USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 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 Set 1.1: A 23 TYR OH : rot -12:sc= 0.701 USER MOD Set 1.2: A 55 SER OG : rot -76:sc= 1.29 USER MOD Single : A 4 TYR OH : rot -177:sc= 0.904 USER MOD Single : A 5 TYR OH : rot -34:sc= 1.24 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0292 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 26 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.641 K(o=0.64,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.225 K(o=-0.22,f=-0.97) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 0.502 (180deg=0.366) USER MOD Single : A 51 TYR OH : rot -6:sc= 0.301 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.00168 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 8.764 -0.542 2.424 1.00 0.00 N ATOM 48 CA ASP A 3 8.209 -0.519 1.072 1.00 0.00 C ATOM 49 C ASP A 3 6.965 0.381 1.006 1.00 0.00 C ATOM 50 O ASP A 3 6.704 1.123 1.943 1.00 0.00 O ATOM 51 CB ASP A 3 7.868 -1.930 0.572 1.00 0.00 C ATOM 52 CG ASP A 3 8.617 -3.144 1.112 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.800 -3.048 1.508 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.009 -4.241 1.047 1.00 0.00 O ATOM 0 HA ASP A 3 8.977 -0.108 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.808 -2.093 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.997 -1.928 -0.510 1.00 0.00 H new ATOM 59 N TYR A 4 6.202 0.339 -0.095 1.00 0.00 N ATOM 60 CA TYR A 4 4.795 0.762 -0.133 1.00 0.00 C ATOM 61 C TYR A 4 4.076 -0.068 -1.186 1.00 0.00 C ATOM 62 O TYR A 4 3.104 -0.736 -0.851 1.00 0.00 O ATOM 63 CB TYR A 4 4.578 2.267 -0.361 1.00 0.00 C ATOM 64 CG TYR A 4 5.048 3.108 0.808 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.413 3.022 2.064 1.00 0.00 C ATOM 66 CD2 TYR A 4 6.231 3.850 0.685 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.988 3.623 3.199 1.00 0.00 C ATOM 68 CE2 TYR A 4 6.828 4.427 1.812 1.00 0.00 C ATOM 69 CZ TYR A 4 6.220 4.300 3.080 1.00 0.00 C ATOM 70 OH TYR A 4 6.808 4.884 4.159 1.00 0.00 O ATOM 0 H TYR A 4 6.548 0.006 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 4 4.377 0.585 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.109 2.574 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.519 2.455 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.477 2.490 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.685 3.977 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.489 3.566 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.756 4.971 1.711 1.00 0.00 H new ATOM 0 HH TYR A 4 7.627 5.343 3.877 1.00 0.00 H new ATOM 80 N TYR A 5 4.604 -0.106 -2.422 1.00 0.00 N ATOM 81 CA TYR A 5 4.118 -0.944 -3.520 1.00 0.00 C ATOM 82 C TYR A 5 3.751 -2.334 -2.993 1.00 0.00 C ATOM 83 O TYR A 5 2.584 -2.732 -2.989 1.00 0.00 O ATOM 84 CB TYR A 5 5.215 -1.078 -4.604 1.00 0.00 C ATOM 85 CG TYR A 5 5.134 -0.269 -5.886 1.00 0.00 C ATOM 86 CD1 TYR A 5 3.907 -0.039 -6.545 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.340 0.099 -6.516 1.00 0.00 C ATOM 88 CE1 TYR A 5 3.891 0.527 -7.833 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.331 0.683 -7.792 1.00 0.00 C ATOM 90 CZ TYR A 5 5.107 0.872 -8.466 1.00 0.00 C ATOM 91 OH TYR A 5 5.119 1.362 -9.733 1.00 0.00 O ATOM 0 H TYR A 5 5.406 0.466 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 5 3.234 -0.478 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.166 -0.836 -4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.259 -2.129 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.978 -0.298 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.280 -0.070 -6.012 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.951 0.698 -8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.258 0.986 -8.256 1.00 0.00 H new ATOM 0 HH TYR A 5 4.399 0.946 -10.251 1.00 0.00 H new ATOM 101 N GLN A 6 4.758 -3.084 -2.550 1.00 0.00 N ATOM 102 CA GLN A 6 4.577 -4.488 -2.235 1.00 0.00 C ATOM 103 C GLN A 6 3.849 -4.696 -0.911 1.00 0.00 C ATOM 104 O GLN A 6 3.246 -5.747 -0.707 1.00 0.00 O ATOM 105 CB GLN A 6 5.957 -5.148 -2.251 1.00 0.00 C ATOM 106 CG GLN A 6 5.883 -6.665 -2.459 1.00 0.00 C ATOM 107 CD GLN A 6 7.046 -7.211 -3.283 1.00 0.00 C ATOM 108 OE1 GLN A 6 6.989 -7.242 -4.509 1.00 0.00 O ATOM 109 NE2 GLN A 6 8.116 -7.652 -2.645 1.00 0.00 N ATOM 0 H GLN A 6 5.706 -2.737 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 6 3.936 -4.955 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.558 -4.705 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.467 -4.938 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.870 -7.159 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.945 -6.913 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.151 -7.621 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.907 -8.023 -3.171 1.00 0.00 H new ATOM 118 N THR A 7 3.806 -3.684 -0.051 1.00 0.00 N ATOM 119 CA THR A 7 2.962 -3.666 1.144 1.00 0.00 C ATOM 120 C THR A 7 1.469 -3.757 0.800 1.00 0.00 C ATOM 121 O THR A 7 0.692 -4.189 1.639 1.00 0.00 O ATOM 122 CB THR A 7 3.263 -2.413 1.982 1.00 0.00 C ATOM 123 OG1 THR A 7 4.660 -2.238 2.057 1.00 0.00 O ATOM 124 CG2 THR A 7 2.738 -2.524 3.413 1.00 0.00 C ATOM 0 H THR A 7 4.365 -2.838 -0.164 1.00 0.00 H new ATOM 0 HA THR A 7 3.200 -4.551 1.734 1.00 0.00 H new ATOM 0 HB THR A 7 2.767 -1.574 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.862 -1.440 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.978 -1.612 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.657 -2.662 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.204 -3.377 3.907 1.00 0.00 H new ATOM 132 N LEU A 8 1.070 -3.454 -0.437 1.00 0.00 N ATOM 133 CA LEU A 8 -0.285 -3.609 -0.988 1.00 0.00 C ATOM 134 C LEU A 8 -0.265 -4.668 -2.106 1.00 0.00 C ATOM 135 O LEU A 8 -1.196 -4.784 -2.892 1.00 0.00 O ATOM 136 CB LEU A 8 -0.728 -2.201 -1.448 1.00 0.00 C ATOM 137 CG LEU A 8 -2.221 -1.836 -1.609 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.848 -2.179 -2.958 1.00 0.00 C ATOM 139 CD2 LEU A 8 -3.092 -2.400 -0.492 1.00 0.00 C ATOM 0 H LEU A 8 1.719 -3.071 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.010 -3.977 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.302 -1.489 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.252 -2.018 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.200 -0.748 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.896 -1.879 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.319 -1.650 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.778 -3.253 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.130 -2.111 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.015 -3.487 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.755 -2.005 0.467 1.00 0.00 H new ATOM 151 N GLY A 9 0.805 -5.463 -2.189 1.00 0.00 N ATOM 152 CA GLY A 9 0.912 -6.608 -3.077 1.00 0.00 C ATOM 153 C GLY A 9 1.485 -6.262 -4.446 1.00 0.00 C ATOM 154 O GLY A 9 1.542 -7.144 -5.306 1.00 0.00 O ATOM 0 H GLY A 9 1.640 -5.318 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.542 -7.364 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.075 -7.051 -3.206 1.00 0.00 H new ATOM 158 N LEU A 10 1.922 -5.023 -4.683 1.00 0.00 N ATOM 159 CA LEU A 10 2.488 -4.618 -5.967 1.00 0.00 C ATOM 160 C LEU A 10 3.980 -4.934 -6.062 1.00 0.00 C ATOM 161 O LEU A 10 4.530 -5.592 -5.184 1.00 0.00 O ATOM 162 CB LEU A 10 2.129 -3.165 -6.306 1.00 0.00 C ATOM 163 CG LEU A 10 0.653 -2.967 -6.711 1.00 0.00 C ATOM 164 CD1 LEU A 10 -0.046 -4.194 -7.307 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.163 -2.597 -5.499 1.00 0.00 C ATOM 0 H LEU A 10 1.893 -4.275 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 10 2.024 -5.223 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.347 -2.536 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.768 -2.823 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 10 0.699 -2.194 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.077 -3.941 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.478 -4.508 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.036 -5.007 -6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.204 -2.458 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.096 -3.394 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.221 -1.671 -5.071 1.00 0.00 H new ATOM 177 N ALA A 11 4.628 -4.524 -7.148 1.00 0.00 N ATOM 178 CA ALA A 11 6.063 -4.610 -7.354 1.00 0.00 C ATOM 179 C ALA A 11 6.489 -3.447 -8.255 1.00 0.00 C ATOM 180 O ALA A 11 5.647 -2.732 -8.805 1.00 0.00 O ATOM 181 CB ALA A 11 6.408 -5.967 -7.980 1.00 0.00 C ATOM 0 H ALA A 11 4.142 -4.105 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 11 6.600 -4.537 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.485 -6.033 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.088 -6.767 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.897 -6.067 -8.937 1.00 0.00 H new ATOM 187 N ARG A 12 7.801 -3.287 -8.409 1.00 0.00 N ATOM 188 CA ARG A 12 8.514 -2.333 -9.256 1.00 0.00 C ATOM 189 C ARG A 12 8.064 -2.351 -10.726 1.00 0.00 C ATOM 190 O ARG A 12 8.732 -2.944 -11.578 1.00 0.00 O ATOM 191 CB ARG A 12 10.026 -2.598 -9.102 1.00 0.00 C ATOM 192 CG ARG A 12 10.469 -4.040 -9.436 1.00 0.00 C ATOM 193 CD ARG A 12 10.769 -4.931 -8.224 1.00 0.00 C ATOM 194 NE ARG A 12 11.935 -4.480 -7.455 1.00 0.00 N ATOM 195 CZ ARG A 12 13.207 -4.392 -7.858 1.00 0.00 C ATOM 196 NH1 ARG A 12 13.590 -4.815 -9.059 1.00 0.00 N ATOM 197 NH2 ARG A 12 14.085 -3.844 -7.031 1.00 0.00 N ATOM 0 H ARG A 12 8.454 -3.878 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 12 8.273 -1.324 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.569 -1.908 -9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.317 -2.372 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.688 -4.514 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.361 -3.993 -10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.896 -4.953 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.938 -5.953 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 12 11.752 -4.198 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.906 -5.219 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.567 -4.735 -9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.783 -3.505 -6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.063 -3.762 -7.307 1.00 0.00 H new ATOM 211 N GLY A 13 6.970 -1.673 -11.060 1.00 0.00 N ATOM 212 CA GLY A 13 6.407 -1.643 -12.409 1.00 0.00 C ATOM 213 C GLY A 13 4.906 -1.915 -12.434 1.00 0.00 C ATOM 214 O GLY A 13 4.300 -1.932 -13.506 1.00 0.00 O ATOM 0 H GLY A 13 6.439 -1.118 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.602 -0.668 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.915 -2.384 -13.026 1.00 0.00 H new ATOM 218 N ALA A 14 4.276 -2.142 -11.278 1.00 0.00 N ATOM 219 CA ALA A 14 2.831 -2.064 -11.152 1.00 0.00 C ATOM 220 C ALA A 14 2.374 -0.611 -11.316 1.00 0.00 C ATOM 221 O ALA A 14 3.179 0.325 -11.268 1.00 0.00 O ATOM 222 CB ALA A 14 2.416 -2.603 -9.791 1.00 0.00 C ATOM 0 H ALA A 14 4.757 -2.383 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 14 2.360 -2.664 -11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.332 -2.546 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.735 -3.641 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.883 -2.008 -9.006 1.00 0.00 H new ATOM 228 N SER A 15 1.073 -0.413 -11.453 1.00 0.00 N ATOM 229 CA SER A 15 0.470 0.842 -11.867 1.00 0.00 C ATOM 230 C SER A 15 -0.712 1.183 -10.972 1.00 0.00 C ATOM 231 O SER A 15 -1.129 0.378 -10.135 1.00 0.00 O ATOM 232 CB SER A 15 0.066 0.693 -13.342 1.00 0.00 C ATOM 233 OG SER A 15 -0.571 -0.554 -13.561 1.00 0.00 O ATOM 0 H SER A 15 0.386 -1.145 -11.273 1.00 0.00 H new ATOM 0 HA SER A 15 1.172 1.670 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.604 1.505 -13.625 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.949 0.773 -13.976 1.00 0.00 H new ATOM 0 HG SER A 15 -0.823 -0.631 -14.505 1.00 0.00 H new ATOM 239 N ASP A 16 -1.272 2.373 -11.164 1.00 0.00 N ATOM 240 CA ASP A 16 -2.341 2.910 -10.325 1.00 0.00 C ATOM 241 C ASP A 16 -3.603 2.046 -10.413 1.00 0.00 C ATOM 242 O ASP A 16 -4.374 1.918 -9.462 1.00 0.00 O ATOM 243 CB ASP A 16 -2.636 4.367 -10.722 1.00 0.00 C ATOM 244 CG ASP A 16 -2.705 5.285 -9.506 1.00 0.00 C ATOM 245 OD1 ASP A 16 -1.738 5.284 -8.711 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.659 6.088 -9.386 1.00 0.00 O ATOM 0 H ASP A 16 -0.993 3.002 -11.917 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.010 2.892 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.861 4.722 -11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.580 4.411 -11.264 1.00 0.00 H new ATOM 251 N GLU A 17 -3.762 1.379 -11.555 1.00 0.00 N ATOM 252 CA GLU A 17 -4.826 0.443 -11.857 1.00 0.00 C ATOM 253 C GLU A 17 -4.680 -0.796 -10.981 1.00 0.00 C ATOM 254 O GLU A 17 -5.675 -1.333 -10.495 1.00 0.00 O ATOM 255 CB GLU A 17 -4.666 0.077 -13.338 1.00 0.00 C ATOM 256 CG GLU A 17 -5.747 -0.835 -13.932 1.00 0.00 C ATOM 257 CD GLU A 17 -6.959 -0.132 -14.547 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.941 1.101 -14.755 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.936 -0.855 -14.869 1.00 0.00 O ATOM 0 H GLU A 17 -3.112 1.489 -12.333 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.810 0.870 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.640 1.000 -13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.699 -0.409 -13.468 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.287 -1.458 -14.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.100 -1.504 -13.147 1.00 0.00 H new ATOM 266 N GLU A 18 -3.447 -1.263 -10.779 1.00 0.00 N ATOM 267 CA GLU A 18 -3.143 -2.435 -9.987 1.00 0.00 C ATOM 268 C GLU A 18 -3.273 -2.040 -8.528 1.00 0.00 C ATOM 269 O GLU A 18 -3.757 -2.831 -7.734 1.00 0.00 O ATOM 270 CB GLU A 18 -1.713 -2.908 -10.281 1.00 0.00 C ATOM 271 CG GLU A 18 -1.658 -4.373 -10.749 1.00 0.00 C ATOM 272 CD GLU A 18 -2.008 -5.432 -9.686 1.00 0.00 C ATOM 273 OE1 GLU A 18 -3.169 -5.494 -9.220 1.00 0.00 O ATOM 274 OE2 GLU A 18 -1.158 -6.318 -9.418 1.00 0.00 O ATOM 0 H GLU A 18 -2.618 -0.819 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.824 -3.252 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.273 -2.269 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.105 -2.794 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.341 -4.491 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.654 -4.578 -11.122 1.00 0.00 H new ATOM 281 N ILE A 19 -2.901 -0.806 -8.183 1.00 0.00 N ATOM 282 CA ILE A 19 -3.071 -0.264 -6.853 1.00 0.00 C ATOM 283 C ILE A 19 -4.543 -0.365 -6.481 1.00 0.00 C ATOM 284 O ILE A 19 -4.870 -1.099 -5.552 1.00 0.00 O ATOM 285 CB ILE A 19 -2.444 1.138 -6.754 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.917 0.938 -6.631 1.00 0.00 C ATOM 287 CG2 ILE A 19 -3.002 1.967 -5.586 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.110 2.195 -6.933 1.00 0.00 C ATOM 0 H ILE A 19 -2.468 -0.153 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.528 -0.840 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.695 1.714 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.684 0.601 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.607 0.145 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.520 2.944 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.077 2.095 -5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.805 1.451 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.953 1.979 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.314 2.522 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.391 2.984 -6.236 1.00 0.00 H new ATOM 300 N LYS A 20 -5.438 0.303 -7.217 1.00 0.00 N ATOM 301 CA LYS A 20 -6.865 0.290 -6.895 1.00 0.00 C ATOM 302 C LYS A 20 -7.447 -1.131 -6.926 1.00 0.00 C ATOM 303 O LYS A 20 -8.382 -1.433 -6.184 1.00 0.00 O ATOM 304 CB LYS A 20 -7.626 1.254 -7.826 1.00 0.00 C ATOM 305 CG LYS A 20 -8.935 1.701 -7.160 1.00 0.00 C ATOM 306 CD LYS A 20 -9.820 2.595 -8.033 1.00 0.00 C ATOM 307 CE LYS A 20 -10.707 1.781 -8.976 1.00 0.00 C ATOM 308 NZ LYS A 20 -11.581 2.671 -9.760 1.00 0.00 N ATOM 0 H LYS A 20 -5.198 0.858 -8.038 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.990 0.643 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.006 2.123 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.840 0.763 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.504 0.816 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.696 2.235 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.446 3.218 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.191 3.267 -8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.086 1.188 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.313 1.081 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.176 2.102 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.187 3.218 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.998 3.322 -10.324 1.00 0.00 H new ATOM 322 N ARG A 21 -6.938 -2.020 -7.785 1.00 0.00 N ATOM 323 CA ARG A 21 -7.387 -3.414 -7.868 1.00 0.00 C ATOM 324 C ARG A 21 -6.989 -4.148 -6.591 1.00 0.00 C ATOM 325 O ARG A 21 -7.838 -4.659 -5.859 1.00 0.00 O ATOM 326 CB ARG A 21 -6.790 -4.048 -9.138 1.00 0.00 C ATOM 327 CG ARG A 21 -7.355 -5.417 -9.549 1.00 0.00 C ATOM 328 CD ARG A 21 -6.642 -6.605 -8.887 1.00 0.00 C ATOM 329 NE ARG A 21 -6.478 -7.733 -9.825 1.00 0.00 N ATOM 330 CZ ARG A 21 -5.547 -7.838 -10.784 1.00 0.00 C ATOM 331 NH1 ARG A 21 -4.656 -6.877 -10.983 1.00 0.00 N ATOM 332 NH2 ARG A 21 -5.487 -8.905 -11.570 1.00 0.00 N ATOM 0 H ARG A 21 -6.197 -1.791 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.472 -3.479 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.936 -3.355 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.714 -4.151 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.414 -5.454 -9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.283 -5.519 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.664 -6.287 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.212 -6.934 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.136 -8.507 -9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.671 -6.039 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.955 -6.975 -11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.157 -9.665 -11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.771 -8.966 -12.294 1.00 0.00 H new ATOM 346 N ALA A 22 -5.688 -4.198 -6.330 1.00 0.00 N ATOM 347 CA ALA A 22 -5.094 -4.879 -5.197 1.00 0.00 C ATOM 348 C ALA A 22 -5.569 -4.301 -3.857 1.00 0.00 C ATOM 349 O ALA A 22 -5.581 -5.025 -2.872 1.00 0.00 O ATOM 350 CB ALA A 22 -3.568 -4.865 -5.317 1.00 0.00 C ATOM 0 H ALA A 22 -4.996 -3.746 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.430 -5.916 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.131 -5.379 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.271 -5.372 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.214 -3.834 -5.340 1.00 0.00 H new ATOM 356 N TYR A 23 -6.031 -3.053 -3.803 1.00 0.00 N ATOM 357 CA TYR A 23 -6.577 -2.370 -2.646 1.00 0.00 C ATOM 358 C TYR A 23 -7.701 -3.152 -1.962 1.00 0.00 C ATOM 359 O TYR A 23 -7.575 -3.514 -0.788 1.00 0.00 O ATOM 360 CB TYR A 23 -7.102 -1.026 -3.186 1.00 0.00 C ATOM 361 CG TYR A 23 -6.768 0.212 -2.427 1.00 0.00 C ATOM 362 CD1 TYR A 23 -5.487 0.782 -2.552 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.787 0.865 -1.718 1.00 0.00 C ATOM 364 CE1 TYR A 23 -5.200 1.993 -1.910 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.515 2.087 -1.104 1.00 0.00 C ATOM 366 CZ TYR A 23 -6.220 2.629 -1.177 1.00 0.00 C ATOM 367 OH TYR A 23 -5.963 3.775 -0.510 1.00 0.00 O ATOM 0 H TYR A 23 -6.031 -2.455 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.812 -2.250 -1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.728 -0.906 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.188 -1.094 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.729 0.287 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.771 0.426 -1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.215 2.431 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.295 2.614 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.995 3.924 -0.477 1.00 0.00 H new ATOM 377 N ARG A 24 -8.825 -3.386 -2.657 1.00 0.00 N ATOM 378 CA ARG A 24 -9.971 -4.048 -2.031 1.00 0.00 C ATOM 379 C ARG A 24 -9.631 -5.511 -1.782 1.00 0.00 C ATOM 380 O ARG A 24 -10.010 -6.053 -0.749 1.00 0.00 O ATOM 381 CB ARG A 24 -11.257 -3.897 -2.866 1.00 0.00 C ATOM 382 CG ARG A 24 -12.488 -3.969 -1.943 1.00 0.00 C ATOM 383 CD ARG A 24 -13.822 -3.984 -2.703 1.00 0.00 C ATOM 384 NE ARG A 24 -14.320 -5.357 -2.918 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.101 -6.135 -3.982 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.511 -5.645 -5.065 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.472 -7.412 -3.960 1.00 0.00 N ATOM 0 H ARG A 24 -8.961 -3.131 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.174 -3.562 -1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.246 -2.947 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.308 -4.684 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.419 -4.866 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.475 -3.116 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.564 -3.412 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.696 -3.489 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.893 -5.755 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.221 -4.667 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.348 -6.246 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.924 -7.798 -3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.305 -8.006 -4.772 1.00 0.00 H new ATOM 401 N ARG A 25 -8.845 -6.114 -2.683 1.00 0.00 N ATOM 402 CA ARG A 25 -8.316 -7.465 -2.546 1.00 0.00 C ATOM 403 C ARG A 25 -7.595 -7.557 -1.203 1.00 0.00 C ATOM 404 O ARG A 25 -7.920 -8.443 -0.415 1.00 0.00 O ATOM 405 CB ARG A 25 -7.391 -7.741 -3.755 1.00 0.00 C ATOM 406 CG ARG A 25 -6.412 -8.926 -3.648 1.00 0.00 C ATOM 407 CD ARG A 25 -5.263 -8.769 -4.661 1.00 0.00 C ATOM 408 NE ARG A 25 -4.280 -9.863 -4.559 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.972 -9.794 -4.855 1.00 0.00 C ATOM 410 NH1 ARG A 25 -2.470 -8.734 -5.480 1.00 0.00 N ATOM 411 NH2 ARG A 25 -2.185 -10.807 -4.521 1.00 0.00 N ATOM 0 H ARG A 25 -8.555 -5.658 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.097 -8.225 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.021 -7.903 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.808 -6.840 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.008 -8.982 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.942 -9.861 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.672 -8.743 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.762 -7.815 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.629 -10.763 -4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.080 -7.959 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.474 -8.695 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.575 -11.621 -4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.189 -10.772 -4.738 1.00 0.00 H new ATOM 425 N GLN A 26 -6.614 -6.694 -0.941 1.00 0.00 N ATOM 426 CA GLN A 26 -5.756 -6.850 0.209 1.00 0.00 C ATOM 427 C GLN A 26 -6.491 -6.510 1.499 1.00 0.00 C ATOM 428 O GLN A 26 -6.386 -7.275 2.455 1.00 0.00 O ATOM 429 CB GLN A 26 -4.444 -6.057 0.053 1.00 0.00 C ATOM 430 CG GLN A 26 -3.413 -6.852 0.863 1.00 0.00 C ATOM 431 CD GLN A 26 -1.959 -6.523 0.620 1.00 0.00 C ATOM 432 OE1 GLN A 26 -1.389 -6.859 -0.412 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.313 -5.982 1.625 1.00 0.00 N ATOM 0 H GLN A 26 -6.402 -5.880 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.476 -7.901 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.150 -5.978 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.548 -5.040 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.623 -6.702 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.561 -7.912 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.817 -5.713 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.306 -5.830 1.562 1.00 0.00 H new ATOM 442 N ALA A 27 -7.258 -5.416 1.530 1.00 0.00 N ATOM 443 CA ALA A 27 -8.012 -5.056 2.725 1.00 0.00 C ATOM 444 C ALA A 27 -8.962 -6.184 3.122 1.00 0.00 C ATOM 445 O ALA A 27 -9.028 -6.544 4.295 1.00 0.00 O ATOM 446 CB ALA A 27 -8.789 -3.763 2.500 1.00 0.00 C ATOM 0 H ALA A 27 -7.370 -4.772 0.747 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.305 -4.897 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.345 -3.511 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.094 -2.957 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.484 -3.896 1.671 1.00 0.00 H new ATOM 452 N LEU A 28 -9.677 -6.765 2.150 1.00 0.00 N ATOM 453 CA LEU A 28 -10.554 -7.907 2.378 1.00 0.00 C ATOM 454 C LEU A 28 -9.772 -9.061 3.004 1.00 0.00 C ATOM 455 O LEU A 28 -10.211 -9.622 4.004 1.00 0.00 O ATOM 456 CB LEU A 28 -11.221 -8.321 1.056 1.00 0.00 C ATOM 457 CG LEU A 28 -12.256 -9.450 1.207 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.460 -8.987 2.037 1.00 0.00 C ATOM 459 CD2 LEU A 28 -12.739 -9.885 -0.179 1.00 0.00 C ATOM 0 H LEU A 28 -9.659 -6.450 1.180 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.340 -7.628 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.709 -7.450 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.449 -8.640 0.355 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.780 -10.285 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.175 -9.804 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.124 -8.687 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.937 -8.140 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.472 -10.685 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.197 -9.037 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.892 -10.244 -0.764 1.00 0.00 H new ATOM 471 N ARG A 29 -8.599 -9.381 2.455 1.00 0.00 N ATOM 472 CA ARG A 29 -7.776 -10.512 2.878 1.00 0.00 C ATOM 473 C ARG A 29 -7.474 -10.475 4.379 1.00 0.00 C ATOM 474 O ARG A 29 -7.550 -11.507 5.045 1.00 0.00 O ATOM 475 CB ARG A 29 -6.476 -10.502 2.057 1.00 0.00 C ATOM 476 CG ARG A 29 -5.861 -11.889 1.833 1.00 0.00 C ATOM 477 CD ARG A 29 -4.327 -11.806 1.838 1.00 0.00 C ATOM 478 NE ARG A 29 -3.698 -12.526 0.718 1.00 0.00 N ATOM 479 CZ ARG A 29 -2.397 -12.441 0.421 1.00 0.00 C ATOM 480 NH1 ARG A 29 -1.549 -11.926 1.306 1.00 0.00 N ATOM 481 NH2 ARG A 29 -1.976 -12.837 -0.772 1.00 0.00 N ATOM 0 H ARG A 29 -8.187 -8.849 1.688 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.326 -11.436 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.676 -10.045 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.745 -9.871 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.196 -12.572 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.206 -12.297 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.027 -10.759 1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.952 -12.212 2.777 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.287 -13.122 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.891 -11.597 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.556 -11.860 1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.642 -13.202 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.986 -12.777 -1.009 1.00 0.00 H new ATOM 495 N TYR A 30 -7.122 -9.297 4.901 1.00 0.00 N ATOM 496 CA TYR A 30 -6.683 -9.084 6.277 1.00 0.00 C ATOM 497 C TYR A 30 -7.809 -8.588 7.196 1.00 0.00 C ATOM 498 O TYR A 30 -7.567 -8.440 8.393 1.00 0.00 O ATOM 499 CB TYR A 30 -5.508 -8.088 6.283 1.00 0.00 C ATOM 500 CG TYR A 30 -4.192 -8.654 5.774 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.898 -8.661 4.397 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.244 -9.160 6.684 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.662 -9.136 3.925 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.011 -9.654 6.220 1.00 0.00 C ATOM 505 CZ TYR A 30 -1.707 -9.629 4.841 1.00 0.00 C ATOM 506 OH TYR A 30 -0.507 -10.085 4.398 1.00 0.00 O ATOM 0 H TYR A 30 -7.136 -8.436 4.355 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.366 -10.048 6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.777 -7.226 5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.362 -7.725 7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.632 -8.296 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.464 -9.169 7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.444 -9.124 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.294 -10.054 6.921 1.00 0.00 H new ATOM 0 HH TYR A 30 0.030 -10.386 5.160 1.00 0.00 H new ATOM 516 N HIS A 31 -9.013 -8.314 6.676 1.00 0.00 N ATOM 517 CA HIS A 31 -10.060 -7.579 7.388 1.00 0.00 C ATOM 518 C HIS A 31 -10.366 -8.347 8.686 1.00 0.00 C ATOM 519 O HIS A 31 -10.561 -9.569 8.624 1.00 0.00 O ATOM 520 CB HIS A 31 -11.326 -7.505 6.504 1.00 0.00 C ATOM 521 CG HIS A 31 -12.005 -6.163 6.374 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.868 -5.525 7.247 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.002 -5.440 5.212 1.00 0.00 C ATOM 524 CE1 HIS A 31 -13.351 -4.435 6.624 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.855 -4.347 5.377 1.00 0.00 N ATOM 0 H HIS A 31 -9.288 -8.602 5.737 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.737 -6.563 7.617 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.059 -7.846 5.504 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.054 -8.214 6.898 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.097 -5.827 8.194 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.438 -5.674 4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.040 -3.729 7.064 1.00 0.00 H new ATOM 533 N PRO A 32 -10.512 -7.682 9.844 1.00 0.00 N ATOM 534 CA PRO A 32 -10.863 -8.353 11.097 1.00 0.00 C ATOM 535 C PRO A 32 -12.265 -8.986 11.028 1.00 0.00 C ATOM 536 O PRO A 32 -12.602 -9.871 11.814 1.00 0.00 O ATOM 537 CB PRO A 32 -10.758 -7.264 12.168 1.00 0.00 C ATOM 538 CG PRO A 32 -11.051 -5.977 11.397 1.00 0.00 C ATOM 539 CD PRO A 32 -10.401 -6.245 10.044 1.00 0.00 C ATOM 0 HA PRO A 32 -10.199 -9.189 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.476 -7.422 12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.768 -7.243 12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.122 -5.795 11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.621 -5.104 11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.907 -5.697 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.359 -5.926 10.038 1.00 0.00 H new ATOM 547 N ASP A 33 -13.075 -8.566 10.054 1.00 0.00 N ATOM 548 CA ASP A 33 -14.400 -9.095 9.756 1.00 0.00 C ATOM 549 C ASP A 33 -14.341 -10.335 8.867 1.00 0.00 C ATOM 550 O ASP A 33 -15.346 -11.033 8.740 1.00 0.00 O ATOM 551 CB ASP A 33 -15.186 -8.057 8.952 1.00 0.00 C ATOM 552 CG ASP A 33 -15.383 -6.757 9.706 1.00 0.00 C ATOM 553 OD1 ASP A 33 -16.281 -6.713 10.566 1.00 0.00 O ATOM 554 OD2 ASP A 33 -14.656 -5.791 9.369 1.00 0.00 O ATOM 0 H ASP A 33 -12.808 -7.810 9.423 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.860 -9.338 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.662 -7.854 8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -16.160 -8.470 8.688 1.00 0.00 H new ATOM 559 N LYS A 34 -13.223 -10.590 8.178 1.00 0.00 N ATOM 560 CA LYS A 34 -13.157 -11.557 7.081 1.00 0.00 C ATOM 561 C LYS A 34 -12.162 -12.649 7.432 1.00 0.00 C ATOM 562 O LYS A 34 -12.503 -13.823 7.320 1.00 0.00 O ATOM 563 CB LYS A 34 -12.770 -10.855 5.761 1.00 0.00 C ATOM 564 CG LYS A 34 -12.356 -11.816 4.629 1.00 0.00 C ATOM 565 CD LYS A 34 -13.429 -12.829 4.217 1.00 0.00 C ATOM 566 CE LYS A 34 -14.565 -12.137 3.460 1.00 0.00 C ATOM 567 NZ LYS A 34 -15.635 -13.082 3.105 1.00 0.00 N ATOM 0 H LYS A 34 -12.334 -10.127 8.369 1.00 0.00 H new ATOM 0 HA LYS A 34 -14.139 -12.009 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.614 -10.255 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.948 -10.167 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.079 -11.226 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.465 -12.360 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.985 -13.601 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.825 -13.326 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.976 -11.335 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.171 -11.676 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.387 -12.578 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.248 -13.833 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.027 -13.503 3.971 1.00 0.00 H new ATOM 581 N ASN A 35 -10.937 -12.279 7.810 1.00 0.00 N ATOM 582 CA ASN A 35 -9.899 -13.251 8.120 1.00 0.00 C ATOM 583 C ASN A 35 -10.184 -13.852 9.487 1.00 0.00 C ATOM 584 O ASN A 35 -9.958 -15.034 9.725 1.00 0.00 O ATOM 585 CB ASN A 35 -8.517 -12.579 8.157 1.00 0.00 C ATOM 586 CG ASN A 35 -7.383 -13.575 7.960 1.00 0.00 C ATOM 587 OD1 ASN A 35 -7.551 -14.779 8.117 1.00 0.00 O ATOM 588 ND2 ASN A 35 -6.200 -13.085 7.651 1.00 0.00 N ATOM 0 H ASN A 35 -10.643 -11.307 7.908 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.897 -14.021 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.466 -11.816 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.389 -12.070 9.112 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.402 -13.711 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.081 -12.080 7.525 1.00 0.00 H new ATOM 595 N LYS A 36 -10.658 -13.002 10.403 1.00 0.00 N ATOM 596 CA LYS A 36 -10.740 -13.232 11.838 1.00 0.00 C ATOM 597 C LYS A 36 -9.395 -13.580 12.492 1.00 0.00 C ATOM 598 O LYS A 36 -9.360 -13.844 13.692 1.00 0.00 O ATOM 599 CB LYS A 36 -11.857 -14.245 12.146 1.00 0.00 C ATOM 600 CG LYS A 36 -13.245 -13.597 12.152 1.00 0.00 C ATOM 601 CD LYS A 36 -13.486 -12.875 13.481 1.00 0.00 C ATOM 602 CE LYS A 36 -14.798 -12.106 13.403 1.00 0.00 C ATOM 603 NZ LYS A 36 -15.165 -11.563 14.719 1.00 0.00 N ATOM 0 H LYS A 36 -11.014 -12.083 10.141 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.009 -12.285 12.307 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.835 -15.044 11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.669 -14.705 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.328 -12.891 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.010 -14.358 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.521 -13.595 14.299 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.663 -12.193 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.706 -11.293 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.589 -12.764 13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.062 -11.043 14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.274 -12.343 15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.419 -10.918 15.049 1.00 0.00 H new ATOM 617 N GLU A 37 -8.288 -13.538 11.749 1.00 0.00 N ATOM 618 CA GLU A 37 -6.973 -13.904 12.222 1.00 0.00 C ATOM 619 C GLU A 37 -6.561 -13.033 13.420 1.00 0.00 C ATOM 620 O GLU A 37 -6.545 -11.801 13.292 1.00 0.00 O ATOM 621 CB GLU A 37 -5.987 -13.800 11.061 1.00 0.00 C ATOM 622 CG GLU A 37 -4.543 -14.109 11.474 1.00 0.00 C ATOM 623 CD GLU A 37 -3.577 -13.991 10.294 1.00 0.00 C ATOM 624 OE1 GLU A 37 -3.938 -14.426 9.175 1.00 0.00 O ATOM 625 OE2 GLU A 37 -2.483 -13.412 10.479 1.00 0.00 O ATOM 0 H GLU A 37 -8.293 -13.238 10.774 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.977 -14.934 12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.289 -14.489 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.032 -12.795 10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.237 -13.424 12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.491 -15.116 11.887 1.00 0.00 H new ATOM 632 N PRO A 38 -6.211 -13.632 14.572 1.00 0.00 N ATOM 633 CA PRO A 38 -5.758 -12.882 15.729 1.00 0.00 C ATOM 634 C PRO A 38 -4.396 -12.256 15.442 1.00 0.00 C ATOM 635 O PRO A 38 -3.435 -12.957 15.110 1.00 0.00 O ATOM 636 CB PRO A 38 -5.702 -13.877 16.886 1.00 0.00 C ATOM 637 CG PRO A 38 -5.482 -15.218 16.192 1.00 0.00 C ATOM 638 CD PRO A 38 -6.199 -15.060 14.853 1.00 0.00 C ATOM 0 HA PRO A 38 -6.428 -12.059 15.976 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.891 -13.645 17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.625 -13.871 17.465 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.421 -15.428 16.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.897 -16.041 16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.681 -15.608 14.066 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.213 -15.456 14.904 1.00 0.00 H new ATOM 646 N GLY A 39 -4.296 -10.939 15.597 1.00 0.00 N ATOM 647 CA GLY A 39 -3.046 -10.215 15.411 1.00 0.00 C ATOM 648 C GLY A 39 -2.801 -9.764 13.968 1.00 0.00 C ATOM 649 O GLY A 39 -1.851 -9.016 13.724 1.00 0.00 O ATOM 0 H GLY A 39 -5.083 -10.344 15.856 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.044 -9.340 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.219 -10.850 15.729 1.00 0.00 H new ATOM 653 N ALA A 40 -3.671 -10.130 13.016 1.00 0.00 N ATOM 654 CA ALA A 40 -3.664 -9.544 11.674 1.00 0.00 C ATOM 655 C ALA A 40 -3.951 -8.037 11.711 1.00 0.00 C ATOM 656 O ALA A 40 -3.796 -7.368 10.701 1.00 0.00 O ATOM 657 CB ALA A 40 -4.683 -10.253 10.782 1.00 0.00 C ATOM 0 H ALA A 40 -4.394 -10.836 13.156 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.666 -9.681 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.668 -9.808 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.430 -11.311 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.679 -10.147 11.212 1.00 0.00 H new ATOM 663 N GLU A 41 -4.362 -7.493 12.854 1.00 0.00 N ATOM 664 CA GLU A 41 -4.681 -6.095 13.091 1.00 0.00 C ATOM 665 C GLU A 41 -3.445 -5.179 13.057 1.00 0.00 C ATOM 666 O GLU A 41 -3.554 -4.012 12.681 1.00 0.00 O ATOM 667 CB GLU A 41 -5.405 -6.077 14.439 1.00 0.00 C ATOM 668 CG GLU A 41 -5.638 -4.694 15.040 1.00 0.00 C ATOM 669 CD GLU A 41 -6.576 -4.800 16.239 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.313 -5.594 17.168 1.00 0.00 O ATOM 671 OE2 GLU A 41 -7.622 -4.106 16.260 1.00 0.00 O ATOM 0 H GLU A 41 -4.488 -8.059 13.693 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.308 -5.690 12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.370 -6.570 14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.829 -6.671 15.149 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.688 -4.257 15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.066 -4.029 14.290 1.00 0.00 H new ATOM 678 N GLU A 42 -2.258 -5.674 13.414 1.00 0.00 N ATOM 679 CA GLU A 42 -1.025 -4.905 13.211 1.00 0.00 C ATOM 680 C GLU A 42 -0.614 -4.980 11.744 1.00 0.00 C ATOM 681 O GLU A 42 -0.286 -3.970 11.127 1.00 0.00 O ATOM 682 CB GLU A 42 0.100 -5.402 14.128 1.00 0.00 C ATOM 683 CG GLU A 42 1.217 -4.358 14.308 1.00 0.00 C ATOM 684 CD GLU A 42 0.791 -3.051 15.002 1.00 0.00 C ATOM 685 OE1 GLU A 42 -0.344 -2.945 15.536 1.00 0.00 O ATOM 686 OE2 GLU A 42 1.621 -2.110 15.053 1.00 0.00 O ATOM 0 H GLU A 42 -2.123 -6.591 13.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.213 -3.864 13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.316 -5.657 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.525 -6.316 13.714 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.024 -4.810 14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.624 -4.113 13.327 1.00 0.00 H new ATOM 693 N LYS A 43 -0.730 -6.173 11.159 1.00 0.00 N ATOM 694 CA LYS A 43 -0.497 -6.432 9.752 1.00 0.00 C ATOM 695 C LYS A 43 -1.351 -5.483 8.910 1.00 0.00 C ATOM 696 O LYS A 43 -0.841 -4.838 8.002 1.00 0.00 O ATOM 697 CB LYS A 43 -0.809 -7.919 9.490 1.00 0.00 C ATOM 698 CG LYS A 43 0.436 -8.762 9.214 1.00 0.00 C ATOM 699 CD LYS A 43 1.368 -8.840 10.431 1.00 0.00 C ATOM 700 CE LYS A 43 2.562 -9.742 10.109 1.00 0.00 C ATOM 701 NZ LYS A 43 2.320 -11.138 10.524 1.00 0.00 N ATOM 0 H LYS A 43 -0.999 -7.010 11.677 1.00 0.00 H new ATOM 0 HA LYS A 43 0.540 -6.246 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.333 -8.330 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.486 -7.996 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.134 -9.769 8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.979 -8.338 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.715 -7.842 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.826 -9.231 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.763 -9.710 9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.451 -9.362 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.150 -11.719 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.153 -11.171 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.486 -11.509 10.025 1.00 0.00 H new ATOM 715 N PHE A 44 -2.626 -5.338 9.263 1.00 0.00 N ATOM 716 CA PHE A 44 -3.580 -4.462 8.613 1.00 0.00 C ATOM 717 C PHE A 44 -3.069 -3.029 8.550 1.00 0.00 C ATOM 718 O PHE A 44 -3.194 -2.390 7.508 1.00 0.00 O ATOM 719 CB PHE A 44 -4.909 -4.503 9.373 1.00 0.00 C ATOM 720 CG PHE A 44 -5.973 -3.633 8.739 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.673 -4.090 7.607 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.196 -2.332 9.226 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.566 -3.230 6.943 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.080 -1.473 8.552 1.00 0.00 C ATOM 725 CZ PHE A 44 -7.751 -1.917 7.404 1.00 0.00 C ATOM 0 H PHE A 44 -3.033 -5.853 10.044 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.723 -4.813 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.266 -5.532 9.417 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.745 -4.178 10.401 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.525 -5.098 7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.688 -1.994 10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.110 -3.580 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.243 -0.470 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.412 -1.248 6.873 1.00 0.00 H new ATOM 735 N LYS A 45 -2.530 -2.498 9.652 1.00 0.00 N ATOM 736 CA LYS A 45 -2.141 -1.092 9.664 1.00 0.00 C ATOM 737 C LYS A 45 -0.953 -0.806 8.749 1.00 0.00 C ATOM 738 O LYS A 45 -0.783 0.336 8.349 1.00 0.00 O ATOM 739 CB LYS A 45 -1.963 -0.513 11.076 1.00 0.00 C ATOM 740 CG LYS A 45 -0.532 -0.548 11.637 1.00 0.00 C ATOM 741 CD LYS A 45 -0.440 0.160 12.988 1.00 0.00 C ATOM 742 CE LYS A 45 -0.696 1.674 12.929 1.00 0.00 C ATOM 743 NZ LYS A 45 0.382 2.448 12.274 1.00 0.00 N ATOM 0 H LYS A 45 -2.359 -3.005 10.520 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.989 -0.552 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.306 0.522 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.614 -1.060 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.208 -1.583 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.148 -0.074 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.159 -0.292 13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.551 -0.013 13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.630 1.852 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.831 2.048 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.287 3.454 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.306 2.098 12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.312 2.337 11.242 1.00 0.00 H new ATOM 757 N GLU A 46 -0.160 -1.807 8.371 1.00 0.00 N ATOM 758 CA GLU A 46 0.955 -1.682 7.491 1.00 0.00 C ATOM 759 C GLU A 46 0.414 -1.485 6.078 1.00 0.00 C ATOM 760 O GLU A 46 0.830 -0.578 5.354 1.00 0.00 O ATOM 761 CB GLU A 46 1.682 -3.029 7.630 1.00 0.00 C ATOM 762 CG GLU A 46 3.125 -2.830 7.254 1.00 0.00 C ATOM 763 CD GLU A 46 3.846 -4.154 6.997 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.598 -4.813 5.960 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.635 -4.596 7.867 1.00 0.00 O ATOM 0 H GLU A 46 -0.301 -2.764 8.696 1.00 0.00 H new ATOM 0 HA GLU A 46 1.619 -0.846 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.604 -3.399 8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.221 -3.777 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.183 -2.208 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.635 -2.290 8.052 1.00 0.00 H new ATOM 772 N ILE A 47 -0.584 -2.294 5.726 1.00 0.00 N ATOM 773 CA ILE A 47 -1.338 -2.187 4.490 1.00 0.00 C ATOM 774 C ILE A 47 -1.957 -0.788 4.454 1.00 0.00 C ATOM 775 O ILE A 47 -1.796 -0.106 3.452 1.00 0.00 O ATOM 776 CB ILE A 47 -2.391 -3.295 4.378 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.740 -4.653 4.675 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.058 -3.320 2.979 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.797 -5.726 4.774 1.00 0.00 C ATOM 0 H ILE A 47 -0.896 -3.065 6.316 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.685 -2.321 3.628 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.173 -3.091 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.029 -4.904 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.177 -4.599 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.798 -4.120 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.548 -2.364 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.298 -3.493 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.323 -6.685 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.491 -5.480 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.341 -5.789 3.831 1.00 0.00 H new ATOM 791 N ALA A 48 -2.613 -0.365 5.545 1.00 0.00 N ATOM 792 CA ALA A 48 -3.299 0.915 5.700 1.00 0.00 C ATOM 793 C ALA A 48 -2.346 2.107 5.550 1.00 0.00 C ATOM 794 O ALA A 48 -2.761 3.145 5.030 1.00 0.00 O ATOM 795 CB ALA A 48 -4.019 0.963 7.049 1.00 0.00 C ATOM 0 H ALA A 48 -2.679 -0.941 6.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.033 0.995 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.528 1.921 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.750 0.156 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.293 0.846 7.853 1.00 0.00 H new ATOM 801 N GLU A 49 -1.089 1.954 5.974 1.00 0.00 N ATOM 802 CA GLU A 49 -0.020 2.933 5.803 1.00 0.00 C ATOM 803 C GLU A 49 0.258 3.115 4.316 1.00 0.00 C ATOM 804 O GLU A 49 0.289 4.236 3.807 1.00 0.00 O ATOM 805 CB GLU A 49 1.263 2.467 6.527 1.00 0.00 C ATOM 806 CG GLU A 49 1.823 3.472 7.533 1.00 0.00 C ATOM 807 CD GLU A 49 0.994 3.534 8.815 1.00 0.00 C ATOM 808 OE1 GLU A 49 -0.082 4.172 8.799 1.00 0.00 O ATOM 809 OE2 GLU A 49 1.462 3.052 9.874 1.00 0.00 O ATOM 0 H GLU A 49 -0.780 1.114 6.463 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.332 3.883 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.053 1.531 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.029 2.253 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.850 3.202 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.855 4.461 7.076 1.00 0.00 H new ATOM 816 N ALA A 50 0.426 1.996 3.608 1.00 0.00 N ATOM 817 CA ALA A 50 0.698 2.025 2.185 1.00 0.00 C ATOM 818 C ALA A 50 -0.554 2.397 1.400 1.00 0.00 C ATOM 819 O ALA A 50 -0.434 2.853 0.269 1.00 0.00 O ATOM 820 CB ALA A 50 1.224 0.659 1.744 1.00 0.00 C ATOM 0 H ALA A 50 0.377 1.059 4.007 1.00 0.00 H new ATOM 0 HA ALA A 50 1.453 2.785 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.430 0.677 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.141 0.430 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.476 -0.105 1.957 1.00 0.00 H new ATOM 826 N TYR A 51 -1.738 2.237 1.981 1.00 0.00 N ATOM 827 CA TYR A 51 -3.032 2.462 1.356 1.00 0.00 C ATOM 828 C TYR A 51 -3.071 3.981 1.136 1.00 0.00 C ATOM 829 O TYR A 51 -3.223 4.440 0.004 1.00 0.00 O ATOM 830 CB TYR A 51 -4.109 1.957 2.343 1.00 0.00 C ATOM 831 CG TYR A 51 -5.344 1.272 1.803 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.148 -0.025 1.285 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.649 1.734 2.040 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.237 -0.842 0.953 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.754 0.925 1.695 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.550 -0.362 1.135 1.00 0.00 C ATOM 837 OH TYR A 51 -8.604 -1.127 0.734 1.00 0.00 O ATOM 0 H TYR A 51 -1.823 1.931 2.950 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.203 1.944 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.624 1.264 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.440 2.812 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.143 -0.394 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.807 2.705 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.071 -1.834 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.758 1.288 1.858 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.272 -1.919 0.261 1.00 0.00 H new ATOM 847 N ASP A 52 -2.800 4.763 2.196 1.00 0.00 N ATOM 848 CA ASP A 52 -2.696 6.224 2.124 1.00 0.00 C ATOM 849 C ASP A 52 -1.670 6.659 1.079 1.00 0.00 C ATOM 850 O ASP A 52 -1.976 7.450 0.190 1.00 0.00 O ATOM 851 CB ASP A 52 -2.325 6.823 3.486 1.00 0.00 C ATOM 852 CG ASP A 52 -2.569 8.334 3.480 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.740 8.720 3.730 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.628 9.132 3.271 1.00 0.00 O ATOM 0 H ASP A 52 -2.646 4.391 3.133 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.677 6.597 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.917 6.354 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.278 6.617 3.710 1.00 0.00 H new ATOM 859 N VAL A 53 -0.475 6.065 1.118 1.00 0.00 N ATOM 860 CA VAL A 53 0.632 6.451 0.251 1.00 0.00 C ATOM 861 C VAL A 53 0.278 6.186 -1.211 1.00 0.00 C ATOM 862 O VAL A 53 0.546 7.020 -2.075 1.00 0.00 O ATOM 863 CB VAL A 53 1.888 5.654 0.668 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.984 5.705 -0.404 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.438 6.153 2.010 1.00 0.00 C ATOM 0 H VAL A 53 -0.251 5.301 1.755 1.00 0.00 H new ATOM 0 HA VAL A 53 0.831 7.518 0.355 1.00 0.00 H new ATOM 0 HB VAL A 53 1.579 4.615 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.848 5.131 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.604 5.279 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.279 6.740 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.322 5.574 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.706 7.206 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.678 6.034 2.782 1.00 0.00 H new ATOM 875 N LEU A 54 -0.273 5.016 -1.517 1.00 0.00 N ATOM 876 CA LEU A 54 -0.567 4.599 -2.868 1.00 0.00 C ATOM 877 C LEU A 54 -1.838 5.276 -3.391 1.00 0.00 C ATOM 878 O LEU A 54 -2.127 5.155 -4.584 1.00 0.00 O ATOM 879 CB LEU A 54 -0.685 3.071 -2.887 1.00 0.00 C ATOM 880 CG LEU A 54 0.624 2.293 -2.650 1.00 0.00 C ATOM 881 CD1 LEU A 54 0.289 0.851 -2.271 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.525 2.244 -3.893 1.00 0.00 C ATOM 0 H LEU A 54 -0.530 4.323 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 54 0.239 4.904 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.406 2.772 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.095 2.769 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 54 1.159 2.815 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.211 0.296 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.311 0.844 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.273 0.384 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.431 1.683 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.993 1.756 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.792 3.258 -4.189 1.00 0.00 H new ATOM 894 N SER A 55 -2.586 6.010 -2.563 1.00 0.00 N ATOM 895 CA SER A 55 -3.772 6.730 -3.002 1.00 0.00 C ATOM 896 C SER A 55 -3.578 8.244 -3.022 1.00 0.00 C ATOM 897 O SER A 55 -4.453 8.936 -3.550 1.00 0.00 O ATOM 898 CB SER A 55 -4.992 6.275 -2.205 1.00 0.00 C ATOM 899 OG SER A 55 -4.793 6.436 -0.817 1.00 0.00 O ATOM 0 H SER A 55 -2.382 6.118 -1.570 1.00 0.00 H new ATOM 0 HA SER A 55 -3.956 6.474 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.866 6.847 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.201 5.228 -2.425 1.00 0.00 H new ATOM 0 HG SER A 55 -4.206 5.725 -0.486 1.00 0.00 H new ATOM 905 N ASP A 56 -2.450 8.772 -2.540 1.00 0.00 N ATOM 906 CA ASP A 56 -2.138 10.193 -2.623 1.00 0.00 C ATOM 907 C ASP A 56 -0.851 10.430 -3.423 1.00 0.00 C ATOM 908 O ASP A 56 0.248 10.199 -2.912 1.00 0.00 O ATOM 909 CB ASP A 56 -2.038 10.842 -1.246 1.00 0.00 C ATOM 910 CG ASP A 56 -1.613 12.292 -1.467 1.00 0.00 C ATOM 911 OD1 ASP A 56 -2.301 13.006 -2.239 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.568 12.713 -0.943 1.00 0.00 O ATOM 0 H ASP A 56 -1.727 8.219 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.967 10.667 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.995 10.795 -0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.312 10.318 -0.624 1.00 0.00 H new ATOM 917 N PRO A 57 -0.953 10.910 -4.675 1.00 0.00 N ATOM 918 CA PRO A 57 0.197 11.256 -5.494 1.00 0.00 C ATOM 919 C PRO A 57 1.262 12.112 -4.807 1.00 0.00 C ATOM 920 O PRO A 57 2.447 11.850 -5.011 1.00 0.00 O ATOM 921 CB PRO A 57 -0.381 11.955 -6.722 1.00 0.00 C ATOM 922 CG PRO A 57 -1.701 11.218 -6.909 1.00 0.00 C ATOM 923 CD PRO A 57 -2.171 11.028 -5.468 1.00 0.00 C ATOM 0 HA PRO A 57 0.749 10.348 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.529 13.022 -6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.269 11.857 -7.592 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.412 11.799 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.567 10.266 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.775 11.873 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.791 10.136 -5.371 1.00 0.00 H new ATOM 931 N ARG A 58 0.902 13.145 -4.037 1.00 0.00 N ATOM 932 CA ARG A 58 1.905 14.016 -3.416 1.00 0.00 C ATOM 933 C ARG A 58 2.700 13.307 -2.328 1.00 0.00 C ATOM 934 O ARG A 58 3.855 13.663 -2.100 1.00 0.00 O ATOM 935 CB ARG A 58 1.288 15.342 -2.967 1.00 0.00 C ATOM 936 CG ARG A 58 0.928 15.499 -1.486 1.00 0.00 C ATOM 937 CD ARG A 58 -0.530 15.902 -1.253 1.00 0.00 C ATOM 938 NE ARG A 58 -0.725 16.399 0.117 1.00 0.00 N ATOM 939 CZ ARG A 58 -1.064 15.687 1.199 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.207 14.366 1.144 1.00 0.00 N ATOM 941 NH2 ARG A 58 -1.237 16.338 2.342 1.00 0.00 N ATOM 0 H ARG A 58 -0.065 13.396 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 58 2.642 14.268 -4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.983 16.140 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.382 15.504 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.124 14.559 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.580 16.249 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.817 16.673 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.181 15.046 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.586 17.399 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.058 13.873 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.466 13.846 1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.111 17.350 2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.496 15.827 3.186 1.00 0.00 H new ATOM 955 N LYS A 59 2.120 12.314 -1.658 1.00 0.00 N ATOM 956 CA LYS A 59 2.825 11.498 -0.690 1.00 0.00 C ATOM 957 C LYS A 59 3.738 10.568 -1.475 1.00 0.00 C ATOM 958 O LYS A 59 4.943 10.541 -1.212 1.00 0.00 O ATOM 959 CB LYS A 59 1.788 10.759 0.174 1.00 0.00 C ATOM 960 CG LYS A 59 2.374 9.746 1.161 1.00 0.00 C ATOM 961 CD LYS A 59 3.448 10.273 2.120 1.00 0.00 C ATOM 962 CE LYS A 59 3.011 11.527 2.883 1.00 0.00 C ATOM 963 NZ LYS A 59 4.062 11.996 3.808 1.00 0.00 N ATOM 0 H LYS A 59 1.140 12.056 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 59 3.442 12.080 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.211 11.496 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.091 10.241 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.557 9.335 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.800 8.920 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.703 9.491 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.353 10.496 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.770 12.319 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.101 11.313 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.731 12.846 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.274 11.249 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.922 12.224 3.269 1.00 0.00 H new ATOM 977 N ARG A 60 3.205 9.833 -2.457 1.00 0.00 N ATOM 978 CA ARG A 60 4.021 8.928 -3.247 1.00 0.00 C ATOM 979 C ARG A 60 5.095 9.619 -4.072 1.00 0.00 C ATOM 980 O ARG A 60 6.032 8.927 -4.438 1.00 0.00 O ATOM 981 CB ARG A 60 3.147 8.040 -4.141 1.00 0.00 C ATOM 982 CG ARG A 60 3.665 6.608 -4.032 1.00 0.00 C ATOM 983 CD ARG A 60 2.783 5.588 -4.750 1.00 0.00 C ATOM 984 NE ARG A 60 3.502 4.906 -5.845 1.00 0.00 N ATOM 985 CZ ARG A 60 3.006 4.502 -7.023 1.00 0.00 C ATOM 986 NH1 ARG A 60 1.744 4.703 -7.349 1.00 0.00 N ATOM 987 NH2 ARG A 60 3.800 3.891 -7.889 1.00 0.00 N ATOM 0 H ARG A 60 2.219 9.852 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 60 4.550 8.308 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.104 8.093 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.188 8.383 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.672 6.561 -4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.740 6.336 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.428 4.847 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.903 6.090 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 60 4.492 4.721 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.118 5.177 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.394 4.385 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.780 3.731 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.431 3.580 -8.788 1.00 0.00 H new ATOM 1001 N GLU A 61 5.026 10.928 -4.320 1.00 0.00 N ATOM 1002 CA GLU A 61 6.009 11.698 -5.086 1.00 0.00 C ATOM 1003 C GLU A 61 7.431 11.365 -4.650 1.00 0.00 C ATOM 1004 O GLU A 61 8.293 11.106 -5.493 1.00 0.00 O ATOM 1005 CB GLU A 61 5.710 13.198 -4.897 1.00 0.00 C ATOM 1006 CG GLU A 61 6.706 14.164 -5.565 1.00 0.00 C ATOM 1007 CD GLU A 61 7.922 14.498 -4.685 1.00 0.00 C ATOM 1008 OE1 GLU A 61 7.768 15.168 -3.642 1.00 0.00 O ATOM 1009 OE2 GLU A 61 9.073 14.165 -5.065 1.00 0.00 O ATOM 0 H GLU A 61 4.255 11.503 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 61 5.932 11.438 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.714 13.404 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.684 13.413 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.054 13.725 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.188 15.088 -5.820 1.00 0.00 H new ATOM 1016 N ILE A 62 7.653 11.301 -3.337 1.00 0.00 N ATOM 1017 CA ILE A 62 8.984 11.107 -2.785 1.00 0.00 C ATOM 1018 C ILE A 62 9.405 9.658 -3.023 1.00 0.00 C ATOM 1019 O ILE A 62 10.556 9.415 -3.360 1.00 0.00 O ATOM 1020 CB ILE A 62 9.007 11.475 -1.280 1.00 0.00 C ATOM 1021 CG1 ILE A 62 8.553 12.940 -1.081 1.00 0.00 C ATOM 1022 CG2 ILE A 62 10.408 11.238 -0.681 1.00 0.00 C ATOM 1023 CD1 ILE A 62 8.725 13.476 0.342 1.00 0.00 C ATOM 0 H ILE A 62 6.918 11.382 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 62 9.696 11.765 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 62 8.308 10.827 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.115 13.576 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.503 13.022 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.401 11.503 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.677 10.187 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.137 11.856 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.381 14.509 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.140 12.869 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.777 13.432 0.623 1.00 0.00 H new ATOM 1035 N PHE A 63 8.500 8.685 -2.908 1.00 0.00 N ATOM 1036 CA PHE A 63 8.808 7.294 -3.221 1.00 0.00 C ATOM 1037 C PHE A 63 8.996 7.101 -4.731 1.00 0.00 C ATOM 1038 O PHE A 63 9.815 6.292 -5.157 1.00 0.00 O ATOM 1039 CB PHE A 63 7.672 6.418 -2.675 1.00 0.00 C ATOM 1040 CG PHE A 63 7.738 4.945 -3.034 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.159 4.474 -4.228 1.00 0.00 C ATOM 1042 CD2 PHE A 63 8.325 4.029 -2.144 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.150 3.099 -4.520 1.00 0.00 C ATOM 1044 CE2 PHE A 63 8.316 2.654 -2.430 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.725 2.188 -3.615 1.00 0.00 C ATOM 0 H PHE A 63 7.541 8.840 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 63 9.748 7.003 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.661 6.507 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.725 6.818 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.719 5.173 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.786 4.385 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.703 2.743 -5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.764 1.955 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.712 1.130 -3.832 1.00 0.00 H new ATOM 1055 N ASP A 64 8.291 7.852 -5.574 1.00 0.00 N ATOM 1056 CA ASP A 64 8.475 7.759 -7.017 1.00 0.00 C ATOM 1057 C ASP A 64 9.826 8.335 -7.444 1.00 0.00 C ATOM 1058 O ASP A 64 10.284 8.088 -8.558 1.00 0.00 O ATOM 1059 CB ASP A 64 7.337 8.442 -7.788 1.00 0.00 C ATOM 1060 CG ASP A 64 7.336 7.960 -9.244 1.00 0.00 C ATOM 1061 OD1 ASP A 64 7.434 6.726 -9.467 1.00 0.00 O ATOM 1062 OD2 ASP A 64 7.220 8.785 -10.177 1.00 0.00 O ATOM 0 H ASP A 64 7.588 8.531 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 64 8.456 6.698 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.380 8.215 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.460 9.524 -7.753 1.00 0.00 H new ATOM 1067 N ARG A 65 10.502 9.072 -6.560 1.00 0.00 N ATOM 1068 CA ARG A 65 11.775 9.714 -6.859 1.00 0.00 C ATOM 1069 C ARG A 65 12.894 8.943 -6.161 1.00 0.00 C ATOM 1070 O ARG A 65 13.925 8.670 -6.778 1.00 0.00 O ATOM 1071 CB ARG A 65 11.650 11.183 -6.449 1.00 0.00 C ATOM 1072 CG ARG A 65 12.937 11.951 -6.145 1.00 0.00 C ATOM 1073 CD ARG A 65 12.759 13.422 -6.548 1.00 0.00 C ATOM 1074 NE ARG A 65 14.017 14.176 -6.480 1.00 0.00 N ATOM 1075 CZ ARG A 65 14.158 15.476 -6.766 1.00 0.00 C ATOM 1076 NH1 ARG A 65 13.102 16.272 -6.876 1.00 0.00 N ATOM 1077 NH2 ARG A 65 15.366 15.990 -6.939 1.00 0.00 N ATOM 0 H ARG A 65 10.174 9.239 -5.609 1.00 0.00 H new ATOM 0 HA ARG A 65 12.029 9.697 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.126 11.710 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.015 11.231 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.175 11.879 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.773 11.512 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.362 13.473 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.023 13.889 -5.894 1.00 0.00 H new ATOM 0 HE ARG A 65 14.852 13.667 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.163 15.896 -6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.229 17.260 -7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.190 15.395 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.472 16.981 -7.157 1.00 0.00 H new ATOM 1091 N TYR A 66 12.656 8.586 -4.905 1.00 0.00 N ATOM 1092 CA TYR A 66 13.520 7.945 -3.916 1.00 0.00 C ATOM 1093 C TYR A 66 12.773 6.756 -3.284 1.00 0.00 C ATOM 1094 O TYR A 66 12.428 6.757 -2.097 1.00 0.00 O ATOM 1095 CB TYR A 66 13.905 8.937 -2.806 1.00 0.00 C ATOM 1096 CG TYR A 66 14.473 10.294 -3.169 1.00 0.00 C ATOM 1097 CD1 TYR A 66 15.334 10.478 -4.270 1.00 0.00 C ATOM 1098 CD2 TYR A 66 14.157 11.387 -2.341 1.00 0.00 C ATOM 1099 CE1 TYR A 66 15.832 11.760 -4.568 1.00 0.00 C ATOM 1100 CE2 TYR A 66 14.657 12.663 -2.632 1.00 0.00 C ATOM 1101 CZ TYR A 66 15.474 12.863 -3.761 1.00 0.00 C ATOM 1102 OH TYR A 66 15.878 14.117 -4.095 1.00 0.00 O ATOM 0 H TYR A 66 11.735 8.761 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 66 14.426 7.603 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 66 13.015 9.109 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.634 8.441 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.612 9.635 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 66 13.526 11.242 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.488 11.901 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 66 14.415 13.496 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 66 15.543 14.756 -3.432 1.00 0.00 H new ATOM 1112 N GLY A 67 12.487 5.744 -4.092 1.00 0.00 N ATOM 1113 CA GLY A 67 11.805 4.497 -3.737 1.00 0.00 C ATOM 1114 C GLY A 67 12.244 3.937 -2.389 1.00 0.00 C ATOM 1115 O GLY A 67 13.325 3.358 -2.304 1.00 0.00 O ATOM 0 H GLY A 67 12.740 5.770 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.729 4.671 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.994 3.754 -4.511 1.00 0.00 H new ATOM 1119 N GLU A 68 11.403 4.113 -1.364 1.00 0.00 N ATOM 1120 CA GLU A 68 11.515 3.703 0.043 1.00 0.00 C ATOM 1121 C GLU A 68 12.663 4.394 0.790 1.00 0.00 C ATOM 1122 O GLU A 68 12.550 4.665 1.983 1.00 0.00 O ATOM 1123 CB GLU A 68 11.552 2.168 0.119 1.00 0.00 C ATOM 1124 CG GLU A 68 11.309 1.554 1.509 1.00 0.00 C ATOM 1125 CD GLU A 68 12.546 1.467 2.406 1.00 0.00 C ATOM 1126 OE1 GLU A 68 13.600 0.963 1.950 1.00 0.00 O ATOM 1127 OE2 GLU A 68 12.466 1.790 3.609 1.00 0.00 O ATOM 0 H GLU A 68 10.523 4.605 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 68 10.629 4.045 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.803 1.772 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.524 1.830 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.549 2.143 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.902 0.551 1.380 1.00 0.00 H new ATOM 1134 N GLU A 69 13.743 4.749 0.101 1.00 0.00 N ATOM 1135 CA GLU A 69 14.888 5.413 0.680 1.00 0.00 C ATOM 1136 C GLU A 69 14.619 6.874 1.035 1.00 0.00 C ATOM 1137 O GLU A 69 15.335 7.424 1.871 1.00 0.00 O ATOM 1138 CB GLU A 69 16.054 5.308 -0.313 1.00 0.00 C ATOM 1139 CG GLU A 69 17.327 4.855 0.397 1.00 0.00 C ATOM 1140 CD GLU A 69 17.185 3.422 0.912 1.00 0.00 C ATOM 1141 OE1 GLU A 69 17.384 2.469 0.122 1.00 0.00 O ATOM 1142 OE2 GLU A 69 16.862 3.267 2.113 1.00 0.00 O ATOM 0 H GLU A 69 13.841 4.575 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 69 15.129 4.918 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.802 4.602 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.221 6.274 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.172 4.917 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.542 5.525 1.229 1.00 0.00 H new ATOM 1149 N GLY A 70 13.631 7.507 0.404 1.00 0.00 N ATOM 1150 CA GLY A 70 13.227 8.874 0.685 1.00 0.00 C ATOM 1151 C GLY A 70 12.094 8.878 1.690 1.00 0.00 C ATOM 1152 O GLY A 70 12.234 9.410 2.785 1.00 0.00 O ATOM 0 H GLY A 70 13.079 7.069 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.073 9.440 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.911 9.366 -0.235 1.00 0.00 H new ATOM 1156 N LEU A 71 10.959 8.283 1.309 1.00 0.00 N ATOM 1157 CA LEU A 71 9.745 8.237 2.123 1.00 0.00 C ATOM 1158 C LEU A 71 9.904 7.199 3.244 1.00 0.00 C ATOM 1159 O LEU A 71 9.194 6.192 3.294 1.00 0.00 O ATOM 1160 CB LEU A 71 8.524 7.989 1.209 1.00 0.00 C ATOM 1161 CG LEU A 71 7.148 8.004 1.915 1.00 0.00 C ATOM 1162 CD1 LEU A 71 6.893 9.276 2.727 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.044 7.836 0.866 1.00 0.00 C ATOM 0 H LEU A 71 10.859 7.812 0.410 1.00 0.00 H new ATOM 0 HA LEU A 71 9.575 9.192 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.519 8.747 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.650 7.024 0.718 1.00 0.00 H new ATOM 0 HG LEU A 71 7.145 7.177 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.910 9.218 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.657 9.374 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.930 10.143 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.071 7.846 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.096 8.655 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.178 6.888 0.345 1.00 0.00 H new