USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 354 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.0919 K(o=-0.092,f=-1.8!) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= -0.135 USER MOD Set 2.2: A 47 HIS : no HD1:sc= -0.199 K(o=-0.33,f=0.17) USER MOD Single : A 1 SER N :NH3+ -130:sc= 0.129 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -150:sc= -0.121 (180deg=-1.34) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0557 K(o=-0.056,f=-2.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.9!) USER MOD Single : A 29 GLN : amide:sc= -4.58! C(o=-4.6!,f=-13!) USER MOD Single : A 40 ASN : amide:sc= -4.41! C(o=-4.4!,f=-15!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.49) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.0257 (180deg=-0.304) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.571 -1.782 -13.417 1.00 0.00 N ATOM 2 CA SER A 1 4.182 -1.795 -12.878 1.00 0.00 C ATOM 3 C SER A 1 4.224 -2.104 -11.390 1.00 0.00 C ATOM 4 O SER A 1 5.294 -2.306 -10.816 1.00 0.00 O ATOM 5 CB SER A 1 3.361 -2.859 -13.605 1.00 0.00 C ATOM 6 OG SER A 1 3.109 -2.421 -14.932 1.00 0.00 O ATOM 0 H1 SER A 1 5.722 -0.911 -13.965 1.00 0.00 H new ATOM 0 H2 SER A 1 6.249 -1.818 -12.629 1.00 0.00 H new ATOM 0 H3 SER A 1 5.712 -2.608 -14.033 1.00 0.00 H new ATOM 0 HA SER A 1 3.720 -0.820 -13.033 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.899 -3.807 -13.617 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.421 -3.033 -13.081 1.00 0.00 H new ATOM 0 HG SER A 1 2.584 -3.099 -15.406 1.00 0.00 H new ATOM 12 N GLU A 2 3.054 -2.135 -10.766 1.00 0.00 N ATOM 13 CA GLU A 2 2.979 -2.417 -9.342 1.00 0.00 C ATOM 14 C GLU A 2 3.359 -3.877 -9.062 1.00 0.00 C ATOM 15 O GLU A 2 3.163 -4.736 -9.918 1.00 0.00 O ATOM 16 CB GLU A 2 1.553 -2.184 -8.828 1.00 0.00 C ATOM 17 CG GLU A 2 1.321 -0.696 -8.570 1.00 0.00 C ATOM 18 CD GLU A 2 -0.168 -0.437 -8.368 1.00 0.00 C ATOM 19 OE1 GLU A 2 -0.643 -0.655 -7.265 1.00 0.00 O ATOM 20 OE2 GLU A 2 -0.811 -0.025 -9.318 1.00 0.00 O ATOM 0 H GLU A 2 2.155 -1.970 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 2 3.674 -1.749 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.831 -2.551 -9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.393 -2.749 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.878 -0.378 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.692 -0.109 -9.410 1.00 0.00 H new ATOM 27 N PRO A 3 3.868 -4.167 -7.883 1.00 0.00 N ATOM 28 CA PRO A 3 4.238 -5.556 -7.468 1.00 0.00 C ATOM 29 C PRO A 3 3.245 -6.674 -7.829 1.00 0.00 C ATOM 30 O PRO A 3 2.560 -7.266 -6.997 1.00 0.00 O ATOM 31 CB PRO A 3 4.460 -5.474 -5.949 1.00 0.00 C ATOM 32 CG PRO A 3 4.713 -4.025 -5.640 1.00 0.00 C ATOM 33 CD PRO A 3 4.186 -3.187 -6.820 1.00 0.00 C ATOM 0 HA PRO A 3 5.122 -5.857 -8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.588 -5.841 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.306 -6.090 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.211 -3.739 -4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.778 -3.847 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.302 -2.616 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.933 -2.469 -7.158 1.00 0.00 H new ATOM 41 N ASP A 4 3.293 -6.939 -9.129 1.00 0.00 N ATOM 42 CA ASP A 4 2.510 -7.998 -9.791 1.00 0.00 C ATOM 43 C ASP A 4 3.319 -9.284 -9.645 1.00 0.00 C ATOM 44 O ASP A 4 2.713 -10.350 -9.710 1.00 0.00 O ATOM 45 CB ASP A 4 2.295 -7.658 -11.277 1.00 0.00 C ATOM 46 CG ASP A 4 1.837 -8.895 -12.034 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.647 -9.165 -12.024 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.682 -9.560 -12.607 1.00 0.00 O ATOM 0 H ASP A 4 3.887 -6.418 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 4 1.523 -8.102 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.551 -6.867 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.221 -7.279 -11.709 1.00 0.00 H new ATOM 53 N GLU A 5 4.619 -9.282 -9.485 1.00 0.00 N ATOM 54 CA GLU A 5 5.307 -10.568 -9.382 1.00 0.00 C ATOM 55 C GLU A 5 4.654 -11.526 -8.382 1.00 0.00 C ATOM 56 O GLU A 5 4.534 -12.723 -8.641 1.00 0.00 O ATOM 57 CB GLU A 5 6.754 -10.339 -8.986 1.00 0.00 C ATOM 58 CG GLU A 5 7.333 -9.250 -9.882 1.00 0.00 C ATOM 59 CD GLU A 5 8.802 -9.050 -9.561 1.00 0.00 C ATOM 60 OE1 GLU A 5 9.309 -9.787 -8.735 1.00 0.00 O ATOM 61 OE2 GLU A 5 9.394 -8.161 -10.145 1.00 0.00 O ATOM 0 H GLU A 5 5.210 -8.453 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 5 5.241 -11.039 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.818 -10.042 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.326 -11.261 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.214 -9.527 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.789 -8.317 -9.735 1.00 0.00 H new ATOM 68 N ILE A 6 4.237 -10.985 -7.241 1.00 0.00 N ATOM 69 CA ILE A 6 3.601 -11.784 -6.195 1.00 0.00 C ATOM 70 C ILE A 6 2.266 -12.338 -6.697 1.00 0.00 C ATOM 71 O ILE A 6 1.922 -13.492 -6.438 1.00 0.00 O ATOM 72 CB ILE A 6 3.356 -10.915 -4.961 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.661 -10.209 -4.561 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.856 -11.780 -3.797 1.00 0.00 C ATOM 75 CD1 ILE A 6 5.799 -11.221 -4.383 1.00 0.00 C ATOM 0 H ILE A 6 4.328 -9.994 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 6 4.259 -12.613 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 6 2.598 -10.168 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.933 -9.480 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.511 -9.658 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.685 -11.151 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.924 -12.268 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.604 -12.536 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.712 -10.696 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.533 -11.934 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.962 -11.753 -5.320 1.00 0.00 H new ATOM 87 N CYS A 7 1.510 -11.494 -7.394 1.00 0.00 N ATOM 88 CA CYS A 7 0.214 -11.914 -7.903 1.00 0.00 C ATOM 89 C CYS A 7 0.371 -13.092 -8.865 1.00 0.00 C ATOM 90 O CYS A 7 -0.397 -14.045 -8.826 1.00 0.00 O ATOM 91 CB CYS A 7 -0.527 -10.745 -8.565 1.00 0.00 C ATOM 92 SG CYS A 7 -2.235 -10.733 -8.003 1.00 0.00 S ATOM 0 H CYS A 7 1.769 -10.532 -7.615 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.392 -12.246 -7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.042 -9.802 -8.313 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.489 -10.843 -9.650 1.00 0.00 H new ATOM 97 N ARG A 8 1.379 -12.991 -9.729 1.00 0.00 N ATOM 98 CA ARG A 8 1.637 -14.021 -10.732 1.00 0.00 C ATOM 99 C ARG A 8 2.069 -15.320 -10.079 1.00 0.00 C ATOM 100 O ARG A 8 1.687 -16.404 -10.524 1.00 0.00 O ATOM 101 CB ARG A 8 2.684 -13.545 -11.736 1.00 0.00 C ATOM 102 CG ARG A 8 2.058 -12.468 -12.630 1.00 0.00 C ATOM 103 CD ARG A 8 3.095 -11.985 -13.638 1.00 0.00 C ATOM 104 NE ARG A 8 2.526 -10.968 -14.513 1.00 0.00 N ATOM 105 CZ ARG A 8 3.144 -10.608 -15.630 1.00 0.00 C ATOM 106 NH1 ARG A 8 2.630 -9.682 -16.391 1.00 0.00 N ATOM 107 NH2 ARG A 8 4.269 -11.180 -15.964 1.00 0.00 N ATOM 0 H ARG A 8 2.030 -12.206 -9.754 1.00 0.00 H new ATOM 0 HA ARG A 8 0.708 -14.209 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.553 -13.144 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.034 -14.381 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.189 -12.871 -13.150 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.708 -11.633 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.959 -11.578 -13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.451 -12.826 -14.233 1.00 0.00 H new ATOM 0 HE ARG A 8 1.641 -10.527 -14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.752 -9.234 -16.127 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.106 -9.406 -17.250 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.671 -11.902 -15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.746 -10.905 -16.823 1.00 0.00 H new ATOM 121 N ALA A 9 2.896 -15.208 -9.055 1.00 0.00 N ATOM 122 CA ALA A 9 3.436 -16.360 -8.355 1.00 0.00 C ATOM 123 C ALA A 9 2.341 -17.166 -7.669 1.00 0.00 C ATOM 124 O ALA A 9 2.596 -18.274 -7.197 1.00 0.00 O ATOM 125 CB ALA A 9 4.425 -15.831 -7.325 1.00 0.00 C ATOM 0 H ALA A 9 3.213 -14.312 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 9 3.921 -17.032 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.857 -16.666 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.218 -15.281 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.908 -15.167 -6.632 1.00 0.00 H new ATOM 131 N ARG A 10 1.123 -16.609 -7.566 1.00 0.00 N ATOM 132 CA ARG A 10 0.018 -17.274 -6.885 1.00 0.00 C ATOM 133 C ARG A 10 -0.990 -17.834 -7.875 1.00 0.00 C ATOM 134 O ARG A 10 -1.860 -18.622 -7.507 1.00 0.00 O ATOM 135 CB ARG A 10 -0.671 -16.254 -5.963 1.00 0.00 C ATOM 136 CG ARG A 10 -1.799 -16.925 -5.181 1.00 0.00 C ATOM 137 CD ARG A 10 -2.349 -15.958 -4.137 1.00 0.00 C ATOM 138 NE ARG A 10 -3.477 -16.575 -3.447 1.00 0.00 N ATOM 139 CZ ARG A 10 -3.291 -17.391 -2.415 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.317 -17.938 -1.823 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.082 -17.652 -1.998 1.00 0.00 N ATOM 0 H ARG A 10 0.886 -15.695 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 10 0.412 -18.110 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.057 -15.828 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.069 -15.430 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.594 -17.231 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.430 -17.828 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.570 -15.698 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.665 -15.031 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.426 -16.376 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.262 -17.739 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.174 -18.564 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.279 -17.229 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.940 -18.278 -1.206 1.00 0.00 H new ATOM 155 N MET A 11 -0.877 -17.414 -9.141 1.00 0.00 N ATOM 156 CA MET A 11 -1.796 -17.853 -10.200 1.00 0.00 C ATOM 157 C MET A 11 -1.024 -18.513 -11.341 1.00 0.00 C ATOM 158 O MET A 11 0.151 -18.215 -11.557 1.00 0.00 O ATOM 159 CB MET A 11 -2.627 -16.665 -10.710 1.00 0.00 C ATOM 160 CG MET A 11 -1.722 -15.449 -10.983 1.00 0.00 C ATOM 161 SD MET A 11 -2.545 -13.922 -10.453 1.00 0.00 S ATOM 162 CE MET A 11 -4.113 -14.199 -11.309 1.00 0.00 C ATOM 0 H MET A 11 -0.155 -16.768 -9.459 1.00 0.00 H new ATOM 0 HA MET A 11 -2.480 -18.594 -9.785 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.152 -16.947 -11.623 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.386 -16.402 -9.973 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.777 -15.564 -10.453 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.486 -15.393 -12.046 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.554 -13.240 -11.580 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.937 -14.785 -12.211 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.795 -14.740 -10.653 1.00 0.00 H new ATOM 172 N THR A 12 -1.700 -19.354 -12.103 1.00 0.00 N ATOM 173 CA THR A 12 -1.071 -19.991 -13.258 1.00 0.00 C ATOM 174 C THR A 12 -0.917 -18.981 -14.398 1.00 0.00 C ATOM 175 O THR A 12 -1.578 -17.943 -14.410 1.00 0.00 O ATOM 176 CB THR A 12 -1.938 -21.145 -13.733 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.192 -20.638 -14.168 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.148 -22.116 -12.578 1.00 0.00 C ATOM 0 H THR A 12 -2.675 -19.613 -11.950 1.00 0.00 H new ATOM 0 HA THR A 12 -0.087 -20.358 -12.966 1.00 0.00 H new ATOM 0 HB THR A 12 -1.452 -21.663 -14.560 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.755 -21.378 -14.477 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.769 -22.948 -12.910 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.183 -22.496 -12.242 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.642 -21.600 -11.754 1.00 0.00 H new ATOM 186 N HIS A 13 -0.049 -19.296 -15.358 1.00 0.00 N ATOM 187 CA HIS A 13 0.171 -18.410 -16.504 1.00 0.00 C ATOM 188 C HIS A 13 -1.086 -18.321 -17.363 1.00 0.00 C ATOM 189 O HIS A 13 -1.434 -17.237 -17.830 1.00 0.00 O ATOM 190 CB HIS A 13 1.352 -18.899 -17.345 1.00 0.00 C ATOM 191 CG HIS A 13 2.630 -18.697 -16.577 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.216 -17.450 -16.432 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.444 -19.575 -15.906 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.332 -17.611 -15.700 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.518 -18.888 -15.352 1.00 0.00 N ATOM 0 H HIS A 13 0.510 -20.149 -15.368 1.00 0.00 H new ATOM 0 HA HIS A 13 0.404 -17.415 -16.124 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.226 -19.953 -17.591 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.391 -18.354 -18.288 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.276 -20.638 -15.821 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.998 -16.806 -15.426 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.283 -19.275 -14.799 1.00 0.00 H new ATOM 203 N LYS A 14 -1.759 -19.440 -17.587 1.00 0.00 N ATOM 204 CA LYS A 14 -2.965 -19.439 -18.409 1.00 0.00 C ATOM 205 C LYS A 14 -4.030 -18.550 -17.787 1.00 0.00 C ATOM 206 O LYS A 14 -4.694 -17.786 -18.486 1.00 0.00 O ATOM 207 CB LYS A 14 -3.442 -20.884 -18.581 1.00 0.00 C ATOM 208 CG LYS A 14 -4.826 -20.916 -19.240 1.00 0.00 C ATOM 209 CD LYS A 14 -5.263 -22.363 -19.468 1.00 0.00 C ATOM 210 CE LYS A 14 -6.636 -22.360 -20.135 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.069 -23.757 -20.405 1.00 0.00 N ATOM 0 H LYS A 14 -1.496 -20.353 -17.216 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.752 -19.027 -19.395 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.729 -21.439 -19.191 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.483 -21.378 -17.610 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.551 -20.404 -18.607 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.798 -20.382 -20.190 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.539 -22.882 -20.096 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.305 -22.899 -18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.362 -21.863 -19.492 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.596 -21.795 -21.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.005 -23.749 -20.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.382 -24.218 -21.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.124 -24.283 -19.509 1.00 0.00 H new ATOM 225 N GLU A 15 -4.197 -18.652 -16.485 1.00 0.00 N ATOM 226 CA GLU A 15 -5.195 -17.844 -15.814 1.00 0.00 C ATOM 227 C GLU A 15 -4.812 -16.378 -15.861 1.00 0.00 C ATOM 228 O GLU A 15 -5.634 -15.515 -16.163 1.00 0.00 O ATOM 229 CB GLU A 15 -5.328 -18.305 -14.366 1.00 0.00 C ATOM 230 CG GLU A 15 -6.119 -19.609 -14.330 1.00 0.00 C ATOM 231 CD GLU A 15 -6.092 -20.200 -12.928 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.476 -19.597 -12.065 1.00 0.00 O ATOM 233 OE2 GLU A 15 -6.685 -21.249 -12.736 1.00 0.00 O ATOM 0 H GLU A 15 -3.665 -19.275 -15.878 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.151 -17.964 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.342 -18.451 -13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.833 -17.542 -13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.149 -19.427 -14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.696 -20.319 -15.040 1.00 0.00 H new ATOM 240 N PHE A 16 -3.555 -16.112 -15.557 1.00 0.00 N ATOM 241 CA PHE A 16 -3.064 -14.749 -15.559 1.00 0.00 C ATOM 242 C PHE A 16 -3.204 -14.106 -16.928 1.00 0.00 C ATOM 243 O PHE A 16 -3.688 -12.985 -17.034 1.00 0.00 O ATOM 244 CB PHE A 16 -1.590 -14.701 -15.164 1.00 0.00 C ATOM 245 CG PHE A 16 -1.168 -13.259 -14.972 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.404 -12.612 -13.750 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.536 -12.570 -16.015 1.00 0.00 C ATOM 248 CE1 PHE A 16 -1.006 -11.279 -13.575 1.00 0.00 C ATOM 249 CE2 PHE A 16 -0.141 -11.236 -15.839 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.375 -10.591 -14.619 1.00 0.00 C ATOM 0 H PHE A 16 -2.861 -16.817 -15.308 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.667 -14.200 -14.835 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.430 -15.264 -14.244 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.980 -15.171 -15.936 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.892 -13.140 -12.944 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.353 -13.067 -16.956 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.186 -10.782 -12.633 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.344 -10.706 -16.645 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.069 -9.564 -14.483 1.00 0.00 H new ATOM 260 N ASN A 17 -2.825 -14.822 -17.986 1.00 0.00 N ATOM 261 CA ASN A 17 -2.956 -14.313 -19.340 1.00 0.00 C ATOM 262 C ASN A 17 -4.424 -14.090 -19.693 1.00 0.00 C ATOM 263 O ASN A 17 -4.758 -13.101 -20.342 1.00 0.00 O ATOM 264 CB ASN A 17 -2.322 -15.292 -20.325 1.00 0.00 C ATOM 265 CG ASN A 17 -0.803 -15.212 -20.225 1.00 0.00 C ATOM 266 OD1 ASN A 17 -0.267 -14.257 -19.666 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.073 -16.164 -20.740 1.00 0.00 N ATOM 0 H ASN A 17 -2.424 -15.758 -17.925 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.439 -13.355 -19.403 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.657 -16.307 -20.110 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.642 -15.059 -21.341 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.944 -16.116 -20.679 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.520 -16.955 -21.203 1.00 0.00 H new ATOM 274 N TYR A 18 -5.300 -15.024 -19.305 1.00 0.00 N ATOM 275 CA TYR A 18 -6.720 -14.948 -19.625 1.00 0.00 C ATOM 276 C TYR A 18 -7.372 -13.716 -19.024 1.00 0.00 C ATOM 277 O TYR A 18 -8.005 -12.909 -19.705 1.00 0.00 O ATOM 278 CB TYR A 18 -7.429 -16.217 -19.122 1.00 0.00 C ATOM 279 CG TYR A 18 -8.926 -16.051 -19.254 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.641 -15.410 -18.238 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.596 -16.524 -20.389 1.00 0.00 C ATOM 282 CE1 TYR A 18 -11.021 -15.237 -18.351 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.982 -16.354 -20.503 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.694 -15.710 -19.484 1.00 0.00 C ATOM 285 OH TYR A 18 -13.057 -15.537 -19.598 1.00 0.00 O ATOM 0 H TYR A 18 -5.041 -15.848 -18.763 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.816 -14.873 -20.708 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.097 -17.082 -19.696 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.165 -16.405 -18.081 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.123 -15.047 -17.362 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.045 -17.019 -21.175 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.569 -14.739 -17.565 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.501 -16.720 -21.377 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.366 -15.922 -20.445 1.00 0.00 H new ATOM 295 N LYS A 19 -7.212 -13.612 -17.712 1.00 0.00 N ATOM 296 CA LYS A 19 -7.783 -12.522 -16.954 1.00 0.00 C ATOM 297 C LYS A 19 -7.187 -11.193 -17.396 1.00 0.00 C ATOM 298 O LYS A 19 -7.869 -10.176 -17.461 1.00 0.00 O ATOM 299 CB LYS A 19 -7.560 -12.746 -15.464 1.00 0.00 C ATOM 300 CG LYS A 19 -8.264 -14.041 -15.021 1.00 0.00 C ATOM 301 CD LYS A 19 -8.137 -14.190 -13.508 1.00 0.00 C ATOM 302 CE LYS A 19 -8.854 -15.456 -13.037 1.00 0.00 C ATOM 303 NZ LYS A 19 -8.702 -15.587 -11.558 1.00 0.00 N ATOM 0 H LYS A 19 -6.684 -14.281 -17.151 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.856 -12.490 -17.142 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.493 -12.811 -15.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.947 -11.899 -14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.315 -14.014 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.818 -14.901 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.085 -14.234 -13.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.563 -13.317 -13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.910 -15.410 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.437 -16.331 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.188 -16.447 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.692 -15.649 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.119 -14.757 -11.091 1.00 0.00 H new ATOM 317 N SER A 20 -5.890 -11.214 -17.684 1.00 0.00 N ATOM 318 CA SER A 20 -5.202 -10.008 -18.111 1.00 0.00 C ATOM 319 C SER A 20 -5.820 -9.441 -19.386 1.00 0.00 C ATOM 320 O SER A 20 -6.071 -8.244 -19.512 1.00 0.00 O ATOM 321 CB SER A 20 -3.704 -10.259 -18.285 1.00 0.00 C ATOM 322 OG SER A 20 -3.067 -9.050 -18.675 1.00 0.00 O ATOM 0 H SER A 20 -5.302 -12.045 -17.629 1.00 0.00 H new ATOM 0 HA SER A 20 -5.323 -9.262 -17.326 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.274 -10.625 -17.353 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.538 -11.030 -19.037 1.00 0.00 H new ATOM 0 HG SER A 20 -2.106 -9.208 -18.786 1.00 0.00 H new ATOM 328 N ASN A 21 -6.115 -10.367 -20.297 1.00 0.00 N ATOM 329 CA ASN A 21 -6.772 -10.023 -21.553 1.00 0.00 C ATOM 330 C ASN A 21 -8.153 -9.424 -21.287 1.00 0.00 C ATOM 331 O ASN A 21 -8.578 -8.503 -21.985 1.00 0.00 O ATOM 332 CB ASN A 21 -6.909 -11.259 -22.441 1.00 0.00 C ATOM 333 CG ASN A 21 -7.592 -10.871 -23.749 1.00 0.00 C ATOM 334 OD1 ASN A 21 -7.961 -9.709 -23.930 1.00 0.00 O ATOM 335 ND2 ASN A 21 -7.786 -11.770 -24.674 1.00 0.00 N ATOM 0 H ASN A 21 -5.909 -11.360 -20.187 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.158 -9.284 -22.067 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.927 -11.685 -22.644 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.490 -12.026 -21.928 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.243 -11.512 -25.548 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.480 -12.731 -24.523 1.00 0.00 H new ATOM 342 N VAL A 22 -8.848 -9.931 -20.266 1.00 0.00 N ATOM 343 CA VAL A 22 -10.174 -9.424 -19.917 1.00 0.00 C ATOM 344 C VAL A 22 -10.070 -7.967 -19.488 1.00 0.00 C ATOM 345 O VAL A 22 -10.844 -7.119 -19.937 1.00 0.00 O ATOM 346 CB VAL A 22 -10.776 -10.262 -18.792 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.111 -9.657 -18.347 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.010 -11.684 -19.305 1.00 0.00 C ATOM 0 H VAL A 22 -8.515 -10.689 -19.670 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.824 -9.493 -20.789 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.092 -10.278 -17.943 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.534 -10.261 -17.544 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.949 -8.640 -17.990 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.801 -9.639 -19.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.440 -12.292 -18.509 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.696 -11.657 -20.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.061 -12.118 -19.620 1.00 0.00 H new ATOM 358 N CYS A 23 -9.101 -7.681 -18.615 1.00 0.00 N ATOM 359 CA CYS A 23 -8.896 -6.322 -18.132 1.00 0.00 C ATOM 360 C CYS A 23 -8.388 -5.436 -19.242 1.00 0.00 C ATOM 361 O CYS A 23 -8.813 -4.289 -19.340 1.00 0.00 O ATOM 362 CB CYS A 23 -7.907 -6.284 -16.960 1.00 0.00 C ATOM 363 SG CYS A 23 -8.730 -6.751 -15.411 1.00 0.00 S ATOM 0 H CYS A 23 -8.453 -8.370 -18.233 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.861 -5.954 -17.784 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.077 -6.963 -17.156 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.485 -5.283 -16.866 1.00 0.00 H new ATOM 368 N ASN A 24 -7.492 -5.911 -20.083 1.00 0.00 N ATOM 369 CA ASN A 24 -6.974 -5.109 -21.157 1.00 0.00 C ATOM 370 C ASN A 24 -8.087 -4.741 -22.103 1.00 0.00 C ATOM 371 O ASN A 24 -8.043 -3.671 -22.704 1.00 0.00 O ATOM 372 CB ASN A 24 -5.862 -5.847 -21.887 1.00 0.00 C ATOM 373 CG ASN A 24 -4.648 -5.954 -20.978 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.508 -5.181 -20.031 1.00 0.00 O ATOM 375 ND2 ASN A 24 -3.761 -6.879 -21.205 1.00 0.00 N ATOM 0 H ASN A 24 -7.109 -6.855 -20.037 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.552 -4.193 -20.744 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.201 -6.841 -22.179 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.599 -5.318 -22.803 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.947 -6.965 -20.597 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.880 -7.518 -21.991 1.00 0.00 H new ATOM 382 N GLY A 25 -9.107 -5.582 -22.232 1.00 0.00 N ATOM 383 CA GLY A 25 -10.206 -5.242 -23.112 1.00 0.00 C ATOM 384 C GLY A 25 -11.218 -4.342 -22.418 1.00 0.00 C ATOM 385 O GLY A 25 -12.319 -4.144 -22.937 1.00 0.00 O ATOM 0 H GLY A 25 -9.192 -6.478 -21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.821 -4.741 -24.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.699 -6.154 -23.449 1.00 0.00 H new ATOM 389 N CYS A 26 -10.909 -3.840 -21.203 1.00 0.00 N ATOM 390 CA CYS A 26 -11.888 -3.031 -20.464 1.00 0.00 C ATOM 391 C CYS A 26 -11.721 -1.536 -20.665 1.00 0.00 C ATOM 392 O CYS A 26 -11.682 -0.748 -19.723 1.00 0.00 O ATOM 393 CB CYS A 26 -11.910 -3.333 -18.960 1.00 0.00 C ATOM 394 SG CYS A 26 -13.499 -2.716 -18.334 1.00 0.00 S ATOM 0 H CYS A 26 -10.016 -3.977 -20.729 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.843 -3.329 -20.896 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.810 -4.403 -18.778 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.077 -2.844 -18.454 1.00 0.00 H new ATOM 399 N GLY A 27 -11.648 -1.199 -21.936 1.00 0.00 N ATOM 400 CA GLY A 27 -11.503 0.178 -22.377 1.00 0.00 C ATOM 401 C GLY A 27 -10.439 0.987 -21.617 1.00 0.00 C ATOM 402 O GLY A 27 -9.257 0.647 -21.663 1.00 0.00 O ATOM 0 H GLY A 27 -11.688 -1.875 -22.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.253 0.181 -23.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.464 0.681 -22.275 1.00 0.00 H new ATOM 406 N ASP A 28 -10.856 2.065 -20.932 1.00 0.00 N ATOM 407 CA ASP A 28 -9.903 2.913 -20.168 1.00 0.00 C ATOM 408 C ASP A 28 -9.881 2.504 -18.687 1.00 0.00 C ATOM 409 O ASP A 28 -9.314 3.217 -17.865 1.00 0.00 O ATOM 410 CB ASP A 28 -10.295 4.378 -20.301 1.00 0.00 C ATOM 411 CG ASP A 28 -10.090 4.825 -21.742 1.00 0.00 C ATOM 412 OD1 ASP A 28 -9.384 4.130 -22.456 1.00 0.00 O ATOM 413 OD2 ASP A 28 -10.645 5.844 -22.114 1.00 0.00 O ATOM 0 H ASP A 28 -11.827 2.373 -20.886 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.903 2.771 -20.578 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.336 4.516 -20.010 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.693 4.990 -19.629 1.00 0.00 H new ATOM 418 N GLN A 29 -10.464 1.366 -18.358 1.00 0.00 N ATOM 419 CA GLN A 29 -10.475 0.890 -16.966 1.00 0.00 C ATOM 420 C GLN A 29 -9.404 -0.161 -16.772 1.00 0.00 C ATOM 421 O GLN A 29 -9.375 -0.852 -15.758 1.00 0.00 O ATOM 422 CB GLN A 29 -11.839 0.299 -16.598 1.00 0.00 C ATOM 423 CG GLN A 29 -12.947 1.308 -16.890 1.00 0.00 C ATOM 424 CD GLN A 29 -13.256 1.331 -18.382 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.674 2.120 -19.127 1.00 0.00 O ATOM 426 NE2 GLN A 29 -14.142 0.505 -18.868 1.00 0.00 N ATOM 0 H GLN A 29 -10.935 0.751 -19.021 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.278 1.742 -16.316 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.012 -0.616 -17.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.853 0.028 -15.542 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.844 1.047 -16.329 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.642 2.301 -16.559 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.623 -0.148 -18.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.353 0.513 -19.866 1.00 0.00 H new ATOM 435 N VAL A 30 -8.529 -0.277 -17.763 1.00 0.00 N ATOM 436 CA VAL A 30 -7.460 -1.251 -17.711 1.00 0.00 C ATOM 437 C VAL A 30 -6.761 -1.274 -16.367 1.00 0.00 C ATOM 438 O VAL A 30 -6.582 -2.342 -15.783 1.00 0.00 O ATOM 439 CB VAL A 30 -6.412 -0.968 -18.812 1.00 0.00 C ATOM 440 CG1 VAL A 30 -6.770 -1.654 -20.143 1.00 0.00 C ATOM 441 CG2 VAL A 30 -6.331 0.543 -19.036 1.00 0.00 C ATOM 0 H VAL A 30 -8.543 0.293 -18.609 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.924 -2.224 -17.872 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.455 -1.369 -18.478 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.006 -1.427 -20.886 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.822 -2.732 -19.994 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.736 -1.289 -20.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.595 0.757 -19.811 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.306 0.917 -19.348 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.034 1.033 -18.109 1.00 0.00 H new ATOM 451 N ALA A 31 -6.276 -0.118 -15.889 1.00 0.00 N ATOM 452 CA ALA A 31 -5.531 -0.088 -14.651 1.00 0.00 C ATOM 453 C ALA A 31 -6.387 -0.437 -13.450 1.00 0.00 C ATOM 454 O ALA A 31 -5.954 -1.160 -12.555 1.00 0.00 O ATOM 455 CB ALA A 31 -4.768 1.230 -14.461 1.00 0.00 C ATOM 0 H ALA A 31 -6.391 0.788 -16.343 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.778 -0.873 -14.728 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.224 1.203 -13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.063 1.364 -15.282 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.474 2.061 -14.450 1.00 0.00 H new ATOM 461 N ALA A 32 -7.628 0.065 -13.436 1.00 0.00 N ATOM 462 CA ALA A 32 -8.554 -0.208 -12.352 1.00 0.00 C ATOM 463 C ALA A 32 -8.879 -1.692 -12.334 1.00 0.00 C ATOM 464 O ALA A 32 -9.006 -2.327 -11.285 1.00 0.00 O ATOM 465 CB ALA A 32 -9.868 0.551 -12.589 1.00 0.00 C ATOM 0 H ALA A 32 -8.006 0.664 -14.170 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.098 0.103 -11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.560 0.343 -11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.667 1.622 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.310 0.227 -13.531 1.00 0.00 H new ATOM 471 N CYS A 33 -9.023 -2.206 -13.539 1.00 0.00 N ATOM 472 CA CYS A 33 -9.345 -3.603 -13.709 1.00 0.00 C ATOM 473 C CYS A 33 -8.186 -4.493 -13.265 1.00 0.00 C ATOM 474 O CYS A 33 -8.383 -5.590 -12.736 1.00 0.00 O ATOM 475 CB CYS A 33 -9.706 -3.891 -15.163 1.00 0.00 C ATOM 476 SG CYS A 33 -10.361 -5.571 -15.301 1.00 0.00 S ATOM 0 H CYS A 33 -8.923 -1.680 -14.407 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.206 -3.830 -13.080 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.445 -3.171 -15.515 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.826 -3.779 -15.796 1.00 0.00 H new ATOM 481 N GLU A 34 -6.954 -3.999 -13.496 1.00 0.00 N ATOM 482 CA GLU A 34 -5.741 -4.728 -13.146 1.00 0.00 C ATOM 483 C GLU A 34 -5.373 -4.566 -11.669 1.00 0.00 C ATOM 484 O GLU A 34 -4.528 -5.310 -11.164 1.00 0.00 O ATOM 485 CB GLU A 34 -4.583 -4.244 -14.033 1.00 0.00 C ATOM 486 CG GLU A 34 -4.680 -4.841 -15.443 1.00 0.00 C ATOM 487 CD GLU A 34 -3.450 -4.459 -16.255 1.00 0.00 C ATOM 488 OE1 GLU A 34 -3.414 -4.784 -17.427 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.561 -3.848 -15.684 1.00 0.00 O ATOM 0 H GLU A 34 -6.783 -3.091 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.927 -5.788 -13.316 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.598 -3.156 -14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.632 -4.525 -13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.764 -5.926 -15.383 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.580 -4.479 -15.939 1.00 0.00 H new ATOM 496 N ALA A 35 -5.932 -3.568 -10.988 1.00 0.00 N ATOM 497 CA ALA A 35 -5.608 -3.235 -9.600 1.00 0.00 C ATOM 498 C ALA A 35 -5.584 -4.422 -8.668 1.00 0.00 C ATOM 499 O ALA A 35 -4.622 -4.629 -7.929 1.00 0.00 O ATOM 500 CB ALA A 35 -6.711 -2.314 -9.062 1.00 0.00 C ATOM 0 H ALA A 35 -6.638 -2.954 -11.393 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.613 -2.790 -9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.493 -2.051 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.755 -1.407 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.671 -2.829 -9.111 1.00 0.00 H new ATOM 506 N GLU A 36 -6.684 -5.137 -8.652 1.00 0.00 N ATOM 507 CA GLU A 36 -6.813 -6.264 -7.731 1.00 0.00 C ATOM 508 C GLU A 36 -6.622 -7.598 -8.420 1.00 0.00 C ATOM 509 O GLU A 36 -7.343 -8.548 -8.144 1.00 0.00 O ATOM 510 CB GLU A 36 -8.173 -6.217 -7.027 1.00 0.00 C ATOM 511 CG GLU A 36 -8.271 -4.961 -6.151 1.00 0.00 C ATOM 512 CD GLU A 36 -7.279 -5.040 -4.993 1.00 0.00 C ATOM 513 OE1 GLU A 36 -6.863 -6.142 -4.671 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.951 -4.002 -4.446 1.00 0.00 O ATOM 0 H GLU A 36 -7.494 -4.971 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.018 -6.170 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.974 -6.217 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.305 -7.109 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.068 -4.074 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.285 -4.859 -5.763 1.00 0.00 H new ATOM 521 N CYS A 37 -5.649 -7.680 -9.329 1.00 0.00 N ATOM 522 CA CYS A 37 -5.410 -8.925 -10.040 1.00 0.00 C ATOM 523 C CYS A 37 -6.705 -9.377 -10.689 1.00 0.00 C ATOM 524 O CYS A 37 -7.029 -10.567 -10.712 1.00 0.00 O ATOM 525 CB CYS A 37 -4.855 -9.994 -9.086 1.00 0.00 C ATOM 526 SG CYS A 37 -3.302 -10.653 -9.703 1.00 0.00 S ATOM 0 H CYS A 37 -5.027 -6.912 -9.583 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.662 -8.769 -10.817 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.705 -9.562 -8.096 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.579 -10.801 -8.975 1.00 0.00 H new ATOM 531 N PHE A 38 -7.420 -8.426 -11.252 1.00 0.00 N ATOM 532 CA PHE A 38 -8.652 -8.716 -11.938 1.00 0.00 C ATOM 533 C PHE A 38 -9.741 -9.129 -10.949 1.00 0.00 C ATOM 534 O PHE A 38 -10.854 -9.471 -11.349 1.00 0.00 O ATOM 535 CB PHE A 38 -8.420 -9.785 -13.047 1.00 0.00 C ATOM 536 CG PHE A 38 -6.933 -9.860 -13.405 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.263 -8.717 -13.823 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.221 -11.075 -13.297 1.00 0.00 C ATOM 539 CE1 PHE A 38 -4.897 -8.772 -14.137 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.854 -11.128 -13.617 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.198 -9.973 -14.039 1.00 0.00 C ATOM 0 H PHE A 38 -7.163 -7.439 -11.245 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.002 -7.810 -12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.768 -10.759 -12.703 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.003 -9.533 -13.933 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.796 -7.782 -13.907 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.730 -11.968 -12.967 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.384 -7.877 -14.457 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.314 -12.060 -13.536 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.148 -10.009 -14.290 1.00 0.00 H new ATOM 551 N ARG A 39 -9.429 -9.065 -9.648 1.00 0.00 N ATOM 552 CA ARG A 39 -10.383 -9.398 -8.592 1.00 0.00 C ATOM 553 C ARG A 39 -11.054 -8.109 -8.114 1.00 0.00 C ATOM 554 O ARG A 39 -10.712 -7.546 -7.072 1.00 0.00 O ATOM 555 CB ARG A 39 -9.654 -10.098 -7.451 1.00 0.00 C ATOM 556 CG ARG A 39 -10.660 -10.773 -6.529 1.00 0.00 C ATOM 557 CD ARG A 39 -9.910 -11.489 -5.408 1.00 0.00 C ATOM 558 NE ARG A 39 -10.848 -12.260 -4.608 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.515 -12.721 -3.412 1.00 0.00 C ATOM 560 NH1 ARG A 39 -11.383 -13.396 -2.713 1.00 0.00 N ATOM 561 NH2 ARG A 39 -9.320 -12.499 -2.937 1.00 0.00 N ATOM 0 H ARG A 39 -8.512 -8.782 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.150 -10.075 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.961 -10.838 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.061 -9.376 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.343 -10.033 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.266 -11.485 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.149 -12.146 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.393 -10.763 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.781 -12.449 -4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.316 -13.568 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.129 -13.752 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.643 -11.971 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.063 -12.854 -2.016 1.00 0.00 H new ATOM 575 N ASN A 40 -12.010 -7.668 -8.902 1.00 0.00 N ATOM 576 CA ASN A 40 -12.733 -6.446 -8.575 1.00 0.00 C ATOM 577 C ASN A 40 -14.037 -6.406 -9.330 1.00 0.00 C ATOM 578 O ASN A 40 -14.290 -7.234 -10.210 1.00 0.00 O ATOM 579 CB ASN A 40 -11.839 -5.251 -8.917 1.00 0.00 C ATOM 580 CG ASN A 40 -11.369 -5.330 -10.363 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.065 -5.869 -11.214 1.00 0.00 O ATOM 582 ND2 ASN A 40 -10.214 -4.819 -10.690 1.00 0.00 N ATOM 0 H ASN A 40 -12.306 -8.126 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.974 -6.411 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.387 -4.322 -8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.978 -5.232 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.890 -4.868 -11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.635 -4.370 -9.980 1.00 0.00 H new ATOM 589 N ASP A 41 -14.887 -5.447 -8.972 1.00 0.00 N ATOM 590 CA ASP A 41 -16.177 -5.334 -9.618 1.00 0.00 C ATOM 591 C ASP A 41 -15.997 -4.869 -11.048 1.00 0.00 C ATOM 592 O ASP A 41 -16.771 -5.281 -11.911 1.00 0.00 O ATOM 593 CB ASP A 41 -17.081 -4.388 -8.809 1.00 0.00 C ATOM 594 CG ASP A 41 -16.216 -3.327 -8.124 1.00 0.00 C ATOM 595 OD1 ASP A 41 -16.590 -2.883 -7.051 1.00 0.00 O ATOM 596 OD2 ASP A 41 -15.186 -2.982 -8.682 1.00 0.00 O ATOM 0 H ASP A 41 -14.704 -4.751 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.665 -6.308 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -17.809 -3.912 -9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -17.643 -4.952 -8.065 1.00 0.00 H new ATOM 601 N VAL A 42 -14.981 -4.069 -11.347 1.00 0.00 N ATOM 602 CA VAL A 42 -14.743 -3.645 -12.712 1.00 0.00 C ATOM 603 C VAL A 42 -14.460 -4.866 -13.576 1.00 0.00 C ATOM 604 O VAL A 42 -15.014 -5.006 -14.659 1.00 0.00 O ATOM 605 CB VAL A 42 -13.572 -2.652 -12.778 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.087 -2.497 -14.220 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.013 -1.289 -12.262 1.00 0.00 C ATOM 0 H VAL A 42 -14.316 -3.705 -10.665 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.631 -3.137 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.762 -3.038 -12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.257 -1.791 -14.251 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.755 -3.464 -14.598 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.903 -2.126 -14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.176 -0.592 -12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.833 -0.916 -12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.346 -1.382 -11.228 1.00 0.00 H new ATOM 617 N TYR A 43 -13.631 -5.778 -13.076 1.00 0.00 N ATOM 618 CA TYR A 43 -13.312 -7.004 -13.791 1.00 0.00 C ATOM 619 C TYR A 43 -14.595 -7.740 -14.115 1.00 0.00 C ATOM 620 O TYR A 43 -14.796 -8.175 -15.243 1.00 0.00 O ATOM 621 CB TYR A 43 -12.409 -7.897 -12.920 1.00 0.00 C ATOM 622 CG TYR A 43 -12.346 -9.302 -13.493 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.524 -9.586 -14.589 1.00 0.00 C ATOM 624 CD2 TYR A 43 -13.123 -10.320 -12.919 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.483 -10.887 -15.112 1.00 0.00 C ATOM 626 CE2 TYR A 43 -13.079 -11.617 -13.443 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.260 -11.900 -14.539 1.00 0.00 C ATOM 628 OH TYR A 43 -12.220 -13.177 -15.058 1.00 0.00 O ATOM 0 H TYR A 43 -13.167 -5.687 -12.172 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.786 -6.760 -14.714 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.406 -7.472 -12.869 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.793 -7.930 -11.900 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -10.923 -8.806 -15.031 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.756 -10.102 -12.071 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.850 -11.107 -15.959 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.678 -12.399 -13.000 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.818 -13.758 -14.543 1.00 0.00 H new ATOM 638 N THR A 44 -15.457 -7.912 -13.124 1.00 0.00 N ATOM 639 CA THR A 44 -16.688 -8.633 -13.363 1.00 0.00 C ATOM 640 C THR A 44 -17.510 -7.962 -14.474 1.00 0.00 C ATOM 641 O THR A 44 -17.917 -8.615 -15.428 1.00 0.00 O ATOM 642 CB THR A 44 -17.487 -8.766 -12.069 1.00 0.00 C ATOM 643 OG1 THR A 44 -16.767 -9.596 -11.165 1.00 0.00 O ATOM 644 CG2 THR A 44 -18.842 -9.386 -12.375 1.00 0.00 C ATOM 0 H THR A 44 -15.329 -7.570 -12.172 1.00 0.00 H new ATOM 0 HA THR A 44 -16.442 -9.638 -13.706 1.00 0.00 H new ATOM 0 HB THR A 44 -17.638 -7.784 -11.620 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.272 -9.686 -10.330 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.415 -9.482 -11.453 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.384 -8.749 -13.074 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.699 -10.372 -12.818 1.00 0.00 H new ATOM 652 N ALA A 45 -17.703 -6.646 -14.341 1.00 0.00 N ATOM 653 CA ALA A 45 -18.433 -5.781 -15.277 1.00 0.00 C ATOM 654 C ALA A 45 -17.836 -5.877 -16.676 1.00 0.00 C ATOM 655 O ALA A 45 -18.548 -5.967 -17.676 1.00 0.00 O ATOM 656 CB ALA A 45 -18.244 -4.401 -14.669 1.00 0.00 C ATOM 0 H ALA A 45 -17.338 -6.129 -13.541 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.483 -6.046 -15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.751 -3.659 -15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.665 -4.385 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.180 -4.167 -14.620 1.00 0.00 H new ATOM 662 N CYS A 46 -16.516 -5.869 -16.729 1.00 0.00 N ATOM 663 CA CYS A 46 -15.841 -5.988 -18.003 1.00 0.00 C ATOM 664 C CYS A 46 -16.054 -7.416 -18.537 1.00 0.00 C ATOM 665 O CYS A 46 -16.276 -7.617 -19.734 1.00 0.00 O ATOM 666 CB CYS A 46 -14.339 -5.645 -17.851 1.00 0.00 C ATOM 667 SG CYS A 46 -14.156 -4.057 -16.990 1.00 0.00 S ATOM 0 H CYS A 46 -15.902 -5.783 -15.919 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.256 -5.280 -18.720 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.831 -6.432 -17.294 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.867 -5.594 -18.832 1.00 0.00 H new ATOM 672 N HIS A 47 -15.981 -8.413 -17.643 1.00 0.00 N ATOM 673 CA HIS A 47 -16.145 -9.812 -18.060 1.00 0.00 C ATOM 674 C HIS A 47 -17.558 -10.099 -18.567 1.00 0.00 C ATOM 675 O HIS A 47 -17.728 -10.767 -19.588 1.00 0.00 O ATOM 676 CB HIS A 47 -15.817 -10.749 -16.892 1.00 0.00 C ATOM 677 CG HIS A 47 -15.770 -12.170 -17.377 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.320 -12.500 -18.641 1.00 0.00 N ATOM 679 CD2 HIS A 47 -16.098 -13.357 -16.771 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.386 -13.838 -18.758 1.00 0.00 C ATOM 681 NE2 HIS A 47 -15.854 -14.410 -17.646 1.00 0.00 N ATOM 0 H HIS A 47 -15.813 -8.281 -16.646 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.454 -9.989 -18.884 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.859 -10.474 -16.451 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.569 -10.647 -16.110 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.486 -13.458 -15.768 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.096 -14.384 -19.644 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.001 -15.405 -17.475 1.00 0.00 H new ATOM 689 N GLU A 48 -18.570 -9.606 -17.861 1.00 0.00 N ATOM 690 CA GLU A 48 -19.958 -9.820 -18.254 1.00 0.00 C ATOM 691 C GLU A 48 -20.301 -9.077 -19.539 1.00 0.00 C ATOM 692 O GLU A 48 -21.193 -9.481 -20.289 1.00 0.00 O ATOM 693 CB GLU A 48 -20.947 -9.419 -17.125 1.00 0.00 C ATOM 694 CG GLU A 48 -20.445 -8.207 -16.313 1.00 0.00 C ATOM 695 CD GLU A 48 -21.526 -7.119 -16.239 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.650 -6.372 -17.196 1.00 0.00 O ATOM 697 OE2 GLU A 48 -22.199 -7.042 -15.224 1.00 0.00 O ATOM 0 H GLU A 48 -18.454 -9.054 -17.011 1.00 0.00 H new ATOM 0 HA GLU A 48 -20.066 -10.889 -18.437 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -21.918 -9.185 -17.561 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.094 -10.267 -16.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -20.172 -8.525 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.545 -7.801 -16.774 1.00 0.00 H new ATOM 704 N ALA A 49 -19.598 -7.963 -19.769 1.00 0.00 N ATOM 705 CA ALA A 49 -19.832 -7.126 -20.931 1.00 0.00 C ATOM 706 C ALA A 49 -19.225 -7.754 -22.166 1.00 0.00 C ATOM 707 O ALA A 49 -19.680 -7.501 -23.285 1.00 0.00 O ATOM 708 CB ALA A 49 -19.228 -5.738 -20.706 1.00 0.00 C ATOM 0 H ALA A 49 -18.857 -7.625 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.908 -7.030 -21.079 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.408 -5.116 -21.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.690 -5.277 -19.833 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.155 -5.831 -20.541 1.00 0.00 H new ATOM 714 N GLN A 50 -18.210 -8.597 -21.973 1.00 0.00 N ATOM 715 CA GLN A 50 -17.579 -9.267 -23.105 1.00 0.00 C ATOM 716 C GLN A 50 -18.265 -10.607 -23.335 1.00 0.00 C ATOM 717 O GLN A 50 -18.675 -11.284 -22.392 1.00 0.00 O ATOM 718 CB GLN A 50 -16.079 -9.442 -22.844 1.00 0.00 C ATOM 719 CG GLN A 50 -15.405 -8.070 -22.787 1.00 0.00 C ATOM 720 CD GLN A 50 -15.425 -7.432 -24.168 1.00 0.00 C ATOM 721 OE1 GLN A 50 -15.022 -8.060 -25.146 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.875 -6.217 -24.309 1.00 0.00 N ATOM 0 H GLN A 50 -17.815 -8.828 -21.061 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.687 -8.662 -24.005 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.922 -9.975 -21.906 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.630 -10.046 -23.632 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.922 -7.430 -22.072 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.378 -8.173 -22.438 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.208 -5.699 -23.496 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.894 -5.784 -25.232 1.00 0.00 H new ATOM 731 N LYS A 51 -18.370 -10.981 -24.610 1.00 0.00 N ATOM 732 CA LYS A 51 -18.990 -12.245 -25.004 1.00 0.00 C ATOM 733 C LYS A 51 -18.208 -12.876 -26.151 1.00 0.00 C ATOM 734 O LYS A 51 -18.661 -12.771 -27.279 1.00 0.00 O ATOM 735 CB LYS A 51 -20.436 -12.015 -25.447 1.00 0.00 C ATOM 736 CG LYS A 51 -21.269 -11.573 -24.246 1.00 0.00 C ATOM 737 CD LYS A 51 -22.712 -11.329 -24.688 1.00 0.00 C ATOM 738 CE LYS A 51 -23.528 -10.827 -23.496 1.00 0.00 C ATOM 739 NZ LYS A 51 -23.658 -11.917 -22.489 1.00 0.00 N ATOM 0 H LYS A 51 -18.031 -10.422 -25.393 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.981 -12.915 -24.144 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.472 -11.256 -26.228 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.848 -12.930 -25.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.240 -12.337 -23.469 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.851 -10.663 -23.815 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.738 -10.597 -25.495 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.146 -12.250 -25.078 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.042 -9.960 -23.048 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.515 -10.504 -23.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.431 -11.691 -21.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.866 -12.814 -22.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.768 -12.008 -21.959 1.00 0.00 H new TER 753 LYS A 51