USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 232 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD Set 1.1: A 3 SER OG : rot -11:sc= 0.988 USER MOD Set 1.2: A 18 THR OG1 : rot -160:sc= -0.0874 USER MOD Set 1.3: A 19 THR OG1 : rot 180:sc= -0.179 USER MOD Set 1.4: A 22 ASN : amide:sc= -0.252 K(o=0.47,f=1.5) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00786 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00695 USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= -2.86! (180deg=-5.46!) USER MOD Single : A 15 SER OG : rot 101:sc= 1.43 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.124 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -50:sc= 0.886 USER MOD Single : A 33 THR OG1 : rot 24:sc= 0.0583 USER MOD Single : A 35 SER OG : rot -56:sc= 0.681 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.823 -11.657 2.335 1.00 0.00 N ATOM 2 CA GLY A 1 -13.754 -12.623 1.217 1.00 0.00 C ATOM 3 C GLY A 1 -12.545 -12.384 0.343 1.00 0.00 C ATOM 4 O GLY A 1 -11.460 -12.100 0.848 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.069 -12.158 3.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.900 -11.192 2.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.549 -10.941 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.720 -13.637 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.659 -12.547 0.614 1.00 0.00 H new ATOM 10 N SER A 2 -12.746 -12.455 -0.966 1.00 0.00 N ATOM 11 CA SER A 2 -11.683 -12.205 -1.931 1.00 0.00 C ATOM 12 C SER A 2 -11.185 -10.768 -1.828 1.00 0.00 C ATOM 13 O SER A 2 -9.981 -10.512 -1.769 1.00 0.00 O ATOM 14 CB SER A 2 -12.203 -12.486 -3.340 1.00 0.00 C ATOM 15 OG SER A 2 -13.385 -11.739 -3.598 1.00 0.00 O ATOM 0 H SER A 2 -13.646 -12.686 -1.388 1.00 0.00 H new ATOM 0 HA SER A 2 -10.845 -12.867 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.438 -12.230 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.408 -13.551 -3.452 1.00 0.00 H new ATOM 0 HG SER A 2 -13.702 -11.931 -4.505 1.00 0.00 H new ATOM 20 N SER A 3 -12.131 -9.839 -1.760 1.00 0.00 N ATOM 21 CA SER A 3 -11.836 -8.425 -1.608 1.00 0.00 C ATOM 22 C SER A 3 -13.090 -7.680 -1.176 1.00 0.00 C ATOM 23 O SER A 3 -14.111 -7.719 -1.865 1.00 0.00 O ATOM 24 CB SER A 3 -11.327 -7.825 -2.926 1.00 0.00 C ATOM 25 OG SER A 3 -10.114 -8.428 -3.343 1.00 0.00 O ATOM 0 H SER A 3 -13.128 -10.049 -1.809 1.00 0.00 H new ATOM 0 HA SER A 3 -11.060 -8.321 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.083 -7.955 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.177 -6.752 -2.803 1.00 0.00 H new ATOM 0 HG SER A 3 -9.753 -8.974 -2.614 1.00 0.00 H new ATOM 30 N GLY A 4 -12.981 -6.952 -0.075 1.00 0.00 N ATOM 31 CA GLY A 4 -14.084 -6.131 0.385 1.00 0.00 C ATOM 32 C GLY A 4 -14.150 -4.813 -0.356 1.00 0.00 C ATOM 33 O GLY A 4 -13.980 -4.770 -1.579 1.00 0.00 O ATOM 0 H GLY A 4 -12.146 -6.914 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.021 -6.672 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.976 -5.943 1.453 1.00 0.00 H new ATOM 37 N LYS A 5 -14.248 -3.731 0.407 1.00 0.00 N ATOM 38 CA LYS A 5 -14.151 -2.382 -0.144 1.00 0.00 C ATOM 39 C LYS A 5 -12.707 -2.086 -0.549 1.00 0.00 C ATOM 40 O LYS A 5 -12.003 -2.964 -1.037 1.00 0.00 O ATOM 41 CB LYS A 5 -14.717 -1.360 0.867 1.00 0.00 C ATOM 42 CG LYS A 5 -14.054 -1.383 2.237 1.00 0.00 C ATOM 43 CD LYS A 5 -14.682 -0.393 3.218 1.00 0.00 C ATOM 44 CE LYS A 5 -16.117 -0.754 3.599 1.00 0.00 C ATOM 45 NZ LYS A 5 -17.077 -0.609 2.471 1.00 0.00 N ATOM 0 H LYS A 5 -14.396 -3.761 1.416 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.755 -2.301 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.615 -0.360 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.784 -1.546 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.121 -2.389 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.994 -1.154 2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.073 -0.350 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.669 0.604 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.143 -1.782 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.438 -0.119 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.004 -0.314 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.725 0.108 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.174 -1.520 1.979 1.00 0.00 H new ATOM 55 N ARG A 6 -12.278 -0.855 -0.406 1.00 0.00 N ATOM 56 CA ARG A 6 -10.929 -0.480 -0.826 1.00 0.00 C ATOM 57 C ARG A 6 -10.465 0.797 -0.126 1.00 0.00 C ATOM 58 O ARG A 6 -10.287 1.843 -0.752 1.00 0.00 O ATOM 59 CB ARG A 6 -10.876 -0.319 -2.345 1.00 0.00 C ATOM 60 CG ARG A 6 -9.474 -0.121 -2.894 1.00 0.00 C ATOM 61 CD ARG A 6 -9.485 -0.120 -4.409 1.00 0.00 C ATOM 62 NE ARG A 6 -8.141 -0.037 -4.976 1.00 0.00 N ATOM 63 CZ ARG A 6 -7.892 -0.055 -6.281 1.00 0.00 C ATOM 64 NH1 ARG A 6 -8.888 -0.171 -7.148 1.00 0.00 N ATOM 65 NH2 ARG A 6 -6.646 0.030 -6.723 1.00 0.00 N ATOM 0 H ARG A 6 -12.829 -0.095 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.247 -1.279 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.316 -1.201 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.492 0.533 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.065 0.821 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.821 -0.915 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.972 -1.027 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.079 0.722 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.351 0.039 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.849 -0.247 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.694 -0.184 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.874 0.110 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.458 0.016 -7.726 1.00 0.00 H new ATOM 76 N PRO A 7 -10.293 0.726 1.200 1.00 0.00 N ATOM 77 CA PRO A 7 -9.871 1.853 2.027 1.00 0.00 C ATOM 78 C PRO A 7 -8.352 2.004 2.091 1.00 0.00 C ATOM 79 O PRO A 7 -7.835 3.059 2.467 1.00 0.00 O ATOM 80 CB PRO A 7 -10.417 1.497 3.419 1.00 0.00 C ATOM 81 CG PRO A 7 -11.015 0.124 3.304 1.00 0.00 C ATOM 82 CD PRO A 7 -10.499 -0.466 2.025 1.00 0.00 C ATOM 0 HA PRO A 7 -10.237 2.799 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.621 1.512 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.166 2.221 3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.733 -0.494 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.104 0.176 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.574 -1.022 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.215 -1.154 1.576 1.00 0.00 H new ATOM 87 N PHE A 8 -7.680 0.866 2.005 1.00 0.00 N ATOM 88 CA PHE A 8 -6.272 0.771 2.349 1.00 0.00 C ATOM 89 C PHE A 8 -5.385 1.341 1.256 1.00 0.00 C ATOM 90 O PHE A 8 -5.543 1.010 0.084 1.00 0.00 O ATOM 91 CB PHE A 8 -5.917 -0.698 2.579 1.00 0.00 C ATOM 92 CG PHE A 8 -6.878 -1.407 3.490 1.00 0.00 C ATOM 93 CD1 PHE A 8 -7.235 -0.864 4.715 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.440 -2.612 3.107 1.00 0.00 C ATOM 95 CE1 PHE A 8 -8.136 -1.513 5.537 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.337 -3.267 3.925 1.00 0.00 C ATOM 97 CZ PHE A 8 -8.688 -2.717 5.143 1.00 0.00 C ATOM 0 H PHE A 8 -8.094 -0.013 1.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.100 1.355 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.891 -1.213 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.914 -0.760 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.805 0.075 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.173 -3.046 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.409 -1.079 6.488 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.764 -4.209 3.614 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.391 -3.226 5.785 1.00 0.00 H new ATOM 106 N VAL A 9 -4.407 2.134 1.656 1.00 0.00 N ATOM 107 CA VAL A 9 -3.437 2.672 0.728 1.00 0.00 C ATOM 108 C VAL A 9 -2.035 2.438 1.282 1.00 0.00 C ATOM 109 O VAL A 9 -1.821 2.506 2.496 1.00 0.00 O ATOM 110 CB VAL A 9 -3.668 4.179 0.492 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.231 5.009 1.689 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.981 4.647 -0.781 1.00 0.00 C ATOM 0 H VAL A 9 -4.266 2.419 2.625 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.548 2.164 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.741 4.328 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.409 6.065 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.801 4.708 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.169 4.850 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.161 5.713 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.909 4.468 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.380 4.097 -1.633 1.00 0.00 H new ATOM 122 N CYS A 10 -1.114 2.064 0.410 1.00 0.00 N ATOM 123 CA CYS A 10 0.232 1.727 0.829 1.00 0.00 C ATOM 124 C CYS A 10 0.923 2.917 1.477 1.00 0.00 C ATOM 125 O CYS A 10 0.876 4.039 0.971 1.00 0.00 O ATOM 126 CB CYS A 10 1.043 1.241 -0.359 1.00 0.00 C ATOM 127 SG CYS A 10 2.767 0.805 0.025 1.00 0.00 S ATOM 0 H CYS A 10 -1.276 1.987 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 10 0.163 0.930 1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.549 0.369 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.041 2.016 -1.125 1.00 0.00 H new ATOM 131 N ARG A 11 1.548 2.652 2.607 1.00 0.00 N ATOM 132 CA ARG A 11 2.243 3.673 3.354 1.00 0.00 C ATOM 133 C ARG A 11 3.495 4.155 2.615 1.00 0.00 C ATOM 134 O ARG A 11 3.880 5.318 2.740 1.00 0.00 O ATOM 135 CB ARG A 11 2.618 3.195 4.769 1.00 0.00 C ATOM 136 CG ARG A 11 3.653 2.068 4.848 1.00 0.00 C ATOM 137 CD ARG A 11 3.108 0.687 4.498 1.00 0.00 C ATOM 138 NE ARG A 11 1.955 0.327 5.320 1.00 0.00 N ATOM 139 CZ ARG A 11 1.319 -0.840 5.251 1.00 0.00 C ATOM 140 NH1 ARG A 11 1.693 -1.765 4.375 1.00 0.00 N ATOM 141 NH2 ARG A 11 0.310 -1.083 6.075 1.00 0.00 N ATOM 0 H ARG A 11 1.587 1.724 3.030 1.00 0.00 H new ATOM 0 HA ARG A 11 1.552 4.511 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.997 4.049 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.709 2.862 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.478 2.301 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.064 2.038 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.823 0.666 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.894 -0.057 4.631 1.00 0.00 H new ATOM 0 HE ARG A 11 1.615 1.016 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.475 -1.585 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.198 -2.656 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.026 -0.378 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.183 -1.975 6.029 1.00 0.00 H new ATOM 152 N ILE A 12 4.190 3.241 1.941 1.00 0.00 N ATOM 153 CA ILE A 12 5.459 3.582 1.305 1.00 0.00 C ATOM 154 C ILE A 12 5.242 4.296 -0.024 1.00 0.00 C ATOM 155 O ILE A 12 5.694 5.431 -0.202 1.00 0.00 O ATOM 156 CB ILE A 12 6.348 2.345 1.082 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.574 1.598 2.402 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.683 2.765 0.473 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.224 2.445 3.476 1.00 0.00 C ATOM 0 H ILE A 12 3.900 2.270 1.822 1.00 0.00 H new ATOM 0 HA ILE A 12 5.972 4.254 1.992 1.00 0.00 H new ATOM 0 HB ILE A 12 5.842 1.671 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.616 1.232 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.198 0.725 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.306 1.884 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.508 3.258 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.190 3.454 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.352 1.850 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.197 2.790 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.591 3.305 3.694 1.00 0.00 H new ATOM 170 N CYS A 13 4.434 3.706 -0.899 1.00 0.00 N ATOM 171 CA CYS A 13 4.046 4.396 -2.115 1.00 0.00 C ATOM 172 C CYS A 13 2.688 5.065 -1.903 1.00 0.00 C ATOM 173 O CYS A 13 2.504 5.775 -0.915 1.00 0.00 O ATOM 174 CB CYS A 13 4.087 3.475 -3.361 1.00 0.00 C ATOM 175 SG CYS A 13 2.941 2.048 -3.403 1.00 0.00 S ATOM 0 H CYS A 13 4.044 2.770 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 13 4.778 5.175 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.889 4.090 -4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.103 3.092 -3.462 1.00 0.00 H new ATOM 179 N LEU A 14 1.731 4.754 -2.758 1.00 0.00 N ATOM 180 CA LEU A 14 0.358 5.231 -2.607 1.00 0.00 C ATOM 181 C LEU A 14 -0.587 4.354 -3.403 1.00 0.00 C ATOM 182 O LEU A 14 -1.589 4.825 -3.942 1.00 0.00 O ATOM 183 CB LEU A 14 0.198 6.692 -3.060 1.00 0.00 C ATOM 184 CG LEU A 14 0.755 7.754 -2.110 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.612 9.140 -2.715 1.00 0.00 C ATOM 186 CD2 LEU A 14 0.030 7.692 -0.772 1.00 0.00 C ATOM 0 H LEU A 14 1.878 4.165 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 14 0.115 5.180 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.686 6.807 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.863 6.890 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 14 1.814 7.553 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.014 9.882 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.161 9.185 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.442 9.349 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.434 8.452 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.034 7.873 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.170 6.707 -0.328 1.00 0.00 H new ATOM 197 N SER A 15 -0.302 3.066 -3.414 1.00 0.00 N ATOM 198 CA SER A 15 -1.170 2.112 -4.070 1.00 0.00 C ATOM 199 C SER A 15 -2.328 1.739 -3.149 1.00 0.00 C ATOM 200 O SER A 15 -2.112 1.233 -2.050 1.00 0.00 O ATOM 201 CB SER A 15 -0.364 0.872 -4.446 1.00 0.00 C ATOM 202 OG SER A 15 0.747 1.221 -5.258 1.00 0.00 O ATOM 0 H SER A 15 0.524 2.658 -2.976 1.00 0.00 H new ATOM 0 HA SER A 15 -1.583 2.556 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.017 0.370 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.001 0.166 -4.978 1.00 0.00 H new ATOM 0 HG SER A 15 1.560 1.238 -4.711 1.00 0.00 H new ATOM 207 N ALA A 16 -3.552 1.942 -3.610 1.00 0.00 N ATOM 208 CA ALA A 16 -4.716 1.559 -2.827 1.00 0.00 C ATOM 209 C ALA A 16 -5.068 0.102 -3.087 1.00 0.00 C ATOM 210 O ALA A 16 -5.206 -0.306 -4.238 1.00 0.00 O ATOM 211 CB ALA A 16 -5.905 2.456 -3.138 1.00 0.00 C ATOM 0 H ALA A 16 -3.764 2.366 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.471 1.680 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.761 2.147 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.652 3.490 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.155 2.375 -4.196 1.00 0.00 H new ATOM 217 N PHE A 17 -5.267 -0.668 -2.029 1.00 0.00 N ATOM 218 CA PHE A 17 -5.662 -2.065 -2.169 1.00 0.00 C ATOM 219 C PHE A 17 -6.991 -2.324 -1.488 1.00 0.00 C ATOM 220 O PHE A 17 -7.289 -1.751 -0.439 1.00 0.00 O ATOM 221 CB PHE A 17 -4.607 -3.035 -1.616 1.00 0.00 C ATOM 222 CG PHE A 17 -3.280 -2.974 -2.317 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.458 -1.872 -2.184 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.847 -4.036 -3.094 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.233 -1.826 -2.819 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.622 -3.996 -3.728 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.815 -2.888 -3.591 1.00 0.00 C ATOM 0 H PHE A 17 -5.162 -0.352 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.757 -2.249 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.455 -2.823 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.994 -4.052 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.777 -1.038 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.476 -4.907 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.602 -0.957 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.297 -4.831 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.143 -2.852 -4.088 1.00 0.00 H new ATOM 236 N THR A 18 -7.780 -3.193 -2.102 1.00 0.00 N ATOM 237 CA THR A 18 -9.087 -3.568 -1.586 1.00 0.00 C ATOM 238 C THR A 18 -8.986 -4.180 -0.189 1.00 0.00 C ATOM 239 O THR A 18 -9.892 -4.039 0.635 1.00 0.00 O ATOM 240 CB THR A 18 -9.772 -4.568 -2.532 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.910 -5.693 -2.759 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.112 -3.913 -3.862 1.00 0.00 C ATOM 0 H THR A 18 -7.531 -3.659 -2.974 1.00 0.00 H new ATOM 0 HA THR A 18 -9.683 -2.658 -1.522 1.00 0.00 H new ATOM 0 HB THR A 18 -10.697 -4.902 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.186 -6.157 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.596 -4.641 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.786 -3.074 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.198 -3.554 -4.335 1.00 0.00 H new ATOM 250 N THR A 19 -7.922 -4.937 0.039 1.00 0.00 N ATOM 251 CA THR A 19 -7.750 -5.661 1.284 1.00 0.00 C ATOM 252 C THR A 19 -6.314 -5.581 1.767 1.00 0.00 C ATOM 253 O THR A 19 -5.374 -5.557 0.967 1.00 0.00 O ATOM 254 CB THR A 19 -8.129 -7.151 1.143 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.302 -7.778 0.155 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.586 -7.318 0.756 1.00 0.00 C ATOM 0 H THR A 19 -7.162 -5.064 -0.629 1.00 0.00 H new ATOM 0 HA THR A 19 -8.416 -5.188 2.006 1.00 0.00 H new ATOM 0 HB THR A 19 -7.972 -7.625 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.549 -8.723 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.819 -8.379 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.220 -6.872 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.768 -6.824 -0.198 1.00 0.00 H new ATOM 264 N LYS A 20 -6.164 -5.675 3.080 1.00 0.00 N ATOM 265 CA LYS A 20 -4.860 -5.767 3.717 1.00 0.00 C ATOM 266 C LYS A 20 -4.099 -6.942 3.164 1.00 0.00 C ATOM 267 O LYS A 20 -2.875 -6.916 3.065 1.00 0.00 O ATOM 268 CB LYS A 20 -5.034 -5.930 5.218 1.00 0.00 C ATOM 269 CG LYS A 20 -5.620 -4.705 5.852 1.00 0.00 C ATOM 270 CD LYS A 20 -5.891 -4.895 7.330 1.00 0.00 C ATOM 271 CE LYS A 20 -6.520 -3.649 7.927 1.00 0.00 C ATOM 272 NZ LYS A 20 -6.866 -3.828 9.358 1.00 0.00 N ATOM 0 H LYS A 20 -6.946 -5.690 3.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.300 -4.854 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.680 -6.785 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.068 -6.147 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.938 -3.866 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.549 -4.446 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.554 -5.748 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.960 -5.122 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.831 -2.811 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.419 -3.394 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.292 -2.953 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.544 -4.611 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.005 -4.046 9.899 1.00 0.00 H new ATOM 282 N ALA A 21 -4.842 -7.981 2.837 1.00 0.00 N ATOM 283 CA ALA A 21 -4.258 -9.191 2.327 1.00 0.00 C ATOM 284 C ALA A 21 -3.432 -8.911 1.070 1.00 0.00 C ATOM 285 O ALA A 21 -2.296 -9.379 0.945 1.00 0.00 O ATOM 286 CB ALA A 21 -5.343 -10.218 2.043 1.00 0.00 C ATOM 0 H ALA A 21 -5.858 -8.004 2.919 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.586 -9.596 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.888 -11.130 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.882 -10.442 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.038 -9.818 1.304 1.00 0.00 H new ATOM 292 N ASN A 22 -3.970 -8.072 0.186 1.00 0.00 N ATOM 293 CA ASN A 22 -3.232 -7.653 -1.006 1.00 0.00 C ATOM 294 C ASN A 22 -2.046 -6.771 -0.623 1.00 0.00 C ATOM 295 O ASN A 22 -0.968 -6.878 -1.200 1.00 0.00 O ATOM 296 CB ASN A 22 -4.121 -6.897 -2.000 1.00 0.00 C ATOM 297 CG ASN A 22 -5.257 -7.728 -2.567 1.00 0.00 C ATOM 298 OD1 ASN A 22 -5.048 -8.806 -3.121 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.464 -7.203 -2.477 1.00 0.00 N ATOM 0 H ASN A 22 -4.905 -7.672 0.270 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.875 -8.563 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.538 -6.020 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.503 -6.535 -2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.265 -7.694 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.597 -6.306 -2.009 1.00 0.00 H new ATOM 305 N CYS A 23 -2.266 -5.868 0.324 1.00 0.00 N ATOM 306 CA CYS A 23 -1.235 -4.930 0.753 1.00 0.00 C ATOM 307 C CYS A 23 -0.029 -5.672 1.343 1.00 0.00 C ATOM 308 O CYS A 23 1.120 -5.287 1.113 1.00 0.00 O ATOM 309 CB CYS A 23 -1.810 -3.944 1.778 1.00 0.00 C ATOM 310 SG CYS A 23 -0.648 -2.673 2.328 1.00 0.00 S ATOM 0 H CYS A 23 -3.155 -5.765 0.813 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.895 -4.373 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.683 -3.457 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.156 -4.503 2.647 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.233 -1.893 3.188 1.00 0.00 H new ATOM 315 N ALA A 24 -0.298 -6.711 2.127 1.00 0.00 N ATOM 316 CA ALA A 24 0.755 -7.478 2.782 1.00 0.00 C ATOM 317 C ALA A 24 1.719 -8.101 1.772 1.00 0.00 C ATOM 318 O ALA A 24 2.937 -8.000 1.927 1.00 0.00 O ATOM 319 CB ALA A 24 0.146 -8.553 3.665 1.00 0.00 C ATOM 0 H ALA A 24 -1.242 -7.042 2.325 1.00 0.00 H new ATOM 0 HA ALA A 24 1.331 -6.789 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.941 -9.120 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.482 -8.087 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.459 -9.225 3.056 1.00 0.00 H new ATOM 325 N ARG A 25 1.175 -8.720 0.726 1.00 0.00 N ATOM 326 CA ARG A 25 2.007 -9.325 -0.315 1.00 0.00 C ATOM 327 C ARG A 25 2.775 -8.236 -1.065 1.00 0.00 C ATOM 328 O ARG A 25 3.900 -8.442 -1.517 1.00 0.00 O ATOM 329 CB ARG A 25 1.169 -10.166 -1.294 1.00 0.00 C ATOM 330 CG ARG A 25 0.219 -9.356 -2.162 1.00 0.00 C ATOM 331 CD ARG A 25 -0.601 -10.237 -3.088 1.00 0.00 C ATOM 332 NE ARG A 25 -1.425 -9.441 -3.996 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.272 -9.952 -4.887 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.498 -11.258 -4.932 1.00 0.00 N ATOM 335 NH2 ARG A 25 -2.906 -9.147 -5.726 1.00 0.00 N ATOM 0 H ARG A 25 0.171 -8.816 0.576 1.00 0.00 H new ATOM 0 HA ARG A 25 2.716 -9.997 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.843 -10.728 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.591 -10.895 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.451 -8.779 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.790 -8.641 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.065 -10.877 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.240 -10.893 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.346 -8.425 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.021 -11.881 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.149 -11.640 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.744 -8.141 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.556 -9.533 -6.411 1.00 0.00 H new ATOM 346 N HIS A 26 2.148 -7.073 -1.181 1.00 0.00 N ATOM 347 CA HIS A 26 2.736 -5.923 -1.854 1.00 0.00 C ATOM 348 C HIS A 26 3.975 -5.400 -1.121 1.00 0.00 C ATOM 349 O HIS A 26 4.907 -4.922 -1.754 1.00 0.00 O ATOM 350 CB HIS A 26 1.693 -4.802 -1.942 1.00 0.00 C ATOM 351 CG HIS A 26 2.242 -3.492 -2.410 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.638 -3.223 -3.700 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.526 -2.386 -1.690 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.141 -1.974 -3.715 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.089 -1.432 -2.510 1.00 0.00 N ATOM 0 H HIS A 26 1.214 -6.900 -0.810 1.00 0.00 H new ATOM 0 HA HIS A 26 3.046 -6.242 -2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.897 -5.113 -2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.240 -4.664 -0.960 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.564 -3.854 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.340 -2.267 -0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.534 -1.482 -4.592 1.00 0.00 H new ATOM 362 N LEU A 27 3.860 -5.273 0.195 1.00 0.00 N ATOM 363 CA LEU A 27 4.841 -4.538 0.998 1.00 0.00 C ATOM 364 C LEU A 27 6.291 -4.941 0.697 1.00 0.00 C ATOM 365 O LEU A 27 7.187 -4.095 0.724 1.00 0.00 O ATOM 366 CB LEU A 27 4.542 -4.713 2.486 1.00 0.00 C ATOM 367 CG LEU A 27 5.411 -3.870 3.422 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.251 -2.391 3.098 1.00 0.00 C ATOM 369 CD2 LEU A 27 5.051 -4.140 4.876 1.00 0.00 C ATOM 0 H LEU A 27 3.093 -5.671 0.736 1.00 0.00 H new ATOM 0 HA LEU A 27 4.746 -3.488 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.496 -4.464 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.668 -5.764 2.746 1.00 0.00 H new ATOM 0 HG LEU A 27 6.454 -4.149 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.874 -1.802 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.557 -2.209 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.208 -2.102 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.680 -3.531 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.004 -3.888 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.211 -5.195 5.101 1.00 0.00 H new ATOM 380 N LYS A 28 6.516 -6.226 0.453 1.00 0.00 N ATOM 381 CA LYS A 28 7.858 -6.751 0.196 1.00 0.00 C ATOM 382 C LYS A 28 8.572 -6.009 -0.933 1.00 0.00 C ATOM 383 O LYS A 28 9.793 -5.936 -0.935 1.00 0.00 O ATOM 384 CB LYS A 28 7.804 -8.246 -0.125 1.00 0.00 C ATOM 385 CG LYS A 28 6.977 -8.584 -1.353 1.00 0.00 C ATOM 386 CD LYS A 28 7.020 -10.072 -1.659 1.00 0.00 C ATOM 387 CE LYS A 28 8.438 -10.535 -1.953 1.00 0.00 C ATOM 388 NZ LYS A 28 8.498 -11.982 -2.290 1.00 0.00 N ATOM 0 H LYS A 28 5.781 -6.933 0.427 1.00 0.00 H new ATOM 0 HA LYS A 28 8.431 -6.594 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.820 -8.613 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.394 -8.777 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.944 -8.273 -1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.350 -8.024 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.621 -10.631 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.380 -10.288 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.844 -9.954 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.069 -10.339 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.483 -12.253 -2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.136 -12.540 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.917 -12.167 -3.133 1.00 0.00 H new ATOM 398 N VAL A 29 7.826 -5.513 -1.918 1.00 0.00 N ATOM 399 CA VAL A 29 8.434 -4.842 -3.065 1.00 0.00 C ATOM 400 C VAL A 29 9.347 -3.701 -2.624 1.00 0.00 C ATOM 401 O VAL A 29 10.396 -3.470 -3.220 1.00 0.00 O ATOM 402 CB VAL A 29 7.386 -4.300 -4.061 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.506 -5.425 -4.566 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.546 -3.187 -3.453 1.00 0.00 C ATOM 0 H VAL A 29 6.808 -5.562 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 29 9.025 -5.603 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 29 7.925 -3.870 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.773 -5.027 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.122 -6.170 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.990 -5.889 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.822 -2.835 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.019 -3.566 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.194 -2.362 -3.158 1.00 0.00 H new ATOM 414 N HIS A 30 8.945 -2.989 -1.579 1.00 0.00 N ATOM 415 CA HIS A 30 9.731 -1.872 -1.070 1.00 0.00 C ATOM 416 C HIS A 30 10.891 -2.352 -0.195 1.00 0.00 C ATOM 417 O HIS A 30 11.402 -1.593 0.632 1.00 0.00 O ATOM 418 CB HIS A 30 8.840 -0.927 -0.263 1.00 0.00 C ATOM 419 CG HIS A 30 7.685 -0.349 -1.031 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.809 0.451 -2.149 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.354 -0.434 -0.782 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.572 0.828 -2.522 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.659 0.315 -1.719 1.00 0.00 N ATOM 0 H HIS A 30 8.080 -3.165 -1.068 1.00 0.00 H new ATOM 0 HA HIS A 30 10.147 -1.344 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.452 -1.465 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.451 -0.109 0.118 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.681 0.710 -2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.905 -0.998 0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.355 1.466 -3.366 1.00 0.00 H new ATOM 430 N THR A 31 11.340 -3.584 -0.421 1.00 0.00 N ATOM 431 CA THR A 31 12.478 -4.137 0.300 1.00 0.00 C ATOM 432 C THR A 31 12.774 -5.569 -0.163 1.00 0.00 C ATOM 433 O THR A 31 13.212 -6.418 0.616 1.00 0.00 O ATOM 434 CB THR A 31 12.236 -4.112 1.832 1.00 0.00 C ATOM 435 OG1 THR A 31 13.389 -4.601 2.529 1.00 0.00 O ATOM 436 CG2 THR A 31 11.015 -4.940 2.217 1.00 0.00 C ATOM 0 H THR A 31 10.928 -4.220 -1.103 1.00 0.00 H new ATOM 0 HA THR A 31 13.343 -3.512 0.078 1.00 0.00 H new ATOM 0 HB THR A 31 12.052 -3.076 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.670 -5.454 2.138 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.875 -4.901 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.132 -4.538 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.165 -5.975 1.908 1.00 0.00 H new ATOM 444 N ASP A 32 12.563 -5.820 -1.448 1.00 0.00 N ATOM 445 CA ASP A 32 12.824 -7.131 -2.035 1.00 0.00 C ATOM 446 C ASP A 32 12.745 -7.014 -3.554 1.00 0.00 C ATOM 447 O ASP A 32 12.086 -6.113 -4.074 1.00 0.00 O ATOM 448 CB ASP A 32 11.823 -8.179 -1.530 1.00 0.00 C ATOM 449 CG ASP A 32 12.219 -9.600 -1.891 1.00 0.00 C ATOM 450 OD1 ASP A 32 13.327 -9.806 -2.425 1.00 0.00 O ATOM 451 OD2 ASP A 32 11.438 -10.528 -1.601 1.00 0.00 O ATOM 0 H ASP A 32 12.209 -5.129 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 32 13.819 -7.460 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.734 -8.096 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.839 -7.965 -1.948 1.00 0.00 H new ATOM 455 N THR A 33 13.507 -7.840 -4.248 1.00 0.00 N ATOM 456 CA THR A 33 13.622 -7.749 -5.687 1.00 0.00 C ATOM 457 C THR A 33 12.414 -8.336 -6.389 1.00 0.00 C ATOM 458 O THR A 33 11.942 -9.417 -6.041 1.00 0.00 O ATOM 459 CB THR A 33 14.889 -8.472 -6.182 1.00 0.00 C ATOM 460 OG1 THR A 33 14.900 -9.824 -5.705 1.00 0.00 O ATOM 461 CG2 THR A 33 16.143 -7.755 -5.714 1.00 0.00 C ATOM 0 H THR A 33 14.060 -8.588 -3.830 1.00 0.00 H new ATOM 0 HA THR A 33 13.684 -6.688 -5.930 1.00 0.00 H new ATOM 0 HB THR A 33 14.876 -8.470 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.983 -10.109 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.023 -8.286 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.147 -6.737 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 33 16.161 -7.726 -4.625 1.00 0.00 H new ATOM 469 N LEU A 34 11.937 -7.623 -7.396 1.00 0.00 N ATOM 470 CA LEU A 34 10.799 -8.068 -8.181 1.00 0.00 C ATOM 471 C LEU A 34 11.217 -9.113 -9.218 1.00 0.00 C ATOM 472 O LEU A 34 10.801 -9.056 -10.378 1.00 0.00 O ATOM 473 CB LEU A 34 10.141 -6.873 -8.871 1.00 0.00 C ATOM 474 CG LEU A 34 9.599 -5.806 -7.922 1.00 0.00 C ATOM 475 CD1 LEU A 34 9.000 -4.644 -8.702 1.00 0.00 C ATOM 476 CD2 LEU A 34 8.565 -6.415 -6.992 1.00 0.00 C ATOM 0 H LEU A 34 12.324 -6.727 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 34 10.081 -8.533 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.868 -6.411 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.323 -7.236 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 34 10.425 -5.420 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.620 -3.896 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.767 -4.196 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.183 -5.007 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.184 -5.647 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.743 -6.823 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.025 -7.213 -6.409 1.00 0.00 H new ATOM 487 N SER A 35 12.048 -10.053 -8.798 1.00 0.00 N ATOM 488 CA SER A 35 12.543 -11.094 -9.678 1.00 0.00 C ATOM 489 C SER A 35 13.084 -12.252 -8.844 1.00 0.00 C ATOM 490 O SER A 35 12.394 -12.652 -7.881 1.00 0.00 O ATOM 491 CB SER A 35 13.628 -10.525 -10.603 1.00 0.00 C ATOM 492 OG SER A 35 14.102 -11.510 -11.504 1.00 0.00 O ATOM 493 OXT SER A 35 14.196 -12.740 -9.138 1.00 0.00 O ATOM 0 H SER A 35 12.396 -10.114 -7.841 1.00 0.00 H new ATOM 0 HA SER A 35 11.729 -11.467 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.226 -9.680 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.457 -10.146 -10.005 1.00 0.00 H new ATOM 0 HG SER A 35 14.424 -12.286 -11.000 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.709 0.357 -1.973 1.00 0.00 ZN