USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 33 SER OG : rot 180:sc= 0.00345 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.0136 X(o=0.017,f=0.45) USER MOD Single : A 1 TRP N :NH3+ 156:sc= 0.13 (180deg=0.0179) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -137:sc= -0.137 (180deg=-0.491) USER MOD Single : A 8 THR OG1 : rot 67:sc= 1.06 USER MOD Single : A 10 LYS NZ :NH3+ -121:sc= -0.0528 (180deg=-0.0642) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0528 K(o=-0.053,f=-0.56) USER MOD Single : A 19 ASN : amide:sc= 0.297 K(o=0.3,f=-4.1!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -45:sc= 0.291 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.085) USER MOD Single : A 35 CYS SG : rot -64:sc= -4.08! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -163:sc= -0.493 USER MOD Single : A 53 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.4) USER MOD Single : A 54 GLN : amide:sc= 0.195 K(o=0.19,f=-1.5) USER MOD Single : A 55 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-1.6!) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.0301 (180deg=-0.216) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -165:sc= -0.0285 (180deg=-0.311) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.677 1.823 -1.473 1.00 0.00 N ATOM 2 CA TRP A 1 1.962 1.402 -2.052 1.00 0.00 C ATOM 3 C TRP A 1 2.035 -0.131 -2.132 1.00 0.00 C ATOM 4 O TRP A 1 2.487 -0.798 -1.202 1.00 0.00 O ATOM 5 CB TRP A 1 3.149 1.994 -1.251 1.00 0.00 C ATOM 6 CG TRP A 1 3.330 3.479 -1.438 1.00 0.00 C ATOM 7 CD1 TRP A 1 2.675 4.488 -0.784 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.246 4.120 -2.339 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.114 5.704 -1.237 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.076 5.505 -2.191 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.190 3.649 -3.264 1.00 0.00 C ATOM 12 CZ2 TRP A 1 4.816 6.426 -2.922 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.926 4.566 -3.991 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.729 5.943 -3.818 1.00 0.00 C ATOM 0 H1 TRP A 1 0.779 2.769 -1.052 1.00 0.00 H new ATOM 0 H2 TRP A 1 -0.047 1.852 -2.219 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.389 1.146 -0.738 1.00 0.00 H new ATOM 0 HA TRP A 1 2.033 1.791 -3.068 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.999 1.786 -0.191 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.066 1.485 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 1 1.922 4.346 -0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 1 2.778 6.612 -0.915 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.339 2.589 -3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 4.675 7.488 -2.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.662 4.217 -4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.311 6.638 -4.405 1.00 0.00 H new ATOM 25 N THR A 2 1.539 -0.672 -3.250 1.00 0.00 N ATOM 26 CA THR A 2 1.641 -2.105 -3.595 1.00 0.00 C ATOM 27 C THR A 2 3.063 -2.415 -4.132 1.00 0.00 C ATOM 28 O THR A 2 3.767 -1.500 -4.565 1.00 0.00 O ATOM 29 CB THR A 2 0.544 -2.455 -4.664 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.733 -1.989 -4.192 1.00 0.00 O ATOM 31 CG2 THR A 2 0.453 -3.965 -4.974 1.00 0.00 C ATOM 0 H THR A 2 1.047 -0.123 -3.955 1.00 0.00 H new ATOM 0 HA THR A 2 1.474 -2.717 -2.709 1.00 0.00 H new ATOM 0 HB THR A 2 0.829 -1.959 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.424 -2.202 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.323 -4.137 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.410 -4.316 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.208 -4.510 -4.062 1.00 0.00 H new ATOM 39 N GLU A 3 3.459 -3.706 -4.116 1.00 0.00 N ATOM 40 CA GLU A 3 4.785 -4.184 -4.583 1.00 0.00 C ATOM 41 C GLU A 3 5.135 -3.750 -6.037 1.00 0.00 C ATOM 42 O GLU A 3 6.301 -3.835 -6.434 1.00 0.00 O ATOM 43 CB GLU A 3 4.868 -5.728 -4.457 1.00 0.00 C ATOM 44 CG GLU A 3 4.785 -6.253 -3.011 1.00 0.00 C ATOM 45 CD GLU A 3 4.658 -7.785 -2.914 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.689 -8.492 -2.971 1.00 0.00 O ATOM 47 OE2 GLU A 3 3.523 -8.289 -2.783 1.00 0.00 O ATOM 0 H GLU A 3 2.861 -4.458 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 3 5.524 -3.710 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.060 -6.172 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.804 -6.067 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.675 -5.936 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.929 -5.794 -2.516 1.00 0.00 H new ATOM 54 N GLU A 4 4.117 -3.346 -6.834 1.00 0.00 N ATOM 55 CA GLU A 4 4.315 -2.846 -8.213 1.00 0.00 C ATOM 56 C GLU A 4 5.077 -1.498 -8.220 1.00 0.00 C ATOM 57 O GLU A 4 6.161 -1.389 -8.809 1.00 0.00 O ATOM 58 CB GLU A 4 2.940 -2.708 -8.923 1.00 0.00 C ATOM 59 CG GLU A 4 2.153 -4.034 -9.034 1.00 0.00 C ATOM 60 CD GLU A 4 2.827 -5.073 -9.951 1.00 0.00 C ATOM 61 OE1 GLU A 4 3.677 -5.853 -9.475 1.00 0.00 O ATOM 62 OE2 GLU A 4 2.521 -5.105 -11.162 1.00 0.00 O ATOM 0 H GLU A 4 3.140 -3.358 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 4 4.925 -3.566 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.334 -1.982 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.098 -2.307 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.035 -4.462 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.152 -3.823 -9.411 1.00 0.00 H new ATOM 69 N GLU A 5 4.516 -0.491 -7.516 1.00 0.00 N ATOM 70 CA GLU A 5 5.120 0.865 -7.412 1.00 0.00 C ATOM 71 C GLU A 5 6.283 0.855 -6.406 1.00 0.00 C ATOM 72 O GLU A 5 7.216 1.643 -6.527 1.00 0.00 O ATOM 73 CB GLU A 5 4.074 1.965 -7.014 1.00 0.00 C ATOM 74 CG GLU A 5 3.266 1.694 -5.710 1.00 0.00 C ATOM 75 CD GLU A 5 1.868 1.079 -5.931 1.00 0.00 C ATOM 76 OE1 GLU A 5 1.757 0.059 -6.637 1.00 0.00 O ATOM 77 OE2 GLU A 5 0.876 1.586 -5.352 1.00 0.00 O ATOM 0 H GLU A 5 3.638 -0.589 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 5 5.494 1.121 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.598 2.914 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.369 2.084 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.845 1.025 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.153 2.633 -5.168 1.00 0.00 H new ATOM 84 N MET A 6 6.178 -0.027 -5.396 1.00 0.00 N ATOM 85 CA MET A 6 7.246 -0.274 -4.400 1.00 0.00 C ATOM 86 C MET A 6 8.475 -0.920 -5.073 1.00 0.00 C ATOM 87 O MET A 6 9.619 -0.641 -4.698 1.00 0.00 O ATOM 88 CB MET A 6 6.701 -1.180 -3.263 1.00 0.00 C ATOM 89 CG MET A 6 7.707 -1.555 -2.162 1.00 0.00 C ATOM 90 SD MET A 6 6.988 -2.639 -0.904 1.00 0.00 S ATOM 91 CE MET A 6 5.672 -1.613 -0.235 1.00 0.00 C ATOM 0 H MET A 6 5.345 -0.595 -5.243 1.00 0.00 H new ATOM 0 HA MET A 6 7.560 0.678 -3.971 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.854 -0.676 -2.798 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.320 -2.099 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.567 -2.049 -2.614 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.075 -0.646 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.661 -1.698 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.842 -0.574 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.713 -1.944 -0.634 1.00 0.00 H new ATOM 101 N GLY A 7 8.203 -1.772 -6.083 1.00 0.00 N ATOM 102 CA GLY A 7 9.234 -2.417 -6.899 1.00 0.00 C ATOM 103 C GLY A 7 9.873 -1.448 -7.878 1.00 0.00 C ATOM 104 O GLY A 7 11.073 -1.536 -8.161 1.00 0.00 O ATOM 0 H GLY A 7 7.253 -2.029 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.002 -2.835 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.794 -3.250 -7.448 1.00 0.00 H new ATOM 108 N THR A 8 9.051 -0.520 -8.405 1.00 0.00 N ATOM 109 CA THR A 8 9.521 0.567 -9.282 1.00 0.00 C ATOM 110 C THR A 8 10.310 1.615 -8.458 1.00 0.00 C ATOM 111 O THR A 8 11.198 2.287 -8.989 1.00 0.00 O ATOM 112 CB THR A 8 8.327 1.260 -10.029 1.00 0.00 C ATOM 113 OG1 THR A 8 7.496 0.258 -10.638 1.00 0.00 O ATOM 114 CG2 THR A 8 8.792 2.245 -11.126 1.00 0.00 C ATOM 0 H THR A 8 8.045 -0.504 -8.235 1.00 0.00 H new ATOM 0 HA THR A 8 10.178 0.128 -10.033 1.00 0.00 H new ATOM 0 HB THR A 8 7.777 1.831 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.052 -0.268 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.922 2.692 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.401 3.029 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.382 1.709 -11.870 1.00 0.00 H new ATOM 122 N ALA A 9 9.959 1.739 -7.151 1.00 0.00 N ATOM 123 CA ALA A 9 10.637 2.648 -6.197 1.00 0.00 C ATOM 124 C ALA A 9 11.994 2.065 -5.797 1.00 0.00 C ATOM 125 O ALA A 9 12.972 2.790 -5.682 1.00 0.00 O ATOM 126 CB ALA A 9 9.762 2.896 -4.946 1.00 0.00 C ATOM 0 H ALA A 9 9.196 1.209 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 9 10.794 3.608 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.285 3.566 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.817 3.349 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.567 1.948 -4.445 1.00 0.00 H new ATOM 132 N LYS A 10 12.013 0.737 -5.600 1.00 0.00 N ATOM 133 CA LYS A 10 13.237 -0.052 -5.330 1.00 0.00 C ATOM 134 C LYS A 10 14.217 0.082 -6.514 1.00 0.00 C ATOM 135 O LYS A 10 15.417 0.342 -6.326 1.00 0.00 O ATOM 136 CB LYS A 10 12.830 -1.547 -5.035 1.00 0.00 C ATOM 137 CG LYS A 10 13.976 -2.615 -5.032 1.00 0.00 C ATOM 138 CD LYS A 10 14.250 -3.228 -6.442 1.00 0.00 C ATOM 139 CE LYS A 10 15.312 -4.337 -6.429 1.00 0.00 C ATOM 140 NZ LYS A 10 14.856 -5.522 -5.648 1.00 0.00 N ATOM 0 H LYS A 10 11.167 0.167 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 10 13.756 0.327 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.338 -1.577 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.090 -1.848 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.891 -2.155 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.716 -3.415 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.319 -3.631 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.571 -2.436 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.537 -4.639 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.237 -3.951 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.522 -5.702 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.910 -5.338 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.818 -6.354 -6.270 1.00 0.00 H new ATOM 154 N LYS A 11 13.658 -0.093 -7.727 1.00 0.00 N ATOM 155 CA LYS A 11 14.379 0.037 -9.005 1.00 0.00 C ATOM 156 C LYS A 11 14.925 1.467 -9.162 1.00 0.00 C ATOM 157 O LYS A 11 16.085 1.658 -9.520 1.00 0.00 O ATOM 158 CB LYS A 11 13.416 -0.309 -10.177 1.00 0.00 C ATOM 159 CG LYS A 11 14.029 -0.192 -11.590 1.00 0.00 C ATOM 160 CD LYS A 11 15.222 -1.150 -11.813 1.00 0.00 C ATOM 161 CE LYS A 11 15.783 -1.060 -13.232 1.00 0.00 C ATOM 162 NZ LYS A 11 16.902 -2.003 -13.455 1.00 0.00 N ATOM 0 H LYS A 11 12.674 -0.333 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 11 15.221 -0.655 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.053 -1.328 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.549 0.349 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.259 -0.401 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.359 0.834 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.011 -0.917 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.905 -2.174 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.988 -1.267 -13.948 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.125 -0.043 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.249 -1.905 -14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.673 -1.790 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.571 -2.977 -13.301 1.00 0.00 H new ATOM 176 N GLY A 12 14.060 2.454 -8.852 1.00 0.00 N ATOM 177 CA GLY A 12 14.413 3.870 -8.940 1.00 0.00 C ATOM 178 C GLY A 12 15.567 4.243 -8.023 1.00 0.00 C ATOM 179 O GLY A 12 16.520 4.894 -8.445 1.00 0.00 O ATOM 0 H GLY A 12 13.105 2.285 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.679 4.111 -9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.542 4.474 -8.686 1.00 0.00 H new ATOM 183 N LEU A 13 15.462 3.807 -6.753 1.00 0.00 N ATOM 184 CA LEU A 13 16.483 4.033 -5.711 1.00 0.00 C ATOM 185 C LEU A 13 17.836 3.450 -6.148 1.00 0.00 C ATOM 186 O LEU A 13 18.870 4.077 -5.939 1.00 0.00 O ATOM 187 CB LEU A 13 15.999 3.441 -4.350 1.00 0.00 C ATOM 188 CG LEU A 13 14.874 4.269 -3.622 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.089 3.428 -2.593 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.465 5.531 -2.964 1.00 0.00 C ATOM 0 H LEU A 13 14.655 3.281 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 13 16.625 5.105 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.630 2.430 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.857 3.358 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 13 14.160 4.574 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.327 4.048 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.612 2.588 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.773 3.053 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.671 6.088 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.218 5.241 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.925 6.158 -3.728 1.00 0.00 H new ATOM 202 N LEU A 14 17.796 2.282 -6.818 1.00 0.00 N ATOM 203 CA LEU A 14 18.994 1.635 -7.387 1.00 0.00 C ATOM 204 C LEU A 14 19.628 2.569 -8.453 1.00 0.00 C ATOM 205 O LEU A 14 20.779 2.973 -8.317 1.00 0.00 O ATOM 206 CB LEU A 14 18.610 0.239 -7.983 1.00 0.00 C ATOM 207 CG LEU A 14 19.758 -0.815 -8.222 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.158 -2.208 -8.507 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.732 -0.414 -9.359 1.00 0.00 C ATOM 0 H LEU A 14 16.934 1.761 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 14 19.736 1.465 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.875 -0.215 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.113 0.411 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 14 20.343 -0.844 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.963 -2.925 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.556 -2.526 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.531 -2.159 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.497 -1.182 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.179 -0.314 -10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.206 0.537 -9.114 1.00 0.00 H new ATOM 221 N GLU A 15 18.830 2.941 -9.475 1.00 0.00 N ATOM 222 CA GLU A 15 19.319 3.688 -10.661 1.00 0.00 C ATOM 223 C GLU A 15 19.858 5.087 -10.281 1.00 0.00 C ATOM 224 O GLU A 15 20.943 5.484 -10.712 1.00 0.00 O ATOM 225 CB GLU A 15 18.191 3.836 -11.724 1.00 0.00 C ATOM 226 CG GLU A 15 17.570 2.510 -12.209 1.00 0.00 C ATOM 227 CD GLU A 15 18.590 1.515 -12.782 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.135 1.772 -13.879 1.00 0.00 O ATOM 229 OE2 GLU A 15 18.848 0.468 -12.157 1.00 0.00 O ATOM 0 H GLU A 15 17.832 2.735 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 15 20.141 3.110 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.400 4.459 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.593 4.367 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.047 2.040 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.823 2.728 -12.972 1.00 0.00 H new ATOM 236 N HIS A 16 19.084 5.810 -9.457 1.00 0.00 N ATOM 237 CA HIS A 16 19.347 7.232 -9.106 1.00 0.00 C ATOM 238 C HIS A 16 20.229 7.366 -7.844 1.00 0.00 C ATOM 239 O HIS A 16 20.727 8.456 -7.548 1.00 0.00 O ATOM 240 CB HIS A 16 18.003 7.988 -8.916 1.00 0.00 C ATOM 241 CG HIS A 16 17.096 7.932 -10.123 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.304 8.686 -11.255 1.00 0.00 N ATOM 243 CD2 HIS A 16 15.992 7.185 -10.378 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.368 8.409 -12.146 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.564 7.498 -11.639 1.00 0.00 N ATOM 0 H HIS A 16 18.251 5.431 -9.008 1.00 0.00 H new ATOM 0 HA HIS A 16 19.900 7.681 -9.931 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.478 7.567 -8.059 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.214 9.031 -8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.534 6.473 -9.707 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.278 8.855 -13.125 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.755 7.092 -12.109 1.00 0.00 H new ATOM 254 N GLY A 17 20.404 6.257 -7.107 1.00 0.00 N ATOM 255 CA GLY A 17 21.318 6.205 -5.959 1.00 0.00 C ATOM 256 C GLY A 17 20.757 6.907 -4.718 1.00 0.00 C ATOM 257 O GLY A 17 21.349 7.878 -4.235 1.00 0.00 O ATOM 0 H GLY A 17 19.919 5.379 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.530 5.164 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 17 22.266 6.667 -6.234 1.00 0.00 H new ATOM 261 N ARG A 18 19.565 6.446 -4.261 1.00 0.00 N ATOM 262 CA ARG A 18 18.927 6.864 -2.978 1.00 0.00 C ATOM 263 C ARG A 18 18.410 8.328 -3.019 1.00 0.00 C ATOM 264 O ARG A 18 17.969 8.874 -1.991 1.00 0.00 O ATOM 265 CB ARG A 18 19.911 6.648 -1.782 1.00 0.00 C ATOM 266 CG ARG A 18 19.259 6.490 -0.389 1.00 0.00 C ATOM 267 CD ARG A 18 18.442 5.190 -0.244 1.00 0.00 C ATOM 268 NE ARG A 18 18.016 4.967 1.145 1.00 0.00 N ATOM 269 CZ ARG A 18 18.441 3.974 1.947 1.00 0.00 C ATOM 270 NH1 ARG A 18 19.265 3.025 1.498 1.00 0.00 N ATOM 271 NH2 ARG A 18 18.036 3.939 3.202 1.00 0.00 N ATOM 0 H ARG A 18 19.009 5.764 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 18 18.052 6.230 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.508 5.759 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.599 7.493 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.038 6.509 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.608 7.344 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.565 5.237 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.041 4.344 -0.581 1.00 0.00 H new ATOM 0 HE ARG A 18 17.339 5.623 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.585 3.044 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.575 2.281 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.407 4.660 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.352 3.191 3.819 1.00 0.00 H new ATOM 285 N ASN A 19 18.452 8.953 -4.212 1.00 0.00 N ATOM 286 CA ASN A 19 18.094 10.366 -4.392 1.00 0.00 C ATOM 287 C ASN A 19 16.562 10.532 -4.339 1.00 0.00 C ATOM 288 O ASN A 19 15.884 10.375 -5.355 1.00 0.00 O ATOM 289 CB ASN A 19 18.668 10.911 -5.729 1.00 0.00 C ATOM 290 CG ASN A 19 18.437 12.414 -5.892 1.00 0.00 C ATOM 291 OD1 ASN A 19 17.401 12.848 -6.386 1.00 0.00 O ATOM 292 ND2 ASN A 19 19.396 13.219 -5.453 1.00 0.00 N ATOM 0 H ASN A 19 18.735 8.489 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 19 18.533 10.947 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.737 10.703 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.205 10.382 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.284 14.231 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.246 12.826 -5.047 1.00 0.00 H new ATOM 299 N TRP A 20 16.054 10.861 -3.138 1.00 0.00 N ATOM 300 CA TRP A 20 14.607 10.911 -2.812 1.00 0.00 C ATOM 301 C TRP A 20 13.802 11.790 -3.782 1.00 0.00 C ATOM 302 O TRP A 20 12.654 11.479 -4.101 1.00 0.00 O ATOM 303 CB TRP A 20 14.422 11.446 -1.376 1.00 0.00 C ATOM 304 CG TRP A 20 15.250 10.714 -0.342 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.380 11.171 0.293 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.031 9.380 0.142 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.853 10.211 1.148 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.051 9.102 1.068 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.067 8.397 -0.116 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.133 7.887 1.730 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.149 7.192 0.542 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.181 6.944 1.456 1.00 0.00 C ATOM 0 H TRP A 20 16.647 11.106 -2.345 1.00 0.00 H new ATOM 0 HA TRP A 20 14.226 9.894 -2.903 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.684 12.504 -1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.369 11.373 -1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.828 12.142 0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.672 10.306 1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.271 8.583 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.923 7.691 2.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.409 6.428 0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.226 5.987 1.955 1.00 0.00 H new ATOM 323 N SER A 21 14.437 12.877 -4.235 1.00 0.00 N ATOM 324 CA SER A 21 13.828 13.861 -5.135 1.00 0.00 C ATOM 325 C SER A 21 13.525 13.237 -6.505 1.00 0.00 C ATOM 326 O SER A 21 12.437 13.431 -7.057 1.00 0.00 O ATOM 327 CB SER A 21 14.784 15.056 -5.286 1.00 0.00 C ATOM 328 OG SER A 21 15.167 15.570 -4.014 1.00 0.00 O ATOM 0 H SER A 21 15.400 13.100 -3.983 1.00 0.00 H new ATOM 0 HA SER A 21 12.882 14.199 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.671 14.748 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.301 15.841 -5.868 1.00 0.00 H new ATOM 0 HG SER A 21 15.776 16.328 -4.137 1.00 0.00 H new ATOM 334 N ALA A 22 14.498 12.460 -7.015 1.00 0.00 N ATOM 335 CA ALA A 22 14.374 11.766 -8.301 1.00 0.00 C ATOM 336 C ALA A 22 13.303 10.662 -8.222 1.00 0.00 C ATOM 337 O ALA A 22 12.551 10.457 -9.174 1.00 0.00 O ATOM 338 CB ALA A 22 15.727 11.170 -8.718 1.00 0.00 C ATOM 0 H ALA A 22 15.389 12.299 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 22 14.064 12.490 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.620 10.658 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.462 11.969 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.060 10.460 -7.961 1.00 0.00 H new ATOM 344 N ILE A 23 13.226 9.978 -7.062 1.00 0.00 N ATOM 345 CA ILE A 23 12.335 8.798 -6.879 1.00 0.00 C ATOM 346 C ILE A 23 10.873 9.248 -6.762 1.00 0.00 C ATOM 347 O ILE A 23 9.999 8.694 -7.416 1.00 0.00 O ATOM 348 CB ILE A 23 12.700 7.932 -5.618 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.237 7.777 -5.468 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.000 6.540 -5.663 1.00 0.00 C ATOM 351 CD1 ILE A 23 14.982 7.319 -6.700 1.00 0.00 C ATOM 0 H ILE A 23 13.769 10.218 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 23 12.478 8.174 -7.761 1.00 0.00 H new ATOM 0 HB ILE A 23 12.330 8.461 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.650 8.736 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.434 7.067 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.273 5.967 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.919 6.677 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.318 6.002 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.046 7.247 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.609 6.342 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.829 8.037 -7.506 1.00 0.00 H new ATOM 363 N ALA A 24 10.644 10.278 -5.935 1.00 0.00 N ATOM 364 CA ALA A 24 9.305 10.862 -5.718 1.00 0.00 C ATOM 365 C ALA A 24 8.755 11.479 -7.013 1.00 0.00 C ATOM 366 O ALA A 24 7.549 11.574 -7.188 1.00 0.00 O ATOM 367 CB ALA A 24 9.354 11.919 -4.609 1.00 0.00 C ATOM 0 H ALA A 24 11.380 10.733 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 24 8.635 10.059 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.359 12.339 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.694 11.458 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.045 12.713 -4.893 1.00 0.00 H new ATOM 373 N ARG A 25 9.667 11.904 -7.905 1.00 0.00 N ATOM 374 CA ARG A 25 9.326 12.421 -9.246 1.00 0.00 C ATOM 375 C ARG A 25 9.056 11.255 -10.225 1.00 0.00 C ATOM 376 O ARG A 25 8.168 11.338 -11.078 1.00 0.00 O ATOM 377 CB ARG A 25 10.492 13.306 -9.761 1.00 0.00 C ATOM 378 CG ARG A 25 10.312 13.868 -11.188 1.00 0.00 C ATOM 379 CD ARG A 25 11.548 14.647 -11.661 1.00 0.00 C ATOM 380 NE ARG A 25 11.419 15.103 -13.054 1.00 0.00 N ATOM 381 CZ ARG A 25 12.421 15.587 -13.802 1.00 0.00 C ATOM 382 NH1 ARG A 25 13.653 15.678 -13.312 1.00 0.00 N ATOM 383 NH2 ARG A 25 12.184 15.968 -15.046 1.00 0.00 N ATOM 0 H ARG A 25 10.669 11.899 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 25 8.418 13.021 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.624 14.141 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.411 12.721 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.115 13.048 -11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.440 14.522 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.703 15.509 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.431 14.015 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 25 10.496 15.047 -13.484 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.845 15.378 -12.356 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.406 16.048 -13.892 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.243 15.893 -15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.942 16.337 -15.620 1.00 0.00 H new ATOM 397 N MET A 26 9.821 10.166 -10.069 1.00 0.00 N ATOM 398 CA MET A 26 9.781 8.999 -10.977 1.00 0.00 C ATOM 399 C MET A 26 8.509 8.157 -10.760 1.00 0.00 C ATOM 400 O MET A 26 7.699 7.987 -11.680 1.00 0.00 O ATOM 401 CB MET A 26 11.061 8.137 -10.741 1.00 0.00 C ATOM 402 CG MET A 26 11.125 6.799 -11.491 1.00 0.00 C ATOM 403 SD MET A 26 12.656 5.902 -11.142 1.00 0.00 S ATOM 404 CE MET A 26 12.380 4.362 -12.023 1.00 0.00 C ATOM 0 H MET A 26 10.491 10.064 -9.306 1.00 0.00 H new ATOM 0 HA MET A 26 9.757 9.352 -12.008 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.931 8.730 -11.024 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.146 7.936 -9.673 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.271 6.183 -11.208 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.047 6.980 -12.563 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.244 3.710 -11.896 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.493 3.870 -11.626 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.235 4.570 -13.083 1.00 0.00 H new ATOM 414 N VAL A 27 8.351 7.632 -9.538 1.00 0.00 N ATOM 415 CA VAL A 27 7.243 6.730 -9.179 1.00 0.00 C ATOM 416 C VAL A 27 5.997 7.507 -8.728 1.00 0.00 C ATOM 417 O VAL A 27 4.869 7.086 -8.999 1.00 0.00 O ATOM 418 CB VAL A 27 7.694 5.680 -8.087 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.953 4.922 -8.571 1.00 0.00 C ATOM 420 CG2 VAL A 27 7.948 6.323 -6.692 1.00 0.00 C ATOM 0 H VAL A 27 8.990 7.820 -8.765 1.00 0.00 H new ATOM 0 HA VAL A 27 6.968 6.179 -10.078 1.00 0.00 H new ATOM 0 HB VAL A 27 6.869 4.979 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.257 4.200 -7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.728 4.399 -9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.762 5.632 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.255 5.551 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.735 7.073 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.032 6.796 -6.337 1.00 0.00 H new ATOM 430 N GLY A 28 6.215 8.606 -7.982 1.00 0.00 N ATOM 431 CA GLY A 28 5.122 9.428 -7.470 1.00 0.00 C ATOM 432 C GLY A 28 4.631 10.474 -8.468 1.00 0.00 C ATOM 433 O GLY A 28 3.418 10.627 -8.671 1.00 0.00 O ATOM 0 H GLY A 28 7.144 8.939 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.289 8.781 -7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.451 9.931 -6.560 1.00 0.00 H new ATOM 437 N SER A 29 5.601 11.175 -9.091 1.00 0.00 N ATOM 438 CA SER A 29 5.377 12.454 -9.813 1.00 0.00 C ATOM 439 C SER A 29 4.831 13.525 -8.826 1.00 0.00 C ATOM 440 O SER A 29 4.121 14.463 -9.205 1.00 0.00 O ATOM 441 CB SER A 29 4.456 12.251 -11.050 1.00 0.00 C ATOM 442 OG SER A 29 4.372 13.416 -11.855 1.00 0.00 O ATOM 0 H SER A 29 6.574 10.869 -9.110 1.00 0.00 H new ATOM 0 HA SER A 29 6.328 12.817 -10.203 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.835 11.424 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.457 11.971 -10.715 1.00 0.00 H new ATOM 0 HG SER A 29 4.240 14.200 -11.283 1.00 0.00 H new ATOM 448 N LYS A 30 5.234 13.384 -7.539 1.00 0.00 N ATOM 449 CA LYS A 30 4.741 14.194 -6.407 1.00 0.00 C ATOM 450 C LYS A 30 5.922 14.848 -5.660 1.00 0.00 C ATOM 451 O LYS A 30 7.064 14.836 -6.145 1.00 0.00 O ATOM 452 CB LYS A 30 3.912 13.293 -5.430 1.00 0.00 C ATOM 453 CG LYS A 30 2.669 12.600 -6.040 1.00 0.00 C ATOM 454 CD LYS A 30 1.686 13.585 -6.721 1.00 0.00 C ATOM 455 CE LYS A 30 1.080 14.614 -5.756 1.00 0.00 C ATOM 456 NZ LYS A 30 0.257 15.615 -6.471 1.00 0.00 N ATOM 0 H LYS A 30 5.925 12.689 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 30 4.097 14.984 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.572 12.524 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.586 13.906 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.997 11.862 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.142 12.058 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.208 14.112 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.880 13.017 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.467 14.101 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.879 15.120 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.136 16.293 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.848 16.121 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.520 15.135 -6.968 1.00 0.00 H new ATOM 470 N THR A 31 5.615 15.418 -4.481 1.00 0.00 N ATOM 471 CA THR A 31 6.585 16.063 -3.584 1.00 0.00 C ATOM 472 C THR A 31 7.669 15.071 -3.105 1.00 0.00 C ATOM 473 O THR A 31 7.394 13.884 -2.930 1.00 0.00 O ATOM 474 CB THR A 31 5.812 16.667 -2.356 1.00 0.00 C ATOM 475 OG1 THR A 31 4.721 17.478 -2.829 1.00 0.00 O ATOM 476 CG2 THR A 31 6.702 17.518 -1.433 1.00 0.00 C ATOM 0 H THR A 31 4.662 15.442 -4.119 1.00 0.00 H new ATOM 0 HA THR A 31 7.097 16.855 -4.131 1.00 0.00 H new ATOM 0 HB THR A 31 5.452 15.823 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.237 17.854 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.105 17.904 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.511 16.903 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.121 18.351 -1.998 1.00 0.00 H new ATOM 484 N VAL A 32 8.895 15.583 -2.886 1.00 0.00 N ATOM 485 CA VAL A 32 10.060 14.782 -2.422 1.00 0.00 C ATOM 486 C VAL A 32 9.758 14.046 -1.100 1.00 0.00 C ATOM 487 O VAL A 32 10.234 12.919 -0.875 1.00 0.00 O ATOM 488 CB VAL A 32 11.327 15.693 -2.249 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.565 14.903 -1.720 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.646 16.433 -3.571 1.00 0.00 C ATOM 0 H VAL A 32 9.114 16.570 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 32 10.261 14.032 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 32 11.092 16.435 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.413 15.581 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.331 14.467 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.817 14.109 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.527 17.060 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.838 15.704 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.797 17.056 -3.853 1.00 0.00 H new ATOM 500 N SER A 33 8.927 14.697 -0.261 1.00 0.00 N ATOM 501 CA SER A 33 8.501 14.184 1.055 1.00 0.00 C ATOM 502 C SER A 33 7.793 12.815 0.943 1.00 0.00 C ATOM 503 O SER A 33 7.871 12.000 1.862 1.00 0.00 O ATOM 504 CB SER A 33 7.570 15.222 1.734 1.00 0.00 C ATOM 505 OG SER A 33 7.279 14.880 3.078 1.00 0.00 O ATOM 0 H SER A 33 8.527 15.609 -0.483 1.00 0.00 H new ATOM 0 HA SER A 33 9.392 14.032 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.041 16.204 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.640 15.297 1.170 1.00 0.00 H new ATOM 0 HG SER A 33 6.691 15.560 3.469 1.00 0.00 H new ATOM 511 N GLN A 34 7.131 12.569 -0.208 1.00 0.00 N ATOM 512 CA GLN A 34 6.406 11.308 -0.482 1.00 0.00 C ATOM 513 C GLN A 34 7.347 10.083 -0.407 1.00 0.00 C ATOM 514 O GLN A 34 7.041 9.113 0.292 1.00 0.00 O ATOM 515 CB GLN A 34 5.711 11.374 -1.873 1.00 0.00 C ATOM 516 CG GLN A 34 4.944 10.099 -2.299 1.00 0.00 C ATOM 517 CD GLN A 34 3.803 9.709 -1.347 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.992 8.949 -0.395 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.610 10.219 -1.605 1.00 0.00 N ATOM 0 H GLN A 34 7.084 13.240 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 34 5.645 11.189 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.014 12.212 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.468 11.590 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.534 10.250 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.648 9.269 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.484 10.845 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.816 9.986 -1.009 1.00 0.00 H new ATOM 528 N CYS A 35 8.505 10.163 -1.100 1.00 0.00 N ATOM 529 CA CYS A 35 9.475 9.045 -1.181 1.00 0.00 C ATOM 530 C CYS A 35 10.136 8.781 0.182 1.00 0.00 C ATOM 531 O CYS A 35 10.372 7.621 0.551 1.00 0.00 O ATOM 532 CB CYS A 35 10.565 9.321 -2.238 1.00 0.00 C ATOM 533 SG CYS A 35 11.748 7.972 -2.434 1.00 0.00 S ATOM 0 H CYS A 35 8.793 10.995 -1.615 1.00 0.00 H new ATOM 0 HA CYS A 35 8.914 8.159 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.086 9.514 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.104 10.227 -1.962 1.00 0.00 H new ATOM 0 HG CYS A 35 12.416 7.817 -1.330 1.00 0.00 H new ATOM 539 N LYS A 36 10.430 9.871 0.921 1.00 0.00 N ATOM 540 CA LYS A 36 11.023 9.774 2.267 1.00 0.00 C ATOM 541 C LYS A 36 10.052 9.094 3.243 1.00 0.00 C ATOM 542 O LYS A 36 10.385 8.070 3.830 1.00 0.00 O ATOM 543 CB LYS A 36 11.423 11.170 2.818 1.00 0.00 C ATOM 544 CG LYS A 36 12.656 11.813 2.144 1.00 0.00 C ATOM 545 CD LYS A 36 13.259 12.968 2.982 1.00 0.00 C ATOM 546 CE LYS A 36 13.682 12.505 4.397 1.00 0.00 C ATOM 547 NZ LYS A 36 14.253 13.606 5.203 1.00 0.00 N ATOM 0 H LYS A 36 10.266 10.827 0.606 1.00 0.00 H new ATOM 0 HA LYS A 36 11.925 9.168 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.574 11.844 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.619 11.079 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.417 11.049 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.372 12.191 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.125 13.378 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.528 13.772 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.817 12.090 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.416 11.704 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.521 13.247 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.095 13.986 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.546 14.361 5.310 1.00 0.00 H new ATOM 561 N ASN A 37 8.840 9.670 3.363 1.00 0.00 N ATOM 562 CA ASN A 37 7.810 9.210 4.322 1.00 0.00 C ATOM 563 C ASN A 37 7.411 7.750 4.042 1.00 0.00 C ATOM 564 O ASN A 37 7.169 6.984 4.977 1.00 0.00 O ATOM 565 CB ASN A 37 6.555 10.125 4.278 1.00 0.00 C ATOM 566 CG ASN A 37 6.824 11.549 4.780 1.00 0.00 C ATOM 567 OD1 ASN A 37 7.664 11.771 5.657 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.124 12.524 4.219 1.00 0.00 N ATOM 0 H ASN A 37 8.545 10.467 2.799 1.00 0.00 H new ATOM 0 HA ASN A 37 8.242 9.267 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.184 10.172 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.766 9.677 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.272 13.490 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.437 12.308 3.497 1.00 0.00 H new ATOM 575 N PHE A 38 7.367 7.388 2.740 1.00 0.00 N ATOM 576 CA PHE A 38 7.168 5.996 2.282 1.00 0.00 C ATOM 577 C PHE A 38 8.209 5.060 2.920 1.00 0.00 C ATOM 578 O PHE A 38 7.867 3.982 3.394 1.00 0.00 O ATOM 579 CB PHE A 38 7.255 5.930 0.725 1.00 0.00 C ATOM 580 CG PHE A 38 7.441 4.531 0.124 1.00 0.00 C ATOM 581 CD1 PHE A 38 6.523 3.507 0.373 1.00 0.00 C ATOM 582 CD2 PHE A 38 8.552 4.234 -0.678 1.00 0.00 C ATOM 583 CE1 PHE A 38 6.701 2.248 -0.170 1.00 0.00 C ATOM 584 CE2 PHE A 38 8.722 2.973 -1.219 1.00 0.00 C ATOM 585 CZ PHE A 38 7.801 1.981 -0.958 1.00 0.00 C ATOM 0 H PHE A 38 7.469 8.056 1.976 1.00 0.00 H new ATOM 0 HA PHE A 38 6.178 5.664 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.345 6.364 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.085 6.558 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.664 3.702 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.286 5.001 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.976 1.471 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.576 2.765 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.941 0.993 -1.371 1.00 0.00 H new ATOM 595 N TYR A 39 9.472 5.498 2.929 1.00 0.00 N ATOM 596 CA TYR A 39 10.597 4.696 3.438 1.00 0.00 C ATOM 597 C TYR A 39 10.567 4.605 4.991 1.00 0.00 C ATOM 598 O TYR A 39 11.248 3.763 5.579 1.00 0.00 O ATOM 599 CB TYR A 39 11.938 5.296 2.933 1.00 0.00 C ATOM 600 CG TYR A 39 13.058 4.268 2.775 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.180 3.527 1.595 1.00 0.00 C ATOM 602 CD2 TYR A 39 13.984 4.033 3.790 1.00 0.00 C ATOM 603 CE1 TYR A 39 14.189 2.596 1.439 1.00 0.00 C ATOM 604 CE2 TYR A 39 14.991 3.103 3.640 1.00 0.00 C ATOM 605 CZ TYR A 39 15.089 2.386 2.463 1.00 0.00 C ATOM 606 OH TYR A 39 16.105 1.468 2.306 1.00 0.00 O ATOM 0 H TYR A 39 9.747 6.418 2.584 1.00 0.00 H new ATOM 0 HA TYR A 39 10.504 3.679 3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.768 5.783 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.264 6.069 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.474 3.685 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.911 4.590 4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.273 2.035 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.699 2.936 4.438 1.00 0.00 H new ATOM 0 HH TYR A 39 16.475 1.236 3.183 1.00 0.00 H new ATOM 616 N PHE A 40 9.813 5.513 5.644 1.00 0.00 N ATOM 617 CA PHE A 40 9.565 5.460 7.107 1.00 0.00 C ATOM 618 C PHE A 40 8.445 4.447 7.442 1.00 0.00 C ATOM 619 O PHE A 40 8.470 3.824 8.512 1.00 0.00 O ATOM 620 CB PHE A 40 9.238 6.877 7.669 1.00 0.00 C ATOM 621 CG PHE A 40 10.457 7.793 7.845 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.239 8.166 6.758 1.00 0.00 C ATOM 623 CD2 PHE A 40 10.828 8.266 9.107 1.00 0.00 C ATOM 624 CE1 PHE A 40 12.346 8.979 6.915 1.00 0.00 C ATOM 625 CE2 PHE A 40 11.936 9.080 9.265 1.00 0.00 C ATOM 626 CZ PHE A 40 12.693 9.435 8.169 1.00 0.00 C ATOM 0 H PHE A 40 9.360 6.300 5.180 1.00 0.00 H new ATOM 0 HA PHE A 40 10.478 5.115 7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.528 7.364 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.742 6.765 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.977 7.814 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.241 7.992 9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.939 9.257 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.208 9.437 10.247 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.558 10.070 8.293 1.00 0.00 H new ATOM 770 N LEU A 48 16.755 -2.748 0.856 1.00 0.00 N ATOM 771 CA LEU A 48 17.088 -1.685 -0.114 1.00 0.00 C ATOM 772 C LEU A 48 18.421 -1.022 0.260 1.00 0.00 C ATOM 773 O LEU A 48 19.164 -0.604 -0.619 1.00 0.00 O ATOM 774 CB LEU A 48 15.915 -0.659 -0.217 1.00 0.00 C ATOM 775 CG LEU A 48 15.954 0.413 -1.367 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.910 1.591 -1.079 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.254 -0.237 -2.734 1.00 0.00 C ATOM 0 HA LEU A 48 17.216 -2.123 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.989 -1.224 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.857 -0.125 0.732 1.00 0.00 H new ATOM 0 HG LEU A 48 14.954 0.844 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.886 2.291 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.595 2.101 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.924 1.213 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.274 0.532 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.222 -0.737 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.479 -0.966 -2.968 1.00 0.00 H new ATOM 789 N ASP A 49 18.709 -0.944 1.566 1.00 0.00 N ATOM 790 CA ASP A 49 20.000 -0.438 2.084 1.00 0.00 C ATOM 791 C ASP A 49 21.189 -1.253 1.527 1.00 0.00 C ATOM 792 O ASP A 49 22.243 -0.692 1.183 1.00 0.00 O ATOM 793 CB ASP A 49 19.992 -0.458 3.632 1.00 0.00 C ATOM 794 CG ASP A 49 18.984 0.542 4.229 1.00 0.00 C ATOM 795 OD1 ASP A 49 17.793 0.193 4.377 1.00 0.00 O ATOM 796 OD2 ASP A 49 19.370 1.691 4.518 1.00 0.00 O ATOM 0 H ASP A 49 18.058 -1.228 2.298 1.00 0.00 H new ATOM 0 HA ASP A 49 20.126 0.591 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.750 -1.463 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.991 -0.226 4.000 1.00 0.00 H new ATOM 801 N GLU A 50 20.978 -2.576 1.403 1.00 0.00 N ATOM 802 CA GLU A 50 21.961 -3.499 0.813 1.00 0.00 C ATOM 803 C GLU A 50 22.035 -3.303 -0.718 1.00 0.00 C ATOM 804 O GLU A 50 23.118 -3.148 -1.268 1.00 0.00 O ATOM 805 CB GLU A 50 21.614 -4.973 1.160 1.00 0.00 C ATOM 806 CG GLU A 50 22.630 -6.021 0.643 1.00 0.00 C ATOM 807 CD GLU A 50 24.014 -5.924 1.306 1.00 0.00 C ATOM 808 OE1 GLU A 50 24.864 -5.131 0.840 1.00 0.00 O ATOM 809 OE2 GLU A 50 24.264 -6.642 2.296 1.00 0.00 O ATOM 0 H GLU A 50 20.120 -3.034 1.710 1.00 0.00 H new ATOM 0 HA GLU A 50 22.939 -3.273 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.536 -5.067 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.632 -5.206 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.226 -7.019 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.744 -5.902 -0.434 1.00 0.00 H new ATOM 816 N ILE A 51 20.855 -3.282 -1.372 1.00 0.00 N ATOM 817 CA ILE A 51 20.706 -3.089 -2.844 1.00 0.00 C ATOM 818 C ILE A 51 21.390 -1.780 -3.312 1.00 0.00 C ATOM 819 O ILE A 51 21.991 -1.723 -4.398 1.00 0.00 O ATOM 820 CB ILE A 51 19.171 -3.049 -3.224 1.00 0.00 C ATOM 821 CG1 ILE A 51 18.479 -4.406 -2.877 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.935 -2.669 -4.711 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.964 -4.405 -3.018 1.00 0.00 C ATOM 0 H ILE A 51 19.962 -3.400 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 51 21.191 -3.926 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 51 18.716 -2.262 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.889 -5.182 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.734 -4.676 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.865 -2.656 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.354 -1.682 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.420 -3.402 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.574 -5.388 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.537 -3.656 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.695 -4.170 -4.048 1.00 0.00 H new ATOM 835 N LEU A 52 21.306 -0.757 -2.455 1.00 0.00 N ATOM 836 CA LEU A 52 21.852 0.583 -2.720 1.00 0.00 C ATOM 837 C LEU A 52 23.392 0.530 -2.664 1.00 0.00 C ATOM 838 O LEU A 52 24.084 1.101 -3.520 1.00 0.00 O ATOM 839 CB LEU A 52 21.283 1.595 -1.663 1.00 0.00 C ATOM 840 CG LEU A 52 21.126 3.076 -2.111 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.470 3.779 -2.362 1.00 0.00 C ATOM 842 CD2 LEU A 52 20.197 3.157 -3.328 1.00 0.00 C ATOM 0 H LEU A 52 20.851 -0.835 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 52 21.556 0.919 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 52 20.306 1.234 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 52 21.935 1.573 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 52 20.670 3.622 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.290 4.808 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.060 3.774 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 52 23.014 3.254 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 52 20.091 4.197 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.620 2.576 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.218 2.755 -3.066 1.00 0.00 H new ATOM 854 N GLN A 53 23.893 -0.168 -1.629 1.00 0.00 N ATOM 855 CA GLN A 53 25.329 -0.401 -1.412 1.00 0.00 C ATOM 856 C GLN A 53 25.937 -1.141 -2.615 1.00 0.00 C ATOM 857 O GLN A 53 27.012 -0.775 -3.115 1.00 0.00 O ATOM 858 CB GLN A 53 25.530 -1.228 -0.110 1.00 0.00 C ATOM 859 CG GLN A 53 26.997 -1.558 0.226 1.00 0.00 C ATOM 860 CD GLN A 53 27.884 -0.323 0.434 1.00 0.00 C ATOM 861 OE1 GLN A 53 29.064 -0.340 0.094 1.00 0.00 O ATOM 862 NE2 GLN A 53 27.338 0.737 1.034 1.00 0.00 N ATOM 0 H GLN A 53 23.303 -0.591 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 53 25.836 0.558 -1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.096 -0.677 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.974 -2.161 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.024 -2.168 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.416 -2.162 -0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.355 0.720 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.904 1.564 1.222 1.00 0.00 H new ATOM 871 N GLN A 54 25.192 -2.159 -3.078 1.00 0.00 N ATOM 872 CA GLN A 54 25.575 -3.005 -4.212 1.00 0.00 C ATOM 873 C GLN A 54 25.711 -2.168 -5.491 1.00 0.00 C ATOM 874 O GLN A 54 26.686 -2.322 -6.220 1.00 0.00 O ATOM 875 CB GLN A 54 24.543 -4.149 -4.408 1.00 0.00 C ATOM 876 CG GLN A 54 24.473 -5.153 -3.241 1.00 0.00 C ATOM 877 CD GLN A 54 25.779 -5.906 -2.999 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.547 -6.173 -3.928 1.00 0.00 O ATOM 879 NE2 GLN A 54 26.035 -6.268 -1.752 1.00 0.00 N ATOM 0 H GLN A 54 24.295 -2.418 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 54 26.545 -3.452 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.556 -3.710 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.788 -4.690 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.197 -4.620 -2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.680 -5.874 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 54 25.379 -6.031 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.888 -6.784 -1.536 1.00 0.00 H new ATOM 888 N HIS A 55 24.750 -1.241 -5.713 1.00 0.00 N ATOM 889 CA HIS A 55 24.760 -0.334 -6.883 1.00 0.00 C ATOM 890 C HIS A 55 26.071 0.472 -6.941 1.00 0.00 C ATOM 891 O HIS A 55 26.652 0.657 -8.025 1.00 0.00 O ATOM 892 CB HIS A 55 23.547 0.636 -6.850 1.00 0.00 C ATOM 893 CG HIS A 55 23.601 1.723 -7.896 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.474 1.473 -9.246 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.819 3.063 -7.785 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.618 2.598 -9.921 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.824 3.574 -9.057 1.00 0.00 N ATOM 0 H HIS A 55 23.953 -1.102 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 55 24.686 -0.952 -7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.631 0.061 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.491 1.097 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.961 3.617 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.575 2.702 -10.995 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.965 4.555 -9.298 1.00 0.00 H new ATOM 906 N LYS A 56 26.520 0.947 -5.762 1.00 0.00 N ATOM 907 CA LYS A 56 27.751 1.737 -5.640 1.00 0.00 C ATOM 908 C LYS A 56 28.971 0.884 -6.023 1.00 0.00 C ATOM 909 O LYS A 56 29.639 1.173 -7.018 1.00 0.00 O ATOM 910 CB LYS A 56 27.933 2.289 -4.200 1.00 0.00 C ATOM 911 CG LYS A 56 29.203 3.169 -4.023 1.00 0.00 C ATOM 912 CD LYS A 56 29.451 3.592 -2.561 1.00 0.00 C ATOM 913 CE LYS A 56 29.931 2.422 -1.680 1.00 0.00 C ATOM 914 NZ LYS A 56 31.254 1.885 -2.126 1.00 0.00 N ATOM 0 H LYS A 56 26.039 0.792 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 56 27.668 2.583 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.055 2.876 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.982 1.452 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.071 2.620 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.108 4.062 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 56 30.195 4.388 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.531 4.003 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.006 2.756 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 56 29.190 1.623 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.648 1.273 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.128 1.333 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.906 2.675 -2.306 1.00 0.00 H new ATOM 928 N LEU A 57 29.195 -0.207 -5.254 1.00 0.00 N ATOM 929 CA LEU A 57 30.445 -0.994 -5.311 1.00 0.00 C ATOM 930 C LEU A 57 30.634 -1.726 -6.660 1.00 0.00 C ATOM 931 O LEU A 57 31.769 -1.906 -7.098 1.00 0.00 O ATOM 932 CB LEU A 57 30.547 -1.958 -4.085 1.00 0.00 C ATOM 933 CG LEU A 57 29.379 -2.991 -3.847 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.483 -4.255 -4.732 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.260 -3.353 -2.346 1.00 0.00 C ATOM 0 H LEU A 57 28.517 -0.563 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 57 31.275 -0.290 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.475 -2.522 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.638 -1.346 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 57 28.460 -2.493 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.648 -4.921 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.454 -3.967 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.421 -4.770 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.448 -4.067 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.195 -3.796 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.053 -2.451 -1.770 1.00 0.00 H new ATOM 947 N LYS A 58 29.517 -2.124 -7.308 1.00 0.00 N ATOM 948 CA LYS A 58 29.542 -2.800 -8.634 1.00 0.00 C ATOM 949 C LYS A 58 30.113 -1.862 -9.711 1.00 0.00 C ATOM 950 O LYS A 58 31.033 -2.241 -10.442 1.00 0.00 O ATOM 951 CB LYS A 58 28.120 -3.283 -9.050 1.00 0.00 C ATOM 952 CG LYS A 58 27.581 -4.474 -8.230 1.00 0.00 C ATOM 953 CD LYS A 58 26.093 -4.781 -8.526 1.00 0.00 C ATOM 954 CE LYS A 58 25.537 -5.906 -7.646 1.00 0.00 C ATOM 955 NZ LYS A 58 24.101 -6.140 -7.905 1.00 0.00 N ATOM 0 H LYS A 58 28.577 -1.989 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 58 30.188 -3.673 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.425 -2.449 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 58 28.139 -3.563 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.180 -5.359 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.699 -4.261 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.502 -3.878 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.985 -5.058 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.095 -6.824 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.681 -5.652 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.758 -6.907 -7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.566 -5.271 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.967 -6.406 -8.901 1.00 0.00 H new ATOM 969 N MET A 59 29.553 -0.641 -9.779 1.00 0.00 N ATOM 970 CA MET A 59 29.989 0.405 -10.729 1.00 0.00 C ATOM 971 C MET A 59 31.404 0.899 -10.379 1.00 0.00 C ATOM 972 O MET A 59 32.217 1.161 -11.261 1.00 0.00 O ATOM 973 CB MET A 59 28.976 1.590 -10.729 1.00 0.00 C ATOM 974 CG MET A 59 29.355 2.774 -11.645 1.00 0.00 C ATOM 975 SD MET A 59 28.137 4.114 -11.634 1.00 0.00 S ATOM 976 CE MET A 59 26.705 3.318 -12.362 1.00 0.00 C ATOM 0 H MET A 59 28.784 -0.349 -9.177 1.00 0.00 H new ATOM 0 HA MET A 59 30.018 -0.025 -11.730 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.999 1.213 -11.033 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.872 1.959 -9.709 1.00 0.00 H new ATOM 0 HG2 MET A 59 30.322 3.170 -11.333 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.474 2.410 -12.666 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.980 4.075 -12.661 1.00 0.00 H new ATOM 0 HE2 MET A 59 27.013 2.745 -13.237 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.250 2.649 -11.632 1.00 0.00 H new ATOM 986 N GLU A 60 31.678 0.971 -9.079 1.00 0.00 N ATOM 987 CA GLU A 60 32.939 1.490 -8.519 1.00 0.00 C ATOM 988 C GLU A 60 34.154 0.625 -8.925 1.00 0.00 C ATOM 989 O GLU A 60 35.160 1.155 -9.419 1.00 0.00 O ATOM 990 CB GLU A 60 32.766 1.539 -6.977 1.00 0.00 C ATOM 991 CG GLU A 60 34.008 1.892 -6.136 1.00 0.00 C ATOM 992 CD GLU A 60 33.697 1.937 -4.627 1.00 0.00 C ATOM 993 OE1 GLU A 60 33.281 0.899 -4.065 1.00 0.00 O ATOM 994 OE2 GLU A 60 33.875 2.994 -3.989 1.00 0.00 O ATOM 0 H GLU A 60 31.019 0.665 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 60 33.143 2.485 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.986 2.266 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.401 0.566 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.791 1.157 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.397 2.859 -6.454 1.00 0.00 H new ATOM 1001 N LYS A 61 34.034 -0.710 -8.728 1.00 0.00 N ATOM 1002 CA LYS A 61 35.143 -1.663 -8.966 1.00 0.00 C ATOM 1003 C LYS A 61 35.427 -1.842 -10.467 1.00 0.00 C ATOM 1004 O LYS A 61 36.592 -1.955 -10.866 1.00 0.00 O ATOM 1005 CB LYS A 61 34.855 -3.039 -8.305 1.00 0.00 C ATOM 1006 CG LYS A 61 33.631 -3.807 -8.864 1.00 0.00 C ATOM 1007 CD LYS A 61 33.373 -5.144 -8.134 1.00 0.00 C ATOM 1008 CE LYS A 61 33.111 -4.968 -6.625 1.00 0.00 C ATOM 1009 NZ LYS A 61 32.837 -6.261 -5.960 1.00 0.00 N ATOM 0 H LYS A 61 33.174 -1.152 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 61 36.033 -1.237 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.738 -3.668 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.707 -2.885 -7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.745 -3.177 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.785 -4.003 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.517 -5.641 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 61 34.233 -5.799 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.976 -4.496 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.264 -4.298 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 32.666 -6.101 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.997 -6.700 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.655 -6.892 -6.077 1.00 0.00 H new ATOM 1023 N GLU A 62 34.352 -1.870 -11.291 1.00 0.00 N ATOM 1024 CA GLU A 62 34.468 -2.090 -12.748 1.00 0.00 C ATOM 1025 C GLU A 62 35.015 -0.826 -13.424 1.00 0.00 C ATOM 1026 O GLU A 62 35.779 -0.929 -14.376 1.00 0.00 O ATOM 1027 CB GLU A 62 33.105 -2.524 -13.376 1.00 0.00 C ATOM 1028 CG GLU A 62 31.978 -1.450 -13.384 1.00 0.00 C ATOM 1029 CD GLU A 62 31.776 -0.760 -14.745 1.00 0.00 C ATOM 1030 OE1 GLU A 62 31.145 -1.361 -15.631 1.00 0.00 O ATOM 1031 OE2 GLU A 62 32.209 0.390 -14.924 1.00 0.00 O ATOM 0 H GLU A 62 33.393 -1.742 -10.967 1.00 0.00 H new ATOM 0 HA GLU A 62 35.168 -2.908 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 62 33.286 -2.838 -14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 62 32.742 -3.398 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.041 -1.920 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 62 32.208 -0.692 -12.635 1.00 0.00 H new ATOM 1038 N ARG A 63 34.627 0.363 -12.899 1.00 0.00 N ATOM 1039 CA ARG A 63 35.069 1.670 -13.441 1.00 0.00 C ATOM 1040 C ARG A 63 36.553 1.894 -13.145 1.00 0.00 C ATOM 1041 O ARG A 63 37.273 2.491 -13.953 1.00 0.00 O ATOM 1042 CB ARG A 63 34.209 2.832 -12.881 1.00 0.00 C ATOM 1043 CG ARG A 63 34.468 4.202 -13.548 1.00 0.00 C ATOM 1044 CD ARG A 63 33.563 5.306 -12.993 1.00 0.00 C ATOM 1045 NE ARG A 63 33.757 5.511 -11.550 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.023 6.321 -10.785 1.00 0.00 C ATOM 1047 NH1 ARG A 63 31.972 6.961 -11.266 1.00 0.00 N ATOM 1048 NH2 ARG A 63 33.326 6.466 -9.521 1.00 0.00 N ATOM 0 H ARG A 63 34.004 0.442 -12.095 1.00 0.00 H new ATOM 0 HA ARG A 63 34.931 1.653 -14.522 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.156 2.578 -13.000 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.396 2.922 -11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.511 4.483 -13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.311 4.114 -14.623 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.765 6.238 -13.521 1.00 0.00 H new ATOM 0 HD3 ARG A 63 32.521 5.050 -13.185 1.00 0.00 H new ATOM 0 HE ARG A 63 34.511 4.994 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.705 6.841 -12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.427 7.575 -10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 63 34.119 5.961 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.769 7.084 -8.931 1.00 0.00 H new ATOM 1062 N ASN A 64 36.991 1.382 -11.990 1.00 0.00 N ATOM 1063 CA ASN A 64 38.402 1.388 -11.602 1.00 0.00 C ATOM 1064 C ASN A 64 39.213 0.461 -12.544 1.00 0.00 C ATOM 1065 O ASN A 64 40.209 0.888 -13.141 1.00 0.00 O ATOM 1066 CB ASN A 64 38.530 0.937 -10.126 1.00 0.00 C ATOM 1067 CG ASN A 64 39.974 0.894 -9.619 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.635 -0.134 -9.703 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.471 2.005 -9.099 1.00 0.00 N ATOM 0 H ASN A 64 36.376 0.952 -11.299 1.00 0.00 H new ATOM 0 HA ASN A 64 38.807 2.396 -11.693 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.953 1.615 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 64 38.087 -0.053 -10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 64 41.431 2.022 -8.754 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.894 2.845 -9.043 1.00 0.00 H new