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+ -124:sc= 0.111 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 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+ -179:sc= 0.92 (180deg=0.918) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.0236 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= -0.0238 K(o=-0.024,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 152:sc= 0.345 USER MOD Single : A 43 ASN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.127) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0.828 (180deg=0.828) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.959 4.110 -3.182 1.00 0.00 N ATOM 2 CA GLY A 1 22.161 3.161 -2.415 1.00 0.00 C ATOM 3 C GLY A 1 20.779 2.981 -3.029 1.00 0.00 C ATOM 4 O GLY A 1 20.481 3.541 -4.085 1.00 0.00 O ATOM 0 H1 GLY A 1 23.849 3.659 -3.474 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.428 4.408 -4.025 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.169 4.942 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.673 2.199 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.063 3.511 -1.388 1.00 0.00 H new ATOM 10 N THR A 2 19.937 2.198 -2.362 1.00 0.00 N ATOM 11 CA THR A 2 18.583 1.947 -2.840 1.00 0.00 C ATOM 12 C THR A 2 17.546 2.393 -1.816 1.00 0.00 C ATOM 13 O THR A 2 16.557 1.701 -1.579 1.00 0.00 O ATOM 14 CB THR A 2 18.365 0.455 -3.160 1.00 0.00 C ATOM 15 OG1 THR A 2 18.674 -0.334 -2.005 1.00 0.00 O ATOM 16 CG2 THR A 2 19.250 0.023 -4.318 1.00 0.00 C ATOM 0 H THR A 2 20.169 1.726 -1.488 1.00 0.00 H new ATOM 0 HA THR A 2 18.459 2.528 -3.754 1.00 0.00 H new ATOM 0 HB THR A 2 17.322 0.307 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.533 -1.282 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 2 19.083 -1.033 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.007 0.613 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 2 20.296 0.179 -4.054 1.00 0.00 H new ATOM 24 N ILE A 3 17.780 3.553 -1.213 1.00 0.00 N ATOM 25 CA ILE A 3 16.862 4.099 -0.220 1.00 0.00 C ATOM 26 C ILE A 3 15.516 4.442 -0.846 1.00 0.00 C ATOM 27 O ILE A 3 14.546 4.717 -0.140 1.00 0.00 O ATOM 28 CB ILE A 3 17.440 5.357 0.452 1.00 0.00 C ATOM 29 CG1 ILE A 3 17.656 6.465 -0.581 1.00 0.00 C ATOM 30 CG2 ILE A 3 18.744 5.027 1.164 1.00 0.00 C ATOM 31 CD1 ILE A 3 18.041 7.796 0.022 1.00 0.00 C ATOM 0 H ILE A 3 18.598 4.134 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 3 16.722 3.327 0.537 1.00 0.00 H new ATOM 0 HB ILE A 3 16.724 5.714 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.435 6.153 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.742 6.591 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.140 5.927 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.561 4.270 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.467 4.647 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.177 8.530 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.253 8.132 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.972 7.688 0.579 1.00 0.00 H new ATOM 43 N ASP A 4 15.464 4.424 -2.173 1.00 0.00 N ATOM 44 CA ASP A 4 14.221 4.673 -2.894 1.00 0.00 C ATOM 45 C ASP A 4 13.241 3.521 -2.717 1.00 0.00 C ATOM 46 O ASP A 4 12.025 3.720 -2.730 1.00 0.00 O ATOM 47 CB ASP A 4 14.501 4.902 -4.382 1.00 0.00 C ATOM 48 CG ASP A 4 15.141 6.245 -4.702 1.00 0.00 C ATOM 49 OD1 ASP A 4 15.158 7.094 -3.842 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.744 6.360 -5.742 1.00 0.00 O ATOM 0 H ASP A 4 16.269 4.239 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 4 13.768 5.572 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.154 4.107 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.564 4.820 -4.932 1.00 0.00 H new ATOM 55 N GLU A 5 13.776 2.316 -2.553 1.00 0.00 N ATOM 56 CA GLU A 5 12.952 1.141 -2.296 1.00 0.00 C ATOM 57 C GLU A 5 12.704 0.956 -0.805 1.00 0.00 C ATOM 58 O GLU A 5 11.723 0.330 -0.401 1.00 0.00 O ATOM 59 CB GLU A 5 13.608 -0.111 -2.880 1.00 0.00 C ATOM 60 CG GLU A 5 13.767 -0.093 -4.393 1.00 0.00 C ATOM 61 CD GLU A 5 14.354 -1.382 -4.898 1.00 0.00 C ATOM 62 OE1 GLU A 5 14.602 -2.252 -4.098 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.450 -1.540 -6.092 1.00 0.00 O ATOM 0 H GLU A 5 14.778 2.127 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 5 11.990 1.296 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.591 -0.236 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.014 -0.981 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.797 0.075 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.408 0.739 -4.683 1.00 0.00 H new ATOM 70 N TRP A 6 13.597 1.505 0.011 1.00 0.00 N ATOM 71 CA TRP A 6 13.440 1.464 1.460 1.00 0.00 C ATOM 72 C TRP A 6 12.252 2.303 1.909 1.00 0.00 C ATOM 73 O TRP A 6 11.407 1.841 2.677 1.00 0.00 O ATOM 74 CB TRP A 6 14.717 1.948 2.149 1.00 0.00 C ATOM 75 CG TRP A 6 14.588 2.058 3.638 1.00 0.00 C ATOM 76 CD1 TRP A 6 14.675 3.197 4.382 1.00 0.00 C ATOM 77 CD2 TRP A 6 14.350 0.990 4.563 1.00 0.00 C ATOM 78 NE1 TRP A 6 14.506 2.907 5.713 1.00 0.00 N ATOM 79 CE2 TRP A 6 14.304 1.556 5.850 1.00 0.00 C ATOM 80 CE3 TRP A 6 14.169 -0.391 4.426 1.00 0.00 C ATOM 81 CZ2 TRP A 6 14.088 0.796 6.988 1.00 0.00 C ATOM 82 CZ3 TRP A 6 13.952 -1.153 5.568 1.00 0.00 C ATOM 83 CH2 TRP A 6 13.912 -0.577 6.812 1.00 0.00 C ATOM 0 H TRP A 6 14.439 1.985 -0.307 1.00 0.00 H new ATOM 0 HA TRP A 6 13.253 0.429 1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.530 1.262 1.912 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.993 2.921 1.743 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.851 4.185 3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 6 14.527 3.584 6.475 1.00 0.00 H new ATOM 0 HE3 TRP A 6 14.197 -0.856 3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 14.057 1.247 7.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.812 -2.220 5.474 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.740 -1.201 7.676 1.00 0.00 H new ATOM 94 N LEU A 7 12.193 3.541 1.428 1.00 0.00 N ATOM 95 CA LEU A 7 11.089 4.437 1.752 1.00 0.00 C ATOM 96 C LEU A 7 9.775 3.922 1.179 1.00 0.00 C ATOM 97 O LEU A 7 8.714 4.095 1.778 1.00 0.00 O ATOM 98 CB LEU A 7 11.382 5.849 1.232 1.00 0.00 C ATOM 99 CG LEU A 7 11.356 6.000 -0.296 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.948 6.342 -0.762 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.341 7.080 -0.716 1.00 0.00 C ATOM 0 H LEU A 7 12.898 3.947 0.812 1.00 0.00 H new ATOM 0 HA LEU A 7 10.990 4.473 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.653 6.536 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.363 6.157 1.595 1.00 0.00 H new ATOM 0 HG LEU A 7 11.649 5.059 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.939 6.447 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.264 5.545 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.631 7.279 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.323 7.187 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.062 8.027 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.345 6.801 -0.396 1.00 0.00 H new ATOM 113 N LEU A 8 9.853 3.288 0.012 1.00 0.00 N ATOM 114 CA LEU A 8 8.695 2.630 -0.580 1.00 0.00 C ATOM 115 C LEU A 8 8.233 1.456 0.274 1.00 0.00 C ATOM 116 O LEU A 8 7.036 1.263 0.486 1.00 0.00 O ATOM 117 CB LEU A 8 9.023 2.159 -2.002 1.00 0.00 C ATOM 118 CG LEU A 8 7.982 1.229 -2.638 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.614 1.897 -2.634 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.409 0.882 -4.057 1.00 0.00 C ATOM 0 H LEU A 8 10.707 3.217 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 8 7.881 3.353 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.142 3.035 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.984 1.645 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 8 7.914 0.309 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.882 1.229 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.319 2.116 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.661 2.825 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.669 0.221 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.488 1.795 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.377 0.381 -4.033 1.00 0.00 H new ATOM 132 N LYS A 9 9.190 0.673 0.762 1.00 0.00 N ATOM 133 CA LYS A 9 8.891 -0.419 1.682 1.00 0.00 C ATOM 134 C LYS A 9 8.131 0.082 2.903 1.00 0.00 C ATOM 135 O LYS A 9 7.212 -0.578 3.388 1.00 0.00 O ATOM 136 CB LYS A 9 10.179 -1.120 2.116 1.00 0.00 C ATOM 137 CG LYS A 9 9.963 -2.350 2.986 1.00 0.00 C ATOM 138 CD LYS A 9 11.254 -3.133 3.169 1.00 0.00 C ATOM 139 CE LYS A 9 11.857 -3.530 1.830 1.00 0.00 C ATOM 140 NZ LYS A 9 13.215 -4.120 1.984 1.00 0.00 N ATOM 0 H LYS A 9 10.179 0.774 0.536 1.00 0.00 H new ATOM 0 HA LYS A 9 8.258 -1.134 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.736 -1.413 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.799 -0.409 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.579 -2.046 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.208 -2.991 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.970 -2.531 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.058 -4.027 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.203 -4.249 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.913 -2.654 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.590 -4.377 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.847 -3.425 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.158 -4.971 2.580 1.00 0.00 H new ATOM 154 N GLU A 10 8.519 1.253 3.396 1.00 0.00 N ATOM 155 CA GLU A 10 7.814 1.891 4.502 1.00 0.00 C ATOM 156 C GLU A 10 6.472 2.449 4.051 1.00 0.00 C ATOM 157 O GLU A 10 5.499 2.441 4.806 1.00 0.00 O ATOM 158 CB GLU A 10 8.669 3.004 5.112 1.00 0.00 C ATOM 159 CG GLU A 10 9.918 2.515 5.832 1.00 0.00 C ATOM 160 CD GLU A 10 10.773 3.666 6.285 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.430 4.787 5.994 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.704 3.435 7.019 1.00 0.00 O ATOM 0 H GLU A 10 9.319 1.780 3.047 1.00 0.00 H new ATOM 0 HA GLU A 10 7.629 1.131 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.967 3.692 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.058 3.571 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.631 1.911 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.494 1.870 5.168 1.00 0.00 H new ATOM 169 N ALA A 11 6.423 2.935 2.814 1.00 0.00 N ATOM 170 CA ALA A 11 5.182 3.431 2.233 1.00 0.00 C ATOM 171 C ALA A 11 4.152 2.316 2.100 1.00 0.00 C ATOM 172 O ALA A 11 2.962 2.527 2.331 1.00 0.00 O ATOM 173 CB ALA A 11 5.450 4.074 0.880 1.00 0.00 C ATOM 0 H ALA A 11 7.231 2.995 2.194 1.00 0.00 H new ATOM 0 HA ALA A 11 4.773 4.186 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.513 4.439 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.142 4.907 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.887 3.336 0.207 1.00 0.00 H new ATOM 179 N LYS A 12 4.618 1.128 1.726 1.00 0.00 N ATOM 180 CA LYS A 12 3.737 -0.021 1.560 1.00 0.00 C ATOM 181 C LYS A 12 3.115 -0.435 2.887 1.00 0.00 C ATOM 182 O LYS A 12 1.929 -0.761 2.953 1.00 0.00 O ATOM 183 CB LYS A 12 4.502 -1.197 0.948 1.00 0.00 C ATOM 184 CG LYS A 12 4.898 -0.999 -0.509 1.00 0.00 C ATOM 185 CD LYS A 12 6.013 -1.952 -0.913 1.00 0.00 C ATOM 186 CE LYS A 12 6.339 -1.827 -2.394 1.00 0.00 C ATOM 187 NZ LYS A 12 7.370 -2.812 -2.822 1.00 0.00 N ATOM 0 H LYS A 12 5.601 0.937 1.532 1.00 0.00 H new ATOM 0 HA LYS A 12 2.933 0.270 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.403 -1.374 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.888 -2.094 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.030 -1.159 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.222 0.030 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.905 -1.742 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.717 -2.977 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.431 -1.975 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.693 -0.817 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.563 -2.693 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.245 -2.655 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.023 -3.776 -2.646 1.00 0.00 H new ATOM 201 N GLU A 13 3.922 -0.422 3.943 1.00 0.00 N ATOM 202 CA GLU A 13 3.439 -0.743 5.281 1.00 0.00 C ATOM 203 C GLU A 13 2.440 0.300 5.769 1.00 0.00 C ATOM 204 O GLU A 13 1.392 -0.040 6.318 1.00 0.00 O ATOM 205 CB GLU A 13 4.609 -0.850 6.261 1.00 0.00 C ATOM 206 CG GLU A 13 5.495 -2.069 6.049 1.00 0.00 C ATOM 207 CD GLU A 13 6.693 -2.037 6.957 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.855 -1.069 7.662 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.385 -3.025 7.029 1.00 0.00 O ATOM 0 H GLU A 13 4.915 -0.192 3.898 1.00 0.00 H new ATOM 0 HA GLU A 13 2.931 -1.706 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.221 0.048 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.215 -0.874 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.920 -2.976 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.824 -2.106 5.010 1.00 0.00 H new ATOM 216 N LYS A 14 2.772 1.570 5.568 1.00 0.00 N ATOM 217 CA LYS A 14 1.923 2.665 6.020 1.00 0.00 C ATOM 218 C LYS A 14 0.604 2.691 5.260 1.00 0.00 C ATOM 219 O LYS A 14 -0.437 3.046 5.814 1.00 0.00 O ATOM 220 CB LYS A 14 2.646 4.005 5.864 1.00 0.00 C ATOM 221 CG LYS A 14 3.737 4.255 6.897 1.00 0.00 C ATOM 222 CD LYS A 14 4.277 5.674 6.796 1.00 0.00 C ATOM 223 CE LYS A 14 3.159 6.701 6.901 1.00 0.00 C ATOM 224 NZ LYS A 14 2.685 6.866 8.302 1.00 0.00 N ATOM 0 H LYS A 14 3.625 1.867 5.094 1.00 0.00 H new ATOM 0 HA LYS A 14 1.705 2.501 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.087 4.052 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.913 4.809 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.340 4.085 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.549 3.543 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.006 5.845 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.801 5.799 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.511 7.660 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.325 6.395 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.924 7.574 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.325 5.957 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.474 7.183 8.901 1.00 0.00 H new ATOM 238 N ALA A 15 0.652 2.310 3.988 1.00 0.00 N ATOM 239 CA ALA A 15 -0.521 2.373 3.124 1.00 0.00 C ATOM 240 C ALA A 15 -1.596 1.396 3.583 1.00 0.00 C ATOM 241 O ALA A 15 -2.775 1.740 3.645 1.00 0.00 O ATOM 242 CB ALA A 15 -0.130 2.097 1.680 1.00 0.00 C ATOM 0 H ALA A 15 1.492 1.954 3.532 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.935 3.379 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.016 2.147 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.594 2.842 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.312 1.104 1.606 1.00 0.00 H new ATOM 248 N ILE A 16 -1.180 0.175 3.903 1.00 0.00 N ATOM 249 CA ILE A 16 -2.109 -0.860 4.340 1.00 0.00 C ATOM 250 C ILE A 16 -2.549 -0.633 5.780 1.00 0.00 C ATOM 251 O ILE A 16 -3.681 -0.944 6.150 1.00 0.00 O ATOM 252 CB ILE A 16 -1.489 -2.264 4.218 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.028 -2.521 2.781 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.484 -3.326 4.660 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.000 -2.033 1.732 1.00 0.00 C ATOM 0 H ILE A 16 -0.205 -0.122 3.868 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.978 -0.799 3.685 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.619 -2.317 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.065 -2.034 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.869 -3.591 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.029 -4.312 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.764 -3.152 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.373 -3.276 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.604 -2.250 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.957 -2.539 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.141 -0.957 1.839 1.00 0.00 H new ATOM 267 N GLU A 17 -1.648 -0.088 6.591 1.00 0.00 N ATOM 268 CA GLU A 17 -1.948 0.197 7.989 1.00 0.00 C ATOM 269 C GLU A 17 -3.216 1.033 8.120 1.00 0.00 C ATOM 270 O GLU A 17 -4.032 0.801 9.013 1.00 0.00 O ATOM 271 CB GLU A 17 -0.772 0.918 8.652 1.00 0.00 C ATOM 272 CG GLU A 17 -0.973 1.219 10.131 1.00 0.00 C ATOM 273 CD GLU A 17 0.258 1.838 10.734 1.00 0.00 C ATOM 274 OE1 GLU A 17 1.228 1.991 10.031 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.191 2.263 11.863 1.00 0.00 O ATOM 0 H GLU A 17 -0.703 0.165 6.303 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.112 -0.754 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.124 0.309 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.591 1.854 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.820 1.893 10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.217 0.299 10.662 1.00 0.00 H new ATOM 282 N GLU A 18 -3.375 2.003 7.227 1.00 0.00 N ATOM 283 CA GLU A 18 -4.586 2.812 7.183 1.00 0.00 C ATOM 284 C GLU A 18 -5.790 1.980 6.760 1.00 0.00 C ATOM 285 O GLU A 18 -6.893 2.159 7.276 1.00 0.00 O ATOM 286 CB GLU A 18 -4.406 3.996 6.231 1.00 0.00 C ATOM 287 CG GLU A 18 -3.352 5.002 6.672 1.00 0.00 C ATOM 288 CD GLU A 18 -3.676 5.576 8.023 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.770 6.060 8.195 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.875 5.433 8.916 1.00 0.00 O ATOM 0 H GLU A 18 -2.679 2.248 6.523 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.769 3.191 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.139 3.616 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.361 4.511 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.376 4.518 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.285 5.806 5.939 1.00 0.00 H new ATOM 297 N LEU A 19 -5.571 1.068 5.818 1.00 0.00 N ATOM 298 CA LEU A 19 -6.623 0.168 5.364 1.00 0.00 C ATOM 299 C LEU A 19 -7.067 -0.769 6.480 1.00 0.00 C ATOM 300 O LEU A 19 -8.241 -1.125 6.575 1.00 0.00 O ATOM 301 CB LEU A 19 -6.145 -0.637 4.149 1.00 0.00 C ATOM 302 CG LEU A 19 -6.425 0.010 2.786 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.158 1.507 2.854 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.553 -0.646 1.725 1.00 0.00 C ATOM 0 H LEU A 19 -4.673 0.933 5.354 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.482 0.772 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.071 -0.801 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.621 -1.617 4.173 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.472 -0.137 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.360 1.957 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.807 1.959 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.116 1.679 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.751 -0.187 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.503 -0.510 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.780 -1.711 1.675 1.00 0.00 H new ATOM 316 N LYS A 20 -6.119 -1.166 7.324 1.00 0.00 N ATOM 317 CA LYS A 20 -6.432 -1.939 8.519 1.00 0.00 C ATOM 318 C LYS A 20 -7.302 -1.139 9.480 1.00 0.00 C ATOM 319 O LYS A 20 -8.210 -1.681 10.110 1.00 0.00 O ATOM 320 CB LYS A 20 -5.149 -2.387 9.218 1.00 0.00 C ATOM 321 CG LYS A 20 -4.299 -3.359 8.411 1.00 0.00 C ATOM 322 CD LYS A 20 -3.123 -3.875 9.226 1.00 0.00 C ATOM 323 CE LYS A 20 -2.232 -4.789 8.397 1.00 0.00 C ATOM 324 NZ LYS A 20 -1.051 -5.264 9.168 1.00 0.00 N ATOM 0 H LYS A 20 -5.127 -0.964 7.201 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.991 -2.822 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.550 -1.506 9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.411 -2.854 10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.914 -4.198 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.932 -2.864 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.538 -3.033 9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.492 -4.416 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.811 -5.647 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.894 -4.257 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.470 -5.883 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.484 -4.447 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.372 -5.794 10.003 1.00 0.00 H new ATOM 338 N LYS A 21 -7.016 0.155 9.590 1.00 0.00 N ATOM 339 CA LYS A 21 -7.864 1.064 10.353 1.00 0.00 C ATOM 340 C LYS A 21 -9.243 1.193 9.721 1.00 0.00 C ATOM 341 O LYS A 21 -10.232 1.440 10.411 1.00 0.00 O ATOM 342 CB LYS A 21 -7.206 2.439 10.467 1.00 0.00 C ATOM 343 CG LYS A 21 -5.964 2.472 11.349 1.00 0.00 C ATOM 344 CD LYS A 21 -5.300 3.841 11.319 1.00 0.00 C ATOM 345 CE LYS A 21 -3.936 3.810 11.992 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.186 5.079 11.787 1.00 0.00 N ATOM 0 H LYS A 21 -6.203 0.597 9.160 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.987 0.646 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.937 2.783 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.936 3.146 10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.237 2.220 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.256 1.715 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.191 4.172 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.939 4.568 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.062 3.632 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.355 2.977 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.256 5.010 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.058 5.246 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.720 5.869 12.202 1.00 0.00 H new ATOM 360 N ALA A 22 -9.303 1.025 8.404 1.00 0.00 N ATOM 361 CA ALA A 22 -10.552 1.177 7.668 1.00 0.00 C ATOM 362 C ALA A 22 -11.388 -0.095 7.732 1.00 0.00 C ATOM 363 O ALA A 22 -12.539 -0.116 7.299 1.00 0.00 O ATOM 364 CB ALA A 22 -10.273 1.559 6.223 1.00 0.00 C ATOM 0 H ALA A 22 -8.500 0.783 7.824 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.124 1.977 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.216 1.669 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.728 2.502 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.675 0.780 5.750 1.00 0.00 H new ATOM 370 N GLY A 23 -10.800 -1.156 8.276 1.00 0.00 N ATOM 371 CA GLY A 23 -11.509 -2.417 8.455 1.00 0.00 C ATOM 372 C GLY A 23 -11.378 -3.303 7.223 1.00 0.00 C ATOM 373 O GLY A 23 -12.213 -4.175 6.982 1.00 0.00 O ATOM 0 H GLY A 23 -9.833 -1.167 8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.113 -2.940 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.562 -2.220 8.654 1.00 0.00 H new ATOM 377 N ILE A 24 -10.325 -3.075 6.446 1.00 0.00 N ATOM 378 CA ILE A 24 -10.075 -3.862 5.244 1.00 0.00 C ATOM 379 C ILE A 24 -9.247 -5.101 5.558 1.00 0.00 C ATOM 380 O ILE A 24 -8.217 -5.018 6.226 1.00 0.00 O ATOM 381 CB ILE A 24 -9.353 -3.033 4.167 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.153 -1.771 3.837 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.128 -3.867 2.915 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.527 -2.050 3.272 1.00 0.00 C ATOM 0 H ILE A 24 -9.630 -2.351 6.627 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.049 -4.168 4.861 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.381 -2.731 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.257 -1.171 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.590 -1.172 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.616 -3.265 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.517 -4.736 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.089 -4.199 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.033 -1.107 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.432 -2.623 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.109 -2.621 3.995 1.00 0.00 H new ATOM 396 N THR A 25 -9.706 -6.251 5.073 1.00 0.00 N ATOM 397 CA THR A 25 -9.057 -7.521 5.374 1.00 0.00 C ATOM 398 C THR A 25 -8.639 -8.242 4.101 1.00 0.00 C ATOM 399 O THR A 25 -8.153 -9.373 4.146 1.00 0.00 O ATOM 400 CB THR A 25 -9.977 -8.444 6.195 1.00 0.00 C ATOM 401 OG1 THR A 25 -11.184 -8.696 5.462 1.00 0.00 O ATOM 402 CG2 THR A 25 -10.324 -7.802 7.530 1.00 0.00 C ATOM 0 H THR A 25 -10.525 -6.329 4.470 1.00 0.00 H new ATOM 0 HA THR A 25 -8.170 -7.288 5.963 1.00 0.00 H new ATOM 0 HB THR A 25 -9.453 -9.382 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.767 -9.285 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.975 -8.469 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.410 -7.621 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.837 -6.856 7.356 1.00 0.00 H new ATOM 410 N SER A 26 -8.830 -7.583 2.963 1.00 0.00 N ATOM 411 CA SER A 26 -8.538 -8.186 1.668 1.00 0.00 C ATOM 412 C SER A 26 -7.037 -8.264 1.423 1.00 0.00 C ATOM 413 O SER A 26 -6.388 -7.252 1.155 1.00 0.00 O ATOM 414 CB SER A 26 -9.213 -7.400 0.562 1.00 0.00 C ATOM 415 OG SER A 26 -8.888 -7.893 -0.709 1.00 0.00 O ATOM 0 H SER A 26 -9.187 -6.629 2.912 1.00 0.00 H new ATOM 0 HA SER A 26 -8.930 -9.203 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.294 -7.437 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.919 -6.353 0.630 1.00 0.00 H new ATOM 0 HG SER A 26 -9.560 -7.595 -1.357 1.00 0.00 H new ATOM 421 N ASP A 27 -6.489 -9.471 1.516 1.00 0.00 N ATOM 422 CA ASP A 27 -5.074 -9.694 1.247 1.00 0.00 C ATOM 423 C ASP A 27 -4.766 -9.543 -0.237 1.00 0.00 C ATOM 424 O ASP A 27 -3.643 -9.212 -0.617 1.00 0.00 O ATOM 425 CB ASP A 27 -4.646 -11.081 1.734 1.00 0.00 C ATOM 426 CG ASP A 27 -4.550 -11.213 3.248 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.574 -10.206 3.915 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.612 -12.318 3.732 1.00 0.00 O ATOM 0 H ASP A 27 -7.005 -10.311 1.776 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.509 -8.938 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.356 -11.819 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.677 -11.323 1.298 1.00 0.00 H new ATOM 433 N TYR A 28 -5.769 -9.787 -1.073 1.00 0.00 N ATOM 434 CA TYR A 28 -5.613 -9.656 -2.517 1.00 0.00 C ATOM 435 C TYR A 28 -5.100 -8.272 -2.893 1.00 0.00 C ATOM 436 O TYR A 28 -4.068 -8.141 -3.551 1.00 0.00 O ATOM 437 CB TYR A 28 -6.941 -9.936 -3.226 1.00 0.00 C ATOM 438 CG TYR A 28 -6.896 -9.706 -4.721 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.360 -10.660 -5.572 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.395 -8.536 -5.274 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.317 -10.455 -6.938 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.358 -8.321 -6.639 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.818 -9.283 -7.468 1.00 0.00 C ATOM 444 OH TYR A 28 -6.780 -9.074 -8.827 1.00 0.00 O ATOM 0 H TYR A 28 -6.700 -10.077 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.876 -10.391 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.233 -10.969 -3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.714 -9.301 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.969 -11.579 -5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.819 -7.781 -4.628 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.894 -11.207 -7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.750 -7.404 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.173 -8.201 -9.035 1.00 0.00 H new ATOM 454 N TYR A 29 -5.827 -7.243 -2.473 1.00 0.00 N ATOM 455 CA TYR A 29 -5.475 -5.868 -2.807 1.00 0.00 C ATOM 456 C TYR A 29 -4.220 -5.425 -2.066 1.00 0.00 C ATOM 457 O TYR A 29 -3.473 -4.572 -2.545 1.00 0.00 O ATOM 458 CB TYR A 29 -6.636 -4.925 -2.486 1.00 0.00 C ATOM 459 CG TYR A 29 -7.826 -5.081 -3.406 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.724 -4.784 -4.757 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.048 -5.523 -2.922 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.807 -4.925 -5.602 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.138 -5.668 -3.757 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.013 -5.367 -5.099 1.00 0.00 C ATOM 465 OH TYR A 29 -11.096 -5.508 -5.936 1.00 0.00 O ATOM 0 H TYR A 29 -6.665 -7.335 -1.899 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.271 -5.827 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.958 -5.098 -1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.281 -3.896 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.782 -4.437 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.149 -5.758 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.710 -4.690 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.082 -6.015 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.866 -5.830 -5.423 1.00 0.00 H new ATOM 475 N PHE A 30 -3.993 -6.010 -0.894 1.00 0.00 N ATOM 476 CA PHE A 30 -2.773 -5.760 -0.137 1.00 0.00 C ATOM 477 C PHE A 30 -1.548 -6.273 -0.883 1.00 0.00 C ATOM 478 O PHE A 30 -0.446 -5.748 -0.721 1.00 0.00 O ATOM 479 CB PHE A 30 -2.859 -6.411 1.245 1.00 0.00 C ATOM 480 CG PHE A 30 -3.898 -5.799 2.139 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.727 -4.788 1.675 1.00 0.00 C ATOM 482 CD2 PHE A 30 -4.050 -6.231 3.449 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.682 -4.223 2.498 1.00 0.00 C ATOM 484 CE2 PHE A 30 -5.005 -5.668 4.273 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.821 -4.664 3.798 1.00 0.00 C ATOM 0 H PHE A 30 -4.639 -6.661 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.670 -4.682 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.077 -7.472 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.886 -6.339 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.625 -4.438 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.414 -7.017 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.320 -3.436 2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.112 -6.015 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.568 -4.223 4.442 1.00 0.00 H new ATOM 495 N ASP A 31 -1.746 -7.303 -1.699 1.00 0.00 N ATOM 496 CA ASP A 31 -0.679 -7.829 -2.541 1.00 0.00 C ATOM 497 C ASP A 31 -0.324 -6.853 -3.656 1.00 0.00 C ATOM 498 O ASP A 31 0.831 -6.767 -4.073 1.00 0.00 O ATOM 499 CB ASP A 31 -1.082 -9.181 -3.135 1.00 0.00 C ATOM 500 CG ASP A 31 -1.051 -10.339 -2.146 1.00 0.00 C ATOM 501 OD1 ASP A 31 -0.499 -10.171 -1.085 1.00 0.00 O ATOM 502 OD2 ASP A 31 -1.709 -11.321 -2.391 1.00 0.00 O ATOM 0 H ASP A 31 -2.637 -7.790 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 31 0.202 -7.966 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.088 -9.098 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.416 -9.412 -3.966 1.00 0.00 H new ATOM 507 N LEU A 32 -1.323 -6.120 -4.134 1.00 0.00 N ATOM 508 CA LEU A 32 -1.171 -5.308 -5.335 1.00 0.00 C ATOM 509 C LEU A 32 -0.132 -4.212 -5.132 1.00 0.00 C ATOM 510 O LEU A 32 0.598 -3.857 -6.056 1.00 0.00 O ATOM 511 CB LEU A 32 -2.519 -4.697 -5.737 1.00 0.00 C ATOM 512 CG LEU A 32 -3.281 -5.459 -6.829 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.652 -6.851 -6.333 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.527 -4.677 -7.219 1.00 0.00 C ATOM 0 H LEU A 32 -2.248 -6.072 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.822 -5.956 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.151 -4.635 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.350 -3.676 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.645 -5.568 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.193 -7.384 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.745 -7.401 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.284 -6.766 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.068 -5.218 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.169 -4.556 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.238 -3.696 -7.596 1.00 0.00 H new ATOM 526 N ILE A 33 -0.071 -3.680 -3.916 1.00 0.00 N ATOM 527 CA ILE A 33 0.869 -2.614 -3.593 1.00 0.00 C ATOM 528 C ILE A 33 2.305 -3.122 -3.610 1.00 0.00 C ATOM 529 O ILE A 33 3.249 -2.341 -3.727 1.00 0.00 O ATOM 530 CB ILE A 33 0.570 -1.996 -2.215 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.651 -3.064 -1.121 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.799 -1.333 -2.215 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.152 -2.542 0.206 1.00 0.00 C ATOM 0 H ILE A 33 -0.662 -3.970 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 33 0.749 -1.847 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 33 1.321 -1.233 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.337 -3.501 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.309 -3.866 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.994 -0.901 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.822 -0.546 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.563 -2.076 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.182 -3.357 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.154 -2.131 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.482 -1.761 0.566 1.00 0.00 H new ATOM 545 N ASN A 34 2.464 -4.436 -3.492 1.00 0.00 N ATOM 546 CA ASN A 34 3.783 -5.056 -3.535 1.00 0.00 C ATOM 547 C ASN A 34 4.326 -5.095 -4.957 1.00 0.00 C ATOM 548 O ASN A 34 5.529 -4.945 -5.177 1.00 0.00 O ATOM 549 CB ASN A 34 3.759 -6.453 -2.944 1.00 0.00 C ATOM 550 CG ASN A 34 3.586 -6.475 -1.450 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.970 -5.534 -0.746 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.084 -7.579 -0.956 1.00 0.00 N ATOM 0 H ASN A 34 1.694 -5.093 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 34 4.448 -4.441 -2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.948 -7.018 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.688 -6.963 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.995 -7.692 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.782 -8.326 -1.581 1.00 0.00 H new ATOM 559 N LYS A 35 3.435 -5.298 -5.921 1.00 0.00 N ATOM 560 CA LYS A 35 3.769 -5.103 -7.327 1.00 0.00 C ATOM 561 C LYS A 35 4.050 -3.637 -7.628 1.00 0.00 C ATOM 562 O LYS A 35 4.782 -3.315 -8.565 1.00 0.00 O ATOM 563 CB LYS A 35 2.639 -5.616 -8.221 1.00 0.00 C ATOM 564 CG LYS A 35 2.939 -5.549 -9.714 1.00 0.00 C ATOM 565 CD LYS A 35 1.817 -6.170 -10.531 1.00 0.00 C ATOM 566 CE LYS A 35 2.114 -6.103 -12.022 1.00 0.00 C ATOM 567 NZ LYS A 35 1.021 -6.700 -12.836 1.00 0.00 N ATOM 0 H LYS A 35 2.474 -5.598 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 35 4.674 -5.673 -7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.420 -6.650 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.739 -5.036 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.078 -4.510 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.874 -6.068 -9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.679 -7.209 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.882 -5.651 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.259 -5.064 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.048 -6.626 -12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.264 -6.634 -13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.899 -7.699 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.135 -6.185 -12.658 1.00 0.00 H new ATOM 581 N ALA A 36 3.466 -2.751 -6.829 1.00 0.00 N ATOM 582 CA ALA A 36 3.545 -1.318 -7.086 1.00 0.00 C ATOM 583 C ALA A 36 4.934 -0.777 -6.773 1.00 0.00 C ATOM 584 O ALA A 36 5.126 -0.064 -5.789 1.00 0.00 O ATOM 585 CB ALA A 36 2.490 -0.576 -6.279 1.00 0.00 C ATOM 0 H ALA A 36 2.932 -3.001 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 36 3.354 -1.155 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.562 0.493 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.499 -0.933 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.652 -0.755 -5.216 1.00 0.00 H new ATOM 591 N LYS A 37 5.901 -1.121 -7.617 1.00 0.00 N ATOM 592 CA LYS A 37 7.290 -0.740 -7.387 1.00 0.00 C ATOM 593 C LYS A 37 7.452 0.775 -7.388 1.00 0.00 C ATOM 594 O LYS A 37 8.541 1.292 -7.139 1.00 0.00 O ATOM 595 CB LYS A 37 8.200 -1.366 -8.446 1.00 0.00 C ATOM 596 CG LYS A 37 9.687 -1.269 -8.134 1.00 0.00 C ATOM 597 CD LYS A 37 10.516 -2.044 -9.146 1.00 0.00 C ATOM 598 CE LYS A 37 11.987 -2.069 -8.756 1.00 0.00 C ATOM 599 NZ LYS A 37 12.799 -2.887 -9.697 1.00 0.00 N ATOM 0 H LYS A 37 5.748 -1.663 -8.467 1.00 0.00 H new ATOM 0 HA LYS A 37 7.580 -1.114 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.933 -2.416 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.010 -0.881 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.993 -0.223 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.877 -1.656 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.141 -3.065 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.407 -1.591 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.374 -1.050 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.088 -2.470 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.794 -2.878 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.447 -3.866 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.724 -2.490 -10.655 1.00 0.00 H new ATOM 613 N THR A 38 6.362 1.482 -7.668 1.00 0.00 N ATOM 614 CA THR A 38 6.321 2.928 -7.493 1.00 0.00 C ATOM 615 C THR A 38 5.555 3.309 -6.232 1.00 0.00 C ATOM 616 O THR A 38 4.642 2.600 -5.812 1.00 0.00 O ATOM 617 CB THR A 38 5.674 3.626 -8.704 1.00 0.00 C ATOM 618 OG1 THR A 38 4.283 3.282 -8.770 1.00 0.00 O ATOM 619 CG2 THR A 38 6.359 3.200 -9.994 1.00 0.00 C ATOM 0 H THR A 38 5.494 1.075 -8.018 1.00 0.00 H new ATOM 0 HA THR A 38 7.355 3.262 -7.402 1.00 0.00 H new ATOM 0 HB THR A 38 5.784 4.704 -8.585 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.787 4.008 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.889 3.703 -10.839 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.414 3.470 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.266 2.121 -10.116 1.00 0.00 H new ATOM 627 N VAL A 39 5.935 4.433 -5.633 1.00 0.00 N ATOM 628 CA VAL A 39 5.220 4.964 -4.478 1.00 0.00 C ATOM 629 C VAL A 39 3.822 5.430 -4.862 1.00 0.00 C ATOM 630 O VAL A 39 2.871 5.264 -4.098 1.00 0.00 O ATOM 631 CB VAL A 39 5.983 6.136 -3.832 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.138 6.787 -2.747 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.308 5.658 -3.258 1.00 0.00 C ATOM 0 H VAL A 39 6.734 4.994 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 39 5.142 4.151 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 39 6.189 6.879 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.692 7.613 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.213 7.164 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.903 6.051 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.833 6.499 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.123 4.896 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.919 5.235 -4.056 1.00 0.00 H new ATOM 643 N GLU A 40 3.703 6.015 -6.048 1.00 0.00 N ATOM 644 CA GLU A 40 2.420 6.506 -6.536 1.00 0.00 C ATOM 645 C GLU A 40 1.432 5.363 -6.735 1.00 0.00 C ATOM 646 O GLU A 40 0.236 5.514 -6.487 1.00 0.00 O ATOM 647 CB GLU A 40 2.604 7.276 -7.845 1.00 0.00 C ATOM 648 CG GLU A 40 3.311 8.616 -7.693 1.00 0.00 C ATOM 649 CD GLU A 40 3.553 9.262 -9.028 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.241 8.655 -10.025 1.00 0.00 O ATOM 651 OE2 GLU A 40 3.944 10.405 -9.051 1.00 0.00 O ATOM 0 H GLU A 40 4.481 6.161 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 40 2.013 7.181 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.171 6.657 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.625 7.444 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.709 9.278 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.261 8.472 -7.179 1.00 0.00 H new ATOM 658 N GLY A 41 1.941 4.221 -7.185 1.00 0.00 N ATOM 659 CA GLY A 41 1.118 3.028 -7.346 1.00 0.00 C ATOM 660 C GLY A 41 0.521 2.586 -6.016 1.00 0.00 C ATOM 661 O GLY A 41 -0.679 2.329 -5.919 1.00 0.00 O ATOM 0 H GLY A 41 2.920 4.096 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.317 3.229 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.721 2.221 -7.763 1.00 0.00 H new ATOM 665 N VAL A 42 1.364 2.502 -4.993 1.00 0.00 N ATOM 666 CA VAL A 42 0.940 2.013 -3.687 1.00 0.00 C ATOM 667 C VAL A 42 -0.152 2.896 -3.096 1.00 0.00 C ATOM 668 O VAL A 42 -1.130 2.400 -2.535 1.00 0.00 O ATOM 669 CB VAL A 42 2.118 1.941 -2.699 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.622 1.606 -1.300 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.139 0.911 -3.161 1.00 0.00 C ATOM 0 H VAL A 42 2.348 2.767 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 42 0.547 1.008 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 42 2.601 2.918 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.469 1.559 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.927 2.377 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.114 0.642 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.965 0.873 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.666 -0.069 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.518 1.190 -4.144 1.00 0.00 H new ATOM 681 N ASN A 43 0.021 4.207 -3.226 1.00 0.00 N ATOM 682 CA ASN A 43 -0.970 5.162 -2.740 1.00 0.00 C ATOM 683 C ASN A 43 -2.233 5.124 -3.589 1.00 0.00 C ATOM 684 O ASN A 43 -3.345 5.204 -3.068 1.00 0.00 O ATOM 685 CB ASN A 43 -0.407 6.571 -2.698 1.00 0.00 C ATOM 686 CG ASN A 43 -1.331 7.572 -2.063 1.00 0.00 C ATOM 687 OD1 ASN A 43 -1.665 7.475 -0.876 1.00 0.00 O ATOM 688 ND2 ASN A 43 -1.811 8.486 -2.867 1.00 0.00 N ATOM 0 H ASN A 43 0.838 4.633 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.230 4.869 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.535 6.560 -2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.180 6.893 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.493 9.161 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.503 8.523 -3.839 1.00 0.00 H new ATOM 695 N ALA A 44 -2.057 5.002 -4.900 1.00 0.00 N ATOM 696 CA ALA A 44 -3.183 4.970 -5.825 1.00 0.00 C ATOM 697 C ALA A 44 -4.054 3.743 -5.591 1.00 0.00 C ATOM 698 O ALA A 44 -5.281 3.838 -5.559 1.00 0.00 O ATOM 699 CB ALA A 44 -2.688 5.006 -7.264 1.00 0.00 C ATOM 0 H ALA A 44 -1.143 4.924 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.794 5.854 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.541 4.981 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.118 5.920 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.050 4.142 -7.451 1.00 0.00 H new ATOM 705 N LEU A 45 -3.412 2.591 -5.428 1.00 0.00 N ATOM 706 CA LEU A 45 -4.129 1.339 -5.211 1.00 0.00 C ATOM 707 C LEU A 45 -4.978 1.403 -3.948 1.00 0.00 C ATOM 708 O LEU A 45 -6.192 1.206 -3.995 1.00 0.00 O ATOM 709 CB LEU A 45 -3.140 0.170 -5.131 1.00 0.00 C ATOM 710 CG LEU A 45 -2.313 -0.074 -6.399 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.941 -0.623 -6.031 1.00 0.00 C ATOM 712 CD2 LEU A 45 -3.054 -1.042 -7.311 1.00 0.00 C ATOM 0 H LEU A 45 -2.396 2.498 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.798 1.180 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.457 0.349 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.695 -0.739 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.172 0.869 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.362 -0.793 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.420 0.094 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.058 -1.564 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.466 -1.215 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.207 -1.987 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.020 -0.617 -7.584 1.00 0.00 H new ATOM 724 N LYS A 46 -4.332 1.679 -2.820 1.00 0.00 N ATOM 725 CA LYS A 46 -5.026 1.757 -1.540 1.00 0.00 C ATOM 726 C LYS A 46 -6.142 2.794 -1.580 1.00 0.00 C ATOM 727 O LYS A 46 -7.156 2.655 -0.897 1.00 0.00 O ATOM 728 CB LYS A 46 -4.043 2.088 -0.417 1.00 0.00 C ATOM 729 CG LYS A 46 -3.491 3.507 -0.460 1.00 0.00 C ATOM 730 CD LYS A 46 -3.072 3.981 0.923 1.00 0.00 C ATOM 731 CE LYS A 46 -4.249 4.569 1.687 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.815 5.257 2.933 1.00 0.00 N ATOM 0 H LYS A 46 -3.328 1.852 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.473 0.782 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.540 1.934 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.210 1.386 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.636 3.546 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.246 4.181 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.652 3.146 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.286 4.730 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.780 5.275 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.952 3.775 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.637 5.403 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.110 4.672 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.394 6.177 2.693 1.00 0.00 H new ATOM 746 N ASP A 47 -5.949 3.832 -2.387 1.00 0.00 N ATOM 747 CA ASP A 47 -6.857 4.973 -2.396 1.00 0.00 C ATOM 748 C ASP A 47 -8.297 4.529 -2.614 1.00 0.00 C ATOM 749 O ASP A 47 -9.208 4.980 -1.919 1.00 0.00 O ATOM 750 CB ASP A 47 -6.446 5.976 -3.477 1.00 0.00 C ATOM 751 CG ASP A 47 -7.218 7.287 -3.444 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.139 7.977 -2.453 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.751 7.666 -4.460 1.00 0.00 O ATOM 0 H ASP A 47 -5.172 3.907 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.794 5.457 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.383 6.192 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.581 5.514 -4.455 1.00 0.00 H new ATOM 758 N GLU A 48 -8.497 3.643 -3.584 1.00 0.00 N ATOM 759 CA GLU A 48 -9.821 3.099 -3.863 1.00 0.00 C ATOM 760 C GLU A 48 -10.280 2.167 -2.749 1.00 0.00 C ATOM 761 O GLU A 48 -11.464 2.119 -2.416 1.00 0.00 O ATOM 762 CB GLU A 48 -9.824 2.360 -5.203 1.00 0.00 C ATOM 763 CG GLU A 48 -9.695 3.264 -6.421 1.00 0.00 C ATOM 764 CD GLU A 48 -10.799 4.284 -6.463 1.00 0.00 C ATOM 765 OE1 GLU A 48 -11.941 3.899 -6.390 1.00 0.00 O ATOM 766 OE2 GLU A 48 -10.499 5.455 -6.456 1.00 0.00 O ATOM 0 H GLU A 48 -7.759 3.286 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.520 3.934 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.004 1.642 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.748 1.788 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.730 3.770 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.719 2.661 -7.329 1.00 0.00 H new ATOM 773 N ILE A 49 -9.336 1.427 -2.178 1.00 0.00 N ATOM 774 CA ILE A 49 -9.639 0.506 -1.089 1.00 0.00 C ATOM 775 C ILE A 49 -9.973 1.259 0.193 1.00 0.00 C ATOM 776 O ILE A 49 -10.834 0.838 0.965 1.00 0.00 O ATOM 777 CB ILE A 49 -8.468 -0.455 -0.819 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.174 -1.302 -2.059 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.773 -1.344 0.377 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.326 -2.187 -2.480 1.00 0.00 C ATOM 0 H ILE A 49 -8.354 1.447 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.507 -0.074 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.582 0.136 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.915 -0.641 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.302 -1.925 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.934 -2.017 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.933 -0.724 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.671 -1.928 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.043 -2.757 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.572 -2.874 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.195 -1.569 -2.709 1.00 0.00 H new ATOM 792 N LEU A 50 -9.286 2.375 0.414 1.00 0.00 N ATOM 793 CA LEU A 50 -9.532 3.206 1.585 1.00 0.00 C ATOM 794 C LEU A 50 -10.931 3.810 1.549 1.00 0.00 C ATOM 795 O LEU A 50 -11.560 4.003 2.589 1.00 0.00 O ATOM 796 CB LEU A 50 -8.475 4.314 1.680 1.00 0.00 C ATOM 797 CG LEU A 50 -8.575 5.206 2.923 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.319 4.384 4.178 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.573 6.347 2.812 1.00 0.00 C ATOM 0 H LEU A 50 -8.554 2.724 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.463 2.573 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.487 3.854 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.551 4.944 0.793 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.579 5.625 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.392 5.027 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.060 3.588 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.321 3.948 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.644 6.981 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.565 5.940 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.792 6.938 1.923 1.00 0.00 H new ATOM 811 N LYS A 51 -11.410 4.105 0.346 1.00 0.00 N ATOM 812 CA LYS A 51 -12.758 4.633 0.168 1.00 0.00 C ATOM 813 C LYS A 51 -13.809 3.612 0.582 1.00 0.00 C ATOM 814 O LYS A 51 -14.918 3.972 0.976 1.00 0.00 O ATOM 815 CB LYS A 51 -12.980 5.055 -1.286 1.00 0.00 C ATOM 816 CG LYS A 51 -12.181 6.279 -1.714 1.00 0.00 C ATOM 817 CD LYS A 51 -12.312 6.530 -3.209 1.00 0.00 C ATOM 818 CE LYS A 51 -11.434 7.689 -3.655 1.00 0.00 C ATOM 819 NZ LYS A 51 -11.478 7.886 -5.130 1.00 0.00 N ATOM 0 H LYS A 51 -10.885 3.988 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.861 5.507 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.721 4.221 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.041 5.258 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.529 7.154 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.131 6.138 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.034 5.629 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.352 6.744 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.759 8.603 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.406 7.505 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.866 8.685 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.144 7.024 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.455 8.087 -5.424 1.00 0.00 H new ATOM 833 N ALA A 52 -13.454 2.335 0.492 1.00 0.00 N ATOM 834 CA ALA A 52 -14.374 1.258 0.837 1.00 0.00 C ATOM 835 C ALA A 52 -14.564 1.157 2.345 1.00 0.00 C ATOM 836 O ALA A 52 -15.312 1.908 2.906 1.00 0.00 O ATOM 837 CB ALA A 52 -13.876 -0.066 0.273 1.00 0.00 C ATOM 838 OXT ALA A 52 -13.967 0.326 2.970 1.00 0.00 O ATOM 0 H ALA A 52 -12.534 2.020 0.183 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.342 1.487 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.574 -0.860 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.804 0.005 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.894 -0.292 0.688 1.00 0.00 H new TER 844 ALA A 52