USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.668 K(o=-0.67,f=-13!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 15:sc= -2.32! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.33! C(o=-2.3!,f=-7.7!) USER MOD Single : A 44 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 133:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 -6.710 -11.610 1.336 1.00 0.00 N ATOM 28 CA PRO A 2 -7.842 -10.702 1.130 1.00 0.00 C ATOM 29 C PRO A 2 -7.862 -10.103 -0.273 1.00 0.00 C ATOM 30 O PRO A 2 -6.844 -9.615 -0.767 1.00 0.00 O ATOM 31 CB PRO A 2 -7.621 -9.596 2.158 1.00 0.00 C ATOM 32 CG PRO A 2 -6.685 -10.155 3.169 1.00 0.00 C ATOM 33 CD PRO A 2 -5.845 -11.176 2.448 1.00 0.00 C ATOM 0 HA PRO A 2 -8.792 -11.225 1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.202 -8.706 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.563 -9.300 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.061 -9.370 3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.231 -10.613 3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.912 -10.745 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.580 -12.009 3.099 1.00 0.00 H new ATOM 41 N ASP A 3 -9.028 -10.138 -0.908 1.00 0.00 N ATOM 42 CA ASP A 3 -9.187 -9.599 -2.253 1.00 0.00 C ATOM 43 C ASP A 3 -8.761 -8.132 -2.324 1.00 0.00 C ATOM 44 O ASP A 3 -8.103 -7.719 -3.278 1.00 0.00 O ATOM 45 CB ASP A 3 -10.640 -9.738 -2.710 1.00 0.00 C ATOM 46 CG ASP A 3 -11.621 -9.189 -1.694 1.00 0.00 C ATOM 47 OD1 ASP A 3 -11.505 -9.543 -0.502 1.00 0.00 O ATOM 48 OD2 ASP A 3 -12.511 -8.405 -2.091 1.00 0.00 O ATOM 0 H ASP A 3 -9.879 -10.535 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.540 -10.172 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.772 -9.215 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.861 -10.789 -2.893 1.00 0.00 H new ATOM 53 N PHE A 4 -9.144 -7.347 -1.318 1.00 0.00 N ATOM 54 CA PHE A 4 -8.810 -5.932 -1.281 1.00 0.00 C ATOM 55 C PHE A 4 -7.321 -5.697 -1.525 1.00 0.00 C ATOM 56 O PHE A 4 -6.930 -4.655 -2.048 1.00 0.00 O ATOM 57 CB PHE A 4 -9.236 -5.330 0.061 1.00 0.00 C ATOM 58 CG PHE A 4 -8.379 -5.739 1.229 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.063 -5.314 1.338 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.897 -6.553 2.221 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.283 -5.696 2.413 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.121 -6.941 3.294 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.814 -6.514 3.393 1.00 0.00 C ATOM 0 H PHE A 4 -9.687 -7.672 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.354 -5.436 -2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.221 -4.243 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.267 -5.620 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.643 -4.677 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.921 -6.889 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.261 -5.356 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.538 -7.580 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.207 -6.817 4.233 1.00 0.00 H new ATOM 73 N CYS A 5 -6.494 -6.669 -1.150 1.00 0.00 N ATOM 74 CA CYS A 5 -5.051 -6.546 -1.339 1.00 0.00 C ATOM 75 C CYS A 5 -4.709 -6.265 -2.804 1.00 0.00 C ATOM 76 O CYS A 5 -3.623 -5.779 -3.112 1.00 0.00 O ATOM 77 CB CYS A 5 -4.334 -7.803 -0.819 1.00 0.00 C ATOM 78 SG CYS A 5 -3.851 -9.016 -2.091 1.00 0.00 S ATOM 0 H CYS A 5 -6.794 -7.543 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.697 -5.694 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.439 -7.492 -0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.984 -8.299 -0.098 1.00 0.00 H new ATOM 83 N LEU A 6 -5.652 -6.550 -3.702 1.00 0.00 N ATOM 84 CA LEU A 6 -5.454 -6.305 -5.128 1.00 0.00 C ATOM 85 C LEU A 6 -5.978 -4.923 -5.518 1.00 0.00 C ATOM 86 O LEU A 6 -6.341 -4.689 -6.671 1.00 0.00 O ATOM 87 CB LEU A 6 -6.166 -7.377 -5.958 1.00 0.00 C ATOM 88 CG LEU A 6 -6.057 -8.802 -5.414 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.244 -9.639 -5.865 1.00 0.00 C ATOM 90 CD2 LEU A 6 -4.748 -9.441 -5.858 1.00 0.00 C ATOM 0 H LEU A 6 -6.560 -6.951 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.384 -6.346 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.221 -7.114 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.760 -7.359 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.066 -8.758 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.148 -10.650 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.167 -9.190 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.269 -9.678 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.686 -10.455 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.710 -9.473 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.910 -8.853 -5.483 1.00 0.00 H new ATOM 102 N GLU A 7 -6.019 -4.011 -4.548 1.00 0.00 N ATOM 103 CA GLU A 7 -6.504 -2.656 -4.784 1.00 0.00 C ATOM 104 C GLU A 7 -5.339 -1.702 -5.062 1.00 0.00 C ATOM 105 O GLU A 7 -4.334 -1.722 -4.355 1.00 0.00 O ATOM 106 CB GLU A 7 -7.305 -2.176 -3.569 1.00 0.00 C ATOM 107 CG GLU A 7 -8.154 -0.948 -3.836 1.00 0.00 C ATOM 108 CD GLU A 7 -8.526 -0.210 -2.563 1.00 0.00 C ATOM 109 OE1 GLU A 7 -7.609 0.125 -1.782 1.00 0.00 O ATOM 110 OE2 GLU A 7 -9.731 0.041 -2.352 1.00 0.00 O ATOM 0 H GLU A 7 -5.721 -4.189 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.151 -2.664 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.952 -2.985 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.614 -1.958 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.612 -0.273 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.063 -1.246 -4.358 1.00 0.00 H new ATOM 117 N PRO A 8 -5.457 -0.847 -6.095 1.00 0.00 N ATOM 118 CA PRO A 8 -4.401 0.108 -6.450 1.00 0.00 C ATOM 119 C PRO A 8 -4.153 1.150 -5.358 1.00 0.00 C ATOM 120 O PRO A 8 -5.068 1.525 -4.625 1.00 0.00 O ATOM 121 CB PRO A 8 -4.925 0.778 -7.724 1.00 0.00 C ATOM 122 CG PRO A 8 -6.399 0.567 -7.696 1.00 0.00 C ATOM 123 CD PRO A 8 -6.622 -0.743 -6.995 1.00 0.00 C ATOM 0 HA PRO A 8 -3.441 -0.391 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.679 1.840 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.480 0.334 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.899 1.380 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.808 0.542 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.561 -0.748 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.663 -1.574 -7.699 1.00 0.00 H new ATOM 131 N PRO A 9 -2.901 1.634 -5.240 1.00 0.00 N ATOM 132 CA PRO A 9 -2.525 2.637 -4.234 1.00 0.00 C ATOM 133 C PRO A 9 -2.970 4.046 -4.627 1.00 0.00 C ATOM 134 O PRO A 9 -3.278 4.304 -5.790 1.00 0.00 O ATOM 135 CB PRO A 9 -0.997 2.544 -4.222 1.00 0.00 C ATOM 136 CG PRO A 9 -0.644 2.149 -5.613 1.00 0.00 C ATOM 137 CD PRO A 9 -1.750 1.239 -6.077 1.00 0.00 C ATOM 0 HA PRO A 9 -2.992 2.452 -3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.542 3.497 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.649 1.807 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.561 3.024 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.319 1.639 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.961 1.374 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.492 0.190 -5.934 1.00 0.00 H new ATOM 145 N TYR A 10 -2.998 4.958 -3.655 1.00 0.00 N ATOM 146 CA TYR A 10 -3.395 6.343 -3.917 1.00 0.00 C ATOM 147 C TYR A 10 -2.599 7.315 -3.048 1.00 0.00 C ATOM 148 O TYR A 10 -2.924 7.531 -1.880 1.00 0.00 O ATOM 149 CB TYR A 10 -4.894 6.542 -3.668 1.00 0.00 C ATOM 150 CG TYR A 10 -5.614 7.278 -4.785 1.00 0.00 C ATOM 151 CD1 TYR A 10 -4.931 8.127 -5.648 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.977 7.109 -4.979 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.586 8.782 -6.672 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.640 7.763 -5.999 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.940 8.597 -6.843 1.00 0.00 C ATOM 156 OH TYR A 10 -7.596 9.248 -7.862 1.00 0.00 O ATOM 0 H TYR A 10 -2.752 4.765 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.181 6.550 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.361 5.567 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.027 7.095 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.870 8.277 -5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.529 6.455 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.039 9.436 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.702 7.621 -6.134 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.546 9.008 -7.845 1.00 0.00 H new ATOM 166 N THR A 11 -1.566 7.909 -3.632 1.00 0.00 N ATOM 167 CA THR A 11 -0.719 8.866 -2.925 1.00 0.00 C ATOM 168 C THR A 11 -1.445 10.197 -2.706 1.00 0.00 C ATOM 169 O THR A 11 -0.981 11.046 -1.946 1.00 0.00 O ATOM 170 CB THR A 11 0.566 9.099 -3.725 1.00 0.00 C ATOM 171 OG1 THR A 11 1.418 7.972 -3.645 1.00 0.00 O ATOM 172 CG2 THR A 11 1.360 10.306 -3.269 1.00 0.00 C ATOM 0 H THR A 11 -1.292 7.744 -4.601 1.00 0.00 H new ATOM 0 HA THR A 11 -0.476 8.452 -1.947 1.00 0.00 H new ATOM 0 HB THR A 11 0.232 9.275 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.232 8.140 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.255 10.405 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.749 11.203 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.648 10.179 -2.225 1.00 0.00 H new ATOM 180 N GLY A 12 -2.579 10.379 -3.379 1.00 0.00 N ATOM 181 CA GLY A 12 -3.336 11.597 -3.245 1.00 0.00 C ATOM 182 C GLY A 12 -2.524 12.834 -3.599 1.00 0.00 C ATOM 183 O GLY A 12 -1.306 12.753 -3.751 1.00 0.00 O ATOM 0 H GLY A 12 -2.983 9.694 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.214 11.547 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.697 11.685 -2.220 1.00 0.00 H new ATOM 187 N PRO A 13 -3.179 13.998 -3.767 1.00 0.00 N ATOM 188 CA PRO A 13 -2.501 15.241 -4.131 1.00 0.00 C ATOM 189 C PRO A 13 -2.002 16.041 -2.927 1.00 0.00 C ATOM 190 O PRO A 13 -1.661 17.217 -3.057 1.00 0.00 O ATOM 191 CB PRO A 13 -3.598 16.005 -4.863 1.00 0.00 C ATOM 192 CG PRO A 13 -4.866 15.584 -4.192 1.00 0.00 C ATOM 193 CD PRO A 13 -4.637 14.193 -3.644 1.00 0.00 C ATOM 0 HA PRO A 13 -1.600 15.058 -4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.449 17.082 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.611 15.759 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.126 16.276 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.696 15.588 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.965 14.113 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.189 13.444 -4.212 1.00 0.00 H new ATOM 201 N CYS A 14 -1.955 15.405 -1.761 1.00 0.00 N ATOM 202 CA CYS A 14 -1.493 16.073 -0.548 1.00 0.00 C ATOM 203 C CYS A 14 -0.014 16.421 -0.634 1.00 0.00 C ATOM 204 O CYS A 14 0.651 16.141 -1.633 1.00 0.00 O ATOM 205 CB CYS A 14 -1.760 15.199 0.675 1.00 0.00 C ATOM 206 SG CYS A 14 -3.370 15.520 1.463 1.00 0.00 S ATOM 0 H CYS A 14 -2.230 14.432 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.051 17.004 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.712 14.151 0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.968 15.361 1.406 1.00 0.00 H new ATOM 211 N ARG A 15 0.480 17.063 0.413 1.00 0.00 N ATOM 212 CA ARG A 15 1.877 17.491 0.473 1.00 0.00 C ATOM 213 C ARG A 15 2.652 16.751 1.565 1.00 0.00 C ATOM 214 O ARG A 15 3.513 17.332 2.227 1.00 0.00 O ATOM 215 CB ARG A 15 1.946 19.002 0.715 1.00 0.00 C ATOM 216 CG ARG A 15 2.140 19.816 -0.553 1.00 0.00 C ATOM 217 CD ARG A 15 0.808 20.189 -1.187 1.00 0.00 C ATOM 218 NE ARG A 15 0.194 21.346 -0.535 1.00 0.00 N ATOM 219 CZ ARG A 15 -0.748 21.263 0.404 1.00 0.00 C ATOM 220 NH1 ARG A 15 -1.184 20.080 0.823 1.00 0.00 N ATOM 221 NH2 ARG A 15 -1.253 22.370 0.932 1.00 0.00 N ATOM 0 H ARG A 15 -0.067 17.302 1.240 1.00 0.00 H new ATOM 0 HA ARG A 15 2.342 17.249 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.028 19.325 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.766 19.214 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.701 20.722 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.736 19.245 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.958 20.407 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.129 19.338 -1.130 1.00 0.00 H new ATOM 0 HE ARG A 15 0.507 22.275 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.797 19.224 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.905 20.028 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.920 23.282 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.974 22.309 1.651 1.00 0.00 H new ATOM 235 N VAL A 16 2.352 15.469 1.747 1.00 0.00 N ATOM 236 CA VAL A 16 3.032 14.660 2.757 1.00 0.00 C ATOM 237 C VAL A 16 4.013 13.677 2.104 1.00 0.00 C ATOM 238 O VAL A 16 4.163 13.656 0.884 1.00 0.00 O ATOM 239 CB VAL A 16 2.025 13.873 3.632 1.00 0.00 C ATOM 240 CG1 VAL A 16 2.630 13.557 4.992 1.00 0.00 C ATOM 241 CG2 VAL A 16 0.719 14.644 3.799 1.00 0.00 C ATOM 0 H VAL A 16 1.644 14.967 1.210 1.00 0.00 H new ATOM 0 HA VAL A 16 3.584 15.350 3.396 1.00 0.00 H new ATOM 0 HB VAL A 16 1.802 12.936 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.907 13.004 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.528 12.954 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.888 14.486 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.032 14.067 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.921 15.602 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.270 14.815 2.821 1.00 0.00 H new ATOM 251 N ARG A 17 4.691 12.881 2.932 1.00 0.00 N ATOM 252 CA ARG A 17 5.666 11.901 2.451 1.00 0.00 C ATOM 253 C ARG A 17 5.609 10.637 3.309 1.00 0.00 C ATOM 254 O ARG A 17 6.211 10.581 4.382 1.00 0.00 O ATOM 255 CB ARG A 17 7.079 12.490 2.494 1.00 0.00 C ATOM 256 CG ARG A 17 7.445 13.305 1.263 1.00 0.00 C ATOM 257 CD ARG A 17 8.856 12.993 0.785 1.00 0.00 C ATOM 258 NE ARG A 17 9.807 12.916 1.893 1.00 0.00 N ATOM 259 CZ ARG A 17 10.954 12.243 1.844 1.00 0.00 C ATOM 260 NH1 ARG A 17 11.306 11.592 0.742 1.00 0.00 N ATOM 261 NH2 ARG A 17 11.755 12.221 2.901 1.00 0.00 N ATOM 0 H ARG A 17 4.582 12.896 3.946 1.00 0.00 H new ATOM 0 HA ARG A 17 5.420 11.646 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.172 13.122 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.797 11.678 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.735 13.096 0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.364 14.368 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.854 12.047 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.179 13.762 0.083 1.00 0.00 H new ATOM 0 HE ARG A 17 9.577 13.408 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.696 11.605 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.187 11.078 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.492 12.720 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.634 11.705 2.864 1.00 0.00 H new ATOM 275 N ILE A 18 4.878 9.629 2.836 1.00 0.00 N ATOM 276 CA ILE A 18 4.733 8.375 3.568 1.00 0.00 C ATOM 277 C ILE A 18 5.044 7.181 2.668 1.00 0.00 C ATOM 278 O ILE A 18 4.359 6.947 1.678 1.00 0.00 O ATOM 279 CB ILE A 18 3.293 8.238 4.128 1.00 0.00 C ATOM 280 CG1 ILE A 18 3.032 9.298 5.203 1.00 0.00 C ATOM 281 CG2 ILE A 18 3.038 6.848 4.692 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.648 9.212 5.813 1.00 0.00 C ATOM 0 H ILE A 18 4.377 9.658 1.948 1.00 0.00 H new ATOM 0 HA ILE A 18 5.442 8.387 4.396 1.00 0.00 H new ATOM 0 HB ILE A 18 2.604 8.394 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.776 9.194 5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.167 10.288 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.019 6.792 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.172 6.106 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.741 6.649 5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.533 9.992 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.898 9.346 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.516 8.236 6.279 1.00 0.00 H new ATOM 294 N ILE A 19 6.074 6.423 3.020 1.00 0.00 N ATOM 295 CA ILE A 19 6.445 5.251 2.245 1.00 0.00 C ATOM 296 C ILE A 19 5.576 4.066 2.649 1.00 0.00 C ATOM 297 O ILE A 19 5.956 3.264 3.503 1.00 0.00 O ATOM 298 CB ILE A 19 7.935 4.897 2.441 1.00 0.00 C ATOM 299 CG1 ILE A 19 8.823 6.042 1.955 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.283 3.607 1.708 1.00 0.00 C ATOM 301 CD1 ILE A 19 9.127 7.067 3.026 1.00 0.00 C ATOM 0 H ILE A 19 6.664 6.599 3.833 1.00 0.00 H new ATOM 0 HA ILE A 19 6.286 5.479 1.191 1.00 0.00 H new ATOM 0 HB ILE A 19 8.114 4.745 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.760 5.630 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.335 6.539 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.337 3.376 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.673 2.792 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.088 3.730 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.761 7.850 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.196 7.506 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.643 6.584 3.856 1.00 0.00 H new ATOM 313 N ARG A 20 4.401 3.974 2.037 1.00 0.00 N ATOM 314 CA ARG A 20 3.464 2.899 2.340 1.00 0.00 C ATOM 315 C ARG A 20 3.766 1.660 1.508 1.00 0.00 C ATOM 316 O ARG A 20 4.629 1.689 0.633 1.00 0.00 O ATOM 317 CB ARG A 20 2.026 3.362 2.096 1.00 0.00 C ATOM 318 CG ARG A 20 1.593 4.507 2.999 1.00 0.00 C ATOM 319 CD ARG A 20 1.503 4.066 4.452 1.00 0.00 C ATOM 320 NE ARG A 20 0.269 3.341 4.728 1.00 0.00 N ATOM 321 CZ ARG A 20 -0.833 3.902 5.227 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.871 5.204 5.482 1.00 0.00 N ATOM 323 NH2 ARG A 20 -1.905 3.157 5.460 1.00 0.00 N ATOM 0 H ARG A 20 4.075 4.631 1.328 1.00 0.00 H new ATOM 0 HA ARG A 20 3.578 2.638 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.925 3.672 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.352 2.519 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.302 5.330 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.624 4.884 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.357 3.432 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.562 4.940 5.100 1.00 0.00 H new ATOM 0 HE ARG A 20 0.247 2.341 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.053 5.784 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.718 5.624 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.885 2.157 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.749 3.583 5.842 1.00 0.00 H new ATOM 337 N TYR A 21 3.072 0.564 1.812 1.00 0.00 N ATOM 338 CA TYR A 21 3.279 -0.696 1.118 1.00 0.00 C ATOM 339 C TYR A 21 1.972 -1.232 0.538 1.00 0.00 C ATOM 340 O TYR A 21 0.911 -1.091 1.144 1.00 0.00 O ATOM 341 CB TYR A 21 3.836 -1.710 2.107 1.00 0.00 C ATOM 342 CG TYR A 21 5.169 -1.323 2.698 1.00 0.00 C ATOM 343 CD1 TYR A 21 5.236 -0.439 3.766 1.00 0.00 C ATOM 344 CD2 TYR A 21 6.356 -1.842 2.199 1.00 0.00 C ATOM 345 CE1 TYR A 21 6.447 -0.081 4.319 1.00 0.00 C ATOM 346 CE2 TYR A 21 7.574 -1.490 2.748 1.00 0.00 C ATOM 347 CZ TYR A 21 7.615 -0.609 3.808 1.00 0.00 C ATOM 348 OH TYR A 21 8.825 -0.255 4.358 1.00 0.00 O ATOM 0 H TYR A 21 2.358 0.529 2.540 1.00 0.00 H new ATOM 0 HA TYR A 21 3.975 -0.531 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.118 -1.846 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.938 -2.673 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.324 -0.025 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.327 -2.532 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.481 0.610 5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.489 -1.903 2.349 1.00 0.00 H new ATOM 0 HH TYR A 21 9.548 -0.716 3.883 1.00 0.00 H new ATOM 358 N PHE A 22 2.056 -1.881 -0.618 1.00 0.00 N ATOM 359 CA PHE A 22 0.882 -2.468 -1.250 1.00 0.00 C ATOM 360 C PHE A 22 1.244 -3.782 -1.917 1.00 0.00 C ATOM 361 O PHE A 22 2.417 -4.110 -2.077 1.00 0.00 O ATOM 362 CB PHE A 22 0.254 -1.515 -2.268 1.00 0.00 C ATOM 363 CG PHE A 22 0.965 -1.463 -3.592 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.197 -0.842 -3.712 1.00 0.00 C ATOM 365 CD2 PHE A 22 0.395 -2.039 -4.717 1.00 0.00 C ATOM 366 CE1 PHE A 22 2.849 -0.796 -4.931 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.042 -2.000 -5.937 1.00 0.00 C ATOM 368 CZ PHE A 22 2.270 -1.377 -6.044 1.00 0.00 C ATOM 0 H PHE A 22 2.925 -2.013 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 22 0.145 -2.654 -0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.781 -1.814 -2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.231 -0.512 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.654 -0.389 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.567 -2.524 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.809 -0.307 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.589 -2.456 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.778 -1.344 -6.997 1.00 0.00 H new ATOM 378 N TYR A 23 0.224 -4.519 -2.306 1.00 0.00 N ATOM 379 CA TYR A 23 0.408 -5.814 -2.959 1.00 0.00 C ATOM 380 C TYR A 23 0.261 -5.694 -4.474 1.00 0.00 C ATOM 381 O TYR A 23 -0.852 -5.688 -4.999 1.00 0.00 O ATOM 382 CB TYR A 23 -0.614 -6.816 -2.414 1.00 0.00 C ATOM 383 CG TYR A 23 -0.520 -8.181 -3.054 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.483 -9.071 -2.692 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.429 -8.577 -4.026 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.577 -10.316 -3.282 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.342 -9.822 -4.618 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.339 -10.687 -4.243 1.00 0.00 C ATOM 389 OH TYR A 23 -0.249 -11.927 -4.833 1.00 0.00 O ATOM 0 H TYR A 23 -0.751 -4.247 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 23 1.417 -6.166 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.473 -6.918 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.618 -6.420 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.201 -8.785 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.217 -7.901 -4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.364 -10.996 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.058 -10.115 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.971 -12.031 -5.488 1.00 0.00 H new ATOM 399 N ASN A 24 1.390 -5.613 -5.177 1.00 0.00 N ATOM 400 CA ASN A 24 1.376 -5.506 -6.627 1.00 0.00 C ATOM 401 C ASN A 24 0.933 -6.833 -7.246 1.00 0.00 C ATOM 402 O ASN A 24 1.500 -7.885 -6.953 1.00 0.00 O ATOM 403 CB ASN A 24 2.766 -5.103 -7.120 1.00 0.00 C ATOM 404 CG ASN A 24 2.793 -4.774 -8.601 1.00 0.00 C ATOM 405 OD1 ASN A 24 2.731 -5.663 -9.448 1.00 0.00 O ATOM 406 ND2 ASN A 24 2.894 -3.490 -8.921 1.00 0.00 N ATOM 0 H ASN A 24 2.322 -5.620 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 24 0.664 -4.739 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.110 -4.237 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.467 -5.914 -6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.923 -3.209 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.943 -2.784 -8.187 1.00 0.00 H new ATOM 413 N ALA A 25 -0.101 -6.779 -8.085 1.00 0.00 N ATOM 414 CA ALA A 25 -0.639 -7.982 -8.721 1.00 0.00 C ATOM 415 C ALA A 25 0.103 -8.343 -10.007 1.00 0.00 C ATOM 416 O ALA A 25 -0.390 -9.132 -10.813 1.00 0.00 O ATOM 417 CB ALA A 25 -2.123 -7.801 -9.003 1.00 0.00 C ATOM 0 H ALA A 25 -0.582 -5.917 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.496 -8.809 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.516 -8.701 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.652 -7.623 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.266 -6.949 -9.668 1.00 0.00 H new ATOM 423 N LYS A 26 1.293 -7.784 -10.186 1.00 0.00 N ATOM 424 CA LYS A 26 2.108 -8.065 -11.365 1.00 0.00 C ATOM 425 C LYS A 26 3.342 -8.851 -10.950 1.00 0.00 C ATOM 426 O LYS A 26 3.783 -9.764 -11.647 1.00 0.00 O ATOM 427 CB LYS A 26 2.517 -6.764 -12.059 1.00 0.00 C ATOM 428 CG LYS A 26 2.153 -6.724 -13.535 1.00 0.00 C ATOM 429 CD LYS A 26 0.690 -6.369 -13.739 1.00 0.00 C ATOM 430 CE LYS A 26 -0.185 -7.612 -13.779 1.00 0.00 C ATOM 431 NZ LYS A 26 -1.551 -7.313 -14.294 1.00 0.00 N ATOM 0 H LYS A 26 1.718 -7.131 -9.528 1.00 0.00 H new ATOM 0 HA LYS A 26 1.523 -8.656 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.039 -5.925 -11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.593 -6.628 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.780 -5.993 -14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.360 -7.694 -13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.358 -5.715 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.576 -5.812 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.284 -8.366 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.259 -8.036 -12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.116 -8.186 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.009 -6.612 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.482 -6.932 -15.259 1.00 0.00 H new ATOM 445 N ALA A 27 3.876 -8.495 -9.788 1.00 0.00 N ATOM 446 CA ALA A 27 5.043 -9.163 -9.236 1.00 0.00 C ATOM 447 C ALA A 27 4.648 -10.031 -8.044 1.00 0.00 C ATOM 448 O ALA A 27 5.465 -10.784 -7.516 1.00 0.00 O ATOM 449 CB ALA A 27 6.090 -8.139 -8.826 1.00 0.00 C ATOM 0 H ALA A 27 3.513 -7.740 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 27 5.470 -9.809 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.959 -8.652 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.391 -7.558 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.671 -7.472 -8.072 1.00 0.00 H new ATOM 455 N GLY A 28 3.383 -9.925 -7.627 1.00 0.00 N ATOM 456 CA GLY A 28 2.900 -10.705 -6.524 1.00 0.00 C ATOM 457 C GLY A 28 3.568 -10.379 -5.208 1.00 0.00 C ATOM 458 O GLY A 28 3.337 -11.043 -4.197 1.00 0.00 O ATOM 0 H GLY A 28 2.690 -9.304 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.826 -10.550 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.050 -11.762 -6.745 1.00 0.00 H new ATOM 462 N LEU A 29 4.400 -9.362 -5.231 1.00 0.00 N ATOM 463 CA LEU A 29 5.126 -8.932 -4.043 1.00 0.00 C ATOM 464 C LEU A 29 4.624 -7.576 -3.560 1.00 0.00 C ATOM 465 O LEU A 29 3.936 -6.859 -4.290 1.00 0.00 O ATOM 466 CB LEU A 29 6.627 -8.858 -4.333 1.00 0.00 C ATOM 467 CG LEU A 29 7.263 -10.165 -4.816 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.555 -9.883 -5.568 1.00 0.00 C ATOM 469 CD2 LEU A 29 7.522 -11.097 -3.642 1.00 0.00 C ATOM 0 H LEU A 29 4.596 -8.809 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 29 4.951 -9.666 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.798 -8.089 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.140 -8.536 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 29 6.568 -10.655 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.993 -10.823 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.343 -9.252 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.256 -9.371 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.974 -12.021 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.198 -10.614 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.580 -11.325 -3.144 1.00 0.00 H new ATOM 481 N CYS A 30 4.969 -7.228 -2.325 1.00 0.00 N ATOM 482 CA CYS A 30 4.552 -5.965 -1.750 1.00 0.00 C ATOM 483 C CYS A 30 5.565 -4.865 -2.047 1.00 0.00 C ATOM 484 O CYS A 30 6.734 -4.961 -1.672 1.00 0.00 O ATOM 485 CB CYS A 30 4.362 -6.119 -0.243 1.00 0.00 C ATOM 486 SG CYS A 30 2.661 -6.551 0.255 1.00 0.00 S ATOM 0 H CYS A 30 5.537 -7.807 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 30 3.603 -5.677 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.042 -6.889 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.646 -5.187 0.245 1.00 0.00 H new ATOM 491 N GLN A 31 5.102 -3.817 -2.716 1.00 0.00 N ATOM 492 CA GLN A 31 5.957 -2.690 -3.068 1.00 0.00 C ATOM 493 C GLN A 31 5.545 -1.449 -2.284 1.00 0.00 C ATOM 494 O GLN A 31 4.498 -1.437 -1.642 1.00 0.00 O ATOM 495 CB GLN A 31 5.882 -2.422 -4.572 1.00 0.00 C ATOM 496 CG GLN A 31 6.069 -3.668 -5.422 1.00 0.00 C ATOM 497 CD GLN A 31 6.278 -3.346 -6.888 1.00 0.00 C ATOM 498 OE1 GLN A 31 5.937 -2.258 -7.352 1.00 0.00 O ATOM 499 NE2 GLN A 31 6.839 -4.296 -7.629 1.00 0.00 N ATOM 0 H GLN A 31 4.135 -3.724 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 31 6.987 -2.936 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.916 -1.975 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.645 -1.691 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.926 -4.231 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.195 -4.311 -5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.106 -5.184 -7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.002 -4.138 -8.623 1.00 0.00 H new ATOM 508 N THR A 32 6.370 -0.408 -2.326 1.00 0.00 N ATOM 509 CA THR A 32 6.070 0.818 -1.590 1.00 0.00 C ATOM 510 C THR A 32 5.801 2.003 -2.515 1.00 0.00 C ATOM 511 O THR A 32 6.119 1.966 -3.704 1.00 0.00 O ATOM 512 CB THR A 32 7.224 1.163 -0.646 1.00 0.00 C ATOM 513 OG1 THR A 32 8.255 1.840 -1.342 1.00 0.00 O ATOM 514 CG2 THR A 32 7.842 -0.047 0.021 1.00 0.00 C ATOM 0 H THR A 32 7.242 -0.386 -2.855 1.00 0.00 H new ATOM 0 HA THR A 32 5.161 0.630 -1.018 1.00 0.00 H new ATOM 0 HB THR A 32 6.783 1.795 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.983 2.054 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.653 0.273 0.675 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.084 -0.565 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.234 -0.721 -0.740 1.00 0.00 H new ATOM 522 N PHE A 33 5.222 3.062 -1.944 1.00 0.00 N ATOM 523 CA PHE A 33 4.926 4.283 -2.693 1.00 0.00 C ATOM 524 C PHE A 33 4.935 5.492 -1.758 1.00 0.00 C ATOM 525 O PHE A 33 4.771 5.351 -0.545 1.00 0.00 O ATOM 526 CB PHE A 33 3.587 4.185 -3.447 1.00 0.00 C ATOM 527 CG PHE A 33 2.452 3.574 -2.666 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.529 2.271 -2.201 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.304 4.306 -2.408 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.484 1.713 -1.491 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.255 3.750 -1.699 1.00 0.00 C ATOM 532 CZ PHE A 33 0.346 2.452 -1.240 1.00 0.00 C ATOM 0 H PHE A 33 4.949 3.097 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 33 5.707 4.410 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.292 5.186 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.741 3.598 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.415 1.686 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.228 5.323 -2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.558 0.697 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.634 4.331 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.472 2.015 -0.686 1.00 0.00 H new ATOM 542 N VAL A 34 5.161 6.674 -2.326 1.00 0.00 N ATOM 543 CA VAL A 34 5.227 7.904 -1.546 1.00 0.00 C ATOM 544 C VAL A 34 3.840 8.485 -1.294 1.00 0.00 C ATOM 545 O VAL A 34 3.486 9.533 -1.830 1.00 0.00 O ATOM 546 CB VAL A 34 6.101 8.960 -2.248 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.292 10.177 -1.354 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.445 8.365 -2.643 1.00 0.00 C ATOM 0 H VAL A 34 5.302 6.805 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 34 5.677 7.645 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 34 5.590 9.281 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.912 10.912 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.321 10.617 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.780 9.875 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.049 9.126 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.964 8.014 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.287 7.529 -3.324 1.00 0.00 H new ATOM 558 N TYR A 35 3.078 7.803 -0.452 1.00 0.00 N ATOM 559 CA TYR A 35 1.728 8.234 -0.097 1.00 0.00 C ATOM 560 C TYR A 35 1.774 9.602 0.591 1.00 0.00 C ATOM 561 O TYR A 35 2.679 9.870 1.377 1.00 0.00 O ATOM 562 CB TYR A 35 1.075 7.180 0.810 1.00 0.00 C ATOM 563 CG TYR A 35 -0.186 7.640 1.485 1.00 0.00 C ATOM 564 CD1 TYR A 35 -1.126 8.373 0.799 1.00 0.00 C ATOM 565 CD2 TYR A 35 -0.425 7.344 2.810 1.00 0.00 C ATOM 566 CE1 TYR A 35 -2.281 8.804 1.412 1.00 0.00 C ATOM 567 CE2 TYR A 35 -1.576 7.767 3.438 1.00 0.00 C ATOM 568 CZ TYR A 35 -2.501 8.498 2.734 1.00 0.00 C ATOM 569 OH TYR A 35 -3.653 8.926 3.355 1.00 0.00 O ATOM 0 H TYR A 35 3.373 6.940 0.004 1.00 0.00 H new ATOM 0 HA TYR A 35 1.127 8.334 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.852 6.294 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.793 6.880 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.955 8.615 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.303 6.771 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.009 9.378 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.749 7.525 4.476 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.301 9.215 2.679 1.00 0.00 H new ATOM 579 N GLY A 36 0.819 10.481 0.282 1.00 0.00 N ATOM 580 CA GLY A 36 0.836 11.807 0.877 1.00 0.00 C ATOM 581 C GLY A 36 -0.318 12.107 1.825 1.00 0.00 C ATOM 582 O GLY A 36 -0.692 13.260 1.984 1.00 0.00 O ATOM 0 H GLY A 36 0.046 10.301 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.773 11.932 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.830 12.547 0.077 1.00 0.00 H new ATOM 586 N GLY A 37 -0.860 11.095 2.482 1.00 0.00 N ATOM 587 CA GLY A 37 -1.935 11.330 3.428 1.00 0.00 C ATOM 588 C GLY A 37 -3.203 11.893 2.820 1.00 0.00 C ATOM 589 O GLY A 37 -4.033 12.467 3.526 1.00 0.00 O ATOM 0 H GLY A 37 -0.579 10.120 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.174 10.390 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.581 12.017 4.196 1.00 0.00 H new ATOM 593 N CYS A 38 -3.365 11.725 1.520 1.00 0.00 N ATOM 594 CA CYS A 38 -4.560 12.214 0.835 1.00 0.00 C ATOM 595 C CYS A 38 -5.386 11.066 0.261 1.00 0.00 C ATOM 596 O CYS A 38 -4.914 10.307 -0.587 1.00 0.00 O ATOM 597 CB CYS A 38 -4.193 13.194 -0.279 1.00 0.00 C ATOM 598 SG CYS A 38 -4.696 14.911 0.057 1.00 0.00 S ATOM 0 H CYS A 38 -2.691 11.257 0.915 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.164 12.735 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.115 13.165 -0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.658 12.864 -1.208 1.00 0.00 H new ATOM 603 N ARG A 39 -6.625 10.951 0.739 1.00 0.00 N ATOM 604 CA ARG A 39 -7.540 9.901 0.296 1.00 0.00 C ATOM 605 C ARG A 39 -6.887 8.524 0.379 1.00 0.00 C ATOM 606 O ARG A 39 -6.703 7.846 -0.633 1.00 0.00 O ATOM 607 CB ARG A 39 -8.027 10.161 -1.131 1.00 0.00 C ATOM 608 CG ARG A 39 -9.395 10.819 -1.195 1.00 0.00 C ATOM 609 CD ARG A 39 -10.502 9.788 -1.350 1.00 0.00 C ATOM 610 NE ARG A 39 -10.547 8.853 -0.226 1.00 0.00 N ATOM 611 CZ ARG A 39 -11.644 8.201 0.156 1.00 0.00 C ATOM 612 NH1 ARG A 39 -12.787 8.363 -0.501 1.00 0.00 N ATOM 613 NH2 ARG A 39 -11.598 7.379 1.195 1.00 0.00 N ATOM 0 H ARG A 39 -7.020 11.579 1.439 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.399 9.917 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.303 10.795 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.062 9.216 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.563 11.401 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.426 11.516 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.462 10.298 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.353 9.233 -2.276 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.686 8.690 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.829 8.990 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.623 7.860 -0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.723 7.246 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.438 6.880 1.488 1.00 0.00 H new ATOM 627 N ALA A 40 -6.541 8.118 1.594 1.00 0.00 N ATOM 628 CA ALA A 40 -5.915 6.818 1.816 1.00 0.00 C ATOM 629 C ALA A 40 -6.753 5.687 1.227 1.00 0.00 C ATOM 630 O ALA A 40 -7.982 5.752 1.209 1.00 0.00 O ATOM 631 CB ALA A 40 -5.704 6.584 3.303 1.00 0.00 C ATOM 0 H ALA A 40 -6.682 8.669 2.441 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.950 6.823 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.237 5.611 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.058 7.364 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.666 6.609 3.815 1.00 0.00 H new ATOM 637 N LYS A 41 -6.075 4.645 0.753 1.00 0.00 N ATOM 638 CA LYS A 41 -6.747 3.494 0.169 1.00 0.00 C ATOM 639 C LYS A 41 -6.654 2.286 1.099 1.00 0.00 C ATOM 640 O LYS A 41 -6.209 2.404 2.240 1.00 0.00 O ATOM 641 CB LYS A 41 -6.129 3.166 -1.192 1.00 0.00 C ATOM 642 CG LYS A 41 -6.944 3.679 -2.367 1.00 0.00 C ATOM 643 CD LYS A 41 -7.907 2.620 -2.864 1.00 0.00 C ATOM 644 CE LYS A 41 -8.827 3.156 -3.949 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.212 2.099 -4.923 1.00 0.00 N ATOM 0 H LYS A 41 -5.057 4.577 0.763 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.801 3.738 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.128 3.594 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.018 2.085 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.499 4.569 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.276 3.976 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.344 1.771 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.505 2.252 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.724 3.572 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.331 3.971 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.839 2.505 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.358 1.719 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.708 1.332 -4.425 1.00 0.00 H new ATOM 659 N ARG A 42 -7.083 1.125 0.608 1.00 0.00 N ATOM 660 CA ARG A 42 -7.054 -0.102 1.404 1.00 0.00 C ATOM 661 C ARG A 42 -5.733 -0.842 1.226 1.00 0.00 C ATOM 662 O ARG A 42 -5.249 -1.499 2.148 1.00 0.00 O ATOM 663 CB ARG A 42 -8.216 -1.021 1.013 1.00 0.00 C ATOM 664 CG ARG A 42 -9.582 -0.451 1.362 1.00 0.00 C ATOM 665 CD ARG A 42 -10.614 -0.777 0.294 1.00 0.00 C ATOM 666 NE ARG A 42 -11.371 0.405 -0.115 1.00 0.00 N ATOM 667 CZ ARG A 42 -12.619 0.670 0.276 1.00 0.00 C ATOM 668 NH1 ARG A 42 -13.261 -0.154 1.096 1.00 0.00 N ATOM 669 NH2 ARG A 42 -13.225 1.768 -0.154 1.00 0.00 N ATOM 0 H ARG A 42 -7.454 1.007 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.155 0.180 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.173 -1.212 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.093 -1.982 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.910 -0.853 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.507 0.630 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.114 -1.206 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.301 -1.534 0.672 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.916 1.070 -0.740 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.800 -0.999 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.215 0.058 1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.737 2.407 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.179 1.974 0.143 1.00 0.00 H new ATOM 683 N ASN A 43 -5.163 -0.751 0.028 1.00 0.00 N ATOM 684 CA ASN A 43 -3.904 -1.426 -0.266 1.00 0.00 C ATOM 685 C ASN A 43 -2.716 -0.514 0.011 1.00 0.00 C ATOM 686 O ASN A 43 -1.972 -0.143 -0.897 1.00 0.00 O ATOM 687 CB ASN A 43 -3.879 -1.900 -1.719 1.00 0.00 C ATOM 688 CG ASN A 43 -2.880 -3.015 -1.955 1.00 0.00 C ATOM 689 OD1 ASN A 43 -2.268 -3.526 -1.017 1.00 0.00 O ATOM 690 ND2 ASN A 43 -2.709 -3.393 -3.217 1.00 0.00 N ATOM 0 H ASN A 43 -5.551 -0.219 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.827 -2.294 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.874 -2.244 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.637 -1.058 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.048 -4.136 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.239 -2.940 -3.961 1.00 0.00 H new ATOM 697 N ASN A 44 -2.561 -0.153 1.277 1.00 0.00 N ATOM 698 CA ASN A 44 -1.477 0.713 1.707 1.00 0.00 C ATOM 699 C ASN A 44 -1.193 0.513 3.198 1.00 0.00 C ATOM 700 O ASN A 44 -1.969 0.924 4.059 1.00 0.00 O ATOM 701 CB ASN A 44 -1.819 2.168 1.353 1.00 0.00 C ATOM 702 CG ASN A 44 -2.418 2.985 2.484 1.00 0.00 C ATOM 703 OD1 ASN A 44 -3.337 2.545 3.176 1.00 0.00 O ATOM 704 ND2 ASN A 44 -1.904 4.199 2.654 1.00 0.00 N ATOM 0 H ASN A 44 -3.181 -0.451 2.030 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.558 0.454 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.912 2.664 1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.518 2.167 0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.271 4.811 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.143 4.519 2.055 1.00 0.00 H new ATOM 711 N PHE A 45 -0.079 -0.153 3.496 1.00 0.00 N ATOM 712 CA PHE A 45 0.299 -0.436 4.878 1.00 0.00 C ATOM 713 C PHE A 45 1.446 0.457 5.329 1.00 0.00 C ATOM 714 O PHE A 45 2.137 1.063 4.508 1.00 0.00 O ATOM 715 CB PHE A 45 0.703 -1.906 5.032 1.00 0.00 C ATOM 716 CG PHE A 45 -0.229 -2.858 4.334 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.342 -3.366 4.988 1.00 0.00 C ATOM 718 CD2 PHE A 45 -0.003 -3.234 3.018 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.209 -4.229 4.344 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.866 -4.099 2.370 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.970 -4.597 3.034 1.00 0.00 C ATOM 0 H PHE A 45 0.577 -0.506 2.799 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.568 -0.232 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.710 -2.041 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.739 -2.156 6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.533 -3.084 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.858 -2.846 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.073 -4.615 4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.677 -4.385 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.645 -5.273 2.530 1.00 0.00 H new ATOM 731 N LYS A 46 1.639 0.535 6.639 1.00 0.00 N ATOM 732 CA LYS A 46 2.699 1.351 7.207 1.00 0.00 C ATOM 733 C LYS A 46 4.030 0.610 7.174 1.00 0.00 C ATOM 734 O LYS A 46 5.095 1.227 7.205 1.00 0.00 O ATOM 735 CB LYS A 46 2.351 1.739 8.645 1.00 0.00 C ATOM 736 CG LYS A 46 2.624 3.198 8.963 1.00 0.00 C ATOM 737 CD LYS A 46 3.090 3.379 10.400 1.00 0.00 C ATOM 738 CE LYS A 46 4.600 3.538 10.483 1.00 0.00 C ATOM 739 NZ LYS A 46 5.224 2.480 11.325 1.00 0.00 N ATOM 0 H LYS A 46 1.072 0.041 7.328 1.00 0.00 H new ATOM 0 HA LYS A 46 2.794 2.255 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.297 1.528 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.923 1.113 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.383 3.584 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.719 3.783 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.607 4.255 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.781 2.519 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.025 3.501 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.840 4.518 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.254 2.624 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.838 2.531 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.017 1.546 10.918 1.00 0.00 H new ATOM 753 N SER A 47 3.969 -0.719 7.105 1.00 0.00 N ATOM 754 CA SER A 47 5.178 -1.528 7.070 1.00 0.00 C ATOM 755 C SER A 47 5.002 -2.773 6.210 1.00 0.00 C ATOM 756 O SER A 47 3.900 -3.312 6.076 1.00 0.00 O ATOM 757 CB SER A 47 5.593 -1.928 8.487 1.00 0.00 C ATOM 758 OG SER A 47 4.543 -1.705 9.412 1.00 0.00 O ATOM 0 H SER A 47 3.100 -1.252 7.073 1.00 0.00 H new ATOM 0 HA SER A 47 5.963 -0.920 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.877 -2.980 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.472 -1.357 8.786 1.00 0.00 H new ATOM 0 HG SER A 47 4.835 -1.971 10.309 1.00 0.00 H new ATOM 764 N ALA A 48 6.110 -3.230 5.641 1.00 0.00 N ATOM 765 CA ALA A 48 6.105 -4.416 4.799 1.00 0.00 C ATOM 766 C ALA A 48 5.551 -5.615 5.559 1.00 0.00 C ATOM 767 O ALA A 48 4.966 -6.522 4.967 1.00 0.00 O ATOM 768 CB ALA A 48 7.508 -4.709 4.290 1.00 0.00 C ATOM 0 H ALA A 48 7.026 -2.794 5.749 1.00 0.00 H new ATOM 0 HA ALA A 48 5.457 -4.227 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.488 -5.599 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.868 -3.861 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.174 -4.877 5.136 1.00 0.00 H new ATOM 774 N GLU A 49 5.738 -5.609 6.876 1.00 0.00 N ATOM 775 CA GLU A 49 5.252 -6.693 7.720 1.00 0.00 C ATOM 776 C GLU A 49 3.732 -6.757 7.680 1.00 0.00 C ATOM 777 O GLU A 49 3.151 -7.833 7.543 1.00 0.00 O ATOM 778 CB GLU A 49 5.732 -6.509 9.161 1.00 0.00 C ATOM 779 CG GLU A 49 7.098 -7.118 9.432 1.00 0.00 C ATOM 780 CD GLU A 49 7.051 -8.628 9.557 1.00 0.00 C ATOM 781 OE1 GLU A 49 6.682 -9.123 10.643 1.00 0.00 O ATOM 782 OE2 GLU A 49 7.382 -9.316 8.569 1.00 0.00 O ATOM 0 H GLU A 49 6.222 -4.866 7.380 1.00 0.00 H new ATOM 0 HA GLU A 49 5.653 -7.631 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.767 -5.444 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.004 -6.957 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.779 -6.845 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.505 -6.694 10.350 1.00 0.00 H new ATOM 789 N ASP A 50 3.089 -5.598 7.785 1.00 0.00 N ATOM 790 CA ASP A 50 1.635 -5.539 7.737 1.00 0.00 C ATOM 791 C ASP A 50 1.163 -5.986 6.361 1.00 0.00 C ATOM 792 O ASP A 50 0.181 -6.717 6.229 1.00 0.00 O ATOM 793 CB ASP A 50 1.139 -4.123 8.040 1.00 0.00 C ATOM 794 CG ASP A 50 0.245 -4.075 9.264 1.00 0.00 C ATOM 795 OD1 ASP A 50 0.453 -4.897 10.182 1.00 0.00 O ATOM 796 OD2 ASP A 50 -0.661 -3.217 9.305 1.00 0.00 O ATOM 0 H ASP A 50 3.549 -4.695 7.903 1.00 0.00 H new ATOM 0 HA ASP A 50 1.224 -6.205 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.995 -3.466 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.592 -3.740 7.178 1.00 0.00 H new ATOM 801 N CYS A 51 1.901 -5.561 5.339 1.00 0.00 N ATOM 802 CA CYS A 51 1.596 -5.927 3.964 1.00 0.00 C ATOM 803 C CYS A 51 1.621 -7.437 3.821 1.00 0.00 C ATOM 804 O CYS A 51 0.626 -8.064 3.457 1.00 0.00 O ATOM 805 CB CYS A 51 2.639 -5.318 3.031 1.00 0.00 C ATOM 806 SG CYS A 51 2.039 -4.956 1.348 1.00 0.00 S ATOM 0 H CYS A 51 2.718 -4.960 5.441 1.00 0.00 H new ATOM 0 HA CYS A 51 0.606 -5.552 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.009 -4.395 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.486 -6.000 2.961 1.00 0.00 H new ATOM 811 N LEU A 52 2.775 -8.014 4.128 1.00 0.00 N ATOM 812 CA LEU A 52 2.943 -9.457 4.050 1.00 0.00 C ATOM 813 C LEU A 52 1.923 -10.148 4.944 1.00 0.00 C ATOM 814 O LEU A 52 1.438 -11.234 4.634 1.00 0.00 O ATOM 815 CB LEU A 52 4.363 -9.857 4.456 1.00 0.00 C ATOM 816 CG LEU A 52 5.463 -9.398 3.498 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.825 -9.453 4.177 1.00 0.00 C ATOM 818 CD2 LEU A 52 5.457 -10.251 2.237 1.00 0.00 C ATOM 0 H LEU A 52 3.606 -7.506 4.432 1.00 0.00 H new ATOM 0 HA LEU A 52 2.781 -9.772 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.570 -9.449 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.408 -10.943 4.543 1.00 0.00 H new ATOM 0 HG LEU A 52 5.266 -8.364 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.594 -9.123 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.823 -8.800 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.035 -10.476 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.245 -9.912 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.630 -11.294 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.492 -10.158 1.740 1.00 0.00 H new ATOM 830 N ARG A 53 1.576 -9.493 6.044 1.00 0.00 N ATOM 831 CA ARG A 53 0.587 -10.037 6.958 1.00 0.00 C ATOM 832 C ARG A 53 -0.785 -10.029 6.296 1.00 0.00 C ATOM 833 O ARG A 53 -1.649 -10.843 6.623 1.00 0.00 O ATOM 834 CB ARG A 53 0.551 -9.230 8.257 1.00 0.00 C ATOM 835 CG ARG A 53 1.638 -9.617 9.246 1.00 0.00 C ATOM 836 CD ARG A 53 1.334 -10.947 9.917 1.00 0.00 C ATOM 837 NE ARG A 53 1.849 -12.078 9.149 1.00 0.00 N ATOM 838 CZ ARG A 53 1.763 -13.345 9.548 1.00 0.00 C ATOM 839 NH1 ARG A 53 1.190 -13.646 10.707 1.00 0.00 N ATOM 840 NH2 ARG A 53 2.253 -14.314 8.787 1.00 0.00 N ATOM 0 H ARG A 53 1.963 -8.591 6.322 1.00 0.00 H new ATOM 0 HA ARG A 53 0.862 -11.063 7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.649 -8.171 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.422 -9.362 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.596 -9.680 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.735 -8.840 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.771 -10.958 10.915 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.256 -11.053 10.040 1.00 0.00 H new ATOM 0 HE ARG A 53 2.301 -11.886 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.813 -12.905 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.127 -14.619 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.696 -14.088 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.187 -15.285 9.092 1.00 0.00 H new ATOM 854 N THR A 54 -0.978 -9.104 5.353 1.00 0.00 N ATOM 855 CA THR A 54 -2.245 -8.993 4.643 1.00 0.00 C ATOM 856 C THR A 54 -2.288 -9.924 3.432 1.00 0.00 C ATOM 857 O THR A 54 -3.131 -10.818 3.362 1.00 0.00 O ATOM 858 CB THR A 54 -2.483 -7.543 4.215 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.580 -6.705 5.352 1.00 0.00 O ATOM 860 CG2 THR A 54 -3.746 -7.355 3.401 1.00 0.00 C ATOM 0 H THR A 54 -0.273 -8.425 5.067 1.00 0.00 H new ATOM 0 HA THR A 54 -3.042 -9.297 5.322 1.00 0.00 H new ATOM 0 HB THR A 54 -1.629 -7.278 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.020 -5.911 5.222 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.852 -6.304 3.132 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.688 -7.958 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.608 -7.668 3.990 1.00 0.00 H new ATOM 868 N CYS A 55 -1.396 -9.709 2.466 1.00 0.00 N ATOM 869 CA CYS A 55 -1.375 -10.533 1.267 1.00 0.00 C ATOM 870 C CYS A 55 0.004 -11.133 1.013 1.00 0.00 C ATOM 871 O CYS A 55 0.399 -11.334 -0.135 1.00 0.00 O ATOM 872 CB CYS A 55 -1.807 -9.694 0.075 1.00 0.00 C ATOM 873 SG CYS A 55 -3.006 -10.523 -1.022 1.00 0.00 S ATOM 0 H CYS A 55 -0.686 -8.977 2.493 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.068 -11.362 1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.245 -8.764 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.925 -9.425 -0.506 1.00 0.00 H new