USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 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 4 TYR OH : rot -47:sc= 1.26 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 169:sc= 1.25 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0498 K(o=-0.05,f=-3!) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00183) USER MOD Single : A 35 ASN : amide:sc= -0.213 K(o=-0.21,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0913) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0334 (180deg=-0.162) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -50:sc= 1.3 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 9.046 0.372 2.731 1.00 0.00 N ATOM 48 CA ASP A 3 8.400 0.937 1.565 1.00 0.00 C ATOM 49 C ASP A 3 6.895 0.730 1.595 1.00 0.00 C ATOM 50 O ASP A 3 6.340 0.028 2.449 1.00 0.00 O ATOM 51 CB ASP A 3 9.018 0.413 0.257 1.00 0.00 C ATOM 52 CG ASP A 3 10.513 0.643 0.069 1.00 0.00 C ATOM 53 OD1 ASP A 3 11.095 1.511 0.755 1.00 0.00 O ATOM 54 OD2 ASP A 3 11.050 0.021 -0.871 1.00 0.00 O ATOM 0 HA ASP A 3 8.577 2.012 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.828 -0.658 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.494 0.878 -0.578 1.00 0.00 H new ATOM 59 N TYR A 4 6.238 1.337 0.609 1.00 0.00 N ATOM 60 CA TYR A 4 4.805 1.316 0.412 1.00 0.00 C ATOM 61 C TYR A 4 4.564 1.023 -1.069 1.00 0.00 C ATOM 62 O TYR A 4 4.113 1.891 -1.809 1.00 0.00 O ATOM 63 CB TYR A 4 4.209 2.658 0.873 1.00 0.00 C ATOM 64 CG TYR A 4 4.598 3.091 2.280 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.310 2.280 3.398 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.314 4.289 2.462 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.763 2.646 4.679 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.751 4.668 3.742 1.00 0.00 C ATOM 69 CZ TYR A 4 5.498 3.839 4.852 1.00 0.00 C ATOM 70 OH TYR A 4 5.964 4.215 6.076 1.00 0.00 O ATOM 0 H TYR A 4 6.722 1.881 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 4 4.311 0.545 1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.518 3.434 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.122 2.593 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.738 1.373 3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.529 4.921 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.549 2.015 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.283 5.598 3.875 1.00 0.00 H new ATOM 0 HH TYR A 4 5.248 4.128 6.739 1.00 0.00 H new ATOM 80 N TYR A 5 4.909 -0.187 -1.514 1.00 0.00 N ATOM 81 CA TYR A 5 4.591 -0.746 -2.824 1.00 0.00 C ATOM 82 C TYR A 5 4.272 -2.224 -2.579 1.00 0.00 C ATOM 83 O TYR A 5 3.108 -2.592 -2.424 1.00 0.00 O ATOM 84 CB TYR A 5 5.763 -0.519 -3.801 1.00 0.00 C ATOM 85 CG TYR A 5 5.508 0.481 -4.916 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.663 1.858 -4.677 1.00 0.00 C ATOM 87 CD2 TYR A 5 5.206 0.033 -6.217 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.597 2.776 -5.740 1.00 0.00 C ATOM 89 CE2 TYR A 5 5.120 0.946 -7.283 1.00 0.00 C ATOM 90 CZ TYR A 5 5.356 2.320 -7.054 1.00 0.00 C ATOM 91 OH TYR A 5 5.344 3.221 -8.076 1.00 0.00 O ATOM 0 H TYR A 5 5.446 -0.835 -0.938 1.00 0.00 H new ATOM 0 HA TYR A 5 3.735 -0.263 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.629 -0.185 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.028 -1.476 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.834 2.213 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.039 -1.019 -6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.731 3.831 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.874 0.597 -8.275 1.00 0.00 H new ATOM 0 HH TYR A 5 5.166 2.756 -8.920 1.00 0.00 H new ATOM 101 N GLN A 6 5.288 -3.079 -2.451 1.00 0.00 N ATOM 102 CA GLN A 6 5.143 -4.508 -2.180 1.00 0.00 C ATOM 103 C GLN A 6 4.487 -4.776 -0.821 1.00 0.00 C ATOM 104 O GLN A 6 3.973 -5.863 -0.586 1.00 0.00 O ATOM 105 CB GLN A 6 6.527 -5.151 -2.223 1.00 0.00 C ATOM 106 CG GLN A 6 6.501 -6.683 -2.300 1.00 0.00 C ATOM 107 CD GLN A 6 7.926 -7.199 -2.374 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.507 -7.266 -3.453 1.00 0.00 O ATOM 109 NE2 GLN A 6 8.531 -7.522 -1.248 1.00 0.00 N ATOM 0 H GLN A 6 6.262 -2.787 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 6 4.491 -4.939 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.070 -4.763 -3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.083 -4.851 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.996 -7.095 -1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.938 -7.006 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.028 -7.459 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.502 -7.835 -1.262 1.00 0.00 H new ATOM 118 N THR A 7 4.445 -3.785 0.057 1.00 0.00 N ATOM 119 CA THR A 7 3.711 -3.816 1.315 1.00 0.00 C ATOM 120 C THR A 7 2.205 -4.016 1.085 1.00 0.00 C ATOM 121 O THR A 7 1.528 -4.641 1.898 1.00 0.00 O ATOM 122 CB THR A 7 4.046 -2.527 2.081 1.00 0.00 C ATOM 123 OG1 THR A 7 5.456 -2.418 2.131 1.00 0.00 O ATOM 124 CG2 THR A 7 3.494 -2.494 3.503 1.00 0.00 C ATOM 0 H THR A 7 4.939 -2.905 -0.092 1.00 0.00 H new ATOM 0 HA THR A 7 4.014 -4.672 1.918 1.00 0.00 H new ATOM 0 HB THR A 7 3.578 -1.695 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.704 -1.526 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.771 -1.554 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.408 -2.579 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.908 -3.326 4.073 1.00 0.00 H new ATOM 132 N LEU A 8 1.691 -3.611 -0.080 1.00 0.00 N ATOM 133 CA LEU A 8 0.340 -3.922 -0.555 1.00 0.00 C ATOM 134 C LEU A 8 0.332 -5.198 -1.416 1.00 0.00 C ATOM 135 O LEU A 8 -0.604 -5.461 -2.167 1.00 0.00 O ATOM 136 CB LEU A 8 -0.216 -2.711 -1.322 1.00 0.00 C ATOM 137 CG LEU A 8 -1.755 -2.729 -1.375 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.378 -2.197 -0.083 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.259 -1.923 -2.565 1.00 0.00 C ATOM 0 H LEU A 8 2.220 -3.040 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.306 -4.121 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.121 -1.791 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.183 -2.708 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.061 -3.769 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.465 -2.227 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.059 -2.815 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.055 -1.169 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.349 -1.947 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.921 -0.891 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.869 -2.353 -3.487 1.00 0.00 H new ATOM 151 N GLY A 9 1.384 -6.009 -1.362 1.00 0.00 N ATOM 152 CA GLY A 9 1.595 -7.137 -2.253 1.00 0.00 C ATOM 153 C GLY A 9 1.900 -6.694 -3.677 1.00 0.00 C ATOM 154 O GLY A 9 1.737 -7.502 -4.591 1.00 0.00 O ATOM 0 H GLY A 9 2.131 -5.894 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.419 -7.745 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.707 -7.769 -2.253 1.00 0.00 H new ATOM 158 N LEU A 10 2.297 -5.435 -3.905 1.00 0.00 N ATOM 159 CA LEU A 10 2.517 -4.913 -5.247 1.00 0.00 C ATOM 160 C LEU A 10 3.922 -5.263 -5.764 1.00 0.00 C ATOM 161 O LEU A 10 4.615 -6.076 -5.150 1.00 0.00 O ATOM 162 CB LEU A 10 2.229 -3.403 -5.260 1.00 0.00 C ATOM 163 CG LEU A 10 1.453 -2.879 -6.487 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.940 -3.925 -7.478 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.205 -2.170 -5.989 1.00 0.00 C ATOM 0 H LEU A 10 2.472 -4.757 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 10 1.825 -5.390 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.664 -3.152 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.178 -2.870 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 10 2.179 -2.261 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.413 -3.427 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.782 -4.488 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.259 -4.606 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.361 -1.790 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.412 -2.871 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.491 -1.340 -5.344 1.00 0.00 H new ATOM 177 N ALA A 11 4.355 -4.673 -6.881 1.00 0.00 N ATOM 178 CA ALA A 11 5.702 -4.814 -7.422 1.00 0.00 C ATOM 179 C ALA A 11 6.174 -3.451 -7.927 1.00 0.00 C ATOM 180 O ALA A 11 5.350 -2.623 -8.328 1.00 0.00 O ATOM 181 CB ALA A 11 5.695 -5.830 -8.564 1.00 0.00 C ATOM 0 H ALA A 11 3.759 -4.068 -7.447 1.00 0.00 H new ATOM 0 HA ALA A 11 6.381 -5.169 -6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.703 -5.933 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.353 -6.795 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.024 -5.488 -9.352 1.00 0.00 H new ATOM 187 N ARG A 12 7.488 -3.207 -7.916 1.00 0.00 N ATOM 188 CA ARG A 12 8.050 -1.973 -8.460 1.00 0.00 C ATOM 189 C ARG A 12 7.995 -2.109 -9.980 1.00 0.00 C ATOM 190 O ARG A 12 8.680 -2.969 -10.535 1.00 0.00 O ATOM 191 CB ARG A 12 9.481 -1.715 -7.952 1.00 0.00 C ATOM 192 CG ARG A 12 9.606 -1.478 -6.434 1.00 0.00 C ATOM 193 CD ARG A 12 9.822 -2.750 -5.598 1.00 0.00 C ATOM 194 NE ARG A 12 11.135 -3.372 -5.849 1.00 0.00 N ATOM 195 CZ ARG A 12 12.265 -3.178 -5.154 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.341 -2.297 -4.165 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.359 -3.865 -5.453 1.00 0.00 N ATOM 0 H ARG A 12 8.181 -3.851 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 12 7.476 -1.108 -8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.105 -2.567 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.883 -0.847 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.438 -0.797 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.703 -0.979 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.736 -2.505 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.034 -3.468 -5.824 1.00 0.00 H new ATOM 0 HE ARG A 12 11.189 -4.019 -6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.523 -1.742 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.217 -2.175 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.343 -4.544 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.217 -3.715 -4.922 1.00 0.00 H new ATOM 211 N GLY A 13 7.120 -1.347 -10.629 1.00 0.00 N ATOM 212 CA GLY A 13 6.793 -1.439 -12.051 1.00 0.00 C ATOM 213 C GLY A 13 5.281 -1.499 -12.300 1.00 0.00 C ATOM 214 O GLY A 13 4.840 -1.333 -13.439 1.00 0.00 O ATOM 0 H GLY A 13 6.593 -0.613 -10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.211 -0.578 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.264 -2.327 -12.473 1.00 0.00 H new ATOM 218 N ALA A 14 4.478 -1.703 -11.247 1.00 0.00 N ATOM 219 CA ALA A 14 3.019 -1.721 -11.297 1.00 0.00 C ATOM 220 C ALA A 14 2.425 -0.362 -11.707 1.00 0.00 C ATOM 221 O ALA A 14 3.146 0.613 -11.954 1.00 0.00 O ATOM 222 CB ALA A 14 2.498 -2.156 -9.927 1.00 0.00 C ATOM 0 H ALA A 14 4.843 -1.865 -10.308 1.00 0.00 H new ATOM 0 HA ALA A 14 2.704 -2.428 -12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.408 -2.176 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.876 -3.151 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.837 -1.451 -9.168 1.00 0.00 H new ATOM 228 N SER A 15 1.096 -0.294 -11.767 1.00 0.00 N ATOM 229 CA SER A 15 0.320 0.843 -12.234 1.00 0.00 C ATOM 230 C SER A 15 -0.887 1.083 -11.326 1.00 0.00 C ATOM 231 O SER A 15 -1.207 0.285 -10.443 1.00 0.00 O ATOM 232 CB SER A 15 -0.101 0.569 -13.686 1.00 0.00 C ATOM 233 OG SER A 15 -0.757 -0.685 -13.778 1.00 0.00 O ATOM 0 H SER A 15 0.506 -1.073 -11.475 1.00 0.00 H new ATOM 0 HA SER A 15 0.919 1.753 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.764 1.361 -14.036 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.775 0.577 -14.334 1.00 0.00 H new ATOM 0 HG SER A 15 -1.022 -0.848 -14.707 1.00 0.00 H new ATOM 239 N ASP A 16 -1.577 2.194 -11.564 1.00 0.00 N ATOM 240 CA ASP A 16 -2.616 2.754 -10.707 1.00 0.00 C ATOM 241 C ASP A 16 -3.818 1.821 -10.600 1.00 0.00 C ATOM 242 O ASP A 16 -4.416 1.673 -9.533 1.00 0.00 O ATOM 243 CB ASP A 16 -3.077 4.101 -11.289 1.00 0.00 C ATOM 244 CG ASP A 16 -1.996 5.176 -11.229 1.00 0.00 C ATOM 245 OD1 ASP A 16 -0.856 4.912 -11.671 1.00 0.00 O ATOM 246 OD2 ASP A 16 -2.256 6.272 -10.682 1.00 0.00 O ATOM 0 H ASP A 16 -1.419 2.756 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.198 2.887 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.382 3.958 -12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.955 4.445 -10.743 1.00 0.00 H new ATOM 251 N GLU A 17 -4.165 1.156 -11.701 1.00 0.00 N ATOM 252 CA GLU A 17 -5.297 0.243 -11.729 1.00 0.00 C ATOM 253 C GLU A 17 -4.888 -1.119 -11.158 1.00 0.00 C ATOM 254 O GLU A 17 -5.751 -1.890 -10.737 1.00 0.00 O ATOM 255 CB GLU A 17 -5.838 0.157 -13.168 1.00 0.00 C ATOM 256 CG GLU A 17 -7.317 -0.245 -13.250 1.00 0.00 C ATOM 257 CD GLU A 17 -8.224 0.783 -12.566 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.568 1.821 -13.174 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.557 0.591 -11.373 1.00 0.00 O ATOM 0 H GLU A 17 -3.671 1.237 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.105 0.612 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.706 1.124 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.243 -0.565 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.608 -0.348 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.455 -1.220 -12.783 1.00 0.00 H new ATOM 266 N GLU A 18 -3.580 -1.396 -11.059 1.00 0.00 N ATOM 267 CA GLU A 18 -3.065 -2.553 -10.352 1.00 0.00 C ATOM 268 C GLU A 18 -3.171 -2.239 -8.868 1.00 0.00 C ATOM 269 O GLU A 18 -3.670 -3.082 -8.133 1.00 0.00 O ATOM 270 CB GLU A 18 -1.617 -2.866 -10.768 1.00 0.00 C ATOM 271 CG GLU A 18 -1.423 -4.327 -11.217 1.00 0.00 C ATOM 272 CD GLU A 18 -1.673 -5.405 -10.149 1.00 0.00 C ATOM 273 OE1 GLU A 18 -1.551 -5.156 -8.931 1.00 0.00 O ATOM 274 OE2 GLU A 18 -1.973 -6.569 -10.506 1.00 0.00 O ATOM 0 H GLU A 18 -2.853 -0.813 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.641 -3.446 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.326 -2.200 -11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.951 -2.657 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.089 -4.518 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.403 -4.440 -11.585 1.00 0.00 H new ATOM 281 N ILE A 19 -2.835 -1.010 -8.439 1.00 0.00 N ATOM 282 CA ILE A 19 -3.035 -0.568 -7.065 1.00 0.00 C ATOM 283 C ILE A 19 -4.488 -0.793 -6.704 1.00 0.00 C ATOM 284 O ILE A 19 -4.777 -1.543 -5.781 1.00 0.00 O ATOM 285 CB ILE A 19 -2.591 0.890 -6.813 1.00 0.00 C ATOM 286 CG1 ILE A 19 -1.060 0.907 -6.749 1.00 0.00 C ATOM 287 CG2 ILE A 19 -3.171 1.466 -5.501 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.473 2.304 -6.760 1.00 0.00 C ATOM 0 H ILE A 19 -2.418 -0.301 -9.042 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.391 -1.160 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.966 1.514 -7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.736 0.392 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.662 0.347 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.828 2.493 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.260 1.450 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.834 0.862 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.614 2.242 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.768 2.815 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.843 2.861 -5.899 1.00 0.00 H new ATOM 300 N LYS A 20 -5.422 -0.148 -7.401 1.00 0.00 N ATOM 301 CA LYS A 20 -6.810 -0.187 -6.957 1.00 0.00 C ATOM 302 C LYS A 20 -7.442 -1.569 -7.124 1.00 0.00 C ATOM 303 O LYS A 20 -8.475 -1.825 -6.505 1.00 0.00 O ATOM 304 CB LYS A 20 -7.587 0.973 -7.594 1.00 0.00 C ATOM 305 CG LYS A 20 -7.173 2.258 -6.853 1.00 0.00 C ATOM 306 CD LYS A 20 -7.738 3.528 -7.478 1.00 0.00 C ATOM 307 CE LYS A 20 -7.491 4.699 -6.520 1.00 0.00 C ATOM 308 NZ LYS A 20 -7.867 5.997 -7.114 1.00 0.00 N ATOM 0 H LYS A 20 -5.250 0.392 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.852 -0.029 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.359 1.051 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.661 0.809 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.505 2.194 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.085 2.324 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.262 3.720 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.805 3.413 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.061 4.542 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.438 4.721 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.682 6.758 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.306 6.161 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.878 5.988 -7.357 1.00 0.00 H new ATOM 322 N ARG A 21 -6.814 -2.500 -7.845 1.00 0.00 N ATOM 323 CA ARG A 21 -7.168 -3.915 -7.807 1.00 0.00 C ATOM 324 C ARG A 21 -6.601 -4.530 -6.530 1.00 0.00 C ATOM 325 O ARG A 21 -7.341 -5.114 -5.738 1.00 0.00 O ATOM 326 CB ARG A 21 -6.632 -4.564 -9.093 1.00 0.00 C ATOM 327 CG ARG A 21 -7.109 -5.995 -9.361 1.00 0.00 C ATOM 328 CD ARG A 21 -6.373 -7.010 -8.476 1.00 0.00 C ATOM 329 NE ARG A 21 -6.169 -8.302 -9.147 1.00 0.00 N ATOM 330 CZ ARG A 21 -5.310 -8.552 -10.142 1.00 0.00 C ATOM 331 NH1 ARG A 21 -4.551 -7.594 -10.654 1.00 0.00 N ATOM 332 NH2 ARG A 21 -5.200 -9.779 -10.625 1.00 0.00 N ATOM 0 H ARG A 21 -6.040 -2.289 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.246 -4.077 -7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.918 -3.940 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.543 -4.565 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.181 -6.062 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.948 -6.242 -10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.406 -6.599 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.941 -7.167 -7.559 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.738 -9.084 -8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.615 -6.643 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.903 -7.807 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.769 -10.532 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.546 -9.972 -11.383 1.00 0.00 H new ATOM 346 N ALA A 22 -5.286 -4.412 -6.352 1.00 0.00 N ATOM 347 CA ALA A 22 -4.492 -4.904 -5.235 1.00 0.00 C ATOM 348 C ALA A 22 -5.123 -4.507 -3.904 1.00 0.00 C ATOM 349 O ALA A 22 -5.486 -5.389 -3.141 1.00 0.00 O ATOM 350 CB ALA A 22 -3.037 -4.431 -5.341 1.00 0.00 C ATOM 0 H ALA A 22 -4.706 -3.932 -7.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.480 -5.993 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.468 -4.813 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.601 -4.802 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.007 -3.341 -5.336 1.00 0.00 H new ATOM 356 N TYR A 23 -5.308 -3.217 -3.629 1.00 0.00 N ATOM 357 CA TYR A 23 -5.962 -2.643 -2.467 1.00 0.00 C ATOM 358 C TYR A 23 -7.339 -3.243 -2.216 1.00 0.00 C ATOM 359 O TYR A 23 -7.610 -3.653 -1.088 1.00 0.00 O ATOM 360 CB TYR A 23 -5.857 -1.103 -2.663 1.00 0.00 C ATOM 361 CG TYR A 23 -7.050 -0.198 -2.482 1.00 0.00 C ATOM 362 CD1 TYR A 23 -8.117 -0.305 -3.390 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.980 0.919 -1.626 1.00 0.00 C ATOM 364 CE1 TYR A 23 -9.169 0.616 -3.381 1.00 0.00 C ATOM 365 CE2 TYR A 23 -8.022 1.858 -1.613 1.00 0.00 C ATOM 366 CZ TYR A 23 -9.123 1.691 -2.480 1.00 0.00 C ATOM 367 OH TYR A 23 -10.147 2.586 -2.473 1.00 0.00 O ATOM 0 H TYR A 23 -4.976 -2.494 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.482 -2.892 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.086 -0.749 -1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.486 -0.938 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.125 -1.112 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.125 1.052 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.004 0.502 -4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.982 2.704 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.976 3.274 -1.796 1.00 0.00 H new ATOM 377 N ARG A 24 -8.168 -3.409 -3.251 1.00 0.00 N ATOM 378 CA ARG A 24 -9.504 -3.944 -3.067 1.00 0.00 C ATOM 379 C ARG A 24 -9.394 -5.371 -2.549 1.00 0.00 C ATOM 380 O ARG A 24 -9.991 -5.684 -1.519 1.00 0.00 O ATOM 381 CB ARG A 24 -10.306 -3.841 -4.372 1.00 0.00 C ATOM 382 CG ARG A 24 -11.814 -4.038 -4.164 1.00 0.00 C ATOM 383 CD ARG A 24 -12.519 -2.783 -3.624 1.00 0.00 C ATOM 384 NE ARG A 24 -13.957 -2.789 -3.937 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.934 -3.452 -3.307 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.687 -4.245 -2.272 1.00 0.00 N ATOM 387 NH2 ARG A 24 -16.187 -3.330 -3.718 1.00 0.00 N ATOM 0 H ARG A 24 -7.932 -3.180 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.051 -3.361 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.131 -2.865 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.941 -4.588 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.271 -4.324 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.974 -4.864 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.382 -2.725 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.057 -1.893 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.244 -2.218 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.731 -4.362 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.453 -4.737 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.407 -2.731 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.932 -3.835 -3.239 1.00 0.00 H new ATOM 401 N ARG A 25 -8.631 -6.237 -3.226 1.00 0.00 N ATOM 402 CA ARG A 25 -8.503 -7.621 -2.773 1.00 0.00 C ATOM 403 C ARG A 25 -7.764 -7.708 -1.440 1.00 0.00 C ATOM 404 O ARG A 25 -8.161 -8.516 -0.606 1.00 0.00 O ATOM 405 CB ARG A 25 -7.913 -8.537 -3.861 1.00 0.00 C ATOM 406 CG ARG A 25 -6.465 -8.248 -4.290 1.00 0.00 C ATOM 407 CD ARG A 25 -6.069 -9.190 -5.430 1.00 0.00 C ATOM 408 NE ARG A 25 -4.683 -8.979 -5.891 1.00 0.00 N ATOM 409 CZ ARG A 25 -3.693 -9.882 -5.875 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.849 -11.076 -5.309 1.00 0.00 N ATOM 411 NH2 ARG A 25 -2.541 -9.571 -6.453 1.00 0.00 N ATOM 0 H ARG A 25 -8.105 -6.009 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.508 -8.001 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.965 -9.566 -3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.550 -8.472 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.371 -7.211 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.791 -8.381 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.184 -10.222 -5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.752 -9.046 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.456 -8.055 -6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.738 -11.322 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.079 -11.746 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.423 -8.660 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.773 -10.242 -6.453 1.00 0.00 H new ATOM 425 N GLN A 26 -6.729 -6.898 -1.207 1.00 0.00 N ATOM 426 CA GLN A 26 -5.914 -6.969 -0.004 1.00 0.00 C ATOM 427 C GLN A 26 -6.729 -6.611 1.227 1.00 0.00 C ATOM 428 O GLN A 26 -6.708 -7.362 2.201 1.00 0.00 O ATOM 429 CB GLN A 26 -4.724 -6.011 -0.165 1.00 0.00 C ATOM 430 CG GLN A 26 -3.590 -6.648 -0.977 1.00 0.00 C ATOM 431 CD GLN A 26 -2.710 -7.593 -0.159 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.161 -8.291 0.745 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.428 -7.624 -0.460 1.00 0.00 N ATOM 0 H GLN A 26 -6.435 -6.169 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.553 -7.988 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.056 -5.097 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.351 -5.725 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.018 -7.198 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.968 -5.858 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.067 -7.039 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.797 -8.233 0.060 1.00 0.00 H new ATOM 442 N ALA A 27 -7.480 -5.508 1.173 1.00 0.00 N ATOM 443 CA ALA A 27 -8.359 -5.133 2.262 1.00 0.00 C ATOM 444 C ALA A 27 -9.317 -6.288 2.540 1.00 0.00 C ATOM 445 O ALA A 27 -9.389 -6.768 3.665 1.00 0.00 O ATOM 446 CB ALA A 27 -9.143 -3.874 1.897 1.00 0.00 C ATOM 0 H ALA A 27 -7.491 -4.864 0.382 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.769 -4.922 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.800 -3.602 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.449 -3.057 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.741 -4.063 1.005 1.00 0.00 H new ATOM 452 N LEU A 28 -10.020 -6.788 1.517 1.00 0.00 N ATOM 453 CA LEU A 28 -11.033 -7.821 1.685 1.00 0.00 C ATOM 454 C LEU A 28 -10.442 -9.169 2.129 1.00 0.00 C ATOM 455 O LEU A 28 -11.182 -10.029 2.615 1.00 0.00 O ATOM 456 CB LEU A 28 -11.830 -7.963 0.375 1.00 0.00 C ATOM 457 CG LEU A 28 -13.327 -7.653 0.538 1.00 0.00 C ATOM 458 CD1 LEU A 28 -14.015 -7.638 -0.831 1.00 0.00 C ATOM 459 CD2 LEU A 28 -14.030 -8.671 1.438 1.00 0.00 C ATOM 0 H LEU A 28 -9.898 -6.484 0.551 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.701 -7.512 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.407 -7.294 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.715 -8.979 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.402 -6.673 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.075 -7.417 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.558 -6.873 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.902 -8.613 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.085 -8.412 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.935 -9.667 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.571 -8.660 2.427 1.00 0.00 H new ATOM 471 N ARG A 29 -9.133 -9.393 1.962 1.00 0.00 N ATOM 472 CA ARG A 29 -8.420 -10.560 2.454 1.00 0.00 C ATOM 473 C ARG A 29 -8.171 -10.482 3.967 1.00 0.00 C ATOM 474 O ARG A 29 -8.052 -11.531 4.606 1.00 0.00 O ATOM 475 CB ARG A 29 -7.104 -10.679 1.655 1.00 0.00 C ATOM 476 CG ARG A 29 -6.416 -12.011 1.951 1.00 0.00 C ATOM 477 CD ARG A 29 -5.329 -12.399 0.935 1.00 0.00 C ATOM 478 NE ARG A 29 -5.638 -13.703 0.320 1.00 0.00 N ATOM 479 CZ ARG A 29 -5.087 -14.896 0.582 1.00 0.00 C ATOM 480 NH1 ARG A 29 -4.057 -15.025 1.403 1.00 0.00 N ATOM 481 NH2 ARG A 29 -5.590 -15.981 0.007 1.00 0.00 N ATOM 0 H ARG A 29 -8.528 -8.740 1.463 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.024 -11.455 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.311 -10.599 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.439 -9.855 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.969 -11.963 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.170 -12.798 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.256 -11.634 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.359 -12.445 1.431 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.364 -13.696 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.660 -14.202 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.660 -15.947 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.386 -15.900 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.180 -16.896 0.197 1.00 0.00 H new ATOM 495 N TYR A 30 -8.093 -9.281 4.543 1.00 0.00 N ATOM 496 CA TYR A 30 -7.599 -9.061 5.902 1.00 0.00 C ATOM 497 C TYR A 30 -8.581 -8.313 6.807 1.00 0.00 C ATOM 498 O TYR A 30 -8.367 -8.312 8.014 1.00 0.00 O ATOM 499 CB TYR A 30 -6.287 -8.260 5.829 1.00 0.00 C ATOM 500 CG TYR A 30 -5.014 -9.075 5.760 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.607 -9.694 4.562 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.209 -9.167 6.903 1.00 0.00 C ATOM 503 CE1 TYR A 30 -3.416 -10.443 4.519 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.003 -9.879 6.855 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.598 -10.523 5.670 1.00 0.00 C ATOM 506 OH TYR A 30 -1.431 -11.231 5.698 1.00 0.00 O ATOM 0 H TYR A 30 -8.375 -8.422 4.071 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.454 -10.047 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.328 -7.613 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.232 -7.611 6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.211 -9.594 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.518 -8.689 7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.128 -10.954 3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.379 -9.934 7.735 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.032 -11.239 4.803 1.00 0.00 H new ATOM 516 N HIS A 31 -9.616 -7.670 6.259 1.00 0.00 N ATOM 517 CA HIS A 31 -10.463 -6.706 6.952 1.00 0.00 C ATOM 518 C HIS A 31 -10.952 -7.285 8.290 1.00 0.00 C ATOM 519 O HIS A 31 -11.738 -8.233 8.251 1.00 0.00 O ATOM 520 CB HIS A 31 -11.637 -6.318 6.044 1.00 0.00 C ATOM 521 CG HIS A 31 -12.572 -5.279 6.611 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.413 -4.527 7.760 1.00 0.00 N ATOM 523 CD2 HIS A 31 -13.731 -4.873 6.011 1.00 0.00 C ATOM 524 CE1 HIS A 31 -13.457 -3.695 7.854 1.00 0.00 C ATOM 525 NE2 HIS A 31 -14.273 -3.845 6.793 1.00 0.00 N ATOM 0 H HIS A 31 -9.893 -7.814 5.288 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.888 -5.808 7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.238 -5.948 5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.212 -7.216 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -14.152 -5.272 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.622 -3.002 8.665 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -15.121 -3.313 6.597 1.00 0.00 H new ATOM 533 N PRO A 32 -10.541 -6.733 9.450 1.00 0.00 N ATOM 534 CA PRO A 32 -10.834 -7.288 10.765 1.00 0.00 C ATOM 535 C PRO A 32 -12.323 -7.466 11.049 1.00 0.00 C ATOM 536 O PRO A 32 -12.680 -8.208 11.960 1.00 0.00 O ATOM 537 CB PRO A 32 -10.206 -6.347 11.795 1.00 0.00 C ATOM 538 CG PRO A 32 -9.185 -5.528 11.019 1.00 0.00 C ATOM 539 CD PRO A 32 -9.674 -5.580 9.580 1.00 0.00 C ATOM 0 HA PRO A 32 -10.417 -8.294 10.814 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.959 -5.706 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.731 -6.906 12.601 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.137 -4.503 11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.184 -5.948 11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.212 -4.667 9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.832 -5.656 8.892 1.00 0.00 H new ATOM 547 N ASP A 33 -13.202 -6.793 10.305 1.00 0.00 N ATOM 548 CA ASP A 33 -14.643 -6.893 10.492 1.00 0.00 C ATOM 549 C ASP A 33 -15.247 -8.106 9.761 1.00 0.00 C ATOM 550 O ASP A 33 -16.446 -8.367 9.863 1.00 0.00 O ATOM 551 CB ASP A 33 -15.310 -5.602 10.003 1.00 0.00 C ATOM 552 CG ASP A 33 -16.750 -5.459 10.492 1.00 0.00 C ATOM 553 OD1 ASP A 33 -17.058 -5.871 11.631 1.00 0.00 O ATOM 554 OD2 ASP A 33 -17.556 -4.807 9.791 1.00 0.00 O ATOM 0 H ASP A 33 -12.929 -6.161 9.553 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.830 -7.035 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.728 -4.746 10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.297 -5.582 8.913 1.00 0.00 H new ATOM 559 N LYS A 34 -14.440 -8.841 8.987 1.00 0.00 N ATOM 560 CA LYS A 34 -14.841 -9.981 8.154 1.00 0.00 C ATOM 561 C LYS A 34 -13.813 -11.122 8.214 1.00 0.00 C ATOM 562 O LYS A 34 -14.152 -12.266 7.905 1.00 0.00 O ATOM 563 CB LYS A 34 -15.097 -9.447 6.726 1.00 0.00 C ATOM 564 CG LYS A 34 -15.201 -10.494 5.601 1.00 0.00 C ATOM 565 CD LYS A 34 -13.859 -10.673 4.871 1.00 0.00 C ATOM 566 CE LYS A 34 -13.818 -11.836 3.869 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.973 -11.887 2.944 1.00 0.00 N ATOM 0 H LYS A 34 -13.441 -8.648 8.921 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.760 -10.431 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.022 -8.870 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.294 -8.755 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.519 -11.449 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.966 -10.188 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.623 -9.749 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.076 -10.825 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.902 -11.763 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.769 -12.774 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.860 -12.689 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.850 -12.006 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.021 -11.002 2.400 1.00 0.00 H new ATOM 581 N ASN A 35 -12.573 -10.846 8.611 1.00 0.00 N ATOM 582 CA ASN A 35 -11.517 -11.805 8.884 1.00 0.00 C ATOM 583 C ASN A 35 -10.766 -11.270 10.090 1.00 0.00 C ATOM 584 O ASN A 35 -9.950 -10.366 9.925 1.00 0.00 O ATOM 585 CB ASN A 35 -10.532 -11.933 7.703 1.00 0.00 C ATOM 586 CG ASN A 35 -9.455 -12.975 7.967 1.00 0.00 C ATOM 587 OD1 ASN A 35 -9.557 -13.805 8.864 1.00 0.00 O ATOM 588 ND2 ASN A 35 -8.411 -12.986 7.163 1.00 0.00 N ATOM 0 H ASN A 35 -12.264 -9.885 8.758 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.948 -12.792 9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.081 -12.201 6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.063 -10.967 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.681 -13.688 7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.333 -12.293 6.419 1.00 0.00 H new ATOM 595 N LYS A 36 -10.984 -11.814 11.288 1.00 0.00 N ATOM 596 CA LYS A 36 -10.131 -11.460 12.415 1.00 0.00 C ATOM 597 C LYS A 36 -8.910 -12.349 12.293 1.00 0.00 C ATOM 598 O LYS A 36 -8.787 -13.367 12.969 1.00 0.00 O ATOM 599 CB LYS A 36 -10.837 -11.607 13.759 1.00 0.00 C ATOM 600 CG LYS A 36 -11.743 -10.404 14.049 1.00 0.00 C ATOM 601 CD LYS A 36 -12.103 -10.269 15.531 1.00 0.00 C ATOM 602 CE LYS A 36 -10.878 -9.904 16.380 1.00 0.00 C ATOM 603 NZ LYS A 36 -11.159 -9.868 17.826 1.00 0.00 N ATOM 0 H LYS A 36 -11.724 -12.484 11.497 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.855 -10.406 12.384 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.431 -12.521 13.762 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.096 -11.706 14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.245 -9.493 13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.659 -10.497 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.870 -9.504 15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.528 -11.206 15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.084 -10.627 16.189 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.504 -8.930 16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.292 -9.616 18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.895 -9.159 18.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.488 -10.803 18.139 1.00 0.00 H new ATOM 617 N GLU A 37 -8.057 -11.978 11.348 1.00 0.00 N ATOM 618 CA GLU A 37 -6.859 -12.685 10.962 1.00 0.00 C ATOM 619 C GLU A 37 -5.896 -12.565 12.171 1.00 0.00 C ATOM 620 O GLU A 37 -5.513 -11.442 12.529 1.00 0.00 O ATOM 621 CB GLU A 37 -6.379 -12.059 9.638 1.00 0.00 C ATOM 622 CG GLU A 37 -5.647 -12.997 8.671 1.00 0.00 C ATOM 623 CD GLU A 37 -4.249 -13.418 9.106 1.00 0.00 C ATOM 624 OE1 GLU A 37 -4.115 -14.022 10.186 1.00 0.00 O ATOM 625 OE2 GLU A 37 -3.293 -13.298 8.302 1.00 0.00 O ATOM 0 H GLU A 37 -8.197 -11.127 10.804 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.971 -13.749 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.245 -11.643 9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.717 -11.225 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.252 -13.893 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.575 -12.507 7.700 1.00 0.00 H new ATOM 632 N PRO A 38 -5.618 -13.642 12.930 1.00 0.00 N ATOM 633 CA PRO A 38 -4.967 -13.532 14.233 1.00 0.00 C ATOM 634 C PRO A 38 -3.493 -13.138 14.094 1.00 0.00 C ATOM 635 O PRO A 38 -2.716 -13.817 13.419 1.00 0.00 O ATOM 636 CB PRO A 38 -5.143 -14.892 14.905 1.00 0.00 C ATOM 637 CG PRO A 38 -5.306 -15.853 13.732 1.00 0.00 C ATOM 638 CD PRO A 38 -6.006 -15.018 12.665 1.00 0.00 C ATOM 0 HA PRO A 38 -5.414 -12.743 14.837 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.280 -15.151 15.518 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.015 -14.906 15.559 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.342 -16.222 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.899 -16.724 14.009 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.702 -15.325 11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.088 -15.138 12.720 1.00 0.00 H new ATOM 646 N GLY A 39 -3.103 -12.041 14.747 1.00 0.00 N ATOM 647 CA GLY A 39 -1.757 -11.478 14.686 1.00 0.00 C ATOM 648 C GLY A 39 -1.561 -10.539 13.491 1.00 0.00 C ATOM 649 O GLY A 39 -0.649 -9.710 13.498 1.00 0.00 O ATOM 0 H GLY A 39 -3.732 -11.508 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.554 -10.933 15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.031 -12.289 14.628 1.00 0.00 H new ATOM 653 N ALA A 40 -2.452 -10.586 12.498 1.00 0.00 N ATOM 654 CA ALA A 40 -2.498 -9.653 11.380 1.00 0.00 C ATOM 655 C ALA A 40 -2.886 -8.238 11.807 1.00 0.00 C ATOM 656 O ALA A 40 -2.881 -7.353 10.961 1.00 0.00 O ATOM 657 CB ALA A 40 -3.551 -10.121 10.400 1.00 0.00 C ATOM 0 H ALA A 40 -3.182 -11.297 12.452 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.499 -9.627 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.596 -9.431 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.296 -11.118 10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.521 -10.152 10.896 1.00 0.00 H new ATOM 663 N GLU A 41 -3.228 -7.983 13.072 1.00 0.00 N ATOM 664 CA GLU A 41 -3.635 -6.656 13.507 1.00 0.00 C ATOM 665 C GLU A 41 -2.473 -5.657 13.350 1.00 0.00 C ATOM 666 O GLU A 41 -2.688 -4.453 13.219 1.00 0.00 O ATOM 667 CB GLU A 41 -4.114 -6.742 14.962 1.00 0.00 C ATOM 668 CG GLU A 41 -5.171 -5.671 15.281 1.00 0.00 C ATOM 669 CD GLU A 41 -6.603 -6.079 14.893 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.797 -7.081 14.167 1.00 0.00 O ATOM 671 OE2 GLU A 41 -7.559 -5.390 15.335 1.00 0.00 O ATOM 0 H GLU A 41 -3.229 -8.685 13.812 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.454 -6.293 12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.531 -7.731 15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.263 -6.623 15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.142 -5.451 16.348 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.911 -4.750 14.759 1.00 0.00 H new ATOM 678 N GLU A 42 -1.226 -6.145 13.324 1.00 0.00 N ATOM 679 CA GLU A 42 -0.081 -5.339 12.924 1.00 0.00 C ATOM 680 C GLU A 42 -0.053 -5.193 11.400 1.00 0.00 C ATOM 681 O GLU A 42 0.020 -4.085 10.874 1.00 0.00 O ATOM 682 CB GLU A 42 1.181 -6.044 13.444 1.00 0.00 C ATOM 683 CG GLU A 42 2.452 -5.189 13.354 1.00 0.00 C ATOM 684 CD GLU A 42 3.085 -5.086 11.966 1.00 0.00 C ATOM 685 OE1 GLU A 42 3.220 -6.125 11.276 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.569 -3.978 11.644 1.00 0.00 O ATOM 0 H GLU A 42 -0.990 -7.104 13.579 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.140 -4.334 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.022 -6.333 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.332 -6.963 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.216 -4.183 13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.192 -5.598 14.041 1.00 0.00 H new ATOM 693 N LYS A 43 -0.236 -6.302 10.685 1.00 0.00 N ATOM 694 CA LYS A 43 0.013 -6.405 9.255 1.00 0.00 C ATOM 695 C LYS A 43 -1.010 -5.660 8.420 1.00 0.00 C ATOM 696 O LYS A 43 -0.659 -5.077 7.404 1.00 0.00 O ATOM 697 CB LYS A 43 0.046 -7.881 8.844 1.00 0.00 C ATOM 698 CG LYS A 43 1.222 -8.103 7.890 1.00 0.00 C ATOM 699 CD LYS A 43 1.493 -9.582 7.605 1.00 0.00 C ATOM 700 CE LYS A 43 2.814 -9.722 6.843 1.00 0.00 C ATOM 701 NZ LYS A 43 3.995 -9.508 7.707 1.00 0.00 N ATOM 0 H LYS A 43 -0.570 -7.173 11.098 1.00 0.00 H new ATOM 0 HA LYS A 43 0.978 -5.936 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.150 -8.515 9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.890 -8.159 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.022 -7.589 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.118 -7.651 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.539 -10.141 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.677 -10.006 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.869 -10.716 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.834 -9.004 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.855 -9.794 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.062 -8.502 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.900 -10.078 8.572 1.00 0.00 H new ATOM 715 N PHE A 44 -2.273 -5.703 8.819 1.00 0.00 N ATOM 716 CA PHE A 44 -3.371 -4.938 8.243 1.00 0.00 C ATOM 717 C PHE A 44 -3.178 -3.449 8.509 1.00 0.00 C ATOM 718 O PHE A 44 -3.456 -2.614 7.657 1.00 0.00 O ATOM 719 CB PHE A 44 -4.701 -5.391 8.847 1.00 0.00 C ATOM 720 CG PHE A 44 -5.917 -4.696 8.253 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.257 -4.900 6.901 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.702 -3.829 9.039 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.404 -4.298 6.355 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.832 -3.200 8.482 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.197 -3.454 7.150 1.00 0.00 C ATOM 0 H PHE A 44 -2.575 -6.300 9.589 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.383 -5.111 7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.805 -6.467 8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.681 -5.211 9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.632 -5.524 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.437 -3.647 10.070 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.675 -4.484 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.420 -2.520 9.081 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.086 -3.001 6.737 1.00 0.00 H new ATOM 735 N LYS A 45 -2.780 -3.062 9.718 1.00 0.00 N ATOM 736 CA LYS A 45 -2.405 -1.671 9.953 1.00 0.00 C ATOM 737 C LYS A 45 -1.220 -1.265 9.061 1.00 0.00 C ATOM 738 O LYS A 45 -1.166 -0.114 8.631 1.00 0.00 O ATOM 739 CB LYS A 45 -2.190 -1.427 11.449 1.00 0.00 C ATOM 740 CG LYS A 45 -3.550 -1.417 12.186 1.00 0.00 C ATOM 741 CD LYS A 45 -4.063 -0.006 12.503 1.00 0.00 C ATOM 742 CE LYS A 45 -3.224 0.733 13.553 1.00 0.00 C ATOM 743 NZ LYS A 45 -3.131 0.000 14.834 1.00 0.00 N ATOM 0 H LYS A 45 -2.710 -3.674 10.531 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.221 -1.011 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.548 -2.204 11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.678 -0.477 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.289 -1.935 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.455 -1.978 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.078 0.580 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.092 -0.074 12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.221 0.896 13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.660 1.716 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.733 0.625 15.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.079 -0.312 15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.515 -0.830 14.715 1.00 0.00 H new ATOM 757 N GLU A 46 -0.348 -2.202 8.690 1.00 0.00 N ATOM 758 CA GLU A 46 0.728 -1.984 7.723 1.00 0.00 C ATOM 759 C GLU A 46 0.153 -1.913 6.299 1.00 0.00 C ATOM 760 O GLU A 46 0.650 -1.130 5.491 1.00 0.00 O ATOM 761 CB GLU A 46 1.779 -3.094 7.867 1.00 0.00 C ATOM 762 CG GLU A 46 3.200 -2.578 8.146 1.00 0.00 C ATOM 763 CD GLU A 46 4.165 -2.598 6.958 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.515 -3.718 6.508 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.706 -1.528 6.595 1.00 0.00 O ATOM 0 H GLU A 46 -0.370 -3.152 9.060 1.00 0.00 H new ATOM 0 HA GLU A 46 1.218 -1.031 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.480 -3.760 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.792 -3.688 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.128 -1.554 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.631 -3.175 8.949 1.00 0.00 H new ATOM 772 N ILE A 47 -0.911 -2.681 5.996 1.00 0.00 N ATOM 773 CA ILE A 47 -1.695 -2.546 4.764 1.00 0.00 C ATOM 774 C ILE A 47 -2.116 -1.098 4.700 1.00 0.00 C ATOM 775 O ILE A 47 -1.737 -0.445 3.743 1.00 0.00 O ATOM 776 CB ILE A 47 -2.922 -3.499 4.645 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.484 -4.960 4.516 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.921 -3.107 3.535 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.106 -5.373 3.104 1.00 0.00 C ATOM 0 H ILE A 47 -1.250 -3.421 6.611 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.073 -2.845 3.920 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.471 -3.385 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.632 -5.132 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.292 -5.602 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.745 -3.820 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.310 -2.108 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.414 -3.116 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.808 -6.421 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.962 -5.236 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.276 -4.758 2.755 1.00 0.00 H new ATOM 791 N ALA A 48 -2.833 -0.595 5.712 1.00 0.00 N ATOM 792 CA ALA A 48 -3.383 0.754 5.756 1.00 0.00 C ATOM 793 C ALA A 48 -2.300 1.798 5.530 1.00 0.00 C ATOM 794 O ALA A 48 -2.519 2.791 4.840 1.00 0.00 O ATOM 795 CB ALA A 48 -4.038 1.003 7.108 1.00 0.00 C ATOM 0 H ALA A 48 -3.050 -1.138 6.548 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.123 0.839 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.447 2.013 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.841 0.282 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.295 0.892 7.898 1.00 0.00 H new ATOM 801 N GLU A 49 -1.123 1.558 6.102 1.00 0.00 N ATOM 802 CA GLU A 49 -0.019 2.487 6.014 1.00 0.00 C ATOM 803 C GLU A 49 0.429 2.649 4.560 1.00 0.00 C ATOM 804 O GLU A 49 0.659 3.779 4.120 1.00 0.00 O ATOM 805 CB GLU A 49 1.114 2.050 6.957 1.00 0.00 C ATOM 806 CG GLU A 49 2.098 3.202 7.202 1.00 0.00 C ATOM 807 CD GLU A 49 3.269 2.854 8.125 1.00 0.00 C ATOM 808 OE1 GLU A 49 3.163 1.961 8.999 1.00 0.00 O ATOM 809 OE2 GLU A 49 4.327 3.511 7.989 1.00 0.00 O ATOM 0 H GLU A 49 -0.916 0.714 6.636 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.339 3.475 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.694 1.717 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.643 1.200 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.495 3.534 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.553 4.043 7.630 1.00 0.00 H new ATOM 816 N ALA A 50 0.490 1.546 3.806 1.00 0.00 N ATOM 817 CA ALA A 50 0.733 1.571 2.372 1.00 0.00 C ATOM 818 C ALA A 50 -0.520 1.959 1.573 1.00 0.00 C ATOM 819 O ALA A 50 -0.389 2.523 0.492 1.00 0.00 O ATOM 820 CB ALA A 50 1.247 0.199 1.923 1.00 0.00 C ATOM 0 H ALA A 50 0.370 0.606 4.184 1.00 0.00 H new ATOM 0 HA ALA A 50 1.483 2.336 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.431 0.213 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.175 -0.031 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.502 -0.562 2.154 1.00 0.00 H new ATOM 826 N TYR A 51 -1.715 1.656 2.079 1.00 0.00 N ATOM 827 CA TYR A 51 -3.023 1.871 1.461 1.00 0.00 C ATOM 828 C TYR A 51 -3.211 3.364 1.251 1.00 0.00 C ATOM 829 O TYR A 51 -3.570 3.780 0.149 1.00 0.00 O ATOM 830 CB TYR A 51 -4.116 1.314 2.390 1.00 0.00 C ATOM 831 CG TYR A 51 -5.422 0.841 1.799 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.508 -0.470 1.298 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.585 1.619 1.938 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.748 -1.009 0.918 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.831 1.081 1.574 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.920 -0.231 1.054 1.00 0.00 C ATOM 837 OH TYR A 51 -9.141 -0.740 0.750 1.00 0.00 O ATOM 0 H TYR A 51 -1.800 1.222 2.998 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.088 1.359 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.683 0.477 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.349 2.088 3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.613 -1.067 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.521 2.626 2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.806 -2.013 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.726 1.673 1.692 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.828 -0.059 0.907 1.00 0.00 H new ATOM 847 N ASP A 52 -2.908 4.148 2.293 1.00 0.00 N ATOM 848 CA ASP A 52 -2.861 5.600 2.264 1.00 0.00 C ATOM 849 C ASP A 52 -1.982 6.042 1.104 1.00 0.00 C ATOM 850 O ASP A 52 -2.479 6.615 0.137 1.00 0.00 O ATOM 851 CB ASP A 52 -2.318 6.128 3.595 1.00 0.00 C ATOM 852 CG ASP A 52 -2.139 7.645 3.558 1.00 0.00 C ATOM 853 OD1 ASP A 52 -1.054 8.134 3.171 1.00 0.00 O ATOM 854 OD2 ASP A 52 -3.067 8.360 3.996 1.00 0.00 O ATOM 0 H ASP A 52 -2.681 3.765 3.211 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.863 6.005 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.001 5.860 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.362 5.652 3.815 1.00 0.00 H new ATOM 859 N VAL A 53 -0.706 5.662 1.141 1.00 0.00 N ATOM 860 CA VAL A 53 0.316 6.183 0.252 1.00 0.00 C ATOM 861 C VAL A 53 0.010 5.821 -1.192 1.00 0.00 C ATOM 862 O VAL A 53 0.156 6.648 -2.087 1.00 0.00 O ATOM 863 CB VAL A 53 1.671 5.588 0.680 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.745 5.804 -0.395 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.080 6.191 2.026 1.00 0.00 C ATOM 0 H VAL A 53 -0.353 4.971 1.803 1.00 0.00 H new ATOM 0 HA VAL A 53 0.345 7.271 0.318 1.00 0.00 H new ATOM 0 HB VAL A 53 1.569 4.509 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.688 5.372 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.434 5.322 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.877 6.872 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.039 5.774 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.169 7.273 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.324 5.956 2.775 1.00 0.00 H new ATOM 875 N LEU A 54 -0.374 4.577 -1.445 1.00 0.00 N ATOM 876 CA LEU A 54 -0.587 4.111 -2.791 1.00 0.00 C ATOM 877 C LEU A 54 -1.914 4.643 -3.335 1.00 0.00 C ATOM 878 O LEU A 54 -2.056 4.753 -4.552 1.00 0.00 O ATOM 879 CB LEU A 54 -0.470 2.585 -2.786 1.00 0.00 C ATOM 880 CG LEU A 54 0.987 2.097 -2.645 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.040 0.648 -2.159 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.713 2.191 -3.994 1.00 0.00 C ATOM 0 H LEU A 54 -0.543 3.875 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 54 0.170 4.494 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.064 2.182 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.893 2.190 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 54 1.477 2.737 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.079 0.332 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.552 0.572 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.526 0.005 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.740 1.844 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.199 1.570 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.716 3.227 -4.334 1.00 0.00 H new ATOM 894 N SER A 55 -2.857 5.059 -2.481 1.00 0.00 N ATOM 895 CA SER A 55 -4.003 5.832 -2.938 1.00 0.00 C ATOM 896 C SER A 55 -3.601 7.286 -3.224 1.00 0.00 C ATOM 897 O SER A 55 -4.187 7.915 -4.109 1.00 0.00 O ATOM 898 CB SER A 55 -5.164 5.726 -1.940 1.00 0.00 C ATOM 899 OG SER A 55 -4.987 6.449 -0.733 1.00 0.00 O ATOM 0 H SER A 55 -2.844 4.872 -1.478 1.00 0.00 H new ATOM 0 HA SER A 55 -4.357 5.412 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.074 6.078 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.319 4.675 -1.697 1.00 0.00 H new ATOM 0 HG SER A 55 -4.111 6.235 -0.349 1.00 0.00 H new ATOM 905 N ASP A 56 -2.592 7.812 -2.527 1.00 0.00 N ATOM 906 CA ASP A 56 -2.305 9.233 -2.392 1.00 0.00 C ATOM 907 C ASP A 56 -0.972 9.595 -3.062 1.00 0.00 C ATOM 908 O ASP A 56 0.088 9.563 -2.422 1.00 0.00 O ATOM 909 CB ASP A 56 -2.307 9.618 -0.907 1.00 0.00 C ATOM 910 CG ASP A 56 -1.915 11.076 -0.682 1.00 0.00 C ATOM 911 OD1 ASP A 56 -1.926 11.879 -1.644 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.632 11.432 0.482 1.00 0.00 O ATOM 0 H ASP A 56 -1.926 7.229 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.083 9.801 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.299 9.443 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.616 8.971 -0.366 1.00 0.00 H new ATOM 917 N PRO A 57 -0.987 9.984 -4.349 1.00 0.00 N ATOM 918 CA PRO A 57 0.234 10.276 -5.079 1.00 0.00 C ATOM 919 C PRO A 57 0.950 11.510 -4.531 1.00 0.00 C ATOM 920 O PRO A 57 2.143 11.643 -4.772 1.00 0.00 O ATOM 921 CB PRO A 57 -0.190 10.476 -6.532 1.00 0.00 C ATOM 922 CG PRO A 57 -1.603 11.020 -6.395 1.00 0.00 C ATOM 923 CD PRO A 57 -2.146 10.254 -5.190 1.00 0.00 C ATOM 0 HA PRO A 57 0.952 9.462 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.465 11.175 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.168 9.541 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.607 12.097 -6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.196 10.837 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.892 10.842 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.631 9.328 -5.499 1.00 0.00 H new ATOM 931 N ARG A 58 0.287 12.394 -3.772 1.00 0.00 N ATOM 932 CA ARG A 58 0.954 13.542 -3.153 1.00 0.00 C ATOM 933 C ARG A 58 1.916 13.050 -2.077 1.00 0.00 C ATOM 934 O ARG A 58 3.025 13.570 -1.955 1.00 0.00 O ATOM 935 CB ARG A 58 -0.073 14.520 -2.573 1.00 0.00 C ATOM 936 CG ARG A 58 -1.015 15.103 -3.637 1.00 0.00 C ATOM 937 CD ARG A 58 -0.381 16.208 -4.498 1.00 0.00 C ATOM 938 NE ARG A 58 -0.103 17.433 -3.733 1.00 0.00 N ATOM 939 CZ ARG A 58 -0.999 18.281 -3.207 1.00 0.00 C ATOM 940 NH1 ARG A 58 -2.309 18.104 -3.365 1.00 0.00 N ATOM 941 NH2 ARG A 58 -0.572 19.315 -2.497 1.00 0.00 N ATOM 0 H ARG A 58 -0.712 12.333 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 58 1.522 14.079 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.664 14.009 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.451 15.335 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.352 14.297 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.900 15.505 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.547 15.837 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.048 16.445 -5.327 1.00 0.00 H new ATOM 0 HE ARG A 58 0.880 17.663 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.655 17.306 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.966 18.766 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.428 19.459 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.243 19.967 -2.092 1.00 0.00 H new ATOM 955 N LYS A 59 1.555 11.992 -1.344 1.00 0.00 N ATOM 956 CA LYS A 59 2.469 11.378 -0.385 1.00 0.00 C ATOM 957 C LYS A 59 3.512 10.612 -1.183 1.00 0.00 C ATOM 958 O LYS A 59 4.710 10.754 -0.927 1.00 0.00 O ATOM 959 CB LYS A 59 1.690 10.442 0.556 1.00 0.00 C ATOM 960 CG LYS A 59 2.403 10.115 1.874 1.00 0.00 C ATOM 961 CD LYS A 59 3.735 9.346 1.792 1.00 0.00 C ATOM 962 CE LYS A 59 4.941 10.220 2.159 1.00 0.00 C ATOM 963 NZ LYS A 59 5.029 10.402 3.624 1.00 0.00 N ATOM 0 H LYS A 59 0.639 11.547 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 59 2.955 12.131 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.727 10.899 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.484 9.510 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.588 11.053 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.718 9.535 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.696 8.486 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.865 8.958 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.857 9.758 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.854 11.191 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.852 10.996 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.163 10.863 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.134 9.475 4.083 1.00 0.00 H new ATOM 977 N ARG A 60 3.073 9.790 -2.142 1.00 0.00 N ATOM 978 CA ARG A 60 3.961 8.988 -2.955 1.00 0.00 C ATOM 979 C ARG A 60 4.949 9.814 -3.770 1.00 0.00 C ATOM 980 O ARG A 60 5.926 9.241 -4.218 1.00 0.00 O ATOM 981 CB ARG A 60 3.131 8.064 -3.862 1.00 0.00 C ATOM 982 CG ARG A 60 3.820 6.703 -3.920 1.00 0.00 C ATOM 983 CD ARG A 60 3.042 5.655 -4.710 1.00 0.00 C ATOM 984 NE ARG A 60 3.065 5.928 -6.155 1.00 0.00 N ATOM 985 CZ ARG A 60 2.798 5.046 -7.123 1.00 0.00 C ATOM 986 NH1 ARG A 60 2.579 3.768 -6.831 1.00 0.00 N ATOM 987 NH2 ARG A 60 2.739 5.444 -8.382 1.00 0.00 N ATOM 0 H ARG A 60 2.086 9.670 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 60 4.570 8.390 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.118 7.960 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.047 8.490 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.807 6.824 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.973 6.340 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.466 4.669 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.009 5.631 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 60 3.306 6.876 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.614 3.453 -5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.376 3.102 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.897 6.424 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.535 4.771 -9.121 1.00 0.00 H new ATOM 1001 N GLU A 61 4.777 11.122 -3.926 1.00 0.00 N ATOM 1002 CA GLU A 61 5.591 11.980 -4.777 1.00 0.00 C ATOM 1003 C GLU A 61 7.063 12.016 -4.331 1.00 0.00 C ATOM 1004 O GLU A 61 7.962 12.249 -5.139 1.00 0.00 O ATOM 1005 CB GLU A 61 4.950 13.379 -4.718 1.00 0.00 C ATOM 1006 CG GLU A 61 5.004 14.165 -6.029 1.00 0.00 C ATOM 1007 CD GLU A 61 3.796 15.105 -6.122 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.704 16.055 -5.312 1.00 0.00 O ATOM 1009 OE2 GLU A 61 2.925 14.896 -7.001 1.00 0.00 O ATOM 0 H GLU A 61 4.037 11.633 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 61 5.611 11.596 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.908 13.273 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.449 13.959 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.929 14.740 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.008 13.478 -6.875 1.00 0.00 H new ATOM 1016 N ILE A 62 7.329 11.756 -3.049 1.00 0.00 N ATOM 1017 CA ILE A 62 8.673 11.564 -2.507 1.00 0.00 C ATOM 1018 C ILE A 62 9.186 10.190 -2.953 1.00 0.00 C ATOM 1019 O ILE A 62 10.307 10.053 -3.441 1.00 0.00 O ATOM 1020 CB ILE A 62 8.617 11.699 -0.963 1.00 0.00 C ATOM 1021 CG1 ILE A 62 8.139 13.125 -0.605 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.971 11.376 -0.303 1.00 0.00 C ATOM 1023 CD1 ILE A 62 8.174 13.460 0.888 1.00 0.00 C ATOM 0 H ILE A 62 6.597 11.671 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 62 9.365 12.320 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 62 7.909 10.968 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.759 13.845 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.119 13.252 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.884 11.484 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.258 10.352 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.731 12.063 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.821 14.480 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.530 12.768 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.196 13.370 1.257 1.00 0.00 H new ATOM 1035 N PHE A 63 8.372 9.153 -2.773 1.00 0.00 N ATOM 1036 CA PHE A 63 8.737 7.784 -3.090 1.00 0.00 C ATOM 1037 C PHE A 63 9.005 7.626 -4.591 1.00 0.00 C ATOM 1038 O PHE A 63 10.021 7.059 -4.964 1.00 0.00 O ATOM 1039 CB PHE A 63 7.634 6.853 -2.583 1.00 0.00 C ATOM 1040 CG PHE A 63 8.036 5.400 -2.592 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.978 4.654 -3.783 1.00 0.00 C ATOM 1042 CD2 PHE A 63 8.505 4.803 -1.409 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.354 3.303 -3.779 1.00 0.00 C ATOM 1044 CE2 PHE A 63 8.878 3.453 -1.409 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.764 2.690 -2.585 1.00 0.00 C ATOM 0 H PHE A 63 7.428 9.246 -2.397 1.00 0.00 H new ATOM 0 HA PHE A 63 9.667 7.514 -2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.361 7.142 -1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.745 6.982 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.645 5.120 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.578 5.384 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.328 2.733 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.254 2.997 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.992 1.634 -2.569 1.00 0.00 H new ATOM 1055 N ASP A 64 8.151 8.186 -5.447 1.00 0.00 N ATOM 1056 CA ASP A 64 8.228 8.163 -6.911 1.00 0.00 C ATOM 1057 C ASP A 64 9.435 8.928 -7.471 1.00 0.00 C ATOM 1058 O ASP A 64 9.649 9.009 -8.682 1.00 0.00 O ATOM 1059 CB ASP A 64 6.922 8.718 -7.504 1.00 0.00 C ATOM 1060 CG ASP A 64 6.764 8.353 -8.985 1.00 0.00 C ATOM 1061 OD1 ASP A 64 6.912 7.158 -9.348 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.469 9.269 -9.791 1.00 0.00 O ATOM 0 H ASP A 64 7.334 8.701 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 64 8.365 7.123 -7.206 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.074 8.328 -6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.906 9.802 -7.394 1.00 0.00 H new ATOM 1067 N ARG A 65 10.203 9.571 -6.594 1.00 0.00 N ATOM 1068 CA ARG A 65 11.354 10.408 -6.904 1.00 0.00 C ATOM 1069 C ARG A 65 12.607 9.715 -6.406 1.00 0.00 C ATOM 1070 O ARG A 65 13.577 9.577 -7.151 1.00 0.00 O ATOM 1071 CB ARG A 65 11.087 11.774 -6.280 1.00 0.00 C ATOM 1072 CG ARG A 65 12.280 12.678 -5.953 1.00 0.00 C ATOM 1073 CD ARG A 65 11.772 14.054 -5.486 1.00 0.00 C ATOM 1074 NE ARG A 65 11.318 14.886 -6.614 1.00 0.00 N ATOM 1075 CZ ARG A 65 10.086 15.028 -7.126 1.00 0.00 C ATOM 1076 NH1 ARG A 65 9.020 14.403 -6.630 1.00 0.00 N ATOM 1077 NH2 ARG A 65 9.909 15.794 -8.195 1.00 0.00 N ATOM 0 H ARG A 65 10.026 9.517 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 65 11.510 10.561 -7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.431 12.323 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.531 11.613 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.892 12.222 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.914 12.792 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.951 13.918 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.568 14.572 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 65 12.046 15.434 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.120 13.784 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.103 14.543 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.706 16.268 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.976 15.908 -8.592 1.00 0.00 H new ATOM 1091 N TYR A 66 12.581 9.250 -5.165 1.00 0.00 N ATOM 1092 CA TYR A 66 13.660 8.441 -4.625 1.00 0.00 C ATOM 1093 C TYR A 66 13.404 6.971 -4.961 1.00 0.00 C ATOM 1094 O TYR A 66 13.845 6.515 -6.017 1.00 0.00 O ATOM 1095 CB TYR A 66 13.875 8.758 -3.150 1.00 0.00 C ATOM 1096 CG TYR A 66 14.083 10.235 -2.899 1.00 0.00 C ATOM 1097 CD1 TYR A 66 15.240 10.878 -3.377 1.00 0.00 C ATOM 1098 CD2 TYR A 66 13.072 10.986 -2.279 1.00 0.00 C ATOM 1099 CE1 TYR A 66 15.378 12.270 -3.250 1.00 0.00 C ATOM 1100 CE2 TYR A 66 13.191 12.378 -2.172 1.00 0.00 C ATOM 1101 CZ TYR A 66 14.347 13.029 -2.648 1.00 0.00 C ATOM 1102 OH TYR A 66 14.435 14.381 -2.531 1.00 0.00 O ATOM 0 H TYR A 66 11.818 9.422 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 66 14.614 8.684 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 66 13.013 8.414 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.741 8.205 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.024 10.299 -3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 66 12.199 10.489 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.270 12.760 -3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 66 12.395 12.954 -1.724 1.00 0.00 H new ATOM 0 HH TYR A 66 13.629 14.724 -2.092 1.00 0.00 H new ATOM 1112 N GLY A 67 12.644 6.255 -4.131 1.00 0.00 N ATOM 1113 CA GLY A 67 12.209 4.887 -4.390 1.00 0.00 C ATOM 1114 C GLY A 67 13.115 3.911 -3.655 1.00 0.00 C ATOM 1115 O GLY A 67 14.136 3.493 -4.196 1.00 0.00 O ATOM 0 H GLY A 67 12.308 6.621 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.177 4.756 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.233 4.684 -5.461 1.00 0.00 H new ATOM 1119 N GLU A 68 12.721 3.570 -2.425 1.00 0.00 N ATOM 1120 CA GLU A 68 13.386 2.733 -1.432 1.00 0.00 C ATOM 1121 C GLU A 68 14.555 3.457 -0.759 1.00 0.00 C ATOM 1122 O GLU A 68 15.391 4.065 -1.432 1.00 0.00 O ATOM 1123 CB GLU A 68 13.778 1.380 -2.029 1.00 0.00 C ATOM 1124 CG GLU A 68 14.177 0.362 -0.954 1.00 0.00 C ATOM 1125 CD GLU A 68 15.628 -0.079 -1.043 1.00 0.00 C ATOM 1126 OE1 GLU A 68 16.512 0.611 -0.495 1.00 0.00 O ATOM 1127 OE2 GLU A 68 15.881 -1.186 -1.574 1.00 0.00 O ATOM 0 H GLU A 68 11.830 3.913 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 68 12.673 2.528 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.943 0.985 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.608 1.518 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.997 0.796 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.534 -0.514 -1.038 1.00 0.00 H new ATOM 1134 N GLU A 69 14.577 3.409 0.579 1.00 0.00 N ATOM 1135 CA GLU A 69 15.378 4.165 1.551 1.00 0.00 C ATOM 1136 C GLU A 69 15.160 5.680 1.482 1.00 0.00 C ATOM 1137 O GLU A 69 15.042 6.319 2.523 1.00 0.00 O ATOM 1138 CB GLU A 69 16.855 3.755 1.488 1.00 0.00 C ATOM 1139 CG GLU A 69 17.684 4.313 2.657 1.00 0.00 C ATOM 1140 CD GLU A 69 18.170 5.763 2.495 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.262 6.300 1.369 1.00 0.00 O ATOM 1142 OE2 GLU A 69 18.535 6.399 3.514 1.00 0.00 O ATOM 0 H GLU A 69 13.958 2.760 1.065 1.00 0.00 H new ATOM 0 HA GLU A 69 15.014 3.891 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.925 2.667 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.283 4.103 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.086 4.249 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.553 3.671 2.801 1.00 0.00 H new ATOM 1149 N GLY A 70 15.018 6.231 0.281 1.00 0.00 N ATOM 1150 CA GLY A 70 14.614 7.587 -0.036 1.00 0.00 C ATOM 1151 C GLY A 70 13.622 8.199 0.935 1.00 0.00 C ATOM 1152 O GLY A 70 13.857 9.285 1.464 1.00 0.00 O ATOM 0 H GLY A 70 15.199 5.690 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.503 8.217 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.177 7.597 -1.034 1.00 0.00 H new ATOM 1156 N LEU A 71 12.491 7.513 1.112 1.00 0.00 N ATOM 1157 CA LEU A 71 11.432 7.956 1.998 1.00 0.00 C ATOM 1158 C LEU A 71 11.882 7.678 3.434 1.00 0.00 C ATOM 1159 O LEU A 71 11.773 6.547 3.914 1.00 0.00 O ATOM 1160 CB LEU A 71 10.121 7.259 1.599 1.00 0.00 C ATOM 1161 CG LEU A 71 8.898 7.699 2.423 1.00 0.00 C ATOM 1162 CD1 LEU A 71 8.620 9.203 2.342 1.00 0.00 C ATOM 1163 CD2 LEU A 71 7.659 6.974 1.886 1.00 0.00 C ATOM 0 H LEU A 71 12.291 6.632 0.639 1.00 0.00 H new ATOM 0 HA LEU A 71 11.237 9.026 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.925 7.455 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.248 6.182 1.705 1.00 0.00 H new ATOM 0 HG LEU A 71 9.114 7.452 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.745 9.444 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.483 9.753 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.434 9.483 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.783 7.276 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.512 7.233 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.799 5.897 1.978 1.00 0.00 H new