LYS A 9 12.173 -1.521 4.261 1.00 0.00 C ATOM 140 NZ LYS A 9 13.535 -1.962 4.668 1.00 0.00 N ATOM 0 H LYS A 9 10.211 0.814 0.424 1.00 0.00 H new ATOM 0 HA LYS A 9 8.325 -1.104 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.774 -1.396 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.877 -0.253 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.424 -1.808 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.517 -2.971 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.207 -3.438 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.961 -3.083 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.255 -0.688 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.635 -1.154 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.042 -1.166 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.458 -2.740 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.059 -2.289 3.831 1.00 0.00 H new ATOM 154 N GLU A 10 8.515 1.391 3.239 1.00 0.00 N ATOM 155 CA GLU A 10 7.794 2.059 4.316 1.00 0.00 C ATOM 156 C GLU A 10 6.449 2.589 3.835 1.00 0.00 C ATOM 157 O GLU A 10 5.473 2.603 4.584 1.00 0.00 O ATOM 158 CB GLU A 10 8.633 3.201 4.895 1.00 0.00 C ATOM 159 CG GLU A 10 9.858 2.748 5.678 1.00 0.00 C ATOM 160 CD GLU A 10 10.686 3.921 6.122 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.343 5.029 5.785 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.596 3.721 6.893 1.00 0.00 O ATOM 0 H GLU A 10 9.293 1.928 2.857 1.00 0.00 H new ATOM 0 HA GLU A 10 7.609 1.323 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.957 3.847 4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.002 3.804 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.544 2.172 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.464 2.086 5.059 1.00 0.00 H new ATOM 169 N ALA A 11 6.406 3.024 2.580 1.00 0.00 N ATOM 170 CA ALA A 11 5.167 3.499 1.977 1.00 0.00 C ATOM 171 C ALA A 11 4.121 2.393 1.923 1.00 0.00 C ATOM 172 O ALA A 11 2.938 2.632 2.164 1.00 0.00 O ATOM 173 CB ALA A 11 5.433 4.049 0.583 1.00 0.00 C ATOM 0 H ALA A 11 7.216 3.057 1.961 1.00 0.00 H new ATOM 0 HA ALA A 11 4.774 4.301 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.498 4.400 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.137 4.878 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.854 3.263 -0.044 1.00 0.00 H new ATOM 179 N LYS A 12 4.564 1.181 1.607 1.00 0.00 N ATOM 180 CA LYS A 12 3.665 0.037 1.512 1.00 0.00 C ATOM 181 C LYS A 12 3.051 -0.296 2.866 1.00 0.00 C ATOM 182 O LYS A 12 1.846 -0.520 2.974 1.00 0.00 O ATOM 183 CB LYS A 12 4.404 -1.180 0.956 1.00 0.00 C ATOM 184 CG LYS A 12 4.850 -1.038 -0.493 1.00 0.00 C ATOM 185 CD LYS A 12 5.964 -2.019 -0.829 1.00 0.00 C ATOM 186 CE LYS A 12 6.346 -1.941 -2.299 1.00 0.00 C ATOM 187 NZ LYS A 12 7.340 -2.985 -2.672 1.00 0.00 N ATOM 0 H LYS A 12 5.542 0.965 1.412 1.00 0.00 H new ATOM 0 HA LYS A 12 2.858 0.303 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.280 -1.372 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.756 -2.053 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.001 -1.208 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.194 -0.019 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.837 -1.806 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.644 -3.033 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.452 -2.055 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.757 -0.955 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.573 -2.897 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.203 -2.861 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.939 -3.927 -2.490 1.00 0.00 H new ATOM 201 N GLU A 13 3.888 -0.325 3.898 1.00 0.00 N ATOM 202 CA GLU A 13 3.438 -0.677 5.240 1.00 0.00 C ATOM 203 C GLU A 13 2.563 0.420 5.832 1.00 0.00 C ATOM 204 O GLU A 13 1.522 0.143 6.427 1.00 0.00 O ATOM 205 CB GLU A 13 4.636 -0.944 6.153 1.00 0.00 C ATOM 206 CG GLU A 13 5.408 -2.214 5.823 1.00 0.00 C ATOM 207 CD GLU A 13 6.629 -2.352 6.689 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.886 -1.465 7.467 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.242 -3.393 6.655 1.00 0.00 O ATOM 0 H GLU A 13 4.883 -0.109 3.831 1.00 0.00 H new ATOM 0 HA GLU A 13 2.841 -1.586 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.317 -0.095 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.286 -1.004 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.762 -3.081 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.703 -2.200 4.774 1.00 0.00 H new ATOM 216 N LYS A 14 2.991 1.667 5.665 1.00 0.00 N ATOM 217 CA LYS A 14 2.344 2.794 6.325 1.00 0.00 C ATOM 218 C LYS A 14 0.951 3.038 5.760 1.00 0.00 C ATOM 219 O LYS A 14 0.030 3.404 6.490 1.00 0.00 O ATOM 220 CB LYS A 14 3.195 4.057 6.187 1.00 0.00 C ATOM 221 CG LYS A 14 4.437 4.078 7.069 1.00 0.00 C ATOM 222 CD LYS A 14 5.202 5.386 6.917 1.00 0.00 C ATOM 223 CE LYS A 14 4.305 6.586 7.181 1.00 0.00 C ATOM 224 NZ LYS A 14 4.087 6.810 8.635 1.00 0.00 N ATOM 0 H LYS A 14 3.784 1.922 5.077 1.00 0.00 H new ATOM 0 HA LYS A 14 2.245 2.548 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.501 4.162 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.579 4.924 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.148 3.942 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.086 3.242 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.044 5.400 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.615 5.453 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.752 7.477 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.344 6.435 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.471 7.637 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.637 5.970 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.001 6.980 9.101 1.00 0.00 H new ATOM 238 N ALA A 15 0.803 2.832 4.456 1.00 0.00 N ATOM 239 CA ALA A 15 -0.432 3.178 3.761 1.00 0.00 C ATOM 240 C ALA A 15 -1.574 2.262 4.178 1.00 0.00 C ATOM 241 O ALA A 15 -2.689 2.719 4.431 1.00 0.00 O ATOM 242 CB ALA A 15 -0.225 3.122 2.254 1.00 0.00 C ATOM 0 H ALA A 15 1.523 2.427 3.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.702 4.197 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.155 3.383 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.554 3.829 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.075 2.115 1.965 1.00 0.00 H new ATOM 248 N ILE A 16 -1.291 0.966 4.247 1.00 0.00 N ATOM 249 CA ILE A 16 -2.325 -0.033 4.492 1.00 0.00 C ATOM 250 C ILE A 16 -2.792 0.002 5.942 1.00 0.00 C ATOM 251 O ILE A 16 -3.902 -0.423 6.257 1.00 0.00 O ATOM 252 CB ILE A 16 -1.832 -1.452 4.155 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.292 -1.503 2.724 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.953 -2.463 4.342 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.164 -0.788 1.716 1.00 0.00 C ATOM 0 H ILE A 16 -0.353 0.582 4.137 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.161 0.214 3.838 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.022 -1.709 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.295 -1.062 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.185 -2.545 2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.587 -3.461 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.292 -2.443 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.784 -2.211 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.716 -0.868 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.154 -1.243 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.251 0.263 1.991 1.00 0.00 H new ATOM 267 N GLU A 17 -1.936 0.511 6.822 1.00 0.00 N ATOM 268 CA GLU A 17 -2.280 0.657 8.230 1.00 0.00 C ATOM 269 C GLU A 17 -3.642 1.319 8.399 1.00 0.00 C ATOM 270 O GLU A 17 -4.402 0.977 9.305 1.00 0.00 O ATOM 271 CB GLU A 17 -1.208 1.464 8.964 1.00 0.00 C ATOM 272 CG GLU A 17 -1.435 1.595 10.464 1.00 0.00 C ATOM 273 CD GLU A 17 -0.309 2.341 11.124 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.601 2.737 10.435 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.410 2.612 12.297 1.00 0.00 O ATOM 0 H GLU A 17 -0.997 0.830 6.583 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.330 -0.341 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.239 0.995 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.160 2.462 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.375 2.115 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.527 0.604 10.908 1.00 0.00 H new ATOM 282 N GLU A 18 -3.944 2.270 7.521 1.00 0.00 N ATOM 283 CA GLU A 18 -5.254 2.910 7.505 1.00 0.00 C ATOM 284 C GLU A 18 -6.351 1.910 7.157 1.00 0.00 C ATOM 285 O GLU A 18 -7.432 1.933 7.745 1.00 0.00 O ATOM 286 CB GLU A 18 -5.270 4.073 6.513 1.00 0.00 C ATOM 287 CG GLU A 18 -4.396 5.254 6.913 1.00 0.00 C ATOM 288 CD GLU A 18 -4.320 6.276 5.813 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.828 6.014 4.750 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.854 7.361 6.069 1.00 0.00 O ATOM 0 H GLU A 18 -3.298 2.615 6.811 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.449 3.296 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.943 3.708 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.297 4.420 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.797 5.717 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.393 4.902 7.154 1.00 0.00 H new ATOM 297 N LEU A 19 -6.065 1.035 6.200 1.00 0.00 N ATOM 298 CA LEU A 19 -7.004 -0.011 5.814 1.00 0.00 C ATOM 299 C LEU A 19 -7.245 -0.985 6.959 1.00 0.00 C ATOM 300 O LEU A 19 -8.365 -1.452 7.165 1.00 0.00 O ATOM 301 CB LEU A 19 -6.485 -0.758 4.578 1.00 0.00 C ATOM 302 CG LEU A 19 -7.021 -0.247 3.234 1.00 0.00 C ATOM 303 CD1 LEU A 19 -7.098 1.274 3.247 1.00 0.00 C ATOM 304 CD2 LEU A 19 -6.119 -0.731 2.109 1.00 0.00 C ATOM 0 H LEU A 19 -5.189 1.029 5.677 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.956 0.461 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.397 -0.695 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.742 -1.813 4.676 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.025 -0.638 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.479 1.627 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.766 1.598 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.104 1.687 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.501 -0.368 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.109 -0.352 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.100 -1.821 2.101 1.00 0.00 H new ATOM 316 N LYS A 20 -6.187 -1.290 7.703 1.00 0.00 N ATOM 317 CA LYS A 20 -6.297 -2.146 8.879 1.00 0.00 C ATOM 318 C LYS A 20 -7.203 -1.521 9.931 1.00 0.00 C ATOM 319 O LYS A 20 -7.972 -2.217 10.594 1.00 0.00 O ATOM 320 CB LYS A 20 -4.914 -2.421 9.471 1.00 0.00 C ATOM 321 CG LYS A 20 -3.973 -3.183 8.546 1.00 0.00 C ATOM 322 CD LYS A 20 -2.681 -3.556 9.257 1.00 0.00 C ATOM 323 CE LYS A 20 -1.697 -4.220 8.304 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.399 -4.521 8.967 1.00 0.00 N ATOM 0 H LYS A 20 -5.242 -0.957 7.512 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.741 -3.090 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.451 -1.471 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.034 -2.988 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.466 -4.086 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.746 -2.573 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.228 -2.662 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.901 -4.231 10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.131 -5.143 7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.525 -3.568 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.243 -4.972 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.028 -3.638 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.559 -5.164 9.769 1.00 0.00 H new ATOM 338 N LYS A 21 -7.107 -0.204 10.080 1.00 0.00 N ATOM 339 CA LYS A 21 -8.006 0.534 10.961 1.00 0.00 C ATOM 340 C LYS A 21 -9.432 0.523 10.428 1.00 0.00 C ATOM 341 O LYS A 21 -10.392 0.611 11.193 1.00 0.00 O ATOM 342 CB LYS A 21 -7.520 1.974 11.136 1.00 0.00 C ATOM 343 CG LYS A 21 -6.259 2.115 11.977 1.00 0.00 C ATOM 344 CD LYS A 21 -5.801 3.564 12.050 1.00 0.00 C ATOM 345 CE LYS A 21 -4.513 3.699 12.850 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.030 5.106 12.891 1.00 0.00 N ATOM 0 H LYS A 21 -6.416 0.374 9.602 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.003 0.039 11.932 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.335 2.404 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.316 2.560 11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.447 1.740 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.465 1.502 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.647 3.950 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.581 4.171 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.678 3.342 13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.744 3.064 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.151 5.155 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.848 5.439 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.753 5.708 13.334 1.00 0.00 H new ATOM 360 N ALA A 22 -9.564 0.416 9.110 1.00 0.00 N ATOM 361 CA ALA A 22 -10.871 0.466 8.464 1.00 0.00 C ATOM 362 C ALA A 22 -11.536 -0.906 8.460 1.00 0.00 C ATOM 363 O ALA A 22 -12.691 -1.045 8.059 1.00 0.00 O ATOM 364 CB ALA A 22 -10.742 1.001 7.046 1.00 0.00 C ATOM 0 H ALA A 22 -8.781 0.294 8.468 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.505 1.144 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.726 1.032 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.321 2.006 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.086 0.349 6.469 1.00 0.00 H new ATOM 370 N GLY A 23 -10.797 -1.916 8.907 1.00 0.00 N ATOM 371 CA GLY A 23 -11.329 -3.270 9.001 1.00 0.00 C ATOM 372 C GLY A 23 -11.112 -4.040 7.705 1.00 0.00 C ATOM 373 O GLY A 23 -11.778 -5.042 7.447 1.00 0.00 O ATOM 0 H GLY A 23 -9.828 -1.822 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.847 -3.796 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.394 -3.230 9.229 1.00 0.00 H new ATOM 377 N ILE A 24 -10.176 -3.564 6.890 1.00 0.00 N ATOM 378 CA ILE A 24 -9.850 -4.221 5.630 1.00 0.00 C ATOM 379 C ILE A 24 -8.687 -5.190 5.799 1.00 0.00 C ATOM 380 O ILE A 24 -7.631 -4.825 6.317 1.00 0.00 O ATOM 381 CB ILE A 24 -9.499 -3.198 4.535 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.644 -2.198 4.350 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.192 -3.907 3.224 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.959 -2.840 3.971 1.00 0.00 C ATOM 0 H ILE A 24 -9.629 -2.724 7.080 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.738 -4.775 5.325 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.610 -2.649 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.777 -1.637 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.366 -1.479 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.946 -3.169 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.346 -4.580 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.064 -4.480 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.721 -2.069 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.844 -3.377 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.262 -3.537 4.752 1.00 0.00 H new ATOM 396 N THR A 25 -8.886 -6.428 5.359 1.00 0.00 N ATOM 397 CA THR A 25 -7.869 -7.463 5.497 1.00 0.00 C ATOM 398 C THR A 25 -7.612 -8.164 4.169 1.00 0.00 C ATOM 399 O THR A 25 -6.889 -9.159 4.111 1.00 0.00 O ATOM 400 CB THR A 25 -8.271 -8.513 6.550 1.00 0.00 C ATOM 401 OG1 THR A 25 -9.519 -9.114 6.177 1.00 0.00 O ATOM 402 CG2 THR A 25 -8.413 -7.868 7.920 1.00 0.00 C ATOM 0 H THR A 25 -9.744 -6.739 4.903 1.00 0.00 H new ATOM 0 HA THR A 25 -6.956 -6.964 5.824 1.00 0.00 H new ATOM 0 HB THR A 25 -7.492 -9.274 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.773 -9.783 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.697 -8.625 8.651 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.463 -7.421 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.181 -7.095 7.881 1.00 0.00 H new ATOM 410 N SER A 26 -8.207 -7.638 3.104 1.00 0.00 N ATOM 411 CA SER A 26 -8.095 -8.248 1.784 1.00 0.00 C ATOM 412 C SER A 26 -6.640 -8.350 1.347 1.00 0.00 C ATOM 413 O SER A 26 -6.011 -7.348 1.008 1.00 0.00 O ATOM 414 CB SER A 26 -8.896 -7.453 0.772 1.00 0.00 C ATOM 415 OG SER A 26 -8.817 -8.006 -0.513 1.00 0.00 O ATOM 0 H SER A 26 -8.772 -6.789 3.129 1.00 0.00 H new ATOM 0 HA SER A 26 -8.499 -9.259 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.939 -7.414 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.531 -6.426 0.748 1.00 0.00 H new ATOM 0 HG SER A 26 -9.568 -7.684 -1.054 1.00 0.00 H new ATOM 421 N ASP A 27 -6.108 -9.568 1.356 1.00 0.00 N ATOM 422 CA ASP A 27 -4.715 -9.800 0.994 1.00 0.00 C ATOM 423 C ASP A 27 -4.481 -9.537 -0.488 1.00 0.00 C ATOM 424 O ASP A 27 -3.381 -9.161 -0.896 1.00 0.00 O ATOM 425 CB ASP A 27 -4.299 -11.230 1.346 1.00 0.00 C ATOM 426 CG ASP A 27 -4.121 -11.484 2.837 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.078 -10.533 3.581 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.186 -12.622 3.237 1.00 0.00 O ATOM 0 H ASP A 27 -6.622 -10.411 1.611 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.102 -9.103 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.050 -11.919 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.363 -11.459 0.836 1.00 0.00 H new ATOM 433 N TYR A 28 -5.521 -9.737 -1.291 1.00 0.00 N ATOM 434 CA TYR A 28 -5.426 -9.535 -2.732 1.00 0.00 C ATOM 435 C TYR A 28 -4.950 -8.126 -3.061 1.00 0.00 C ATOM 436 O TYR A 28 -3.943 -7.943 -3.743 1.00 0.00 O ATOM 437 CB TYR A 28 -6.776 -9.804 -3.400 1.00 0.00 C ATOM 438 CG TYR A 28 -6.791 -9.525 -4.887 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.274 -10.444 -5.789 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.322 -8.345 -5.383 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.285 -10.195 -7.148 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.339 -8.085 -6.740 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.819 -9.013 -7.620 1.00 0.00 C ATOM 444 OH TYR A 28 -6.834 -8.759 -8.972 1.00 0.00 O ATOM 0 H TYR A 28 -6.440 -10.039 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.692 -10.241 -3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.052 -10.845 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.537 -9.191 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.856 -11.370 -5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.729 -7.617 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.878 -10.921 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.757 -7.161 -7.110 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.245 -7.885 -9.136 1.00 0.00 H new ATOM 454 N TYR A 29 -5.683 -7.131 -2.573 1.00 0.00 N ATOM 455 CA TYR A 29 -5.385 -5.737 -2.878 1.00 0.00 C ATOM 456 C TYR A 29 -4.117 -5.277 -2.168 1.00 0.00 C ATOM 457 O TYR A 29 -3.398 -4.409 -2.662 1.00 0.00 O ATOM 458 CB TYR A 29 -6.560 -4.839 -2.487 1.00 0.00 C ATOM 459 CG TYR A 29 -7.800 -5.053 -3.327 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.825 -4.684 -4.664 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.942 -5.620 -2.781 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.955 -4.875 -5.436 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.077 -5.818 -3.544 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.080 -5.443 -4.872 1.00 0.00 C ATOM 465 OH TYR A 29 -11.207 -5.637 -5.636 1.00 0.00 O ATOM 0 H TYR A 29 -6.490 -7.265 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.222 -5.659 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.807 -5.016 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.252 -3.797 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.947 -4.240 -5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.944 -5.912 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.958 -4.581 -6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.957 -6.264 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.907 -6.048 -5.087 1.00 0.00 H new ATOM 475 N PHE A 30 -3.849 -5.866 -1.008 1.00 0.00 N ATOM 476 CA PHE A 30 -2.589 -5.641 -0.308 1.00 0.00 C ATOM 477 C PHE A 30 -1.408 -6.149 -1.124 1.00 0.00 C ATOM 478 O PHE A 30 -0.290 -5.651 -0.991 1.00 0.00 O ATOM 479 CB PHE A 30 -2.612 -6.320 1.063 1.00 0.00 C ATOM 480 CG PHE A 30 -3.649 -5.764 1.998 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.609 -4.874 1.542 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.666 -6.132 3.335 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.562 -4.361 2.399 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.620 -5.620 4.195 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.567 -4.734 3.728 1.00 0.00 C ATOM 0 H PHE A 30 -4.488 -6.503 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.470 -4.566 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.793 -7.386 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.629 -6.220 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.611 -4.578 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.927 -6.825 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.303 -3.668 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.623 -5.915 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.311 -4.333 4.400 1.00 0.00 H new ATOM 495 N ASP A 31 -1.662 -7.143 -1.969 1.00 0.00 N ATOM 496 CA ASP A 31 -0.643 -7.655 -2.878 1.00 0.00 C ATOM 497 C ASP A 31 -0.309 -6.636 -3.961 1.00 0.00 C ATOM 498 O ASP A 31 0.837 -6.536 -4.399 1.00 0.00 O ATOM 499 CB ASP A 31 -1.104 -8.967 -3.515 1.00 0.00 C ATOM 500 CG ASP A 31 -0.006 -9.734 -4.241 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.950 -10.108 -3.604 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.203 -10.075 -5.383 1.00 0.00 O ATOM 0 H ASP A 31 -2.566 -7.610 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 31 0.259 -7.842 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.524 -9.606 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.907 -8.752 -4.220 1.00 0.00 H new ATOM 507 N LEU A 32 -1.316 -5.883 -4.388 1.00 0.00 N ATOM 508 CA LEU A 32 -1.165 -4.969 -5.515 1.00 0.00 C ATOM 509 C LEU A 32 -0.162 -3.868 -5.199 1.00 0.00 C ATOM 510 O LEU A 32 0.597 -3.439 -6.069 1.00 0.00 O ATOM 511 CB LEU A 32 -2.523 -4.363 -5.891 1.00 0.00 C ATOM 512 CG LEU A 32 -3.309 -5.134 -6.959 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.592 -6.550 -6.479 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.605 -4.399 -7.267 1.00 0.00 C ATOM 0 H LEU A 32 -2.247 -5.887 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.784 -5.537 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.134 -4.295 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.363 -3.345 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.716 -5.196 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.150 -7.089 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.650 -7.064 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.178 -6.513 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.163 -4.948 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.205 -4.323 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.377 -3.399 -7.636 1.00 0.00 H new ATOM 526 N ILE A 33 -0.163 -3.413 -3.951 1.00 0.00 N ATOM 527 CA ILE A 33 0.773 -2.387 -3.509 1.00 0.00 C ATOM 528 C ILE A 33 2.190 -2.939 -3.413 1.00 0.00 C ATOM 529 O ILE A 33 3.163 -2.184 -3.420 1.00 0.00 O ATOM 530 CB ILE A 33 0.368 -1.801 -2.144 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.377 -2.892 -1.071 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.004 -1.148 -2.233 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.869 -2.419 0.278 1.00 0.00 C ATOM 0 H ILE A 33 -0.803 -3.739 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 33 0.744 -1.594 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 33 1.094 -1.038 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.633 -3.288 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.007 -3.715 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.276 -0.739 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.978 -0.345 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.742 -1.892 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.846 -3.248 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.890 -2.050 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.226 -1.617 0.639 1.00 0.00 H new ATOM 545 N ASN A 34 2.300 -4.260 -3.321 1.00 0.00 N ATOM 546 CA ASN A 34 3.592 -4.929 -3.416 1.00 0.00 C ATOM 547 C ASN A 34 4.071 -5.002 -4.860 1.00 0.00 C ATOM 548 O ASN A 34 5.267 -4.901 -5.132 1.00 0.00 O ATOM 549 CB ASN A 34 3.542 -6.320 -2.810 1.00 0.00 C ATOM 550 CG ASN A 34 3.411 -6.322 -1.311 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.793 -5.362 -0.633 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.951 -7.430 -0.787 1.00 0.00 N ATOM 0 H ASN A 34 1.509 -4.889 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 34 4.305 -4.333 -2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.701 -6.864 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.447 -6.860 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.895 -7.530 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.648 -8.193 -1.392 1.00 0.00 H new ATOM 559 N LYS A 35 3.131 -5.176 -5.781 1.00 0.00 N ATOM 560 CA LYS A 35 3.411 -5.015 -7.203 1.00 0.00 C ATOM 561 C LYS A 35 3.728 -3.564 -7.541 1.00 0.00 C ATOM 562 O LYS A 35 4.347 -3.276 -8.566 1.00 0.00 O ATOM 563 CB LYS A 35 2.230 -5.505 -8.042 1.00 0.00 C ATOM 564 CG LYS A 35 2.049 -7.017 -8.052 1.00 0.00 C ATOM 565 CD LYS A 35 0.852 -7.426 -8.896 1.00 0.00 C ATOM 566 CE LYS A 35 0.687 -8.939 -8.929 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.479 -9.353 -9.756 1.00 0.00 N ATOM 0 H LYS A 35 2.166 -5.429 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 35 4.287 -5.619 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.317 -5.045 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.361 -5.160 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.950 -7.490 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.916 -7.376 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.052 -6.969 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.975 -7.050 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.594 -9.394 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.562 -9.313 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.556 -10.390 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.348 -8.940 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.348 -9.019 -10.732 1.00 0.00 H new ATOM 581 N ALA A 36 3.301 -2.653 -6.673 1.00 0.00 N ATOM 582 CA ALA A 36 3.483 -1.226 -6.909 1.00 0.00 C ATOM 583 C ALA A 36 4.939 -0.819 -6.726 1.00 0.00 C ATOM 584 O ALA A 36 5.295 -0.178 -5.737 1.00 0.00 O ATOM 585 CB ALA A 36 2.584 -0.417 -5.986 1.00 0.00 C ATOM 0 H ALA A 36 2.826 -2.878 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 36 3.204 -1.017 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.732 0.646 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.542 -0.677 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.833 -0.640 -4.948 1.00 0.00 H new ATOM 591 N LYS A 37 5.778 -1.195 -7.685 1.00 0.00 N ATOM 592 CA LYS A 37 7.204 -0.893 -7.619 1.00 0.00 C ATOM 593 C LYS A 37 7.447 0.609 -7.571 1.00 0.00 C ATOM 594 O LYS A 37 8.579 1.059 -7.401 1.00 0.00 O ATOM 595 CB LYS A 37 7.938 -1.506 -8.812 1.00 0.00 C ATOM 596 CG LYS A 37 9.454 -1.519 -8.679 1.00 0.00 C ATOM 597 CD LYS A 37 10.103 -2.305 -9.810 1.00 0.00 C ATOM 598 CE LYS A 37 11.606 -2.420 -9.612 1.00 0.00 C ATOM 599 NZ LYS A 37 12.245 -3.248 -10.671 1.00 0.00 N ATOM 0 H LYS A 37 5.495 -1.710 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 37 7.595 -1.331 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.589 -2.529 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.669 -0.953 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.830 -0.496 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.733 -1.958 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.664 -3.301 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.896 -1.815 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.049 -1.424 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.811 -2.859 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.269 -3.301 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.841 -4.206 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.072 -2.816 -11.601 1.00 0.00 H new ATOM 613 N THR A 38 6.376 1.382 -7.721 1.00 0.00 N ATOM 614 CA THR A 38 6.431 2.821 -7.491 1.00 0.00 C ATOM 615 C THR A 38 5.669 3.207 -6.231 1.00 0.00 C ATOM 616 O THR A 38 4.730 2.522 -5.828 1.00 0.00 O ATOM 617 CB THR A 38 5.860 3.606 -8.686 1.00 0.00 C ATOM 618 OG1 THR A 38 4.449 3.372 -8.784 1.00 0.00 O ATOM 619 CG2 THR A 38 6.532 3.174 -9.979 1.00 0.00 C ATOM 0 H THR A 38 5.459 1.035 -8.001 1.00 0.00 H new ATOM 0 HA THR A 38 7.483 3.079 -7.368 1.00 0.00 H new ATOM 0 HB THR A 38 6.050 4.668 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.086 3.873 -9.544 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.115 3.740 -10.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.604 3.362 -9.913 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.360 2.110 -10.141 1.00 0.00 H new ATOM 627 N VAL A 39 6.078 4.310 -5.613 1.00 0.00 N ATOM 628 CA VAL A 39 5.378 4.842 -4.450 1.00 0.00 C ATOM 629 C VAL A 39 3.995 5.356 -4.827 1.00 0.00 C ATOM 630 O VAL A 39 3.034 5.192 -4.075 1.00 0.00 O ATOM 631 CB VAL A 39 6.173 5.979 -3.782 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.342 6.640 -2.691 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.479 5.450 -3.208 1.00 0.00 C ATOM 0 H VAL A 39 6.892 4.854 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 39 5.276 4.019 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 39 6.407 6.727 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.919 7.441 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.432 7.053 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.079 5.900 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.028 6.267 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.265 4.683 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.081 5.020 -4.009 1.00 0.00 H new ATOM 643 N GLU A 40 3.899 5.977 -5.997 1.00 0.00 N ATOM 644 CA GLU A 40 2.634 6.521 -6.476 1.00 0.00 C ATOM 645 C GLU A 40 1.613 5.415 -6.709 1.00 0.00 C ATOM 646 O GLU A 40 0.417 5.604 -6.488 1.00 0.00 O ATOM 647 CB GLU A 40 2.846 7.320 -7.764 1.00 0.00 C ATOM 648 CG GLU A 40 3.593 8.632 -7.573 1.00 0.00 C ATOM 649 CD GLU A 40 3.856 9.307 -8.890 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.527 8.739 -9.904 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.282 10.438 -8.881 1.00 0.00 O ATOM 0 H GLU A 40 4.684 6.116 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 40 2.246 7.188 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.396 6.703 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.874 7.531 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.011 9.294 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.538 8.444 -7.063 1.00 0.00 H new ATOM 658 N GLY A 41 2.092 4.259 -7.156 1.00 0.00 N ATOM 659 CA GLY A 41 1.231 3.099 -7.356 1.00 0.00 C ATOM 660 C GLY A 41 0.547 2.689 -6.058 1.00 0.00 C ATOM 661 O GLY A 41 -0.660 2.453 -6.029 1.00 0.00 O ATOM 0 H GLY A 41 3.073 4.100 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.478 3.328 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.822 2.266 -7.738 1.00 0.00 H new ATOM 665 N VAL A 42 1.327 2.606 -4.985 1.00 0.00 N ATOM 666 CA VAL A 42 0.818 2.133 -3.704 1.00 0.00 C ATOM 667 C VAL A 42 -0.332 3.002 -3.212 1.00 0.00 C ATOM 668 O VAL A 42 -1.329 2.495 -2.697 1.00 0.00 O ATOM 669 CB VAL A 42 1.924 2.108 -2.631 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.334 1.795 -1.265 1.00 0.00 C ATOM 671 CG2 VAL A 42 2.994 1.089 -2.994 1.00 0.00 C ATOM 0 H VAL A 42 2.315 2.861 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 42 0.458 1.117 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 42 2.386 3.094 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.129 1.781 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.602 2.559 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.847 0.820 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.767 1.084 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.545 0.098 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.438 1.353 -3.954 1.00 0.00 H new ATOM 681 N ASN A 43 -0.188 4.313 -3.374 1.00 0.00 N ATOM 682 CA ASN A 43 -1.231 5.252 -2.980 1.00 0.00 C ATOM 683 C ASN A 43 -2.421 5.183 -3.930 1.00 0.00 C ATOM 684 O ASN A 43 -3.574 5.205 -3.498 1.00 0.00 O ATOM 685 CB ASN A 43 -0.699 6.672 -2.906 1.00 0.00 C ATOM 686 CG ASN A 43 -1.695 7.663 -2.369 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.139 7.566 -1.219 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.107 8.567 -3.221 1.00 0.00 N ATOM 0 H ASN A 43 0.642 4.749 -3.776 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.567 4.962 -1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.190 6.685 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.388 6.986 -3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.828 9.235 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.707 8.604 -4.159 1.00 0.00 H new ATOM 695 N ALA A 44 -2.134 5.101 -5.225 1.00 0.00 N ATOM 696 CA ALA A 44 -3.180 5.066 -6.240 1.00 0.00 C ATOM 697 C ALA A 44 -4.027 3.807 -6.113 1.00 0.00 C ATOM 698 O ALA A 44 -5.256 3.864 -6.184 1.00 0.00 O ATOM 699 CB ALA A 44 -2.571 5.162 -7.631 1.00 0.00 C ATOM 0 H ALA A 44 -1.185 5.058 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.832 5.925 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.364 5.135 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.018 6.097 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.893 4.323 -7.790 1.00 0.00 H new ATOM 705 N LEU A 45 -3.365 2.670 -5.927 1.00 0.00 N ATOM 706 CA LEU A 45 -4.056 1.396 -5.777 1.00 0.00 C ATOM 707 C LEU A 45 -4.927 1.385 -4.526 1.00 0.00 C ATOM 708 O LEU A 45 -6.116 1.076 -4.589 1.00 0.00 O ATOM 709 CB LEU A 45 -3.044 0.244 -5.731 1.00 0.00 C ATOM 710 CG LEU A 45 -2.168 0.096 -6.983 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.813 -0.485 -6.605 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.874 -0.795 -7.994 1.00 0.00 C ATOM 0 H LEU A 45 -2.348 2.606 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.706 1.262 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.395 0.386 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.586 -0.689 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.006 1.076 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.198 -0.586 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.317 0.179 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.952 -1.464 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.252 -0.900 -8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.048 -1.777 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.829 -0.347 -8.270 1.00 0.00 H new ATOM 724 N LYS A 46 -4.326 1.726 -3.391 1.00 0.00 N ATOM 725 CA LYS A 46 -5.038 1.726 -2.119 1.00 0.00 C ATOM 726 C LYS A 46 -6.207 2.702 -2.141 1.00 0.00 C ATOM 727 O LYS A 46 -7.239 2.465 -1.513 1.00 0.00 O ATOM 728 CB LYS A 46 -4.086 2.071 -0.972 1.00 0.00 C ATOM 729 CG LYS A 46 -4.583 1.655 0.406 1.00 0.00 C ATOM 730 CD LYS A 46 -3.916 2.469 1.503 1.00 0.00 C ATOM 731 CE LYS A 46 -4.440 3.897 1.534 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.784 4.710 2.592 1.00 0.00 N ATOM 0 H LYS A 46 -3.347 2.006 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.435 0.723 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.125 1.592 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.912 3.147 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.664 1.785 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.382 0.595 0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.093 1.994 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.838 2.479 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.275 4.365 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.517 3.884 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.506 5.083 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.116 4.115 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.271 5.501 2.154 1.00 0.00 H new ATOM 746 N ASP A 47 -6.038 3.802 -2.867 1.00 0.00 N ATOM 747 CA ASP A 47 -7.038 4.863 -2.894 1.00 0.00 C ATOM 748 C ASP A 47 -8.433 4.299 -3.134 1.00 0.00 C ATOM 749 O ASP A 47 -9.410 4.764 -2.548 1.00 0.00 O ATOM 750 CB ASP A 47 -6.696 5.896 -3.971 1.00 0.00 C ATOM 751 CG ASP A 47 -7.467 7.204 -3.856 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.312 7.877 -2.864 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.080 7.595 -4.820 1.00 0.00 O ATOM 0 H ASP A 47 -5.217 3.982 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.031 5.352 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.629 6.112 -3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.890 5.459 -4.951 1.00 0.00 H new ATOM 758 N GLU A 48 -8.518 3.296 -4.001 1.00 0.00 N ATOM 759 CA GLU A 48 -9.788 2.643 -4.295 1.00 0.00 C ATOM 760 C GLU A 48 -10.344 1.939 -3.064 1.00 0.00 C ATOM 761 O GLU A 48 -11.552 1.946 -2.825 1.00 0.00 O ATOM 762 CB GLU A 48 -9.625 1.645 -5.443 1.00 0.00 C ATOM 763 CG GLU A 48 -9.375 2.283 -6.801 1.00 0.00 C ATOM 764 CD GLU A 48 -9.113 1.243 -7.855 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.062 0.084 -7.519 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.076 1.594 -9.011 1.00 0.00 O ATOM 0 H GLU A 48 -7.721 2.917 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.497 3.415 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.796 0.976 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.523 1.030 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.238 2.884 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.523 2.960 -6.736 1.00 0.00 H new ATOM 773 N ILE A 49 -9.456 1.331 -2.284 1.00 0.00 N ATOM 774 CA ILE A 49 -9.858 0.602 -1.089 1.00 0.00 C ATOM 775 C ILE A 49 -10.191 1.555 0.052 1.00 0.00 C ATOM 776 O ILE A 49 -11.189 1.377 0.751 1.00 0.00 O ATOM 777 CB ILE A 49 -8.761 -0.374 -0.625 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.404 -1.349 -1.751 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.211 -1.130 0.615 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.545 -2.249 -2.163 1.00 0.00 C ATOM 0 H ILE A 49 -8.451 1.330 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.749 0.032 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.870 0.201 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.070 -0.780 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.564 -1.966 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.424 -1.815 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.418 -0.422 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.115 -1.695 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.216 -2.911 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.865 -2.845 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.379 -1.641 -2.514 1.00 0.00 H new ATOM 792 N LEU A 50 -9.350 2.567 0.235 1.00 0.00 N ATOM 793 CA LEU A 50 -9.535 3.531 1.313 1.00 0.00 C ATOM 794 C LEU A 50 -10.823 4.324 1.129 1.00 0.00 C ATOM 795 O LEU A 50 -11.491 4.675 2.102 1.00 0.00 O ATOM 796 CB LEU A 50 -8.332 4.479 1.388 1.00 0.00 C ATOM 797 CG LEU A 50 -8.367 5.491 2.541 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.291 4.764 3.876 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.214 6.472 2.393 1.00 0.00 C ATOM 0 H LEU A 50 -8.533 2.741 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.611 2.979 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.425 3.882 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.262 5.026 0.448 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.304 6.046 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.316 5.491 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.139 4.085 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.363 4.194 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.240 7.190 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.269 5.929 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.306 7.001 1.444 1.00 0.00 H new ATOM 811 N LYS A 51 -11.166 4.604 -0.124 1.00 0.00 N ATOM 812 CA LYS A 51 -12.370 5.364 -0.437 1.00 0.00 C ATOM 813 C LYS A 51 -13.506 4.445 -0.868 1.00 0.00 C ATOM 814 O LYS A 51 -14.470 4.886 -1.492 1.00 0.00 O ATOM 815 CB LYS A 51 -12.084 6.395 -1.530 1.00 0.00 C ATOM 816 CG LYS A 51 -11.121 7.500 -1.115 1.00 0.00 C ATOM 817 CD LYS A 51 -10.868 8.471 -2.259 1.00 0.00 C ATOM 818 CE LYS A 51 -9.938 9.598 -1.835 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.624 10.516 -2.963 1.00 0.00 N ATOM 0 H LYS A 51 -10.626 4.315 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.679 5.885 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.675 5.881 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.025 6.848 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.530 8.040 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.177 7.061 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.433 7.936 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.815 8.888 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.399 10.163 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.013 9.176 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.988 11.269 -2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.160 9.983 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.504 10.939 -3.322 1.00 0.00 H new ATOM 833 N ALA A 52 -13.385 3.166 -0.531 1.00 0.00 N ATOM 834 CA ALA A 52 -14.413 2.185 -0.862 1.00 0.00 C ATOM 835 C ALA A 52 -15.641 2.356 0.021 1.00 0.00 C ATOM 836 O ALA A 52 -16.446 3.212 -0.229 1.00 0.00 O ATOM 837 CB ALA A 52 -13.859 0.774 -0.737 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.806 1.636 0.967 1.00 0.00 O ATOM 0 H ALA A 52 -12.584 2.783 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.718 2.351 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.638 0.054 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.018 0.651 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.523 0.604 0.286 1.00 0.00 H new TER 844 ALA A 52