USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 0.599 K(o=1.5,f=-3.8!) USER MOD Set 1.2: A 58 THR OG1 : rot 107:sc= 0.878 USER MOD Set 1.3: A 68 THR OG1 : rot 180:sc= 0.0659 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -175:sc= 2.22 (180deg=1.18) USER MOD Set 2.2: A 25 THR OG1 : rot 72:sc= 2.27 USER MOD Set 2.3: A 31 TYR OH : rot -159:sc= 0.395! USER MOD Set 3.1: A 27 ASN : amide:sc= 0.358 K(o=2.8,f=-6!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 172:sc= 2.43 (180deg=1.16) USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.24 USER MOD Single : A 9 TYR OH : rot -101:sc= 0.194 USER MOD Single : A 10 THR OG1 : rot 150:sc= -0.493 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 12 SER OG : rot 56:sc= 0.579 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.39) USER MOD Single : A 39 ASN : amide:sc= -0.767 K(o=-0.77,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0231) USER MOD Single : A 65 SER OG : rot 105:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 24:sc= 0.103 USER MOD Single : A 69 ASN : amide:sc= -0.289 K(o=-0.29,f=-3.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -117:sc= 0.817 (180deg=-0.188) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.188 3.896 6.338 1.00 0.00 N ATOM 61 CA ALA A 5 6.439 4.658 5.125 1.00 0.00 C ATOM 62 C ALA A 5 5.530 4.195 4.002 1.00 0.00 C ATOM 63 O ALA A 5 5.596 4.698 2.873 1.00 0.00 O ATOM 64 CB ALA A 5 7.901 4.526 4.717 1.00 0.00 C ATOM 0 HA ALA A 5 6.224 5.708 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.078 5.100 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.537 4.906 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.135 3.477 4.535 1.00 0.00 H new ATOM 70 N LEU A 6 4.690 3.241 4.309 1.00 0.00 N ATOM 71 CA LEU A 6 3.791 2.705 3.348 1.00 0.00 C ATOM 72 C LEU A 6 2.406 2.715 3.945 1.00 0.00 C ATOM 73 O LEU A 6 2.236 2.384 5.113 1.00 0.00 O ATOM 74 CB LEU A 6 4.187 1.272 3.011 1.00 0.00 C ATOM 75 CG LEU A 6 3.638 0.728 1.728 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.260 1.470 0.578 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.902 -0.756 1.615 1.00 0.00 C ATOM 0 H LEU A 6 4.618 2.821 5.236 1.00 0.00 H new ATOM 0 HA LEU A 6 3.819 3.301 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.275 1.216 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.864 0.625 3.826 1.00 0.00 H new ATOM 0 HG LEU A 6 2.557 0.869 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.867 1.081 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.023 2.531 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.342 1.337 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.494 -1.128 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.976 -0.937 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.426 -1.275 2.447 1.00 0.00 H new ATOM 89 N THR A 7 1.449 3.106 3.183 1.00 0.00 N ATOM 90 CA THR A 7 0.092 3.128 3.626 1.00 0.00 C ATOM 91 C THR A 7 -0.759 2.283 2.679 1.00 0.00 C ATOM 92 O THR A 7 -0.782 2.518 1.478 1.00 0.00 O ATOM 93 CB THR A 7 -0.402 4.584 3.677 1.00 0.00 C ATOM 94 OG1 THR A 7 0.463 5.331 4.559 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.816 4.670 4.202 1.00 0.00 C ATOM 0 H THR A 7 1.582 3.424 2.223 1.00 0.00 H new ATOM 0 HA THR A 7 0.011 2.706 4.628 1.00 0.00 H new ATOM 0 HB THR A 7 -0.385 4.991 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.327 5.031 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.133 5.713 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.481 4.103 3.551 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.856 4.257 5.210 1.00 0.00 H new ATOM 103 N ILE A 8 -1.420 1.293 3.211 1.00 0.00 N ATOM 104 CA ILE A 8 -2.217 0.392 2.417 1.00 0.00 C ATOM 105 C ILE A 8 -3.683 0.583 2.725 1.00 0.00 C ATOM 106 O ILE A 8 -4.086 0.685 3.887 1.00 0.00 O ATOM 107 CB ILE A 8 -1.818 -1.097 2.659 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.372 -1.333 2.232 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.763 -2.063 1.933 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.102 -2.748 2.438 1.00 0.00 C ATOM 0 H ILE A 8 -1.423 1.085 4.210 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.030 0.625 1.369 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.907 -1.297 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.268 -1.075 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.276 -0.658 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.452 -3.090 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.781 -1.918 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.728 -1.869 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.138 -2.836 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.032 -3.005 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.521 -3.428 1.857 1.00 0.00 H new ATOM 122 N TYR A 9 -4.468 0.666 1.701 1.00 0.00 N ATOM 123 CA TYR A 9 -5.878 0.779 1.863 1.00 0.00 C ATOM 124 C TYR A 9 -6.502 -0.596 1.947 1.00 0.00 C ATOM 125 O TYR A 9 -6.197 -1.478 1.142 1.00 0.00 O ATOM 126 CB TYR A 9 -6.485 1.639 0.762 1.00 0.00 C ATOM 127 CG TYR A 9 -6.027 3.085 0.832 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.698 3.993 1.625 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.920 3.536 0.120 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.291 5.306 1.714 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.504 4.849 0.203 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.196 5.728 1.004 1.00 0.00 C ATOM 133 OH TYR A 9 -4.793 7.036 1.092 1.00 0.00 O ATOM 0 H TYR A 9 -4.150 0.657 0.732 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.093 1.289 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.216 1.223 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.572 1.602 0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.560 3.668 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.377 2.846 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.832 6.000 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.643 5.184 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.102 7.527 0.302 1.00 0.00 H new ATOM 143 N THR A 10 -7.310 -0.797 2.960 1.00 0.00 N ATOM 144 CA THR A 10 -7.954 -2.055 3.194 1.00 0.00 C ATOM 145 C THR A 10 -9.429 -1.851 3.512 1.00 0.00 C ATOM 146 O THR A 10 -9.876 -0.722 3.746 1.00 0.00 O ATOM 147 CB THR A 10 -7.265 -2.822 4.340 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.032 -1.940 5.453 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.951 -3.435 3.884 1.00 0.00 C ATOM 0 H THR A 10 -7.538 -0.080 3.649 1.00 0.00 H new ATOM 0 HA THR A 10 -7.871 -2.649 2.284 1.00 0.00 H new ATOM 0 HB THR A 10 -7.928 -3.631 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.061 -2.452 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.491 -3.969 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.138 -4.130 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.280 -2.646 3.543 1.00 0.00 H new ATOM 157 N THR A 11 -10.187 -2.915 3.468 1.00 0.00 N ATOM 158 CA THR A 11 -11.591 -2.888 3.761 1.00 0.00 C ATOM 159 C THR A 11 -11.941 -4.256 4.339 1.00 0.00 C ATOM 160 O THR A 11 -11.330 -5.246 3.924 1.00 0.00 O ATOM 161 CB THR A 11 -12.414 -2.681 2.458 1.00 0.00 C ATOM 162 OG1 THR A 11 -11.835 -1.626 1.669 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.828 -2.274 2.796 1.00 0.00 C ATOM 0 H THR A 11 -9.837 -3.841 3.223 1.00 0.00 H new ATOM 0 HA THR A 11 -11.820 -2.075 4.450 1.00 0.00 H new ATOM 0 HB THR A 11 -12.409 -3.620 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.359 -1.504 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.395 -2.132 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.298 -3.054 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.813 -1.342 3.361 1.00 0.00 H new ATOM 171 N SER A 12 -12.855 -4.310 5.306 1.00 0.00 N ATOM 172 CA SER A 12 -13.307 -5.578 5.873 1.00 0.00 C ATOM 173 C SER A 12 -13.818 -6.513 4.778 1.00 0.00 C ATOM 174 O SER A 12 -13.486 -7.699 4.758 1.00 0.00 O ATOM 175 CB SER A 12 -14.389 -5.332 6.926 1.00 0.00 C ATOM 176 OG SER A 12 -13.898 -4.473 7.954 1.00 0.00 O ATOM 0 H SER A 12 -13.298 -3.487 5.714 1.00 0.00 H new ATOM 0 HA SER A 12 -12.458 -6.061 6.356 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.266 -4.885 6.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.707 -6.281 7.358 1.00 0.00 H new ATOM 0 HG SER A 12 -13.576 -3.637 7.556 1.00 0.00 H new ATOM 182 N TRP A 13 -14.607 -5.982 3.857 1.00 0.00 N ATOM 183 CA TRP A 13 -15.038 -6.772 2.751 1.00 0.00 C ATOM 184 C TRP A 13 -13.995 -6.700 1.637 1.00 0.00 C ATOM 185 O TRP A 13 -13.959 -5.761 0.828 1.00 0.00 O ATOM 186 CB TRP A 13 -16.490 -6.453 2.300 1.00 0.00 C ATOM 187 CG TRP A 13 -16.746 -5.092 1.734 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.783 -4.780 0.419 1.00 0.00 C ATOM 189 CD2 TRP A 13 -17.027 -3.874 2.444 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.028 -3.461 0.256 1.00 0.00 N ATOM 191 CE2 TRP A 13 -17.195 -2.873 1.475 1.00 0.00 C ATOM 192 CE3 TRP A 13 -17.143 -3.530 3.792 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.473 -1.550 1.805 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.422 -2.214 4.120 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.585 -1.242 3.131 1.00 0.00 C ATOM 0 H TRP A 13 -14.949 -5.021 3.865 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.103 -7.814 3.066 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.781 -7.190 1.552 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -17.148 -6.592 3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.637 -5.485 -0.386 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.080 -2.979 -0.641 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -17.018 -4.275 4.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.596 -0.796 1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.515 -1.935 5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.804 -0.225 3.421 1.00 0.00 H new ATOM 206 N CYS A 14 -13.057 -7.610 1.708 1.00 0.00 N ATOM 207 CA CYS A 14 -11.985 -7.696 0.768 1.00 0.00 C ATOM 208 C CYS A 14 -11.331 -9.058 0.886 1.00 0.00 C ATOM 209 O CYS A 14 -11.415 -9.699 1.937 1.00 0.00 O ATOM 210 CB CYS A 14 -10.958 -6.596 1.040 1.00 0.00 C ATOM 211 SG CYS A 14 -9.524 -6.626 -0.067 1.00 0.00 S ATOM 0 H CYS A 14 -13.023 -8.322 2.437 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.374 -7.564 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.449 -5.627 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.610 -6.686 2.069 1.00 0.00 H new ATOM 216 N GLY A 15 -10.712 -9.500 -0.182 1.00 0.00 N ATOM 217 CA GLY A 15 -10.010 -10.751 -0.173 1.00 0.00 C ATOM 218 C GLY A 15 -8.667 -10.624 -0.856 1.00 0.00 C ATOM 219 O GLY A 15 -7.643 -11.068 -0.328 1.00 0.00 O ATOM 0 H GLY A 15 -10.683 -9.004 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.869 -11.086 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.608 -11.511 -0.676 1.00 0.00 H new ATOM 223 N TYR A 16 -8.659 -9.960 -2.005 1.00 0.00 N ATOM 224 CA TYR A 16 -7.461 -9.804 -2.830 1.00 0.00 C ATOM 225 C TYR A 16 -6.376 -9.000 -2.096 1.00 0.00 C ATOM 226 O TYR A 16 -5.184 -9.282 -2.225 1.00 0.00 O ATOM 227 CB TYR A 16 -7.840 -9.142 -4.176 1.00 0.00 C ATOM 228 CG TYR A 16 -6.721 -9.064 -5.198 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.205 -10.214 -5.767 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.181 -7.848 -5.590 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.186 -10.162 -6.696 1.00 0.00 C ATOM 232 CE2 TYR A 16 -5.157 -7.787 -6.522 1.00 0.00 C ATOM 233 CZ TYR A 16 -4.665 -8.952 -7.071 1.00 0.00 C ATOM 234 OH TYR A 16 -3.633 -8.908 -7.996 1.00 0.00 O ATOM 0 H TYR A 16 -9.487 -9.511 -2.396 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.043 -10.790 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.671 -9.696 -4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.199 -8.132 -3.977 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.608 -11.173 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.565 -6.934 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.800 -11.074 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.747 -6.832 -6.816 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.377 -7.976 -8.156 1.00 0.00 H new ATOM 244 N CYS A 17 -6.801 -8.046 -1.277 1.00 0.00 N ATOM 245 CA CYS A 17 -5.870 -7.205 -0.533 1.00 0.00 C ATOM 246 C CYS A 17 -5.076 -8.023 0.486 1.00 0.00 C ATOM 247 O CYS A 17 -3.901 -7.769 0.715 1.00 0.00 O ATOM 248 CB CYS A 17 -6.608 -6.081 0.202 1.00 0.00 C ATOM 249 SG CYS A 17 -7.976 -6.668 1.218 1.00 0.00 S ATOM 0 H CYS A 17 -7.785 -7.835 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.183 -6.773 -1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.900 -5.544 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.988 -5.367 -0.529 1.00 0.00 H new ATOM 254 N LEU A 18 -5.730 -9.035 1.056 1.00 0.00 N ATOM 255 CA LEU A 18 -5.162 -9.853 2.111 1.00 0.00 C ATOM 256 C LEU A 18 -3.923 -10.591 1.652 1.00 0.00 C ATOM 257 O LEU A 18 -2.915 -10.618 2.361 1.00 0.00 O ATOM 258 CB LEU A 18 -6.205 -10.820 2.632 1.00 0.00 C ATOM 259 CG LEU A 18 -7.451 -10.164 3.234 1.00 0.00 C ATOM 260 CD1 LEU A 18 -8.399 -11.217 3.704 1.00 0.00 C ATOM 261 CD2 LEU A 18 -7.086 -9.234 4.387 1.00 0.00 C ATOM 0 H LEU A 18 -6.677 -9.307 0.791 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.854 -9.191 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.515 -11.472 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.745 -11.454 3.389 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.929 -9.565 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.284 -10.745 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.693 -11.844 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.913 -11.832 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.992 -8.784 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.583 -9.803 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.422 -8.449 4.025 1.00 0.00 H new ATOM 273 N ARG A 19 -3.982 -11.123 0.438 1.00 0.00 N ATOM 274 CA ARG A 19 -2.871 -11.866 -0.158 1.00 0.00 C ATOM 275 C ARG A 19 -1.620 -10.996 -0.252 1.00 0.00 C ATOM 276 O ARG A 19 -0.522 -11.436 0.101 1.00 0.00 O ATOM 277 CB ARG A 19 -3.273 -12.373 -1.552 1.00 0.00 C ATOM 278 CG ARG A 19 -2.185 -13.110 -2.364 1.00 0.00 C ATOM 279 CD ARG A 19 -1.697 -14.395 -1.717 1.00 0.00 C ATOM 280 NE ARG A 19 -0.737 -14.164 -0.638 1.00 0.00 N ATOM 281 CZ ARG A 19 -0.024 -15.124 -0.044 1.00 0.00 C ATOM 282 NH1 ARG A 19 -0.173 -16.395 -0.395 1.00 0.00 N ATOM 283 NH2 ARG A 19 0.841 -14.812 0.884 1.00 0.00 N ATOM 0 H ARG A 19 -4.802 -11.053 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.642 -12.718 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.124 -13.044 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.616 -11.520 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.578 -13.340 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.336 -12.441 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.552 -14.944 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.236 -15.025 -2.477 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.603 -13.205 -0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.838 -16.648 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.377 -17.119 0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.971 -13.837 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.387 -15.544 1.339 1.00 0.00 H new ATOM 297 N LEU A 20 -1.795 -9.777 -0.696 1.00 0.00 N ATOM 298 CA LEU A 20 -0.683 -8.859 -0.860 1.00 0.00 C ATOM 299 C LEU A 20 -0.236 -8.306 0.494 1.00 0.00 C ATOM 300 O LEU A 20 0.957 -8.164 0.758 1.00 0.00 O ATOM 301 CB LEU A 20 -1.075 -7.707 -1.807 1.00 0.00 C ATOM 302 CG LEU A 20 -0.068 -6.544 -1.998 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.132 -6.910 -2.877 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.773 -5.318 -2.531 1.00 0.00 C ATOM 0 H LEU A 20 -2.703 -9.390 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 20 0.152 -9.405 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.278 -8.136 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.011 -7.282 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 20 0.341 -6.325 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.794 -6.048 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.675 -7.739 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.782 -7.203 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.052 -4.511 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.232 -5.551 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.544 -5.007 -1.827 1.00 0.00 H new ATOM 316 N LYS A 21 -1.197 -8.033 1.356 1.00 0.00 N ATOM 317 CA LYS A 21 -0.930 -7.429 2.650 1.00 0.00 C ATOM 318 C LYS A 21 -0.063 -8.360 3.511 1.00 0.00 C ATOM 319 O LYS A 21 0.912 -7.923 4.139 1.00 0.00 O ATOM 320 CB LYS A 21 -2.246 -7.111 3.365 1.00 0.00 C ATOM 321 CG LYS A 21 -2.150 -5.951 4.341 1.00 0.00 C ATOM 322 CD LYS A 21 -3.455 -5.713 5.088 1.00 0.00 C ATOM 323 CE LYS A 21 -3.693 -6.750 6.179 1.00 0.00 C ATOM 324 NZ LYS A 21 -2.733 -6.604 7.301 1.00 0.00 N ATOM 0 H LYS A 21 -2.184 -8.223 1.181 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.383 -6.499 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.008 -6.884 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.580 -7.999 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.354 -6.149 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.874 -5.046 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.441 -4.718 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.285 -5.735 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.711 -6.652 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.606 -7.750 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.873 -7.378 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.761 -6.638 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.891 -5.693 7.777 1.00 0.00 H new ATOM 338 N THR A 22 -0.389 -9.648 3.507 1.00 0.00 N ATOM 339 CA THR A 22 0.386 -10.608 4.270 1.00 0.00 C ATOM 340 C THR A 22 1.771 -10.822 3.616 1.00 0.00 C ATOM 341 O THR A 22 2.759 -11.069 4.307 1.00 0.00 O ATOM 342 CB THR A 22 -0.381 -11.965 4.490 1.00 0.00 C ATOM 343 OG1 THR A 22 0.361 -12.840 5.350 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.651 -12.684 3.180 1.00 0.00 C ATOM 0 H THR A 22 -1.174 -10.044 2.990 1.00 0.00 H new ATOM 0 HA THR A 22 0.541 -10.191 5.265 1.00 0.00 H new ATOM 0 HB THR A 22 -1.334 -11.710 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.136 -13.676 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.182 -13.615 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.260 -12.050 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.294 -12.904 2.684 1.00 0.00 H new ATOM 352 N ALA A 23 1.841 -10.634 2.294 1.00 0.00 N ATOM 353 CA ALA A 23 3.092 -10.774 1.557 1.00 0.00 C ATOM 354 C ALA A 23 4.051 -9.681 1.952 1.00 0.00 C ATOM 355 O ALA A 23 5.223 -9.934 2.173 1.00 0.00 O ATOM 356 CB ALA A 23 2.843 -10.758 0.055 1.00 0.00 C ATOM 0 H ALA A 23 1.040 -10.384 1.714 1.00 0.00 H new ATOM 0 HA ALA A 23 3.537 -11.736 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.791 -10.864 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.184 -11.584 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.375 -9.815 -0.226 1.00 0.00 H new ATOM 362 N LEU A 24 3.540 -8.478 2.089 1.00 0.00 N ATOM 363 CA LEU A 24 4.357 -7.347 2.488 1.00 0.00 C ATOM 364 C LEU A 24 4.791 -7.481 3.938 1.00 0.00 C ATOM 365 O LEU A 24 5.909 -7.130 4.287 1.00 0.00 O ATOM 366 CB LEU A 24 3.618 -6.039 2.240 1.00 0.00 C ATOM 367 CG LEU A 24 3.244 -5.780 0.781 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.444 -4.514 0.640 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.466 -5.730 -0.111 1.00 0.00 C ATOM 0 H LEU A 24 2.558 -8.254 1.930 1.00 0.00 H new ATOM 0 HA LEU A 24 5.260 -7.337 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.708 -6.033 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.238 -5.215 2.593 1.00 0.00 H new ATOM 0 HG LEU A 24 2.626 -6.618 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.193 -4.357 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.527 -4.596 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.031 -3.670 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.158 -5.544 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.126 -4.928 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.995 -6.681 -0.057 1.00 0.00 H new ATOM 381 N THR A 25 3.921 -8.036 4.763 1.00 0.00 N ATOM 382 CA THR A 25 4.241 -8.280 6.156 1.00 0.00 C ATOM 383 C THR A 25 5.364 -9.342 6.245 1.00 0.00 C ATOM 384 O THR A 25 6.337 -9.180 6.984 1.00 0.00 O ATOM 385 CB THR A 25 2.988 -8.745 6.929 1.00 0.00 C ATOM 386 OG1 THR A 25 1.922 -7.804 6.701 1.00 0.00 O ATOM 387 CG2 THR A 25 3.269 -8.818 8.429 1.00 0.00 C ATOM 0 H THR A 25 2.983 -8.327 4.489 1.00 0.00 H new ATOM 0 HA THR A 25 4.588 -7.353 6.612 1.00 0.00 H new ATOM 0 HB THR A 25 2.709 -9.738 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.592 -7.900 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.371 -9.148 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.077 -9.526 8.614 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.559 -7.833 8.793 1.00 0.00 H new ATOM 395 N ALA A 26 5.245 -10.392 5.427 1.00 0.00 N ATOM 396 CA ALA A 26 6.258 -11.441 5.344 1.00 0.00 C ATOM 397 C ALA A 26 7.545 -10.891 4.751 1.00 0.00 C ATOM 398 O ALA A 26 8.637 -11.321 5.090 1.00 0.00 O ATOM 399 CB ALA A 26 5.752 -12.609 4.515 1.00 0.00 C ATOM 0 H ALA A 26 4.447 -10.536 4.808 1.00 0.00 H new ATOM 0 HA ALA A 26 6.465 -11.798 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.521 -13.380 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.855 -13.021 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.517 -12.265 3.508 1.00 0.00 H new ATOM 405 N ASN A 27 7.403 -9.924 3.873 1.00 0.00 N ATOM 406 CA ASN A 27 8.541 -9.242 3.267 1.00 0.00 C ATOM 407 C ASN A 27 9.125 -8.195 4.210 1.00 0.00 C ATOM 408 O ASN A 27 10.087 -7.511 3.868 1.00 0.00 O ATOM 409 CB ASN A 27 8.177 -8.627 1.906 1.00 0.00 C ATOM 410 CG ASN A 27 8.275 -9.600 0.728 1.00 0.00 C ATOM 411 OD1 ASN A 27 8.638 -9.210 -0.384 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.921 -10.843 0.936 1.00 0.00 N ATOM 0 H ASN A 27 6.497 -9.582 3.554 1.00 0.00 H new ATOM 0 HA ASN A 27 9.310 -9.993 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.160 -8.238 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.834 -7.778 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.942 -11.514 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.625 -11.140 1.866 1.00 0.00 H new ATOM 419 N ARG A 28 8.519 -8.089 5.401 1.00 0.00 N ATOM 420 CA ARG A 28 8.978 -7.241 6.509 1.00 0.00 C ATOM 421 C ARG A 28 8.818 -5.757 6.202 1.00 0.00 C ATOM 422 O ARG A 28 9.515 -4.902 6.763 1.00 0.00 O ATOM 423 CB ARG A 28 10.424 -7.599 6.920 1.00 0.00 C ATOM 424 CG ARG A 28 10.617 -9.083 7.264 1.00 0.00 C ATOM 425 CD ARG A 28 9.643 -9.537 8.343 1.00 0.00 C ATOM 426 NE ARG A 28 9.809 -10.950 8.701 1.00 0.00 N ATOM 427 CZ ARG A 28 9.169 -11.574 9.703 1.00 0.00 C ATOM 428 NH1 ARG A 28 8.316 -10.908 10.486 1.00 0.00 N ATOM 429 NH2 ARG A 28 9.400 -12.856 9.926 1.00 0.00 N ATOM 0 H ARG A 28 7.670 -8.607 5.626 1.00 0.00 H new ATOM 0 HA ARG A 28 8.335 -7.446 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.100 -7.332 6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.708 -6.995 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.476 -9.687 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.640 -9.249 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.782 -8.923 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.622 -9.372 7.998 1.00 0.00 H new ATOM 0 HE ARG A 28 10.462 -11.502 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.145 -9.915 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.835 -11.392 11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.061 -13.365 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.918 -13.337 10.685 1.00 0.00 H new ATOM 443 N ILE A 29 7.848 -5.463 5.376 1.00 0.00 N ATOM 444 CA ILE A 29 7.544 -4.115 4.978 1.00 0.00 C ATOM 445 C ILE A 29 6.568 -3.472 5.974 1.00 0.00 C ATOM 446 O ILE A 29 5.496 -4.019 6.253 1.00 0.00 O ATOM 447 CB ILE A 29 6.973 -4.090 3.523 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.058 -4.612 2.563 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.532 -2.681 3.132 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.639 -4.690 1.119 1.00 0.00 C ATOM 0 H ILE A 29 7.239 -6.164 4.955 1.00 0.00 H new ATOM 0 HA ILE A 29 8.463 -3.530 4.984 1.00 0.00 H new ATOM 0 HB ILE A 29 6.092 -4.730 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.932 -3.965 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.367 -5.604 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.139 -2.692 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.756 -2.339 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.386 -2.005 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.467 -5.068 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.786 -5.362 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.360 -3.697 0.767 1.00 0.00 H new ATOM 462 N ALA A 30 6.976 -2.347 6.543 1.00 0.00 N ATOM 463 CA ALA A 30 6.162 -1.620 7.501 1.00 0.00 C ATOM 464 C ALA A 30 5.166 -0.737 6.792 1.00 0.00 C ATOM 465 O ALA A 30 5.541 0.197 6.076 1.00 0.00 O ATOM 466 CB ALA A 30 7.025 -0.772 8.413 1.00 0.00 C ATOM 0 H ALA A 30 7.880 -1.914 6.353 1.00 0.00 H new ATOM 0 HA ALA A 30 5.627 -2.355 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.391 -0.238 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.718 -1.413 8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.588 -0.054 7.817 1.00 0.00 H new ATOM 472 N TYR A 31 3.918 -1.013 7.003 1.00 0.00 N ATOM 473 CA TYR A 31 2.856 -0.261 6.396 1.00 0.00 C ATOM 474 C TYR A 31 1.793 0.006 7.428 1.00 0.00 C ATOM 475 O TYR A 31 1.788 -0.627 8.485 1.00 0.00 O ATOM 476 CB TYR A 31 2.236 -1.050 5.219 1.00 0.00 C ATOM 477 CG TYR A 31 1.611 -2.387 5.611 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.300 -2.460 6.091 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.332 -3.566 5.509 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.260 -3.658 6.453 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.774 -4.771 5.870 1.00 0.00 C ATOM 482 CZ TYR A 31 0.478 -4.811 6.344 1.00 0.00 C ATOM 483 OH TYR A 31 -0.086 -6.016 6.710 1.00 0.00 O ATOM 0 H TYR A 31 3.601 -1.772 7.606 1.00 0.00 H new ATOM 0 HA TYR A 31 3.259 0.678 6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.473 -0.432 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.009 -1.230 4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.283 -1.555 6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.347 -3.539 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.275 -3.695 6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.348 -5.682 5.783 1.00 0.00 H new ATOM 0 HH TYR A 31 0.623 -6.666 6.897 1.00 0.00 H new ATOM 493 N ASP A 32 0.926 0.930 7.150 1.00 0.00 N ATOM 494 CA ASP A 32 -0.237 1.146 7.973 1.00 0.00 C ATOM 495 C ASP A 32 -1.459 0.934 7.104 1.00 0.00 C ATOM 496 O ASP A 32 -1.458 1.306 5.933 1.00 0.00 O ATOM 497 CB ASP A 32 -0.249 2.545 8.639 1.00 0.00 C ATOM 498 CG ASP A 32 -0.504 3.715 7.699 1.00 0.00 C ATOM 499 OD1 ASP A 32 0.377 4.063 6.889 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.563 4.372 7.831 1.00 0.00 O ATOM 0 H ASP A 32 0.999 1.558 6.349 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.228 0.437 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.014 2.552 9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.710 2.701 9.134 1.00 0.00 H new ATOM 505 N GLU A 33 -2.458 0.286 7.637 1.00 0.00 N ATOM 506 CA GLU A 33 -3.668 -0.020 6.885 1.00 0.00 C ATOM 507 C GLU A 33 -4.779 0.956 7.268 1.00 0.00 C ATOM 508 O GLU A 33 -4.921 1.306 8.443 1.00 0.00 O ATOM 509 CB GLU A 33 -4.043 -1.509 7.055 1.00 0.00 C ATOM 510 CG GLU A 33 -4.010 -2.016 8.490 1.00 0.00 C ATOM 511 CD GLU A 33 -4.109 -3.524 8.584 1.00 0.00 C ATOM 512 OE1 GLU A 33 -3.066 -4.209 8.460 1.00 0.00 O ATOM 513 OE2 GLU A 33 -5.216 -4.052 8.796 1.00 0.00 O ATOM 0 H GLU A 33 -2.468 -0.049 8.601 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.498 0.120 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.044 -1.665 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.360 -2.112 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.086 -1.687 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.832 -1.567 9.048 1.00 0.00 H new ATOM 520 N VAL A 34 -5.526 1.432 6.289 1.00 0.00 N ATOM 521 CA VAL A 34 -6.466 2.536 6.511 1.00 0.00 C ATOM 522 C VAL A 34 -7.913 2.114 6.824 1.00 0.00 C ATOM 523 O VAL A 34 -8.495 1.230 6.199 1.00 0.00 O ATOM 524 CB VAL A 34 -6.464 3.561 5.330 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.282 4.808 5.652 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.059 3.941 4.946 1.00 0.00 C ATOM 0 H VAL A 34 -5.507 1.079 5.332 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.084 3.013 7.414 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.937 3.067 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.252 5.492 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.315 4.524 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.864 5.301 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.087 4.655 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.558 4.394 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.513 3.050 4.635 1.00 0.00 H new ATOM 536 N ASP A 35 -8.446 2.840 7.771 1.00 0.00 N ATOM 537 CA ASP A 35 -9.810 2.821 8.331 1.00 0.00 C ATOM 538 C ASP A 35 -10.947 3.130 7.348 1.00 0.00 C ATOM 539 O ASP A 35 -12.074 3.192 7.783 1.00 0.00 O ATOM 540 CB ASP A 35 -9.916 3.772 9.519 1.00 0.00 C ATOM 541 CG ASP A 35 -9.039 3.361 10.654 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.867 3.757 10.670 1.00 0.00 O ATOM 543 OD2 ASP A 35 -9.504 2.614 11.540 1.00 0.00 O ATOM 0 H ASP A 35 -7.882 3.551 8.237 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.952 1.783 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.646 4.779 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.951 3.812 9.858 1.00 0.00 H new ATOM 548 N ILE A 36 -10.650 3.353 6.048 1.00 0.00 N ATOM 549 CA ILE A 36 -11.578 4.018 5.046 1.00 0.00 C ATOM 550 C ILE A 36 -13.061 3.627 5.098 1.00 0.00 C ATOM 551 O ILE A 36 -13.896 4.449 4.759 1.00 0.00 O ATOM 552 CB ILE A 36 -11.136 3.808 3.568 1.00 0.00 C ATOM 553 CG1 ILE A 36 -11.052 2.317 3.223 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.828 4.494 3.286 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.946 2.026 1.729 1.00 0.00 C ATOM 0 H ILE A 36 -9.756 3.082 5.640 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.488 5.056 5.367 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.896 4.261 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.187 1.887 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.934 1.814 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.547 4.328 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.932 5.564 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.056 4.088 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.891 0.949 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.823 2.423 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.048 2.498 1.329 1.00 0.00 H new ATOM 567 N GLU A 37 -13.400 2.446 5.536 1.00 0.00 N ATOM 568 CA GLU A 37 -14.804 2.081 5.615 1.00 0.00 C ATOM 569 C GLU A 37 -15.521 2.890 6.717 1.00 0.00 C ATOM 570 O GLU A 37 -16.728 3.111 6.661 1.00 0.00 O ATOM 571 CB GLU A 37 -14.954 0.588 5.824 1.00 0.00 C ATOM 572 CG GLU A 37 -14.320 0.056 7.089 1.00 0.00 C ATOM 573 CD GLU A 37 -14.389 -1.438 7.163 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.460 -2.100 6.676 1.00 0.00 O ATOM 575 OE2 GLU A 37 -15.357 -1.985 7.710 1.00 0.00 O ATOM 0 H GLU A 37 -12.745 1.726 5.840 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.282 2.331 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.016 0.342 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.517 0.070 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.278 0.374 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.823 0.486 7.955 1.00 0.00 H new ATOM 582 N HIS A 38 -14.750 3.351 7.685 1.00 0.00 N ATOM 583 CA HIS A 38 -15.244 4.168 8.784 1.00 0.00 C ATOM 584 C HIS A 38 -14.655 5.571 8.662 1.00 0.00 C ATOM 585 O HIS A 38 -14.789 6.402 9.563 1.00 0.00 O ATOM 586 CB HIS A 38 -14.824 3.570 10.143 1.00 0.00 C ATOM 587 CG HIS A 38 -15.265 2.157 10.379 1.00 0.00 C ATOM 588 ND1 HIS A 38 -14.396 1.095 10.518 1.00 0.00 N ATOM 589 CD2 HIS A 38 -16.505 1.643 10.523 1.00 0.00 C ATOM 590 CE1 HIS A 38 -15.114 -0.003 10.731 1.00 0.00 C ATOM 591 NE2 HIS A 38 -16.405 0.274 10.744 1.00 0.00 N ATOM 0 H HIS A 38 -13.748 3.167 7.733 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.332 4.200 8.734 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.738 3.613 10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.226 4.197 10.938 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.426 2.205 10.474 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.698 -0.989 10.874 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.172 -0.383 10.887 1.00 0.00 H new ATOM 599 N ASN A 39 -13.996 5.830 7.553 1.00 0.00 N ATOM 600 CA ASN A 39 -13.367 7.120 7.328 1.00 0.00 C ATOM 601 C ASN A 39 -13.503 7.511 5.871 1.00 0.00 C ATOM 602 O ASN A 39 -12.646 7.180 5.024 1.00 0.00 O ATOM 603 CB ASN A 39 -11.895 7.115 7.784 1.00 0.00 C ATOM 604 CG ASN A 39 -11.222 8.474 7.641 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.316 9.322 8.525 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.525 8.679 6.555 1.00 0.00 N ATOM 0 H ASN A 39 -13.880 5.164 6.789 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.879 7.869 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.844 6.799 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.342 6.379 7.200 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.038 9.565 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.468 7.953 5.841 1.00 0.00 H new ATOM 613 N ARG A 40 -14.586 8.199 5.585 1.00 0.00 N ATOM 614 CA ARG A 40 -14.978 8.543 4.224 1.00 0.00 C ATOM 615 C ARG A 40 -14.014 9.501 3.532 1.00 0.00 C ATOM 616 O ARG A 40 -13.863 9.440 2.318 1.00 0.00 O ATOM 617 CB ARG A 40 -16.392 9.112 4.184 1.00 0.00 C ATOM 618 CG ARG A 40 -16.569 10.396 4.972 1.00 0.00 C ATOM 619 CD ARG A 40 -17.948 10.962 4.773 1.00 0.00 C ATOM 620 NE ARG A 40 -18.210 11.285 3.365 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.398 11.579 2.853 1.00 0.00 C ATOM 622 NH1 ARG A 40 -20.490 11.550 3.620 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.492 11.879 1.565 1.00 0.00 N ATOM 0 H ARG A 40 -15.232 8.543 6.296 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.946 7.606 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.668 9.295 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.084 8.364 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.400 10.203 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.823 11.126 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.689 10.244 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.062 11.861 5.379 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.413 11.283 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.414 11.301 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.400 11.777 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.657 11.882 0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.400 12.107 1.159 1.00 0.00 H new ATOM 637 N ALA A 41 -13.341 10.352 4.300 1.00 0.00 N ATOM 638 CA ALA A 41 -12.418 11.340 3.730 1.00 0.00 C ATOM 639 C ALA A 41 -11.312 10.666 2.928 1.00 0.00 C ATOM 640 O ALA A 41 -10.898 11.152 1.866 1.00 0.00 O ATOM 641 CB ALA A 41 -11.833 12.211 4.819 1.00 0.00 C ATOM 0 H ALA A 41 -13.414 10.381 5.317 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.985 11.973 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.151 12.937 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.636 12.735 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.289 11.589 5.530 1.00 0.00 H new ATOM 647 N ALA A 42 -10.860 9.533 3.416 1.00 0.00 N ATOM 648 CA ALA A 42 -9.852 8.782 2.720 1.00 0.00 C ATOM 649 C ALA A 42 -10.503 7.844 1.703 1.00 0.00 C ATOM 650 O ALA A 42 -9.943 7.588 0.656 1.00 0.00 O ATOM 651 CB ALA A 42 -8.973 8.021 3.696 1.00 0.00 C ATOM 0 H ALA A 42 -11.177 9.116 4.291 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.209 9.476 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.218 7.460 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.483 8.724 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.586 7.331 4.276 1.00 0.00 H new ATOM 657 N ALA A 43 -11.721 7.384 2.002 1.00 0.00 N ATOM 658 CA ALA A 43 -12.452 6.455 1.121 1.00 0.00 C ATOM 659 C ALA A 43 -12.791 7.103 -0.216 1.00 0.00 C ATOM 660 O ALA A 43 -12.644 6.487 -1.282 1.00 0.00 O ATOM 661 CB ALA A 43 -13.720 5.954 1.789 1.00 0.00 C ATOM 0 H ALA A 43 -12.227 7.638 2.850 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.795 5.606 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.240 5.271 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.464 5.432 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.368 6.799 2.019 1.00 0.00 H new ATOM 667 N GLU A 44 -13.234 8.342 -0.162 1.00 0.00 N ATOM 668 CA GLU A 44 -13.566 9.089 -1.356 1.00 0.00 C ATOM 669 C GLU A 44 -12.289 9.410 -2.154 1.00 0.00 C ATOM 670 O GLU A 44 -12.312 9.464 -3.386 1.00 0.00 O ATOM 671 CB GLU A 44 -14.398 10.341 -0.993 1.00 0.00 C ATOM 672 CG GLU A 44 -15.757 9.973 -0.364 1.00 0.00 C ATOM 673 CD GLU A 44 -16.565 11.157 0.139 1.00 0.00 C ATOM 674 OE1 GLU A 44 -17.382 11.729 -0.624 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.440 11.519 1.320 1.00 0.00 O ATOM 0 H GLU A 44 -13.373 8.857 0.707 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.194 8.484 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.833 10.962 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.564 10.938 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.350 9.434 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.584 9.289 0.467 1.00 0.00 H new ATOM 682 N PHE A 45 -11.170 9.540 -1.440 1.00 0.00 N ATOM 683 CA PHE A 45 -9.857 9.748 -2.061 1.00 0.00 C ATOM 684 C PHE A 45 -9.424 8.488 -2.824 1.00 0.00 C ATOM 685 O PHE A 45 -8.875 8.571 -3.926 1.00 0.00 O ATOM 686 CB PHE A 45 -8.808 10.119 -0.991 1.00 0.00 C ATOM 687 CG PHE A 45 -7.387 10.156 -1.498 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.929 11.218 -2.252 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.514 9.112 -1.219 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.631 11.240 -2.720 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.217 9.131 -1.684 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.775 10.197 -2.436 1.00 0.00 C ATOM 0 H PHE A 45 -11.146 9.505 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.933 10.573 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.059 11.096 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.871 9.401 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.593 12.039 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.856 8.274 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.285 12.076 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.549 8.313 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.759 10.216 -2.803 1.00 0.00 H new ATOM 702 N VAL A 46 -9.688 7.332 -2.220 1.00 0.00 N ATOM 703 CA VAL A 46 -9.391 6.024 -2.814 1.00 0.00 C ATOM 704 C VAL A 46 -9.992 5.921 -4.207 1.00 0.00 C ATOM 705 O VAL A 46 -9.298 5.633 -5.179 1.00 0.00 O ATOM 706 CB VAL A 46 -9.946 4.872 -1.925 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.800 3.528 -2.600 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.242 4.842 -0.595 1.00 0.00 C ATOM 0 H VAL A 46 -10.118 7.272 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.307 5.928 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.007 5.068 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.198 2.749 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.350 3.532 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.746 3.332 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.644 4.030 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.175 4.684 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.396 5.790 -0.080 1.00 0.00 H new ATOM 718 N GLY A 47 -11.262 6.233 -4.298 1.00 0.00 N ATOM 719 CA GLY A 47 -11.950 6.158 -5.557 1.00 0.00 C ATOM 720 C GLY A 47 -11.389 7.125 -6.577 1.00 0.00 C ATOM 721 O GLY A 47 -11.348 6.822 -7.757 1.00 0.00 O ATOM 0 H GLY A 47 -11.837 6.541 -3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.881 5.142 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.008 6.369 -5.403 1.00 0.00 H new ATOM 725 N SER A 48 -10.910 8.254 -6.108 1.00 0.00 N ATOM 726 CA SER A 48 -10.382 9.283 -6.969 1.00 0.00 C ATOM 727 C SER A 48 -9.104 8.797 -7.695 1.00 0.00 C ATOM 728 O SER A 48 -8.872 9.154 -8.858 1.00 0.00 O ATOM 729 CB SER A 48 -10.114 10.562 -6.149 1.00 0.00 C ATOM 730 OG SER A 48 -9.739 11.661 -6.969 1.00 0.00 O ATOM 0 H SER A 48 -10.876 8.484 -5.115 1.00 0.00 H new ATOM 0 HA SER A 48 -11.120 9.514 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.009 10.822 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.324 10.367 -5.424 1.00 0.00 H new ATOM 0 HG SER A 48 -9.581 12.449 -6.408 1.00 0.00 H new ATOM 736 N VAL A 49 -8.307 7.959 -7.030 1.00 0.00 N ATOM 737 CA VAL A 49 -7.058 7.468 -7.620 1.00 0.00 C ATOM 738 C VAL A 49 -7.233 6.106 -8.304 1.00 0.00 C ATOM 739 O VAL A 49 -6.326 5.617 -8.992 1.00 0.00 O ATOM 740 CB VAL A 49 -5.882 7.413 -6.596 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.564 8.806 -6.069 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.184 6.463 -5.440 1.00 0.00 C ATOM 0 H VAL A 49 -8.500 7.608 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.794 8.200 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.008 7.028 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.741 8.746 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.279 9.453 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.444 9.217 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.342 6.452 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.079 6.800 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.348 5.458 -5.828 1.00 0.00 H new ATOM 752 N ASN A 50 -8.374 5.488 -8.099 1.00 0.00 N ATOM 753 CA ASN A 50 -8.660 4.213 -8.745 1.00 0.00 C ATOM 754 C ASN A 50 -9.469 4.440 -10.004 1.00 0.00 C ATOM 755 O ASN A 50 -9.117 3.958 -11.078 1.00 0.00 O ATOM 756 CB ASN A 50 -9.449 3.259 -7.841 1.00 0.00 C ATOM 757 CG ASN A 50 -8.754 2.798 -6.571 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.423 2.514 -5.591 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.447 2.677 -6.573 1.00 0.00 N ATOM 0 H ASN A 50 -9.118 5.838 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.696 3.758 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.382 3.748 -7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.714 2.377 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.965 2.338 -5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.913 2.922 -7.407 1.00 0.00 H new ATOM 766 N GLY A 51 -10.545 5.182 -9.864 1.00 0.00 N ATOM 767 CA GLY A 51 -11.446 5.432 -10.953 1.00 0.00 C ATOM 768 C GLY A 51 -12.875 5.222 -10.505 1.00 0.00 C ATOM 769 O GLY A 51 -13.239 5.589 -9.383 1.00 0.00 O ATOM 0 H GLY A 51 -10.815 5.628 -8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.317 6.452 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.216 4.767 -11.785 1.00 0.00 H new ATOM 773 N GLY A 52 -13.672 4.607 -11.337 1.00 0.00 N ATOM 774 CA GLY A 52 -15.053 4.344 -10.987 1.00 0.00 C ATOM 775 C GLY A 52 -15.174 3.117 -10.110 1.00 0.00 C ATOM 776 O GLY A 52 -16.154 2.947 -9.382 1.00 0.00 O ATOM 0 H GLY A 52 -13.395 4.277 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.469 5.207 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.640 4.204 -11.895 1.00 0.00 H new ATOM 780 N ASN A 53 -14.173 2.277 -10.174 1.00 0.00 N ATOM 781 CA ASN A 53 -14.128 1.053 -9.393 1.00 0.00 C ATOM 782 C ASN A 53 -13.215 1.252 -8.197 1.00 0.00 C ATOM 783 O ASN A 53 -12.016 1.480 -8.369 1.00 0.00 O ATOM 784 CB ASN A 53 -13.574 -0.095 -10.252 1.00 0.00 C ATOM 785 CG ASN A 53 -13.487 -1.423 -9.508 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.306 -1.724 -8.634 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.481 -2.207 -9.823 1.00 0.00 N ATOM 0 H ASN A 53 -13.358 2.418 -10.771 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.136 0.807 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.208 -0.220 -11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.582 0.177 -10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.357 -3.097 -9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.824 -1.926 -10.551 1.00 0.00 H new ATOM 794 N ARG A 54 -13.763 1.202 -6.997 1.00 0.00 N ATOM 795 CA ARG A 54 -12.938 1.320 -5.800 1.00 0.00 C ATOM 796 C ARG A 54 -12.126 0.050 -5.640 1.00 0.00 C ATOM 797 O ARG A 54 -12.674 -1.027 -5.430 1.00 0.00 O ATOM 798 CB ARG A 54 -13.776 1.569 -4.535 1.00 0.00 C ATOM 799 CG ARG A 54 -12.948 1.757 -3.278 1.00 0.00 C ATOM 800 CD ARG A 54 -13.823 1.936 -2.050 1.00 0.00 C ATOM 801 NE ARG A 54 -14.698 3.115 -2.145 1.00 0.00 N ATOM 802 CZ ARG A 54 -15.768 3.343 -1.371 1.00 0.00 C ATOM 803 NH1 ARG A 54 -16.109 2.474 -0.420 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.499 4.435 -1.554 1.00 0.00 N ATOM 0 H ARG A 54 -14.761 1.082 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.283 2.182 -5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.393 2.454 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.455 0.729 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.297 0.894 -3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.302 2.627 -3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.435 1.045 -1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.190 2.028 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.473 3.812 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.554 1.630 -0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.924 2.653 0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.247 5.101 -2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.313 4.608 -0.965 1.00 0.00 H new ATOM 818 N THR A 55 -10.855 0.175 -5.751 1.00 0.00 N ATOM 819 CA THR A 55 -9.962 -0.931 -5.661 1.00 0.00 C ATOM 820 C THR A 55 -9.389 -0.959 -4.258 1.00 0.00 C ATOM 821 O THR A 55 -9.015 0.088 -3.730 1.00 0.00 O ATOM 822 CB THR A 55 -8.848 -0.750 -6.688 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.448 -0.554 -7.986 1.00 0.00 O ATOM 824 CG2 THR A 55 -7.956 -1.963 -6.724 1.00 0.00 C ATOM 0 H THR A 55 -10.391 1.069 -5.911 1.00 0.00 H new ATOM 0 HA THR A 55 -10.477 -1.870 -5.864 1.00 0.00 H new ATOM 0 HB THR A 55 -8.242 0.113 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.744 -0.434 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.168 -1.814 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.508 -2.115 -5.742 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.545 -2.840 -6.994 1.00 0.00 H new ATOM 832 N VAL A 56 -9.346 -2.125 -3.632 1.00 0.00 N ATOM 833 CA VAL A 56 -8.885 -2.155 -2.269 1.00 0.00 C ATOM 834 C VAL A 56 -7.436 -2.009 -2.128 1.00 0.00 C ATOM 835 O VAL A 56 -7.027 -1.009 -1.551 1.00 0.00 O ATOM 836 CB VAL A 56 -9.283 -3.348 -1.426 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.892 -3.076 0.027 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.713 -3.557 -1.507 1.00 0.00 C ATOM 0 H VAL A 56 -9.614 -3.024 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.416 -1.284 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.774 -4.239 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.174 -3.928 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.815 -2.921 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.408 -2.184 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.990 -4.417 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.232 -2.671 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.996 -3.741 -2.544 1.00 0.00 H new ATOM 848 N PRO A 57 -6.561 -2.969 -2.629 1.00 0.00 N ATOM 849 CA PRO A 57 -5.221 -2.920 -2.231 1.00 0.00 C ATOM 850 C PRO A 57 -4.407 -1.849 -2.984 1.00 0.00 C ATOM 851 O PRO A 57 -3.533 -2.130 -3.816 1.00 0.00 O ATOM 852 CB PRO A 57 -4.682 -4.303 -2.439 1.00 0.00 C ATOM 853 CG PRO A 57 -5.426 -4.798 -3.628 1.00 0.00 C ATOM 854 CD PRO A 57 -6.770 -4.084 -3.619 1.00 0.00 C ATOM 0 HA PRO A 57 -5.140 -2.619 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.607 -4.291 -2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.854 -4.935 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.878 -4.584 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.560 -5.879 -3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.030 -3.702 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.577 -4.749 -3.312 1.00 0.00 H new ATOM 862 N THR A 58 -4.777 -0.678 -2.728 1.00 0.00 N ATOM 863 CA THR A 58 -4.212 0.474 -3.224 1.00 0.00 C ATOM 864 C THR A 58 -3.168 0.897 -2.213 1.00 0.00 C ATOM 865 O THR A 58 -3.470 1.058 -1.022 1.00 0.00 O ATOM 866 CB THR A 58 -5.339 1.513 -3.319 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.368 1.023 -4.216 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.855 2.867 -3.796 1.00 0.00 C ATOM 0 H THR A 58 -5.561 -0.488 -2.104 1.00 0.00 H new ATOM 0 HA THR A 58 -3.751 0.354 -4.204 1.00 0.00 H new ATOM 0 HB THR A 58 -5.736 1.652 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.154 0.753 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.696 3.558 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.108 3.251 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.412 2.767 -4.787 1.00 0.00 H new ATOM 876 N VAL A 59 -1.962 0.996 -2.643 1.00 0.00 N ATOM 877 CA VAL A 59 -0.906 1.348 -1.757 1.00 0.00 C ATOM 878 C VAL A 59 -0.477 2.790 -2.004 1.00 0.00 C ATOM 879 O VAL A 59 -0.423 3.243 -3.148 1.00 0.00 O ATOM 880 CB VAL A 59 0.293 0.368 -1.892 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.895 0.410 -3.265 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.330 0.605 -0.817 1.00 0.00 C ATOM 0 H VAL A 59 -1.678 0.837 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.271 1.268 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.097 -0.639 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.730 -0.289 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.141 0.131 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.252 1.418 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.153 -0.099 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.709 1.624 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.877 0.461 0.164 1.00 0.00 H new ATOM 892 N LYS A 60 -0.248 3.499 -0.950 1.00 0.00 N ATOM 893 CA LYS A 60 0.206 4.851 -0.994 1.00 0.00 C ATOM 894 C LYS A 60 1.578 4.922 -0.361 1.00 0.00 C ATOM 895 O LYS A 60 1.769 4.510 0.786 1.00 0.00 O ATOM 896 CB LYS A 60 -0.793 5.771 -0.274 1.00 0.00 C ATOM 897 CG LYS A 60 -0.402 7.233 -0.199 1.00 0.00 C ATOM 898 CD LYS A 60 -1.525 8.038 0.433 1.00 0.00 C ATOM 899 CE LYS A 60 -1.178 9.508 0.548 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.121 9.764 1.549 1.00 0.00 N ATOM 0 H LYS A 60 -0.375 3.143 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 60 0.275 5.191 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.756 5.697 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.935 5.399 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.511 7.345 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.188 7.613 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.431 7.925 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.743 7.639 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.851 9.878 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.073 10.069 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.044 10.788 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.420 9.391 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.758 9.293 1.254 1.00 0.00 H new ATOM 914 N PHE A 61 2.520 5.370 -1.123 1.00 0.00 N ATOM 915 CA PHE A 61 3.870 5.525 -0.673 1.00 0.00 C ATOM 916 C PHE A 61 4.035 6.866 0.013 1.00 0.00 C ATOM 917 O PHE A 61 3.216 7.773 -0.186 1.00 0.00 O ATOM 918 CB PHE A 61 4.853 5.351 -1.845 1.00 0.00 C ATOM 919 CG PHE A 61 4.905 3.932 -2.359 1.00 0.00 C ATOM 920 CD1 PHE A 61 3.956 3.445 -3.262 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.884 3.074 -1.911 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.004 2.129 -3.696 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.932 1.770 -2.344 1.00 0.00 C ATOM 924 CZ PHE A 61 4.993 1.296 -3.233 1.00 0.00 C ATOM 0 H PHE A 61 2.374 5.645 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 61 4.099 4.748 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.563 6.017 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.850 5.654 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.178 4.100 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.624 3.430 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.267 1.761 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.711 1.113 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.034 0.269 -3.566 1.00 0.00 H new ATOM 934 N ALA A 62 5.094 6.981 0.791 1.00 0.00 N ATOM 935 CA ALA A 62 5.400 8.151 1.626 1.00 0.00 C ATOM 936 C ALA A 62 5.326 9.503 0.892 1.00 0.00 C ATOM 937 O ALA A 62 4.950 10.518 1.494 1.00 0.00 O ATOM 938 CB ALA A 62 6.770 7.980 2.267 1.00 0.00 C ATOM 0 H ALA A 62 5.795 6.244 0.869 1.00 0.00 H new ATOM 0 HA ALA A 62 4.618 8.188 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.993 8.849 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.772 7.084 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.527 7.884 1.488 1.00 0.00 H new ATOM 944 N ASP A 63 5.655 9.528 -0.382 1.00 0.00 N ATOM 945 CA ASP A 63 5.686 10.797 -1.115 1.00 0.00 C ATOM 946 C ASP A 63 4.330 11.104 -1.766 1.00 0.00 C ATOM 947 O ASP A 63 4.130 12.193 -2.316 1.00 0.00 O ATOM 948 CB ASP A 63 6.779 10.791 -2.188 1.00 0.00 C ATOM 949 CG ASP A 63 6.338 10.144 -3.476 1.00 0.00 C ATOM 950 OD1 ASP A 63 5.979 8.938 -3.473 1.00 0.00 O ATOM 951 OD2 ASP A 63 6.362 10.823 -4.528 1.00 0.00 O ATOM 0 H ASP A 63 5.902 8.706 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 63 5.908 11.577 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.087 11.817 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.653 10.265 -1.805 1.00 0.00 H new ATOM 956 N GLY A 64 3.408 10.161 -1.701 1.00 0.00 N ATOM 957 CA GLY A 64 2.105 10.377 -2.294 1.00 0.00 C ATOM 958 C GLY A 64 1.852 9.541 -3.541 1.00 0.00 C ATOM 959 O GLY A 64 0.790 9.668 -4.170 1.00 0.00 O ATOM 0 H GLY A 64 3.535 9.254 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.337 10.151 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.002 11.432 -2.548 1.00 0.00 H new ATOM 963 N SER A 65 2.806 8.704 -3.914 1.00 0.00 N ATOM 964 CA SER A 65 2.618 7.817 -5.061 1.00 0.00 C ATOM 965 C SER A 65 1.649 6.691 -4.688 1.00 0.00 C ATOM 966 O SER A 65 1.859 6.005 -3.689 1.00 0.00 O ATOM 967 CB SER A 65 3.961 7.214 -5.490 1.00 0.00 C ATOM 968 OG SER A 65 4.913 8.230 -5.759 1.00 0.00 O ATOM 0 H SER A 65 3.710 8.617 -3.449 1.00 0.00 H new ATOM 0 HA SER A 65 2.207 8.394 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.336 6.558 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.820 6.599 -6.379 1.00 0.00 H new ATOM 0 HG SER A 65 5.561 8.274 -5.025 1.00 0.00 H new ATOM 974 N THR A 66 0.596 6.515 -5.450 1.00 0.00 N ATOM 975 CA THR A 66 -0.342 5.464 -5.167 1.00 0.00 C ATOM 976 C THR A 66 -0.311 4.439 -6.288 1.00 0.00 C ATOM 977 O THR A 66 -0.270 4.805 -7.468 1.00 0.00 O ATOM 978 CB THR A 66 -1.775 6.032 -5.052 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.093 6.748 -6.257 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.910 6.965 -3.855 1.00 0.00 C ATOM 0 H THR A 66 0.371 7.084 -6.266 1.00 0.00 H new ATOM 0 HA THR A 66 -0.063 4.998 -4.222 1.00 0.00 H new ATOM 0 HB THR A 66 -2.466 5.201 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.538 6.413 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.930 7.346 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.681 6.419 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.216 7.799 -3.963 1.00 0.00 H new ATOM 988 N LEU A 67 -0.356 3.191 -5.935 1.00 0.00 N ATOM 989 CA LEU A 67 -0.370 2.113 -6.893 1.00 0.00 C ATOM 990 C LEU A 67 -1.602 1.253 -6.687 1.00 0.00 C ATOM 991 O LEU A 67 -1.808 0.688 -5.604 1.00 0.00 O ATOM 992 CB LEU A 67 0.925 1.260 -6.834 1.00 0.00 C ATOM 993 CG LEU A 67 2.144 1.724 -7.686 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.638 3.130 -7.351 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.281 0.708 -7.614 1.00 0.00 C ATOM 0 H LEU A 67 -0.385 2.882 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.408 2.552 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.245 1.209 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.671 0.245 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 67 1.783 1.778 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.488 3.378 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.836 3.848 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.944 3.169 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.119 1.057 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.602 0.594 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.935 -0.253 -7.994 1.00 0.00 H new ATOM 1007 N THR A 68 -2.422 1.200 -7.698 1.00 0.00 N ATOM 1008 CA THR A 68 -3.637 0.436 -7.688 1.00 0.00 C ATOM 1009 C THR A 68 -3.335 -0.997 -8.161 1.00 0.00 C ATOM 1010 O THR A 68 -2.981 -1.212 -9.332 1.00 0.00 O ATOM 1011 CB THR A 68 -4.660 1.112 -8.631 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.859 2.488 -8.227 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.992 0.385 -8.629 1.00 0.00 C ATOM 0 H THR A 68 -2.260 1.699 -8.573 1.00 0.00 H new ATOM 0 HA THR A 68 -4.053 0.394 -6.681 1.00 0.00 H new ATOM 0 HB THR A 68 -4.258 1.073 -9.643 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.506 2.915 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.683 0.890 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.846 -0.643 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.405 0.384 -7.620 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.461 -1.950 -7.237 1.00 0.00 N ATOM 1022 CA ASN A 69 -3.151 -3.380 -7.472 1.00 0.00 C ATOM 1023 C ASN A 69 -1.704 -3.611 -7.903 1.00 0.00 C ATOM 1024 O ASN A 69 -1.444 -3.951 -9.066 1.00 0.00 O ATOM 1025 CB ASN A 69 -4.096 -4.077 -8.479 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.493 -4.347 -7.971 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.715 -4.514 -6.781 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -6.436 -4.434 -8.876 1.00 0.00 N ATOM 0 H ASN A 69 -3.785 -1.759 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.311 -3.838 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.166 -3.459 -9.374 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.647 -5.024 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.393 -4.647 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.213 -4.288 -9.861 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.730 -3.376 -7.018 1.00 0.00 N ATOM 1036 CA PRO A 70 0.670 -3.641 -7.322 1.00 0.00 C ATOM 1037 C PRO A 70 1.069 -5.097 -7.010 1.00 0.00 C ATOM 1038 O PRO A 70 0.226 -5.937 -6.649 1.00 0.00 O ATOM 1039 CB PRO A 70 1.387 -2.699 -6.368 1.00 0.00 C ATOM 1040 CG PRO A 70 0.528 -2.718 -5.158 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.884 -2.778 -5.672 1.00 0.00 C ATOM 0 HA PRO A 70 0.904 -3.496 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.398 -3.042 -6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.474 -1.695 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.754 -3.579 -4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.687 -1.828 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.520 -3.388 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.337 -1.788 -5.721 1.00 0.00 H new ATOM 1049 N SER A 71 2.341 -5.381 -7.157 1.00 0.00 N ATOM 1050 CA SER A 71 2.901 -6.664 -6.831 1.00 0.00 C ATOM 1051 C SER A 71 3.919 -6.491 -5.695 1.00 0.00 C ATOM 1052 O SER A 71 4.549 -5.433 -5.588 1.00 0.00 O ATOM 1053 CB SER A 71 3.559 -7.258 -8.062 1.00 0.00 C ATOM 1054 OG SER A 71 2.620 -7.402 -9.128 1.00 0.00 O ATOM 0 H SER A 71 3.025 -4.713 -7.513 1.00 0.00 H new ATOM 0 HA SER A 71 2.117 -7.345 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.382 -6.619 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.987 -8.230 -7.816 1.00 0.00 H new ATOM 0 HG SER A 71 3.069 -7.785 -9.910 1.00 0.00 H new ATOM 1060 N ALA A 72 4.080 -7.523 -4.874 1.00 0.00 N ATOM 1061 CA ALA A 72 4.919 -7.474 -3.666 1.00 0.00 C ATOM 1062 C ALA A 72 6.362 -7.030 -3.932 1.00 0.00 C ATOM 1063 O ALA A 72 6.869 -6.115 -3.272 1.00 0.00 O ATOM 1064 CB ALA A 72 4.897 -8.818 -2.950 1.00 0.00 C ATOM 0 H ALA A 72 3.632 -8.427 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 72 4.483 -6.708 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.522 -8.766 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.874 -9.060 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.279 -9.591 -3.616 1.00 0.00 H new ATOM 1070 N ASP A 73 7.004 -7.632 -4.921 1.00 0.00 N ATOM 1071 CA ASP A 73 8.414 -7.327 -5.210 1.00 0.00 C ATOM 1072 C ASP A 73 8.573 -5.959 -5.826 1.00 0.00 C ATOM 1073 O ASP A 73 9.637 -5.349 -5.732 1.00 0.00 O ATOM 1074 CB ASP A 73 9.096 -8.398 -6.073 1.00 0.00 C ATOM 1075 CG ASP A 73 9.176 -9.745 -5.390 1.00 0.00 C ATOM 1076 OD1 ASP A 73 10.074 -9.954 -4.527 1.00 0.00 O ATOM 1077 OD2 ASP A 73 8.356 -10.636 -5.707 1.00 0.00 O ATOM 0 H ASP A 73 6.585 -8.329 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 73 8.923 -7.329 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.549 -8.504 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.102 -8.065 -6.327 1.00 0.00 H new ATOM 1082 N GLU A 74 7.523 -5.470 -6.454 1.00 0.00 N ATOM 1083 CA GLU A 74 7.526 -4.120 -6.965 1.00 0.00 C ATOM 1084 C GLU A 74 7.447 -3.150 -5.835 1.00 0.00 C ATOM 1085 O GLU A 74 8.210 -2.205 -5.791 1.00 0.00 O ATOM 1086 CB GLU A 74 6.391 -3.863 -7.931 1.00 0.00 C ATOM 1087 CG GLU A 74 6.664 -4.351 -9.338 1.00 0.00 C ATOM 1088 CD GLU A 74 7.797 -3.570 -9.971 1.00 0.00 C ATOM 1089 OE1 GLU A 74 7.605 -2.360 -10.270 1.00 0.00 O ATOM 1090 OE2 GLU A 74 8.904 -4.118 -10.132 1.00 0.00 O ATOM 0 H GLU A 74 6.660 -5.988 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 74 8.459 -3.987 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.490 -4.349 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.187 -2.793 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.915 -5.411 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.764 -4.249 -9.944 1.00 0.00 H new ATOM 1097 N VAL A 75 6.534 -3.407 -4.906 1.00 0.00 N ATOM 1098 CA VAL A 75 6.339 -2.541 -3.755 1.00 0.00 C ATOM 1099 C VAL A 75 7.623 -2.457 -2.939 1.00 0.00 C ATOM 1100 O VAL A 75 8.054 -1.382 -2.554 1.00 0.00 O ATOM 1101 CB VAL A 75 5.164 -3.020 -2.850 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.019 -2.142 -1.614 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.865 -3.026 -3.629 1.00 0.00 C ATOM 0 H VAL A 75 5.913 -4.216 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 75 6.079 -1.552 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 75 5.393 -4.034 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.190 -2.504 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.940 -2.178 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.823 -1.114 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.055 -3.363 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.650 -2.019 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.954 -3.701 -4.480 1.00 0.00 H new ATOM 1113 N LYS A 76 8.240 -3.597 -2.740 1.00 0.00 N ATOM 1114 CA LYS A 76 9.483 -3.713 -1.999 1.00 0.00 C ATOM 1115 C LYS A 76 10.607 -2.925 -2.697 1.00 0.00 C ATOM 1116 O LYS A 76 11.332 -2.164 -2.055 1.00 0.00 O ATOM 1117 CB LYS A 76 9.820 -5.195 -1.880 1.00 0.00 C ATOM 1118 CG LYS A 76 11.043 -5.560 -1.038 1.00 0.00 C ATOM 1119 CD LYS A 76 11.101 -7.079 -0.835 1.00 0.00 C ATOM 1120 CE LYS A 76 11.159 -7.823 -2.167 1.00 0.00 C ATOM 1121 NZ LYS A 76 10.881 -9.265 -2.031 1.00 0.00 N ATOM 0 H LYS A 76 7.890 -4.488 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 76 9.376 -3.285 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.954 -5.707 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.969 -5.591 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.952 -5.215 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.994 -5.057 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.976 -7.333 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.226 -7.405 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.438 -7.382 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.146 -7.688 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.800 -9.693 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.657 -9.721 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.990 -9.399 -1.512 1.00 0.00 H new ATOM 1135 N ALA A 77 10.696 -3.064 -4.021 1.00 0.00 N ATOM 1136 CA ALA A 77 11.711 -2.361 -4.811 1.00 0.00 C ATOM 1137 C ALA A 77 11.436 -0.852 -4.867 1.00 0.00 C ATOM 1138 O ALA A 77 12.329 -0.048 -5.166 1.00 0.00 O ATOM 1139 CB ALA A 77 11.789 -2.934 -6.214 1.00 0.00 C ATOM 0 H ALA A 77 10.076 -3.659 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 77 12.671 -2.508 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.548 -2.398 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.053 -3.990 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.822 -2.825 -6.706 1.00 0.00 H new ATOM 1145 N LYS A 78 10.204 -0.472 -4.619 1.00 0.00 N ATOM 1146 CA LYS A 78 9.847 0.927 -4.549 1.00 0.00 C ATOM 1147 C LYS A 78 10.138 1.445 -3.148 1.00 0.00 C ATOM 1148 O LYS A 78 10.629 2.552 -2.985 1.00 0.00 O ATOM 1149 CB LYS A 78 8.369 1.149 -4.895 1.00 0.00 C ATOM 1150 CG LYS A 78 7.961 0.726 -6.287 1.00 0.00 C ATOM 1151 CD LYS A 78 8.626 1.545 -7.365 1.00 0.00 C ATOM 1152 CE LYS A 78 8.297 0.976 -8.732 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.871 -0.383 -8.907 1.00 0.00 N ATOM 0 H LYS A 78 9.428 -1.115 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 78 10.442 1.473 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.759 0.605 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.139 2.207 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.210 -0.325 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.879 0.813 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.291 2.581 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.706 1.549 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.215 0.935 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.684 1.638 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.566 -0.369 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.339 -0.678 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.111 -1.054 -9.137 1.00 0.00 H new ATOM 1167 N LEU A 79 9.860 0.614 -2.145 1.00 0.00 N ATOM 1168 CA LEU A 79 10.090 0.958 -0.743 1.00 0.00 C ATOM 1169 C LEU A 79 11.546 1.322 -0.537 1.00 0.00 C ATOM 1170 O LEU A 79 11.863 2.369 0.016 1.00 0.00 O ATOM 1171 CB LEU A 79 9.753 -0.222 0.191 1.00 0.00 C ATOM 1172 CG LEU A 79 9.809 0.063 1.704 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.597 0.863 2.194 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.973 -1.224 2.489 1.00 0.00 C ATOM 0 H LEU A 79 9.468 -0.318 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 79 9.442 1.800 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.751 -0.575 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.441 -1.038 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 79 10.685 0.687 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.685 1.037 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.558 1.820 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.685 0.302 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.010 -0.998 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.129 -1.883 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.898 -1.717 2.190 1.00 0.00 H new ATOM 1186 N VAL A 80 12.424 0.470 -1.038 1.00 0.00 N ATOM 1187 CA VAL A 80 13.853 0.651 -0.879 1.00 0.00 C ATOM 1188 C VAL A 80 14.348 1.959 -1.524 1.00 0.00 C ATOM 1189 O VAL A 80 15.254 2.603 -1.008 1.00 0.00 O ATOM 1190 CB VAL A 80 14.673 -0.574 -1.405 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.270 -1.867 -0.700 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.561 -0.728 -2.912 1.00 0.00 C ATOM 0 H VAL A 80 12.165 -0.364 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 80 14.028 0.723 0.194 1.00 0.00 H new ATOM 0 HB VAL A 80 15.718 -0.373 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.861 -2.695 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.449 -1.769 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.212 -2.062 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.145 -1.590 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.516 -0.875 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.941 0.170 -3.399 1.00 0.00 H new ATOM 1202 N LYS A 81 13.732 2.358 -2.631 1.00 0.00 N ATOM 1203 CA LYS A 81 14.148 3.563 -3.309 1.00 0.00 C ATOM 1204 C LYS A 81 13.547 4.813 -2.657 1.00 0.00 C ATOM 1205 O LYS A 81 14.181 5.860 -2.612 1.00 0.00 O ATOM 1206 CB LYS A 81 13.893 3.484 -4.840 1.00 0.00 C ATOM 1207 CG LYS A 81 12.426 3.454 -5.277 1.00 0.00 C ATOM 1208 CD LYS A 81 11.919 4.818 -5.755 1.00 0.00 C ATOM 1209 CE LYS A 81 12.606 5.241 -7.053 1.00 0.00 C ATOM 1210 NZ LYS A 81 12.106 6.532 -7.574 1.00 0.00 N ATOM 0 H LYS A 81 12.953 1.866 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 81 15.228 3.652 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.375 4.340 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.384 2.590 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.306 2.726 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.811 3.115 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.841 4.774 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.101 5.567 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.680 5.315 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.456 4.468 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.607 6.768 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.086 6.458 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.273 7.279 -6.870 1.00 0.00 H new ATOM 1224 N ILE A 82 12.341 4.697 -2.114 1.00 0.00 N ATOM 1225 CA ILE A 82 11.690 5.848 -1.490 1.00 0.00 C ATOM 1226 C ILE A 82 12.178 6.065 -0.061 1.00 0.00 C ATOM 1227 O ILE A 82 11.914 7.096 0.550 1.00 0.00 O ATOM 1228 CB ILE A 82 10.112 5.822 -1.591 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.439 4.623 -0.865 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.680 5.840 -3.046 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.349 4.726 0.651 1.00 0.00 C ATOM 0 H ILE A 82 11.799 3.833 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 82 11.995 6.716 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 82 9.773 6.720 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.431 4.503 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.990 3.716 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.592 5.822 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.053 6.745 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.085 4.966 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.862 3.835 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.352 4.809 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.768 5.608 0.922 1.00 0.00 H new ATOM 1243 N ALA A 83 12.878 5.078 0.467 1.00 0.00 N ATOM 1244 CA ALA A 83 13.442 5.154 1.804 1.00 0.00 C ATOM 1245 C ALA A 83 14.867 5.710 1.755 1.00 0.00 C ATOM 1246 O ALA A 83 15.566 5.786 2.776 1.00 0.00 O ATOM 1247 CB ALA A 83 13.417 3.786 2.467 1.00 0.00 C ATOM 0 H ALA A 83 13.072 4.202 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 83 12.834 5.834 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.843 3.859 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.388 3.433 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.003 3.084 1.874 1.00 0.00 H new