USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 129:sc= 0.0832 (180deg=-0.379) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 1:sc= 1.08 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0224) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -17:sc= 1.03 USER MOD Single : A 24 ASN : amide:sc= -2.97! C(o=-3!,f=-18!) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -0.171 (180deg=-0.728) USER MOD Single : A 31 GLN : amide:sc= -0.324 K(o=-0.32,f=-3.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0041 USER MOD Single : A 35 TYR OH : rot 180:sc= -2.05! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -7.26! C(o=-7.3!,f=-18!) USER MOD Single : A 44 ASN : amide:sc= -9.36! C(o=-9.4!,f=-21!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -1.48! USER MOD Single : A 52 MET CE :methyl -164:sc=-0.00214 (180deg=-0.236) USER MOD Single : A 54 THR OG1 : rot 97:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.392 -4.521 4.563 1.00 0.00 N ATOM 2 CA ARG A 1 12.992 -4.009 4.603 1.00 0.00 C ATOM 3 C ARG A 1 12.004 -5.181 4.645 1.00 0.00 C ATOM 4 O ARG A 1 12.371 -6.308 4.381 1.00 0.00 O ATOM 5 CB ARG A 1 12.832 -3.205 3.310 1.00 0.00 C ATOM 6 CG ARG A 1 12.801 -4.157 2.112 1.00 0.00 C ATOM 7 CD ARG A 1 12.381 -3.386 0.858 1.00 0.00 C ATOM 8 NE ARG A 1 13.657 -2.924 0.245 1.00 0.00 N ATOM 9 CZ ARG A 1 14.555 -3.794 -0.128 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.205 -5.027 -0.376 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.802 -3.432 -0.252 1.00 0.00 N ATOM 0 H1 ARG A 1 14.905 -4.068 3.780 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.868 -4.302 5.462 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.381 -5.551 4.419 1.00 0.00 H new ATOM 0 HA ARG A 1 12.793 -3.400 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.913 -2.620 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.656 -2.499 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.784 -4.605 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.104 -4.973 2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.821 -4.022 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.736 -2.544 1.110 1.00 0.00 H new ATOM 0 HE ARG A 1 13.829 -1.927 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.230 -5.310 -0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.907 -5.707 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.075 -2.469 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.504 -4.112 -0.544 1.00 0.00 H new ATOM 27 N PRO A 2 10.775 -4.875 4.977 1.00 0.00 N ATOM 28 CA PRO A 2 9.719 -5.919 5.054 1.00 0.00 C ATOM 29 C PRO A 2 9.426 -6.506 3.679 1.00 0.00 C ATOM 30 O PRO A 2 9.816 -5.971 2.661 1.00 0.00 O ATOM 31 CB PRO A 2 8.506 -5.167 5.587 1.00 0.00 C ATOM 32 CG PRO A 2 8.757 -3.740 5.224 1.00 0.00 C ATOM 33 CD PRO A 2 10.246 -3.545 5.303 1.00 0.00 C ATOM 0 HA PRO A 2 10.008 -6.761 5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.583 -5.534 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.406 -5.290 6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.388 -3.522 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.239 -3.067 5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.591 -2.790 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.558 -3.220 6.296 1.00 0.00 H new ATOM 41 N ASP A 3 8.737 -7.610 3.646 1.00 0.00 N ATOM 42 CA ASP A 3 8.412 -8.243 2.344 1.00 0.00 C ATOM 43 C ASP A 3 6.983 -7.888 1.929 1.00 0.00 C ATOM 44 O ASP A 3 6.623 -8.009 0.774 1.00 0.00 O ATOM 45 CB ASP A 3 8.540 -9.748 2.589 1.00 0.00 C ATOM 46 CG ASP A 3 8.746 -10.468 1.256 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.884 -10.568 0.829 1.00 0.00 O ATOM 48 OD2 ASP A 3 7.762 -10.906 0.683 1.00 0.00 O ATOM 0 H ASP A 3 8.385 -8.101 4.468 1.00 0.00 H new ATOM 0 HA ASP A 3 9.071 -7.904 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.379 -9.948 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.644 -10.124 3.082 1.00 0.00 H new ATOM 53 N PHE A 4 6.158 -7.451 2.849 1.00 0.00 N ATOM 54 CA PHE A 4 4.758 -7.106 2.448 1.00 0.00 C ATOM 55 C PHE A 4 4.766 -5.901 1.509 1.00 0.00 C ATOM 56 O PHE A 4 3.842 -5.690 0.747 1.00 0.00 O ATOM 57 CB PHE A 4 3.975 -6.816 3.738 1.00 0.00 C ATOM 58 CG PHE A 4 4.584 -5.672 4.520 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.409 -4.342 4.102 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.301 -5.944 5.692 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.954 -3.299 4.856 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.846 -4.896 6.439 1.00 0.00 C ATOM 63 CZ PHE A 4 5.671 -3.574 6.020 1.00 0.00 C ATOM 0 H PHE A 4 6.384 -7.321 3.835 1.00 0.00 H new ATOM 0 HA PHE A 4 4.285 -7.926 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.941 -6.577 3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.954 -7.711 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.855 -4.126 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.433 -6.965 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.819 -2.276 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.402 -5.108 7.340 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.092 -2.765 6.598 1.00 0.00 H new ATOM 73 N CYS A 5 5.813 -5.127 1.535 1.00 0.00 N ATOM 74 CA CYS A 5 5.893 -3.954 0.622 1.00 0.00 C ATOM 75 C CYS A 5 6.445 -4.406 -0.729 1.00 0.00 C ATOM 76 O CYS A 5 6.236 -3.774 -1.744 1.00 0.00 O ATOM 77 CB CYS A 5 6.852 -2.985 1.302 1.00 0.00 C ATOM 78 SG CYS A 5 5.903 -1.834 2.321 1.00 0.00 S ATOM 0 H CYS A 5 6.617 -5.256 2.149 1.00 0.00 H new ATOM 0 HA CYS A 5 4.923 -3.491 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.566 -3.532 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.428 -2.439 0.555 1.00 0.00 H new ATOM 83 N LEU A 6 7.138 -5.511 -0.748 1.00 0.00 N ATOM 84 CA LEU A 6 7.694 -6.019 -2.031 1.00 0.00 C ATOM 85 C LEU A 6 6.555 -6.604 -2.864 1.00 0.00 C ATOM 86 O LEU A 6 6.619 -6.670 -4.075 1.00 0.00 O ATOM 87 CB LEU A 6 8.688 -7.113 -1.636 1.00 0.00 C ATOM 88 CG LEU A 6 9.658 -6.572 -0.584 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.660 -7.664 -0.209 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.409 -5.366 -1.153 1.00 0.00 C ATOM 0 H LEU A 6 7.343 -6.084 0.071 1.00 0.00 H new ATOM 0 HA LEU A 6 8.177 -5.241 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.154 -7.978 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.239 -7.451 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 6 9.101 -6.267 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.352 -7.281 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.126 -8.524 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.217 -7.967 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.100 -4.981 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.967 -5.670 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.696 -4.587 -1.423 1.00 0.00 H new ATOM 102 N GLU A 7 5.503 -7.014 -2.212 1.00 0.00 N ATOM 103 CA GLU A 7 4.340 -7.583 -2.944 1.00 0.00 C ATOM 104 C GLU A 7 3.495 -6.446 -3.521 1.00 0.00 C ATOM 105 O GLU A 7 3.632 -5.308 -3.120 1.00 0.00 O ATOM 106 CB GLU A 7 3.551 -8.350 -1.882 1.00 0.00 C ATOM 107 CG GLU A 7 3.289 -9.776 -2.365 1.00 0.00 C ATOM 108 CD GLU A 7 1.823 -10.133 -2.117 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.432 -10.178 -0.962 1.00 0.00 O ATOM 110 OE2 GLU A 7 1.115 -10.356 -3.086 1.00 0.00 O ATOM 0 H GLU A 7 5.399 -6.979 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 7 4.634 -8.224 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.108 -8.370 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.606 -7.844 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.521 -9.861 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.939 -10.475 -1.840 1.00 0.00 H new ATOM 117 N PRO A 8 2.643 -6.790 -4.444 1.00 0.00 N ATOM 118 CA PRO A 8 1.766 -5.775 -5.073 1.00 0.00 C ATOM 119 C PRO A 8 0.661 -5.364 -4.099 1.00 0.00 C ATOM 120 O PRO A 8 0.454 -6.009 -3.090 1.00 0.00 O ATOM 121 CB PRO A 8 1.190 -6.503 -6.284 1.00 0.00 C ATOM 122 CG PRO A 8 1.259 -7.956 -5.936 1.00 0.00 C ATOM 123 CD PRO A 8 2.415 -8.134 -4.983 1.00 0.00 C ATOM 0 HA PRO A 8 2.287 -4.858 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.163 -6.193 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.765 -6.286 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.327 -8.286 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.403 -8.559 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.174 -8.845 -4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.299 -8.514 -5.495 1.00 0.00 H new ATOM 131 N PRO A 9 -0.017 -4.301 -4.432 1.00 0.00 N ATOM 132 CA PRO A 9 -1.116 -3.802 -3.571 1.00 0.00 C ATOM 133 C PRO A 9 -2.306 -4.762 -3.627 1.00 0.00 C ATOM 134 O PRO A 9 -2.327 -5.695 -4.405 1.00 0.00 O ATOM 135 CB PRO A 9 -1.464 -2.446 -4.180 1.00 0.00 C ATOM 136 CG PRO A 9 -1.015 -2.538 -5.603 1.00 0.00 C ATOM 137 CD PRO A 9 0.168 -3.473 -5.628 1.00 0.00 C ATOM 0 HA PRO A 9 -0.842 -3.724 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.534 -2.246 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.956 -1.636 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.818 -2.913 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.739 -1.555 -5.985 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.181 -4.077 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.111 -2.927 -5.595 1.00 0.00 H new ATOM 145 N TYR A 10 -3.296 -4.547 -2.807 1.00 0.00 N ATOM 146 CA TYR A 10 -4.481 -5.453 -2.814 1.00 0.00 C ATOM 147 C TYR A 10 -5.763 -4.652 -2.628 1.00 0.00 C ATOM 148 O TYR A 10 -6.194 -4.397 -1.521 1.00 0.00 O ATOM 149 CB TYR A 10 -4.260 -6.398 -1.631 1.00 0.00 C ATOM 150 CG TYR A 10 -5.273 -7.512 -1.683 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.305 -8.377 -2.783 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.184 -7.678 -0.634 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.248 -9.410 -2.834 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.129 -8.710 -0.686 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.161 -9.576 -1.785 1.00 0.00 C ATOM 156 OH TYR A 10 -8.091 -10.593 -1.837 1.00 0.00 O ATOM 0 H TYR A 10 -3.337 -3.784 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.583 -5.993 -3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.251 -6.808 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.353 -5.851 -0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.602 -8.247 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.158 -7.011 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.272 -10.079 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.834 -8.838 0.122 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.647 -10.569 -1.030 1.00 0.00 H new ATOM 166 N THR A 11 -6.389 -4.277 -3.707 1.00 0.00 N ATOM 167 CA THR A 11 -7.657 -3.518 -3.592 1.00 0.00 C ATOM 168 C THR A 11 -8.599 -4.299 -2.678 1.00 0.00 C ATOM 169 O THR A 11 -9.505 -3.753 -2.080 1.00 0.00 O ATOM 170 CB THR A 11 -8.206 -3.439 -5.022 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.598 -2.343 -5.696 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.725 -3.241 -4.986 1.00 0.00 C ATOM 0 H THR A 11 -6.076 -4.464 -4.660 1.00 0.00 H new ATOM 0 HA THR A 11 -7.535 -2.521 -3.170 1.00 0.00 H new ATOM 0 HB THR A 11 -7.981 -4.366 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.955 -1.908 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.109 -3.186 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.189 -4.080 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.959 -2.316 -4.459 1.00 0.00 H new ATOM 180 N GLY A 12 -8.379 -5.581 -2.567 1.00 0.00 N ATOM 181 CA GLY A 12 -9.249 -6.417 -1.691 1.00 0.00 C ATOM 182 C GLY A 12 -10.672 -6.450 -2.253 1.00 0.00 C ATOM 183 O GLY A 12 -10.917 -6.001 -3.355 1.00 0.00 O ATOM 0 H GLY A 12 -7.633 -6.086 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.850 -7.429 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.257 -6.013 -0.679 1.00 0.00 H new ATOM 187 N PRO A 13 -11.565 -6.985 -1.466 1.00 0.00 N ATOM 188 CA PRO A 13 -12.988 -7.085 -1.879 1.00 0.00 C ATOM 189 C PRO A 13 -13.648 -5.703 -1.843 1.00 0.00 C ATOM 190 O PRO A 13 -12.987 -4.689 -1.951 1.00 0.00 O ATOM 191 CB PRO A 13 -13.597 -8.016 -0.831 1.00 0.00 C ATOM 192 CG PRO A 13 -12.718 -7.876 0.371 1.00 0.00 C ATOM 193 CD PRO A 13 -11.337 -7.543 -0.129 1.00 0.00 C ATOM 0 HA PRO A 13 -13.121 -7.456 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.625 -7.734 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.620 -9.047 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.089 -7.091 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.706 -8.800 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.839 -6.825 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.703 -8.429 -0.170 1.00 0.00 H new ATOM 201 N CYS A 14 -14.944 -5.654 -1.696 1.00 0.00 N ATOM 202 CA CYS A 14 -15.643 -4.338 -1.655 1.00 0.00 C ATOM 203 C CYS A 14 -15.451 -3.595 -2.979 1.00 0.00 C ATOM 204 O CYS A 14 -14.991 -4.154 -3.955 1.00 0.00 O ATOM 205 CB CYS A 14 -14.987 -3.573 -0.503 1.00 0.00 C ATOM 206 SG CYS A 14 -14.914 -4.637 0.958 1.00 0.00 S ATOM 0 H CYS A 14 -15.550 -6.469 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.718 -4.446 -1.508 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.983 -3.256 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.555 -2.670 -0.281 1.00 0.00 H new ATOM 211 N LYS A 15 -15.807 -2.341 -3.023 1.00 0.00 N ATOM 212 CA LYS A 15 -15.652 -1.566 -4.289 1.00 0.00 C ATOM 213 C LYS A 15 -15.217 -0.133 -3.975 1.00 0.00 C ATOM 214 O LYS A 15 -15.383 0.767 -4.775 1.00 0.00 O ATOM 215 CB LYS A 15 -17.035 -1.569 -4.965 1.00 0.00 C ATOM 216 CG LYS A 15 -18.149 -1.743 -3.922 1.00 0.00 C ATOM 217 CD LYS A 15 -19.498 -1.885 -4.631 1.00 0.00 C ATOM 218 CE LYS A 15 -19.555 -3.233 -5.354 1.00 0.00 C ATOM 219 NZ LYS A 15 -19.576 -2.892 -6.803 1.00 0.00 N ATOM 0 H LYS A 15 -16.198 -1.819 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.894 -2.005 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.182 -0.636 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.086 -2.375 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.954 -2.624 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.169 -0.885 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.310 -1.814 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.634 -1.072 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.692 -3.851 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.443 -3.797 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.478 -3.761 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.476 -2.427 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.788 -2.249 -7.020 1.00 0.00 H new ATOM 233 N ALA A 16 -14.660 0.086 -2.816 1.00 0.00 N ATOM 234 CA ALA A 16 -14.213 1.460 -2.454 1.00 0.00 C ATOM 235 C ALA A 16 -13.256 1.997 -3.522 1.00 0.00 C ATOM 236 O ALA A 16 -12.788 1.269 -4.373 1.00 0.00 O ATOM 237 CB ALA A 16 -13.489 1.300 -1.117 1.00 0.00 C ATOM 0 H ALA A 16 -14.495 -0.626 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.043 2.163 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.128 2.272 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.178 0.893 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.645 0.621 -1.239 1.00 0.00 H new ATOM 243 N ARG A 17 -12.965 3.267 -3.481 1.00 0.00 N ATOM 244 CA ARG A 17 -12.039 3.848 -4.492 1.00 0.00 C ATOM 245 C ARG A 17 -11.147 4.902 -3.833 1.00 0.00 C ATOM 246 O ARG A 17 -11.268 6.083 -4.086 1.00 0.00 O ATOM 247 CB ARG A 17 -12.947 4.493 -5.540 1.00 0.00 C ATOM 248 CG ARG A 17 -13.135 3.533 -6.718 1.00 0.00 C ATOM 249 CD ARG A 17 -14.174 4.108 -7.683 1.00 0.00 C ATOM 250 NE ARG A 17 -14.844 2.919 -8.281 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.135 2.008 -8.889 1.00 0.00 C ATOM 252 NH1 ARG A 17 -13.871 2.129 -10.162 1.00 0.00 N ATOM 253 NH2 ARG A 17 -13.692 0.975 -8.224 1.00 0.00 N ATOM 0 H ARG A 17 -13.328 3.927 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.381 3.099 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.913 4.736 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.510 5.429 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.187 3.384 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.459 2.557 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.889 4.743 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.703 4.723 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.857 2.817 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.219 2.935 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.317 1.417 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.900 0.881 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.138 0.262 -8.699 1.00 0.00 H new ATOM 267 N ILE A 18 -10.253 4.479 -2.984 1.00 0.00 N ATOM 268 CA ILE A 18 -9.354 5.451 -2.304 1.00 0.00 C ATOM 269 C ILE A 18 -7.938 5.348 -2.873 1.00 0.00 C ATOM 270 O ILE A 18 -7.498 4.293 -3.285 1.00 0.00 O ATOM 271 CB ILE A 18 -9.368 5.045 -0.832 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.740 5.362 -0.233 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.292 5.824 -0.071 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.285 4.116 0.461 1.00 0.00 C ATOM 0 H ILE A 18 -10.106 3.502 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.681 6.481 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.167 3.977 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.658 6.183 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.426 5.686 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.305 5.532 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.313 5.603 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.490 6.893 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.263 4.337 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.381 3.308 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.601 3.813 1.254 1.00 0.00 H new ATOM 286 N ILE A 19 -7.224 6.436 -2.892 1.00 0.00 N ATOM 287 CA ILE A 19 -5.835 6.405 -3.430 1.00 0.00 C ATOM 288 C ILE A 19 -4.840 6.195 -2.288 1.00 0.00 C ATOM 289 O ILE A 19 -4.202 7.121 -1.828 1.00 0.00 O ATOM 290 CB ILE A 19 -5.627 7.772 -4.084 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.590 7.928 -5.264 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.188 7.882 -4.588 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.553 6.667 -6.128 1.00 0.00 C ATOM 0 H ILE A 19 -7.541 7.346 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.683 5.593 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.819 8.556 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.602 8.101 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.313 8.797 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.039 8.856 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.500 7.772 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.998 7.097 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.239 6.781 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.542 6.513 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.852 5.807 -5.529 1.00 0.00 H new ATOM 305 N ARG A 20 -4.703 4.983 -1.828 1.00 0.00 N ATOM 306 CA ARG A 20 -3.751 4.713 -0.715 1.00 0.00 C ATOM 307 C ARG A 20 -2.336 4.533 -1.272 1.00 0.00 C ATOM 308 O ARG A 20 -2.100 4.684 -2.454 1.00 0.00 O ATOM 309 CB ARG A 20 -4.252 3.423 -0.068 1.00 0.00 C ATOM 310 CG ARG A 20 -5.536 3.712 0.714 1.00 0.00 C ATOM 311 CD ARG A 20 -5.192 3.957 2.185 1.00 0.00 C ATOM 312 NE ARG A 20 -6.354 4.715 2.730 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.870 4.379 3.880 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.100 3.924 4.832 1.00 0.00 N ATOM 315 NH2 ARG A 20 -8.154 4.498 4.079 1.00 0.00 N ATOM 0 H ARG A 20 -5.209 4.168 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.706 5.530 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.440 2.669 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.491 3.018 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.040 4.584 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.225 2.872 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.048 3.018 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.267 4.526 2.285 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.746 5.496 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.096 3.832 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.502 3.661 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.755 4.854 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.557 4.235 4.978 1.00 0.00 H new ATOM 329 N TYR A 21 -1.387 4.220 -0.432 1.00 0.00 N ATOM 330 CA TYR A 21 0.006 4.047 -0.930 1.00 0.00 C ATOM 331 C TYR A 21 0.511 2.623 -0.684 1.00 0.00 C ATOM 332 O TYR A 21 0.218 2.011 0.323 1.00 0.00 O ATOM 333 CB TYR A 21 0.839 5.036 -0.114 1.00 0.00 C ATOM 334 CG TYR A 21 0.638 6.437 -0.638 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.428 7.214 -0.169 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.525 6.964 -1.585 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.608 8.517 -0.646 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.345 8.267 -2.063 1.00 0.00 C ATOM 339 CZ TYR A 21 0.279 9.044 -1.594 1.00 0.00 C ATOM 340 OH TYR A 21 0.102 10.330 -2.064 1.00 0.00 O ATOM 0 H TYR A 21 -1.515 4.078 0.570 1.00 0.00 H new ATOM 0 HA TYR A 21 0.069 4.222 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.551 4.987 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.894 4.767 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.112 6.807 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.348 6.365 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.430 9.116 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.029 8.673 -2.794 1.00 0.00 H new ATOM 0 HH TYR A 21 0.804 10.540 -2.715 1.00 0.00 H new ATOM 350 N PHE A 22 1.295 2.111 -1.593 1.00 0.00 N ATOM 351 CA PHE A 22 1.864 0.743 -1.419 1.00 0.00 C ATOM 352 C PHE A 22 3.319 0.757 -1.889 1.00 0.00 C ATOM 353 O PHE A 22 3.745 1.667 -2.568 1.00 0.00 O ATOM 354 CB PHE A 22 1.002 -0.185 -2.281 1.00 0.00 C ATOM 355 CG PHE A 22 1.452 -0.143 -3.723 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.944 0.831 -4.592 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.379 -1.084 -4.190 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.363 0.864 -5.928 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.799 -1.051 -5.526 1.00 0.00 C ATOM 360 CZ PHE A 22 2.292 -0.077 -6.394 1.00 0.00 C ATOM 0 H PHE A 22 1.568 2.584 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 22 1.856 0.406 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.068 -1.205 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.044 0.114 -2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.229 1.556 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.770 -1.835 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.971 1.614 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.513 -1.777 -5.886 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.617 -0.050 -7.424 1.00 0.00 H new ATOM 370 N TYR A 23 4.090 -0.225 -1.525 1.00 0.00 N ATOM 371 CA TYR A 23 5.525 -0.228 -1.944 1.00 0.00 C ATOM 372 C TYR A 23 5.738 -1.013 -3.244 1.00 0.00 C ATOM 373 O TYR A 23 5.533 -2.207 -3.304 1.00 0.00 O ATOM 374 CB TYR A 23 6.282 -0.895 -0.794 1.00 0.00 C ATOM 375 CG TYR A 23 7.760 -0.724 -1.034 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.382 0.485 -0.702 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.505 -1.762 -1.607 1.00 0.00 C ATOM 378 CE1 TYR A 23 9.749 0.658 -0.940 1.00 0.00 C ATOM 379 CE2 TYR A 23 9.873 -1.590 -1.848 1.00 0.00 C ATOM 380 CZ TYR A 23 10.496 -0.380 -1.513 1.00 0.00 C ATOM 381 OH TYR A 23 11.844 -0.208 -1.750 1.00 0.00 O ATOM 0 H TYR A 23 3.797 -1.022 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 23 5.874 0.785 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.998 -0.446 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.027 -1.953 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.806 1.285 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.024 -2.695 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.229 1.591 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.448 -2.389 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 23 12.062 0.747 -1.724 1.00 0.00 H new ATOM 391 N ASN A 24 6.183 -0.347 -4.277 1.00 0.00 N ATOM 392 CA ASN A 24 6.449 -1.049 -5.563 1.00 0.00 C ATOM 393 C ASN A 24 7.904 -1.514 -5.580 1.00 0.00 C ATOM 394 O ASN A 24 8.791 -0.782 -5.966 1.00 0.00 O ATOM 395 CB ASN A 24 6.216 0.000 -6.654 1.00 0.00 C ATOM 396 CG ASN A 24 6.438 -0.637 -8.028 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.200 -1.573 -8.161 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.798 -0.165 -9.063 1.00 0.00 N ATOM 0 H ASN A 24 6.374 0.655 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 24 5.812 -1.922 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.203 0.395 -6.584 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.896 0.841 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.938 -0.582 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.158 0.621 -8.952 1.00 0.00 H new ATOM 405 N ALA A 25 8.168 -2.714 -5.147 1.00 0.00 N ATOM 406 CA ALA A 25 9.578 -3.195 -5.132 1.00 0.00 C ATOM 407 C ALA A 25 10.273 -2.832 -6.444 1.00 0.00 C ATOM 408 O ALA A 25 11.467 -2.616 -6.488 1.00 0.00 O ATOM 409 CB ALA A 25 9.485 -4.710 -4.964 1.00 0.00 C ATOM 0 H ALA A 25 7.475 -3.379 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 25 10.161 -2.739 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.488 -5.136 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.974 -4.942 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.927 -5.135 -5.798 1.00 0.00 H new ATOM 415 N LYS A 26 9.532 -2.751 -7.514 1.00 0.00 N ATOM 416 CA LYS A 26 10.152 -2.390 -8.819 1.00 0.00 C ATOM 417 C LYS A 26 10.465 -0.891 -8.848 1.00 0.00 C ATOM 418 O LYS A 26 11.328 -0.440 -9.576 1.00 0.00 O ATOM 419 CB LYS A 26 9.104 -2.742 -9.873 1.00 0.00 C ATOM 420 CG LYS A 26 9.638 -3.860 -10.771 1.00 0.00 C ATOM 421 CD LYS A 26 8.468 -4.593 -11.427 1.00 0.00 C ATOM 422 CE LYS A 26 7.863 -5.587 -10.433 1.00 0.00 C ATOM 423 NZ LYS A 26 6.527 -5.024 -10.090 1.00 0.00 N ATOM 0 H LYS A 26 8.526 -2.919 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 26 11.089 -2.918 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.180 -3.059 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.866 -1.863 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.294 -3.444 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.235 -4.558 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.711 -3.877 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.809 -5.118 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.772 -6.580 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.488 -5.688 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.325 -5.198 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.525 -4.000 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.798 -5.480 -10.674 1.00 0.00 H new ATOM 437 N ALA A 27 9.770 -0.116 -8.058 1.00 0.00 N ATOM 438 CA ALA A 27 10.028 1.352 -8.037 1.00 0.00 C ATOM 439 C ALA A 27 11.041 1.704 -6.940 1.00 0.00 C ATOM 440 O ALA A 27 11.620 2.772 -6.938 1.00 0.00 O ATOM 441 CB ALA A 27 8.668 1.986 -7.737 1.00 0.00 C ATOM 0 H ALA A 27 9.035 -0.437 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 27 10.449 1.709 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.771 3.071 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.959 1.713 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.304 1.627 -6.774 1.00 0.00 H new ATOM 447 N GLY A 28 11.260 0.815 -6.008 1.00 0.00 N ATOM 448 CA GLY A 28 12.235 1.105 -4.914 1.00 0.00 C ATOM 449 C GLY A 28 11.550 1.926 -3.819 1.00 0.00 C ATOM 450 O GLY A 28 12.120 2.191 -2.779 1.00 0.00 O ATOM 0 H GLY A 28 10.808 -0.098 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.618 0.173 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.090 1.652 -5.311 1.00 0.00 H new ATOM 454 N LEU A 29 10.331 2.329 -4.043 1.00 0.00 N ATOM 455 CA LEU A 29 9.605 3.128 -3.023 1.00 0.00 C ATOM 456 C LEU A 29 8.119 2.769 -3.064 1.00 0.00 C ATOM 457 O LEU A 29 7.756 1.630 -3.278 1.00 0.00 O ATOM 458 CB LEU A 29 9.830 4.586 -3.430 1.00 0.00 C ATOM 459 CG LEU A 29 9.299 4.809 -4.847 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.458 6.087 -4.882 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.477 4.950 -5.812 1.00 0.00 C ATOM 0 H LEU A 29 9.805 2.137 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 29 9.953 2.941 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.323 5.252 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.892 4.827 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 29 8.682 3.960 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.080 6.246 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.620 5.990 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.074 6.936 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.102 5.109 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.091 5.800 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.079 4.041 -5.787 1.00 0.00 H new ATOM 473 N CYS A 30 7.260 3.725 -2.862 1.00 0.00 N ATOM 474 CA CYS A 30 5.800 3.420 -2.886 1.00 0.00 C ATOM 475 C CYS A 30 5.085 4.169 -4.010 1.00 0.00 C ATOM 476 O CYS A 30 5.583 5.134 -4.557 1.00 0.00 O ATOM 477 CB CYS A 30 5.267 3.886 -1.531 1.00 0.00 C ATOM 478 SG CYS A 30 5.207 2.485 -0.389 1.00 0.00 S ATOM 0 H CYS A 30 7.501 4.700 -2.682 1.00 0.00 H new ATOM 0 HA CYS A 30 5.628 2.358 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.907 4.670 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.272 4.316 -1.648 1.00 0.00 H new ATOM 483 N GLN A 31 3.901 3.729 -4.333 1.00 0.00 N ATOM 484 CA GLN A 31 3.104 4.395 -5.400 1.00 0.00 C ATOM 485 C GLN A 31 1.625 4.360 -5.005 1.00 0.00 C ATOM 486 O GLN A 31 1.237 3.653 -4.095 1.00 0.00 O ATOM 487 CB GLN A 31 3.351 3.571 -6.665 1.00 0.00 C ATOM 488 CG GLN A 31 4.820 3.694 -7.079 1.00 0.00 C ATOM 489 CD GLN A 31 4.910 3.924 -8.589 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.903 4.046 -9.260 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.084 3.993 -9.156 1.00 0.00 N ATOM 0 H GLN A 31 3.446 2.926 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 31 3.382 5.438 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.100 2.526 -6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.705 3.920 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.290 4.520 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.362 2.789 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.929 3.891 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.156 4.149 -10.161 1.00 0.00 H new ATOM 500 N THR A 32 0.794 5.115 -5.663 1.00 0.00 N ATOM 501 CA THR A 32 -0.650 5.107 -5.293 1.00 0.00 C ATOM 502 C THR A 32 -1.367 3.931 -5.955 1.00 0.00 C ATOM 503 O THR A 32 -1.074 3.555 -7.071 1.00 0.00 O ATOM 504 CB THR A 32 -1.204 6.435 -5.814 1.00 0.00 C ATOM 505 OG1 THR A 32 -1.038 6.495 -7.223 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.453 7.597 -5.162 1.00 0.00 C ATOM 0 H THR A 32 1.047 5.733 -6.434 1.00 0.00 H new ATOM 0 HA THR A 32 -0.795 4.998 -4.218 1.00 0.00 H new ATOM 0 HB THR A 32 -2.263 6.507 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.394 7.344 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.850 8.541 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.581 7.552 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.607 7.527 -5.405 1.00 0.00 H new ATOM 514 N PHE A 33 -2.314 3.356 -5.268 1.00 0.00 N ATOM 515 CA PHE A 33 -3.072 2.210 -5.846 1.00 0.00 C ATOM 516 C PHE A 33 -4.528 2.261 -5.368 1.00 0.00 C ATOM 517 O PHE A 33 -4.883 3.062 -4.526 1.00 0.00 O ATOM 518 CB PHE A 33 -2.352 0.951 -5.343 1.00 0.00 C ATOM 519 CG PHE A 33 -2.835 0.571 -3.960 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.227 1.123 -2.825 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.882 -0.349 -3.814 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.666 0.760 -1.548 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.321 -0.714 -2.535 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.713 -0.159 -1.401 1.00 0.00 C ATOM 0 H PHE A 33 -2.597 3.631 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.102 2.229 -6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.527 0.126 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.276 1.126 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.418 1.830 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.351 -0.777 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.198 1.188 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.128 -1.423 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.051 -0.440 -0.414 1.00 0.00 H new ATOM 534 N VAL A 34 -5.377 1.429 -5.906 1.00 0.00 N ATOM 535 CA VAL A 34 -6.807 1.458 -5.482 1.00 0.00 C ATOM 536 C VAL A 34 -7.023 0.596 -4.235 1.00 0.00 C ATOM 537 O VAL A 34 -6.738 -0.585 -4.222 1.00 0.00 O ATOM 538 CB VAL A 34 -7.587 0.895 -6.667 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.086 0.934 -6.357 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.301 1.743 -7.910 1.00 0.00 C ATOM 0 H VAL A 34 -5.146 0.734 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.132 2.465 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.281 -0.135 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.643 0.532 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.290 0.334 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.394 1.964 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.857 1.344 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.609 2.772 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.234 1.717 -8.130 1.00 0.00 H new ATOM 550 N TYR A 35 -7.530 1.187 -3.188 1.00 0.00 N ATOM 551 CA TYR A 35 -7.773 0.426 -1.927 1.00 0.00 C ATOM 552 C TYR A 35 -9.257 0.035 -1.829 1.00 0.00 C ATOM 553 O TYR A 35 -10.121 0.728 -2.326 1.00 0.00 O ATOM 554 CB TYR A 35 -7.386 1.412 -0.824 1.00 0.00 C ATOM 555 CG TYR A 35 -7.684 0.826 0.534 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.524 -0.547 0.764 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.114 1.664 1.570 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.796 -1.079 2.032 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.386 1.133 2.835 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.228 -0.238 3.067 1.00 0.00 C ATOM 561 OH TYR A 35 -8.496 -0.759 4.315 1.00 0.00 O ATOM 0 H TYR A 35 -7.789 2.173 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.206 -0.503 -1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.326 1.653 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.935 2.345 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.192 -1.194 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.236 2.722 1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.673 -2.137 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.718 1.781 3.633 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.783 -0.039 4.915 1.00 0.00 H new ATOM 571 N GLY A 36 -9.556 -1.079 -1.209 1.00 0.00 N ATOM 572 CA GLY A 36 -10.982 -1.516 -1.105 1.00 0.00 C ATOM 573 C GLY A 36 -11.578 -1.098 0.243 1.00 0.00 C ATOM 574 O GLY A 36 -12.750 -1.298 0.493 1.00 0.00 O ATOM 0 H GLY A 36 -8.877 -1.703 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.562 -1.077 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.045 -2.598 -1.217 1.00 0.00 H new ATOM 578 N ALA A 37 -10.789 -0.520 1.112 1.00 0.00 N ATOM 579 CA ALA A 37 -11.323 -0.089 2.443 1.00 0.00 C ATOM 580 C ALA A 37 -11.593 -1.299 3.347 1.00 0.00 C ATOM 581 O ALA A 37 -11.984 -1.150 4.488 1.00 0.00 O ATOM 582 CB ALA A 37 -12.629 0.651 2.139 1.00 0.00 C ATOM 0 H ALA A 37 -9.799 -0.327 0.960 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.609 0.542 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.077 0.996 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.421 1.507 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.320 -0.023 1.632 1.00 0.00 H new ATOM 588 N CYS A 38 -11.393 -2.494 2.857 1.00 0.00 N ATOM 589 CA CYS A 38 -11.645 -3.692 3.711 1.00 0.00 C ATOM 590 C CYS A 38 -10.561 -4.753 3.487 1.00 0.00 C ATOM 591 O CYS A 38 -9.964 -4.836 2.431 1.00 0.00 O ATOM 592 CB CYS A 38 -13.013 -4.215 3.268 1.00 0.00 C ATOM 593 SG CYS A 38 -12.970 -4.599 1.501 1.00 0.00 S ATOM 0 H CYS A 38 -11.069 -2.692 1.910 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.626 -3.448 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.275 -5.106 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.782 -3.469 3.470 1.00 0.00 H new ATOM 598 N ARG A 39 -10.303 -5.565 4.478 1.00 0.00 N ATOM 599 CA ARG A 39 -9.261 -6.622 4.332 1.00 0.00 C ATOM 600 C ARG A 39 -7.969 -6.023 3.769 1.00 0.00 C ATOM 601 O ARG A 39 -7.333 -6.591 2.905 1.00 0.00 O ATOM 602 CB ARG A 39 -9.859 -7.631 3.352 1.00 0.00 C ATOM 603 CG ARG A 39 -10.710 -8.643 4.121 1.00 0.00 C ATOM 604 CD ARG A 39 -12.132 -8.651 3.554 1.00 0.00 C ATOM 605 NE ARG A 39 -12.996 -9.077 4.689 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.250 -10.344 4.877 1.00 0.00 C ATOM 607 NH1 ARG A 39 -14.166 -10.939 4.161 1.00 0.00 N ATOM 608 NH2 ARG A 39 -12.588 -11.015 5.780 1.00 0.00 N ATOM 0 H ARG A 39 -10.770 -5.541 5.384 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.003 -7.082 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.469 -7.116 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.064 -8.144 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.270 -9.637 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.731 -8.386 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.417 -7.664 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.218 -9.339 2.713 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.390 -8.379 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.683 -10.414 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.365 -11.929 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.873 -10.550 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.786 -12.005 5.927 1.00 0.00 H new ATOM 622 N ALA A 40 -7.576 -4.877 4.255 1.00 0.00 N ATOM 623 CA ALA A 40 -6.327 -4.236 3.748 1.00 0.00 C ATOM 624 C ALA A 40 -5.093 -5.012 4.216 1.00 0.00 C ATOM 625 O ALA A 40 -5.089 -5.618 5.270 1.00 0.00 O ATOM 626 CB ALA A 40 -6.332 -2.834 4.354 1.00 0.00 C ATOM 0 H ALA A 40 -8.066 -4.356 4.982 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.291 -4.217 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.443 -2.294 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.222 -2.298 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.334 -2.908 5.442 1.00 0.00 H new ATOM 632 N LYS A 41 -4.042 -4.994 3.441 1.00 0.00 N ATOM 633 CA LYS A 41 -2.804 -5.720 3.842 1.00 0.00 C ATOM 634 C LYS A 41 -1.784 -4.729 4.407 1.00 0.00 C ATOM 635 O LYS A 41 -2.114 -3.607 4.737 1.00 0.00 O ATOM 636 CB LYS A 41 -2.279 -6.359 2.555 1.00 0.00 C ATOM 637 CG LYS A 41 -3.331 -7.316 1.989 1.00 0.00 C ATOM 638 CD LYS A 41 -2.750 -8.063 0.786 1.00 0.00 C ATOM 639 CE LYS A 41 -2.074 -9.351 1.261 1.00 0.00 C ATOM 640 NZ LYS A 41 -2.563 -10.408 0.330 1.00 0.00 N ATOM 0 H LYS A 41 -3.988 -4.507 2.546 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.990 -6.467 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.045 -5.586 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.353 -6.898 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.642 -8.026 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.220 -6.760 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.541 -8.297 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.029 -7.432 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.988 -9.264 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.341 -9.580 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.143 -11.323 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.599 -10.473 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.289 -10.167 -0.644 1.00 0.00 H new ATOM 654 N ARG A 42 -0.547 -5.128 4.517 1.00 0.00 N ATOM 655 CA ARG A 42 0.489 -4.198 5.059 1.00 0.00 C ATOM 656 C ARG A 42 0.996 -3.274 3.950 1.00 0.00 C ATOM 657 O ARG A 42 1.666 -2.293 4.203 1.00 0.00 O ATOM 658 CB ARG A 42 1.619 -5.096 5.571 1.00 0.00 C ATOM 659 CG ARG A 42 1.028 -6.324 6.271 1.00 0.00 C ATOM 660 CD ARG A 42 2.096 -6.980 7.145 1.00 0.00 C ATOM 661 NE ARG A 42 1.719 -8.419 7.199 1.00 0.00 N ATOM 662 CZ ARG A 42 1.347 -8.955 8.329 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.429 -8.377 9.055 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.892 -10.070 8.732 1.00 0.00 N ATOM 0 H ARG A 42 -0.207 -6.054 4.257 1.00 0.00 H new ATOM 0 HA ARG A 42 0.094 -3.562 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.252 -5.409 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.252 -4.541 6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.174 -6.031 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.662 -7.036 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.090 -6.848 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.116 -6.539 8.142 1.00 0.00 H new ATOM 0 HE ARG A 42 1.751 -8.986 6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.002 -7.506 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.138 -8.796 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.608 -10.522 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.602 -10.490 9.615 1.00 0.00 H new ATOM 678 N ASN A 43 0.681 -3.581 2.721 1.00 0.00 N ATOM 679 CA ASN A 43 1.142 -2.715 1.598 1.00 0.00 C ATOM 680 C ASN A 43 0.044 -1.714 1.227 1.00 0.00 C ATOM 681 O ASN A 43 -0.367 -1.616 0.089 1.00 0.00 O ATOM 682 CB ASN A 43 1.406 -3.681 0.443 1.00 0.00 C ATOM 683 CG ASN A 43 2.550 -3.147 -0.419 1.00 0.00 C ATOM 684 OD1 ASN A 43 2.707 -1.954 -0.565 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.360 -3.988 -0.998 1.00 0.00 N ATOM 0 H ASN A 43 0.126 -4.392 2.446 1.00 0.00 H new ATOM 0 HA ASN A 43 2.029 -2.134 1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.659 -4.668 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.506 -3.797 -0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.127 -3.642 -1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.227 -4.992 -0.874 1.00 0.00 H new ATOM 692 N ASN A 44 -0.431 -0.969 2.188 1.00 0.00 N ATOM 693 CA ASN A 44 -1.505 0.030 1.914 1.00 0.00 C ATOM 694 C ASN A 44 -1.406 1.172 2.931 1.00 0.00 C ATOM 695 O ASN A 44 -2.064 1.165 3.951 1.00 0.00 O ATOM 696 CB ASN A 44 -2.811 -0.747 2.092 1.00 0.00 C ATOM 697 CG ASN A 44 -4.001 0.216 2.134 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.828 1.419 2.143 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.211 -0.270 2.156 1.00 0.00 N ATOM 0 H ASN A 44 -0.119 -1.010 3.158 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.434 0.475 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.936 -1.454 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.773 -1.329 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.013 0.360 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.355 -1.280 2.148 1.00 0.00 H new ATOM 706 N PHE A 45 -0.576 2.143 2.664 1.00 0.00 N ATOM 707 CA PHE A 45 -0.420 3.277 3.623 1.00 0.00 C ATOM 708 C PHE A 45 -1.262 4.474 3.167 1.00 0.00 C ATOM 709 O PHE A 45 -1.567 4.624 2.000 1.00 0.00 O ATOM 710 CB PHE A 45 1.077 3.612 3.599 1.00 0.00 C ATOM 711 CG PHE A 45 1.880 2.328 3.627 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.081 1.650 4.839 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.409 1.806 2.440 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.807 0.450 4.860 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.140 0.608 2.461 1.00 0.00 C ATOM 716 CZ PHE A 45 3.338 -0.071 3.670 1.00 0.00 C ATOM 0 H PHE A 45 0.001 2.202 1.825 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.759 3.025 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.318 4.185 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.335 4.234 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.677 2.052 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.254 2.326 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.957 -0.073 5.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.550 0.210 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.898 -0.994 3.686 1.00 0.00 H new ATOM 726 N LYS A 46 -1.649 5.321 4.082 1.00 0.00 N ATOM 727 CA LYS A 46 -2.483 6.502 3.709 1.00 0.00 C ATOM 728 C LYS A 46 -1.604 7.633 3.166 1.00 0.00 C ATOM 729 O LYS A 46 -2.079 8.536 2.504 1.00 0.00 O ATOM 730 CB LYS A 46 -3.165 6.929 5.010 1.00 0.00 C ATOM 731 CG LYS A 46 -3.874 8.269 4.803 1.00 0.00 C ATOM 732 CD LYS A 46 -4.888 8.141 3.665 1.00 0.00 C ATOM 733 CE LYS A 46 -6.207 8.799 4.081 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.947 9.016 2.806 1.00 0.00 N ATOM 0 H LYS A 46 -1.424 5.247 5.074 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.203 6.264 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.883 6.171 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.427 7.016 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.378 8.571 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.146 9.045 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.501 8.616 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.053 7.090 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.770 8.159 4.761 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.032 9.741 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.863 9.464 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.390 9.634 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.105 8.102 2.337 1.00 0.00 H new ATOM 748 N SER A 47 -0.330 7.594 3.439 1.00 0.00 N ATOM 749 CA SER A 47 0.571 8.672 2.934 1.00 0.00 C ATOM 750 C SER A 47 1.919 8.090 2.513 1.00 0.00 C ATOM 751 O SER A 47 2.333 7.050 2.982 1.00 0.00 O ATOM 752 CB SER A 47 0.752 9.627 4.111 1.00 0.00 C ATOM 753 OG SER A 47 1.437 8.954 5.159 1.00 0.00 O ATOM 0 H SER A 47 0.127 6.866 3.988 1.00 0.00 H new ATOM 0 HA SER A 47 0.154 9.173 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.315 10.506 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.218 9.979 4.462 1.00 0.00 H new ATOM 0 HG SER A 47 1.557 9.564 5.916 1.00 0.00 H new ATOM 759 N ALA A 48 2.608 8.762 1.634 1.00 0.00 N ATOM 760 CA ALA A 48 3.934 8.255 1.186 1.00 0.00 C ATOM 761 C ALA A 48 4.893 8.212 2.377 1.00 0.00 C ATOM 762 O ALA A 48 5.802 7.406 2.431 1.00 0.00 O ATOM 763 CB ALA A 48 4.415 9.264 0.142 1.00 0.00 C ATOM 0 H ALA A 48 2.311 9.639 1.207 1.00 0.00 H new ATOM 0 HA ALA A 48 3.881 7.247 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.390 8.958 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.702 9.304 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.496 10.250 0.599 1.00 0.00 H new ATOM 769 N GLU A 49 4.689 9.073 3.336 1.00 0.00 N ATOM 770 CA GLU A 49 5.577 9.087 4.533 1.00 0.00 C ATOM 771 C GLU A 49 5.224 7.916 5.451 1.00 0.00 C ATOM 772 O GLU A 49 6.037 7.448 6.221 1.00 0.00 O ATOM 773 CB GLU A 49 5.299 10.422 5.224 1.00 0.00 C ATOM 774 CG GLU A 49 6.590 11.241 5.278 1.00 0.00 C ATOM 775 CD GLU A 49 6.321 12.575 5.976 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.213 12.759 6.452 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.228 13.390 6.022 1.00 0.00 O ATOM 0 H GLU A 49 3.944 9.769 3.342 1.00 0.00 H new ATOM 0 HA GLU A 49 6.630 8.984 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.529 10.971 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.920 10.251 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.362 10.688 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.965 11.416 4.269 1.00 0.00 H new ATOM 784 N ASP A 50 4.018 7.428 5.358 1.00 0.00 N ATOM 785 CA ASP A 50 3.615 6.273 6.206 1.00 0.00 C ATOM 786 C ASP A 50 4.273 5.015 5.651 1.00 0.00 C ATOM 787 O ASP A 50 4.662 4.123 6.379 1.00 0.00 O ATOM 788 CB ASP A 50 2.092 6.193 6.083 1.00 0.00 C ATOM 789 CG ASP A 50 1.556 5.129 7.043 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.245 4.825 8.004 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.467 4.636 6.802 1.00 0.00 O ATOM 0 H ASP A 50 3.294 7.780 4.731 1.00 0.00 H new ATOM 0 HA ASP A 50 3.916 6.377 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.647 7.161 6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.812 5.948 5.059 1.00 0.00 H new ATOM 796 N CYS A 51 4.422 4.959 4.357 1.00 0.00 N ATOM 797 CA CYS A 51 5.078 3.784 3.725 1.00 0.00 C ATOM 798 C CYS A 51 6.576 3.829 4.041 1.00 0.00 C ATOM 799 O CYS A 51 7.169 2.855 4.452 1.00 0.00 O ATOM 800 CB CYS A 51 4.836 3.970 2.220 1.00 0.00 C ATOM 801 SG CYS A 51 6.145 3.152 1.264 1.00 0.00 S ATOM 0 H CYS A 51 4.115 5.683 3.707 1.00 0.00 H new ATOM 0 HA CYS A 51 4.693 2.828 4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.865 3.557 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.810 5.032 1.978 1.00 0.00 H new ATOM 806 N MET A 52 7.187 4.964 3.839 1.00 0.00 N ATOM 807 CA MET A 52 8.646 5.087 4.112 1.00 0.00 C ATOM 808 C MET A 52 8.947 4.688 5.559 1.00 0.00 C ATOM 809 O MET A 52 9.727 3.792 5.816 1.00 0.00 O ATOM 810 CB MET A 52 8.967 6.564 3.883 1.00 0.00 C ATOM 811 CG MET A 52 8.897 6.874 2.387 1.00 0.00 C ATOM 812 SD MET A 52 10.562 7.219 1.765 1.00 0.00 S ATOM 813 CE MET A 52 10.810 5.644 0.909 1.00 0.00 C ATOM 0 H MET A 52 6.737 5.813 3.496 1.00 0.00 H new ATOM 0 HA MET A 52 9.244 4.437 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.261 7.190 4.429 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.960 6.795 4.267 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.464 6.030 1.850 1.00 0.00 H new ATOM 0 HG3 MET A 52 8.247 7.731 2.212 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.869 5.512 0.689 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.467 4.827 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.243 5.643 -0.022 1.00 0.00 H new ATOM 823 N ARG A 53 8.331 5.343 6.505 1.00 0.00 N ATOM 824 CA ARG A 53 8.581 4.998 7.933 1.00 0.00 C ATOM 825 C ARG A 53 8.504 3.482 8.126 1.00 0.00 C ATOM 826 O ARG A 53 9.069 2.933 9.051 1.00 0.00 O ATOM 827 CB ARG A 53 7.460 5.690 8.710 1.00 0.00 C ATOM 828 CG ARG A 53 7.731 7.194 8.770 1.00 0.00 C ATOM 829 CD ARG A 53 7.745 7.651 10.230 1.00 0.00 C ATOM 830 NE ARG A 53 6.755 8.761 10.294 1.00 0.00 N ATOM 831 CZ ARG A 53 6.890 9.705 11.183 1.00 0.00 C ATOM 832 NH1 ARG A 53 7.742 10.672 10.983 1.00 0.00 N ATOM 833 NH2 ARG A 53 6.175 9.679 12.275 1.00 0.00 N ATOM 0 H ARG A 53 7.666 6.101 6.351 1.00 0.00 H new ATOM 0 HA ARG A 53 9.568 5.316 8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.500 5.502 8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.396 5.281 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.686 7.421 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.964 7.735 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.470 6.837 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.737 7.989 10.529 1.00 0.00 H new ATOM 0 HE ARG A 53 5.971 8.783 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.303 10.690 10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.848 11.411 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.511 8.920 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.280 10.417 12.971 1.00 0.00 H new ATOM 847 N THR A 54 7.803 2.803 7.260 1.00 0.00 N ATOM 848 CA THR A 54 7.679 1.323 7.394 1.00 0.00 C ATOM 849 C THR A 54 8.651 0.610 6.447 1.00 0.00 C ATOM 850 O THR A 54 9.541 -0.097 6.874 1.00 0.00 O ATOM 851 CB THR A 54 6.232 1.017 7.003 1.00 0.00 C ATOM 852 OG1 THR A 54 5.352 1.701 7.884 1.00 0.00 O ATOM 853 CG2 THR A 54 5.983 -0.488 7.099 1.00 0.00 C ATOM 0 H THR A 54 7.310 3.209 6.465 1.00 0.00 H new ATOM 0 HA THR A 54 7.918 0.981 8.401 1.00 0.00 H new ATOM 0 HB THR A 54 6.054 1.348 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.060 2.539 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.952 -0.705 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.659 -1.012 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.160 -0.822 8.121 1.00 0.00 H new ATOM 861 N CYS A 55 8.475 0.777 5.164 1.00 0.00 N ATOM 862 CA CYS A 55 9.376 0.099 4.189 1.00 0.00 C ATOM 863 C CYS A 55 10.383 1.092 3.607 1.00 0.00 C ATOM 864 O CYS A 55 10.769 0.998 2.458 1.00 0.00 O ATOM 865 CB CYS A 55 8.440 -0.415 3.097 1.00 0.00 C ATOM 866 SG CYS A 55 7.143 -1.419 3.854 1.00 0.00 S ATOM 0 H CYS A 55 7.744 1.355 4.749 1.00 0.00 H new ATOM 0 HA CYS A 55 9.958 -0.700 4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.999 0.422 2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.998 -1.007 2.371 1.00 0.00 H new ATOM 871 N GLY A 56 10.812 2.043 4.389 1.00 0.00 N ATOM 872 CA GLY A 56 11.795 3.041 3.876 1.00 0.00 C ATOM 873 C GLY A 56 13.215 2.505 4.071 1.00 0.00 C ATOM 874 O GLY A 56 14.099 3.210 4.513 1.00 0.00 O ATOM 0 H GLY A 56 10.526 2.173 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.611 3.239 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.677 3.988 4.403 1.00 0.00 H new ATOM 878 N GLY A 57 13.441 1.260 3.746 1.00 0.00 N ATOM 879 CA GLY A 57 14.805 0.683 3.914 1.00 0.00 C ATOM 880 C GLY A 57 15.430 0.437 2.540 1.00 0.00 C ATOM 881 O GLY A 57 15.923 -0.636 2.256 1.00 0.00 O ATOM 0 H GLY A 57 12.741 0.619 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.430 1.363 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.749 -0.252 4.472 1.00 0.00 H new ATOM 885 N ALA A 58 15.413 1.422 1.684 1.00 0.00 N ATOM 886 CA ALA A 58 16.006 1.243 0.327 1.00 0.00 C ATOM 887 C ALA A 58 17.085 2.301 0.078 1.00 0.00 C ATOM 888 O ALA A 58 17.156 2.794 -1.036 1.00 0.00 O ATOM 889 CB ALA A 58 14.839 1.427 -0.642 1.00 0.00 C ATOM 890 OXT ALA A 58 17.820 2.600 1.003 1.00 0.00 O ATOM 0 H ALA A 58 15.014 2.343 1.865 1.00 0.00 H new ATOM 0 HA ALA A 58 16.483 0.270 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.194 1.310 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.073 0.679 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.416 2.424 -0.517 1.00 0.00 H new TER 896 ALA A 58