USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 22:sc= 1.05 USER MOD Single : A 26 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.039) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0637 (180deg=-0.426) USER MOD Single : A 29 TYR OH : rot 146:sc= -3.28! USER MOD Single : A 31 SER OG : rot -147:sc= 0.355 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -170:sc= -1.22 (180deg=-1.79) USER MOD Single : A 46 HIS : no HD1:sc= -6.86! C(o=-6.9!,f=-7.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.63 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -31:sc= 0.106 USER MOD Single : A 63 ASN : amide:sc= -0.807 K(o=-0.81,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -2.424 -2.436 -10.814 1.00 0.00 N ATOM 40 CA PRO A 9 -3.347 -1.445 -10.262 1.00 0.00 C ATOM 41 C PRO A 9 -3.975 -1.887 -8.927 1.00 0.00 C ATOM 42 O PRO A 9 -5.198 -1.795 -8.737 1.00 0.00 O ATOM 43 CB PRO A 9 -4.428 -1.340 -11.359 1.00 0.00 C ATOM 44 CG PRO A 9 -4.110 -2.409 -12.367 1.00 0.00 C ATOM 45 CD PRO A 9 -3.125 -3.333 -11.721 1.00 0.00 C ATOM 0 HA PRO A 9 -2.847 -0.505 -10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.423 -1.485 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.418 -0.353 -11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.012 -2.947 -12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.693 -1.973 -13.275 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.617 -4.148 -11.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.452 -3.786 -12.449 1.00 0.00 H new ATOM 53 N GLY A 10 -3.152 -2.359 -8.031 1.00 0.00 N ATOM 54 CA GLY A 10 -3.592 -2.765 -6.737 1.00 0.00 C ATOM 55 C GLY A 10 -2.591 -3.698 -6.136 1.00 0.00 C ATOM 56 O GLY A 10 -1.623 -4.074 -6.814 1.00 0.00 O ATOM 0 H GLY A 10 -2.150 -2.471 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.722 -1.893 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.563 -3.255 -6.809 1.00 0.00 H new ATOM 60 N ILE A 11 -2.804 -4.075 -4.882 1.00 0.00 N ATOM 61 CA ILE A 11 -1.902 -4.981 -4.170 1.00 0.00 C ATOM 62 C ILE A 11 -1.732 -6.290 -4.929 1.00 0.00 C ATOM 63 O ILE A 11 -2.647 -7.111 -5.007 1.00 0.00 O ATOM 64 CB ILE A 11 -2.390 -5.313 -2.736 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.608 -4.036 -1.918 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.384 -6.235 -2.027 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.082 -4.295 -0.507 1.00 0.00 C ATOM 0 H ILE A 11 -3.603 -3.765 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.951 -4.453 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.346 -5.831 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.675 -3.474 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.338 -3.408 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.741 -6.459 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.281 -7.163 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.416 -5.738 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.215 -3.346 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.032 -4.830 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.342 -4.897 0.021 1.00 0.00 H new ATOM 79 N THR A 12 -0.593 -6.439 -5.510 1.00 0.00 N ATOM 80 CA THR A 12 -0.229 -7.626 -6.201 1.00 0.00 C ATOM 81 C THR A 12 0.754 -8.355 -5.290 1.00 0.00 C ATOM 82 O THR A 12 1.425 -7.705 -4.478 1.00 0.00 O ATOM 83 CB THR A 12 0.452 -7.238 -7.523 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.347 -6.236 -8.176 1.00 0.00 O ATOM 85 CG2 THR A 12 0.590 -8.435 -8.455 1.00 0.00 C ATOM 0 H THR A 12 0.130 -5.720 -5.518 1.00 0.00 H new ATOM 0 HA THR A 12 -1.088 -8.256 -6.432 1.00 0.00 H new ATOM 0 HB THR A 12 1.450 -6.863 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.078 -5.978 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.076 -8.122 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.191 -9.205 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.398 -8.835 -8.682 1.00 0.00 H new ATOM 93 N PHE A 13 0.847 -9.663 -5.385 1.00 0.00 N ATOM 94 CA PHE A 13 1.748 -10.419 -4.515 1.00 0.00 C ATOM 95 C PHE A 13 3.205 -10.359 -5.008 1.00 0.00 C ATOM 96 O PHE A 13 3.891 -11.383 -5.107 1.00 0.00 O ATOM 97 CB PHE A 13 1.272 -11.870 -4.359 1.00 0.00 C ATOM 98 CG PHE A 13 -0.098 -11.987 -3.745 1.00 0.00 C ATOM 99 CD1 PHE A 13 -0.310 -11.628 -2.423 1.00 0.00 C ATOM 100 CD2 PHE A 13 -1.168 -12.455 -4.484 1.00 0.00 C ATOM 101 CE1 PHE A 13 -1.562 -11.729 -1.858 1.00 0.00 C ATOM 102 CE2 PHE A 13 -2.424 -12.558 -3.924 1.00 0.00 C ATOM 103 CZ PHE A 13 -2.622 -12.195 -2.609 1.00 0.00 C ATOM 0 H PHE A 13 0.318 -10.230 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 13 1.723 -9.948 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.266 -12.350 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.986 -12.415 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.516 -11.265 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.019 -12.744 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.714 -11.444 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.251 -12.923 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.604 -12.275 -2.167 1.00 0.00 H new ATOM 113 N GLU A 14 3.666 -9.151 -5.290 1.00 0.00 N ATOM 114 CA GLU A 14 5.007 -8.905 -5.765 1.00 0.00 C ATOM 115 C GLU A 14 5.524 -7.627 -5.105 1.00 0.00 C ATOM 116 O GLU A 14 4.817 -6.604 -5.077 1.00 0.00 O ATOM 117 CB GLU A 14 5.029 -8.707 -7.295 1.00 0.00 C ATOM 118 CG GLU A 14 4.357 -9.813 -8.108 1.00 0.00 C ATOM 119 CD GLU A 14 4.477 -9.611 -9.603 1.00 0.00 C ATOM 120 OE1 GLU A 14 4.091 -8.547 -10.106 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.939 -10.543 -10.304 1.00 0.00 O ATOM 0 H GLU A 14 3.106 -8.304 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 14 5.630 -9.764 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.542 -7.760 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.066 -8.621 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.801 -10.772 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.302 -9.863 -7.838 1.00 0.00 H new ATOM 128 N ILE A 15 6.704 -7.681 -4.556 1.00 0.00 N ATOM 129 CA ILE A 15 7.324 -6.514 -3.982 1.00 0.00 C ATOM 130 C ILE A 15 7.621 -5.522 -5.087 1.00 0.00 C ATOM 131 O ILE A 15 8.259 -5.859 -6.079 1.00 0.00 O ATOM 132 CB ILE A 15 8.608 -6.878 -3.185 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.225 -7.616 -1.890 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.464 -5.642 -2.883 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.400 -8.056 -1.051 1.00 0.00 C ATOM 0 H ILE A 15 7.264 -8.531 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 15 6.636 -6.062 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 15 9.216 -7.538 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.589 -6.965 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.630 -8.492 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.351 -5.941 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.766 -5.171 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.884 -4.934 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.039 -8.567 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.026 -8.735 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.985 -7.184 -0.758 1.00 0.00 H new ATOM 147 N GLY A 16 7.129 -4.332 -4.921 1.00 0.00 N ATOM 148 CA GLY A 16 7.255 -3.326 -5.918 1.00 0.00 C ATOM 149 C GLY A 16 5.919 -3.009 -6.521 1.00 0.00 C ATOM 150 O GLY A 16 5.787 -2.028 -7.257 1.00 0.00 O ATOM 0 H GLY A 16 6.627 -4.035 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.685 -2.425 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.941 -3.662 -6.696 1.00 0.00 H new ATOM 154 N ALA A 17 4.922 -3.845 -6.223 1.00 0.00 N ATOM 155 CA ALA A 17 3.575 -3.638 -6.729 1.00 0.00 C ATOM 156 C ALA A 17 2.980 -2.351 -6.213 1.00 0.00 C ATOM 157 O ALA A 17 3.226 -1.947 -5.055 1.00 0.00 O ATOM 158 CB ALA A 17 2.673 -4.796 -6.362 1.00 0.00 C ATOM 0 H ALA A 17 5.028 -4.670 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 17 3.649 -3.574 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.672 -4.615 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.069 -5.716 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.627 -4.892 -5.277 1.00 0.00 H new ATOM 164 N ARG A 18 2.240 -1.699 -7.071 1.00 0.00 N ATOM 165 CA ARG A 18 1.548 -0.492 -6.724 1.00 0.00 C ATOM 166 C ARG A 18 0.276 -0.816 -5.974 1.00 0.00 C ATOM 167 O ARG A 18 -0.707 -1.235 -6.568 1.00 0.00 O ATOM 168 CB ARG A 18 1.181 0.328 -7.958 1.00 0.00 C ATOM 169 CG ARG A 18 2.332 0.796 -8.815 1.00 0.00 C ATOM 170 CD ARG A 18 1.783 1.514 -10.030 1.00 0.00 C ATOM 171 NE ARG A 18 2.809 1.932 -10.984 1.00 0.00 N ATOM 172 CZ ARG A 18 2.552 2.253 -12.266 1.00 0.00 C ATOM 173 NH1 ARG A 18 1.320 2.115 -12.760 1.00 0.00 N ATOM 174 NH2 ARG A 18 3.524 2.707 -13.042 1.00 0.00 N ATOM 0 H ARG A 18 2.101 -1.995 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 18 2.223 0.093 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.512 -0.268 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.618 1.203 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.979 1.462 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.941 -0.054 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.074 0.860 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.227 2.392 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 18 3.775 1.983 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.568 1.765 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.130 2.359 -13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.467 2.813 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.330 2.950 -14.013 1.00 0.00 H new ATOM 188 N LEU A 19 0.309 -0.667 -4.685 1.00 0.00 N ATOM 189 CA LEU A 19 -0.894 -0.837 -3.889 1.00 0.00 C ATOM 190 C LEU A 19 -1.646 0.482 -3.852 1.00 0.00 C ATOM 191 O LEU A 19 -1.022 1.544 -3.996 1.00 0.00 O ATOM 192 CB LEU A 19 -0.630 -1.448 -2.460 1.00 0.00 C ATOM 193 CG LEU A 19 0.347 -0.774 -1.449 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.748 -0.695 -1.946 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.126 0.572 -0.985 1.00 0.00 C ATOM 0 H LEU A 19 1.146 -0.429 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.522 -1.587 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.598 -1.520 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.273 -2.467 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 19 0.348 -1.439 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.374 -0.215 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.122 -1.700 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.775 -0.112 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.596 0.990 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.226 1.238 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.092 0.468 -0.492 1.00 0.00 H new ATOM 207 N GLU A 20 -2.947 0.462 -3.681 1.00 0.00 N ATOM 208 CA GLU A 20 -3.668 1.714 -3.769 1.00 0.00 C ATOM 209 C GLU A 20 -4.067 2.238 -2.402 1.00 0.00 C ATOM 210 O GLU A 20 -4.934 1.678 -1.765 1.00 0.00 O ATOM 211 CB GLU A 20 -4.882 1.555 -4.663 1.00 0.00 C ATOM 212 CG GLU A 20 -4.542 1.129 -6.082 1.00 0.00 C ATOM 213 CD GLU A 20 -5.698 1.271 -7.026 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.723 0.585 -6.865 1.00 0.00 O ATOM 215 OE2 GLU A 20 -5.626 2.120 -7.940 1.00 0.00 O ATOM 0 H GLU A 20 -3.510 -0.367 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.999 2.453 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.553 0.818 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.424 2.500 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.707 1.728 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.211 0.091 -6.075 1.00 0.00 H new ATOM 222 N ALA A 21 -3.427 3.290 -1.946 1.00 0.00 N ATOM 223 CA ALA A 21 -3.758 3.850 -0.637 1.00 0.00 C ATOM 224 C ALA A 21 -4.553 5.139 -0.786 1.00 0.00 C ATOM 225 O ALA A 21 -4.170 5.995 -1.567 1.00 0.00 O ATOM 226 CB ALA A 21 -2.500 4.089 0.168 1.00 0.00 C ATOM 0 H ALA A 21 -2.683 3.776 -2.447 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.378 3.130 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.764 4.506 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.973 3.145 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.855 4.788 -0.364 1.00 0.00 H new ATOM 232 N LEU A 22 -5.659 5.244 -0.050 1.00 0.00 N ATOM 233 CA LEU A 22 -6.577 6.393 -0.086 1.00 0.00 C ATOM 234 C LEU A 22 -6.217 7.361 0.987 1.00 0.00 C ATOM 235 O LEU A 22 -6.691 7.272 2.111 1.00 0.00 O ATOM 236 CB LEU A 22 -8.045 5.906 0.095 1.00 0.00 C ATOM 237 CG LEU A 22 -9.252 6.890 -0.091 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.449 7.878 1.045 1.00 0.00 C ATOM 239 CD2 LEU A 22 -9.163 7.617 -1.392 1.00 0.00 C ATOM 0 H LEU A 22 -5.953 4.519 0.604 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.491 6.891 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.196 5.081 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.122 5.493 1.101 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.133 6.248 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.306 8.516 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.627 7.335 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.556 8.494 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.014 8.291 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.238 8.193 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.172 6.899 -2.212 1.00 0.00 H new ATOM 251 N ASP A 23 -5.405 8.278 0.685 1.00 0.00 N ATOM 252 CA ASP A 23 -5.068 9.244 1.716 1.00 0.00 C ATOM 253 C ASP A 23 -5.153 10.606 1.229 1.00 0.00 C ATOM 254 O ASP A 23 -5.291 10.814 -0.015 1.00 0.00 O ATOM 255 CB ASP A 23 -3.726 9.050 2.402 1.00 0.00 C ATOM 256 CG ASP A 23 -3.658 7.948 3.446 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.408 6.780 3.120 1.00 0.00 O ATOM 258 OD2 ASP A 23 -3.829 8.271 4.658 1.00 0.00 O ATOM 0 H ASP A 23 -4.957 8.409 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.826 9.056 2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.977 8.844 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.445 9.990 2.877 1.00 0.00 H new ATOM 263 N TYR A 24 -5.187 11.512 2.262 1.00 0.00 N ATOM 264 CA TYR A 24 -5.196 13.010 2.321 1.00 0.00 C ATOM 265 C TYR A 24 -5.723 13.796 1.139 1.00 0.00 C ATOM 266 O TYR A 24 -6.465 14.753 1.304 1.00 0.00 O ATOM 267 CB TYR A 24 -3.943 13.619 2.990 1.00 0.00 C ATOM 268 CG TYR A 24 -2.608 13.451 2.299 1.00 0.00 C ATOM 269 CD1 TYR A 24 -1.930 12.240 2.303 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.008 14.534 1.677 1.00 0.00 C ATOM 271 CE1 TYR A 24 -0.697 12.115 1.697 1.00 0.00 C ATOM 272 CE2 TYR A 24 -0.776 14.420 1.078 1.00 0.00 C ATOM 273 CZ TYR A 24 -0.126 13.211 1.088 1.00 0.00 C ATOM 274 OH TYR A 24 1.104 13.108 0.504 1.00 0.00 O ATOM 0 H TYR A 24 -5.212 11.147 3.214 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.028 13.163 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.120 14.687 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.857 13.190 3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.374 11.383 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.518 15.486 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.183 11.165 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.322 15.277 0.602 1.00 0.00 H new ATOM 0 HH TYR A 24 1.287 12.169 0.291 1.00 0.00 H new ATOM 284 N LEU A 25 -5.365 13.395 -0.020 1.00 0.00 N ATOM 285 CA LEU A 25 -5.878 13.982 -1.233 1.00 0.00 C ATOM 286 C LEU A 25 -7.186 13.274 -1.512 1.00 0.00 C ATOM 287 O LEU A 25 -7.972 13.684 -2.365 1.00 0.00 O ATOM 288 CB LEU A 25 -4.939 13.708 -2.446 1.00 0.00 C ATOM 289 CG LEU A 25 -3.415 13.912 -2.319 1.00 0.00 C ATOM 290 CD1 LEU A 25 -3.087 15.268 -1.747 1.00 0.00 C ATOM 291 CD2 LEU A 25 -2.755 12.798 -1.511 1.00 0.00 C ATOM 0 H LEU A 25 -4.698 12.639 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.974 15.061 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.101 12.674 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.281 14.339 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.003 13.867 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.005 15.379 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.486 16.044 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.532 15.362 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.682 12.982 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.180 12.775 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.930 11.840 -2.001 1.00 0.00 H new ATOM 303 N GLN A 26 -7.366 12.170 -0.783 1.00 0.00 N ATOM 304 CA GLN A 26 -8.433 11.272 -0.944 1.00 0.00 C ATOM 305 C GLN A 26 -8.314 10.678 -2.264 1.00 0.00 C ATOM 306 O GLN A 26 -9.210 10.727 -3.104 1.00 0.00 O ATOM 307 CB GLN A 26 -9.795 11.843 -0.616 1.00 0.00 C ATOM 308 CG GLN A 26 -10.176 11.687 0.850 1.00 0.00 C ATOM 309 CD GLN A 26 -9.155 12.235 1.839 1.00 0.00 C ATOM 310 OE1 GLN A 26 -9.188 13.402 2.216 1.00 0.00 O ATOM 311 NE2 GLN A 26 -8.268 11.385 2.300 1.00 0.00 N ATOM 0 H GLN A 26 -6.724 11.896 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.357 10.483 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.810 12.901 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.546 11.351 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.129 12.189 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.332 10.629 1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.265 10.421 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.582 11.689 2.991 1.00 0.00 H new ATOM 320 N LYS A 27 -7.140 10.159 -2.462 1.00 0.00 N ATOM 321 CA LYS A 27 -6.811 9.513 -3.671 1.00 0.00 C ATOM 322 C LYS A 27 -6.363 8.181 -3.334 1.00 0.00 C ATOM 323 O LYS A 27 -5.649 8.029 -2.324 1.00 0.00 O ATOM 324 CB LYS A 27 -5.669 10.210 -4.411 1.00 0.00 C ATOM 325 CG LYS A 27 -5.970 11.598 -4.849 1.00 0.00 C ATOM 326 CD LYS A 27 -4.871 12.153 -5.730 1.00 0.00 C ATOM 327 CE LYS A 27 -5.230 13.531 -6.255 1.00 0.00 C ATOM 328 NZ LYS A 27 -6.466 13.508 -7.070 1.00 0.00 N ATOM 0 H LYS A 27 -6.386 10.178 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.688 9.521 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.793 10.230 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.405 9.616 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.915 11.612 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.095 12.237 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.941 12.208 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.696 11.477 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.361 14.216 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.406 13.916 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.515 14.369 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.458 12.673 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.295 13.466 -6.443 1.00 0.00 H new ATOM 342 N TRP A 28 -6.837 7.218 -4.089 1.00 0.00 N ATOM 343 CA TRP A 28 -6.327 5.882 -4.038 1.00 0.00 C ATOM 344 C TRP A 28 -5.093 5.870 -4.916 1.00 0.00 C ATOM 345 O TRP A 28 -5.128 5.462 -6.088 1.00 0.00 O ATOM 346 CB TRP A 28 -7.351 4.864 -4.550 1.00 0.00 C ATOM 347 CG TRP A 28 -8.571 4.705 -3.689 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.772 5.314 -3.829 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.676 3.876 -2.550 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.640 4.861 -2.854 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.974 3.978 -2.049 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.794 3.058 -1.922 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.394 3.255 -0.913 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -8.181 2.363 -0.824 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.451 2.444 -0.317 1.00 0.00 C ATOM 0 H TRP A 28 -7.594 7.348 -4.760 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.100 5.599 -3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.667 5.160 -5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.862 3.894 -4.644 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.015 6.043 -4.588 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.616 5.139 -2.751 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.786 2.961 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.401 3.332 -0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.463 1.723 -0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.716 1.868 0.557 1.00 0.00 H new ATOM 366 N TYR A 29 -4.044 6.395 -4.389 1.00 0.00 N ATOM 367 CA TYR A 29 -2.858 6.617 -5.139 1.00 0.00 C ATOM 368 C TYR A 29 -1.919 5.419 -5.090 1.00 0.00 C ATOM 369 O TYR A 29 -1.854 4.693 -4.070 1.00 0.00 O ATOM 370 CB TYR A 29 -2.199 7.959 -4.721 1.00 0.00 C ATOM 371 CG TYR A 29 -1.963 8.144 -3.247 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.162 7.283 -2.503 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.543 9.205 -2.605 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.960 7.495 -1.162 1.00 0.00 C ATOM 375 CE2 TYR A 29 -2.337 9.433 -1.284 1.00 0.00 C ATOM 376 CZ TYR A 29 -1.539 8.571 -0.560 1.00 0.00 C ATOM 377 OH TYR A 29 -1.293 8.810 0.755 1.00 0.00 O ATOM 0 H TYR A 29 -3.984 6.686 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.120 6.717 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.243 8.048 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.828 8.776 -5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.694 6.438 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.179 9.876 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.347 6.815 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.795 10.284 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.277 9.777 0.914 1.00 0.00 H new ATOM 387 N PRO A 30 -1.214 5.167 -6.203 1.00 0.00 N ATOM 388 CA PRO A 30 -0.302 4.050 -6.315 1.00 0.00 C ATOM 389 C PRO A 30 0.906 4.205 -5.405 1.00 0.00 C ATOM 390 O PRO A 30 1.758 5.084 -5.592 1.00 0.00 O ATOM 391 CB PRO A 30 0.124 4.054 -7.785 1.00 0.00 C ATOM 392 CG PRO A 30 -0.116 5.442 -8.255 1.00 0.00 C ATOM 393 CD PRO A 30 -1.267 5.959 -7.452 1.00 0.00 C ATOM 0 HA PRO A 30 -0.774 3.115 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.173 3.778 -7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.456 3.336 -8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.769 6.061 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.346 5.458 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.168 7.026 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.213 5.819 -7.974 1.00 0.00 H new ATOM 401 N SER A 31 0.937 3.405 -4.415 1.00 0.00 N ATOM 402 CA SER A 31 2.010 3.366 -3.498 1.00 0.00 C ATOM 403 C SER A 31 2.778 2.081 -3.792 1.00 0.00 C ATOM 404 O SER A 31 2.288 1.255 -4.522 1.00 0.00 O ATOM 405 CB SER A 31 1.421 3.405 -2.114 1.00 0.00 C ATOM 406 OG SER A 31 0.587 4.541 -1.984 1.00 0.00 O ATOM 0 H SER A 31 0.194 2.736 -4.210 1.00 0.00 H new ATOM 0 HA SER A 31 2.700 4.206 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.848 2.497 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.217 3.439 -1.370 1.00 0.00 H new ATOM 0 HG SER A 31 0.621 4.868 -1.061 1.00 0.00 H new ATOM 412 N ARG A 32 3.952 1.900 -3.266 1.00 0.00 N ATOM 413 CA ARG A 32 4.758 0.757 -3.682 1.00 0.00 C ATOM 414 C ARG A 32 5.083 -0.158 -2.506 1.00 0.00 C ATOM 415 O ARG A 32 5.425 0.316 -1.421 1.00 0.00 O ATOM 416 CB ARG A 32 6.052 1.268 -4.321 1.00 0.00 C ATOM 417 CG ARG A 32 5.814 2.360 -5.335 1.00 0.00 C ATOM 418 CD ARG A 32 7.083 2.888 -5.979 1.00 0.00 C ATOM 419 NE ARG A 32 6.761 3.927 -6.974 1.00 0.00 N ATOM 420 CZ ARG A 32 7.400 5.098 -7.127 1.00 0.00 C ATOM 421 NH1 ARG A 32 8.469 5.392 -6.391 1.00 0.00 N ATOM 422 NH2 ARG A 32 6.968 5.967 -8.032 1.00 0.00 N ATOM 0 H ARG A 32 4.379 2.504 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 32 4.187 0.173 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.714 1.642 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.566 0.437 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.153 1.981 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.294 3.186 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.742 3.299 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.622 2.071 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 32 5.981 3.739 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.812 4.724 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.945 6.285 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.155 5.744 -8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.449 6.858 -8.153 1.00 0.00 H new ATOM 436 N ILE A 33 4.937 -1.455 -2.715 1.00 0.00 N ATOM 437 CA ILE A 33 5.271 -2.459 -1.700 1.00 0.00 C ATOM 438 C ILE A 33 6.791 -2.638 -1.654 1.00 0.00 C ATOM 439 O ILE A 33 7.425 -2.660 -2.689 1.00 0.00 O ATOM 440 CB ILE A 33 4.633 -3.849 -2.031 1.00 0.00 C ATOM 441 CG1 ILE A 33 3.106 -3.757 -2.148 1.00 0.00 C ATOM 442 CG2 ILE A 33 5.012 -4.868 -0.973 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.419 -5.068 -2.495 1.00 0.00 C ATOM 0 H ILE A 33 4.585 -1.849 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 33 4.880 -2.109 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 33 5.025 -4.170 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.704 -3.390 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.857 -3.018 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.561 -5.830 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.096 -4.973 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.651 -4.534 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.342 -4.909 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.788 -5.429 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.633 -5.807 -1.722 1.00 0.00 H new ATOM 455 N GLU A 34 7.363 -2.742 -0.474 1.00 0.00 N ATOM 456 CA GLU A 34 8.794 -2.984 -0.366 1.00 0.00 C ATOM 457 C GLU A 34 9.082 -4.282 0.427 1.00 0.00 C ATOM 458 O GLU A 34 10.188 -4.818 0.392 1.00 0.00 O ATOM 459 CB GLU A 34 9.480 -1.763 0.260 1.00 0.00 C ATOM 460 CG GLU A 34 10.994 -1.767 0.194 1.00 0.00 C ATOM 461 CD GLU A 34 11.476 -1.731 -1.235 1.00 0.00 C ATOM 462 OE1 GLU A 34 11.171 -0.747 -1.947 1.00 0.00 O ATOM 463 OE2 GLU A 34 12.161 -2.664 -1.684 1.00 0.00 O ATOM 0 H GLU A 34 6.871 -2.665 0.416 1.00 0.00 H new ATOM 0 HA GLU A 34 9.207 -3.130 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.113 -0.866 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.178 -1.693 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.387 -0.906 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.380 -2.658 0.689 1.00 0.00 H new ATOM 470 N LYS A 35 8.071 -4.796 1.097 1.00 0.00 N ATOM 471 CA LYS A 35 8.187 -6.016 1.895 1.00 0.00 C ATOM 472 C LYS A 35 6.775 -6.503 2.165 1.00 0.00 C ATOM 473 O LYS A 35 5.899 -5.682 2.396 1.00 0.00 O ATOM 474 CB LYS A 35 8.927 -5.688 3.213 1.00 0.00 C ATOM 475 CG LYS A 35 9.172 -6.849 4.156 1.00 0.00 C ATOM 476 CD LYS A 35 9.957 -6.389 5.382 1.00 0.00 C ATOM 477 CE LYS A 35 10.188 -7.523 6.363 1.00 0.00 C ATOM 478 NZ LYS A 35 10.956 -7.089 7.555 1.00 0.00 N ATOM 0 H LYS A 35 7.138 -4.383 1.108 1.00 0.00 H new ATOM 0 HA LYS A 35 8.754 -6.790 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.890 -5.243 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.354 -4.930 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.220 -7.279 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.723 -7.635 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.917 -5.981 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.416 -5.584 5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.227 -7.927 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.724 -8.330 5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.089 -7.897 8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.884 -6.727 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.434 -6.337 8.049 1.00 0.00 H new ATOM 492 N ILE A 36 6.525 -7.799 2.092 1.00 0.00 N ATOM 493 CA ILE A 36 5.165 -8.302 2.287 1.00 0.00 C ATOM 494 C ILE A 36 5.129 -9.321 3.429 1.00 0.00 C ATOM 495 O ILE A 36 6.102 -10.046 3.660 1.00 0.00 O ATOM 496 CB ILE A 36 4.601 -8.997 0.994 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.883 -8.151 -0.253 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.089 -9.214 1.129 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.383 -8.751 -1.556 1.00 0.00 C ATOM 0 H ILE A 36 7.227 -8.515 1.903 1.00 0.00 H new ATOM 0 HA ILE A 36 4.545 -7.437 2.524 1.00 0.00 H new ATOM 0 HB ILE A 36 5.102 -9.959 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.425 -7.171 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.958 -7.992 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.709 -9.696 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.888 -9.848 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.594 -8.252 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.628 -8.083 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.860 -9.718 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.302 -8.884 -1.504 1.00 0.00 H new ATOM 511 N ASP A 37 4.039 -9.330 4.153 1.00 0.00 N ATOM 512 CA ASP A 37 3.772 -10.308 5.184 1.00 0.00 C ATOM 513 C ASP A 37 2.450 -10.962 4.821 1.00 0.00 C ATOM 514 O ASP A 37 1.453 -10.268 4.647 1.00 0.00 O ATOM 515 CB ASP A 37 3.639 -9.627 6.559 1.00 0.00 C ATOM 516 CG ASP A 37 3.541 -10.608 7.699 1.00 0.00 C ATOM 517 OD1 ASP A 37 2.562 -11.336 7.777 1.00 0.00 O ATOM 518 OD2 ASP A 37 4.466 -10.640 8.553 1.00 0.00 O ATOM 0 H ASP A 37 3.293 -8.643 4.042 1.00 0.00 H new ATOM 0 HA ASP A 37 4.584 -11.032 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.499 -8.977 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.754 -8.991 6.558 1.00 0.00 H new ATOM 523 N TYR A 38 2.443 -12.258 4.678 1.00 0.00 N ATOM 524 CA TYR A 38 1.247 -12.999 4.298 1.00 0.00 C ATOM 525 C TYR A 38 0.753 -13.778 5.504 1.00 0.00 C ATOM 526 O TYR A 38 -0.324 -14.393 5.478 1.00 0.00 O ATOM 527 CB TYR A 38 1.550 -14.011 3.179 1.00 0.00 C ATOM 528 CG TYR A 38 2.322 -13.479 1.993 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.708 -13.503 1.992 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.677 -12.982 0.874 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.432 -13.044 0.923 1.00 0.00 C ATOM 532 CE2 TYR A 38 2.395 -12.524 -0.213 1.00 0.00 C ATOM 533 CZ TYR A 38 3.773 -12.556 -0.182 1.00 0.00 C ATOM 534 OH TYR A 38 4.495 -12.097 -1.268 1.00 0.00 O ATOM 0 H TYR A 38 3.266 -12.844 4.820 1.00 0.00 H new ATOM 0 HA TYR A 38 0.502 -12.286 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.111 -14.841 3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.605 -14.418 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.229 -13.893 2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.598 -12.952 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.512 -13.065 0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.880 -12.143 -1.082 1.00 0.00 H new ATOM 0 HH TYR A 38 3.878 -11.788 -1.964 1.00 0.00 H new ATOM 544 N GLU A 39 1.558 -13.776 6.548 1.00 0.00 N ATOM 545 CA GLU A 39 1.245 -14.486 7.780 1.00 0.00 C ATOM 546 C GLU A 39 0.153 -13.735 8.510 1.00 0.00 C ATOM 547 O GLU A 39 -0.848 -14.312 8.950 1.00 0.00 O ATOM 548 CB GLU A 39 2.495 -14.603 8.652 1.00 0.00 C ATOM 549 CG GLU A 39 3.648 -15.299 7.954 1.00 0.00 C ATOM 550 CD GLU A 39 4.885 -15.387 8.797 1.00 0.00 C ATOM 551 OE1 GLU A 39 5.711 -14.440 8.782 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.082 -16.404 9.471 1.00 0.00 O ATOM 0 H GLU A 39 2.450 -13.282 6.570 1.00 0.00 H new ATOM 0 HA GLU A 39 0.900 -15.494 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.812 -13.606 8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.246 -15.150 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.338 -16.305 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.882 -14.765 7.033 1.00 0.00 H new ATOM 559 N GLU A 40 0.352 -12.461 8.611 1.00 0.00 N ATOM 560 CA GLU A 40 -0.595 -11.544 9.172 1.00 0.00 C ATOM 561 C GLU A 40 -1.382 -10.961 8.019 1.00 0.00 C ATOM 562 O GLU A 40 -2.617 -10.875 8.042 1.00 0.00 O ATOM 563 CB GLU A 40 0.162 -10.433 9.899 1.00 0.00 C ATOM 564 CG GLU A 40 -0.702 -9.311 10.430 1.00 0.00 C ATOM 565 CD GLU A 40 -1.665 -9.756 11.514 1.00 0.00 C ATOM 566 OE1 GLU A 40 -1.268 -9.789 12.692 1.00 0.00 O ATOM 567 OE2 GLU A 40 -2.836 -10.072 11.206 1.00 0.00 O ATOM 0 H GLU A 40 1.210 -12.010 8.294 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.260 -12.038 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.711 -10.873 10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.900 -10.011 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.060 -8.523 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.269 -8.877 9.606 1.00 0.00 H new ATOM 574 N GLY A 41 -0.658 -10.606 6.995 1.00 0.00 N ATOM 575 CA GLY A 41 -1.263 -10.035 5.844 1.00 0.00 C ATOM 576 C GLY A 41 -1.221 -8.532 5.875 1.00 0.00 C ATOM 577 O GLY A 41 -2.249 -7.859 6.027 1.00 0.00 O ATOM 0 H GLY A 41 0.356 -10.706 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.753 -10.394 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.299 -10.368 5.775 1.00 0.00 H new ATOM 581 N LYS A 42 -0.030 -8.019 5.737 1.00 0.00 N ATOM 582 CA LYS A 42 0.250 -6.600 5.724 1.00 0.00 C ATOM 583 C LYS A 42 1.513 -6.389 4.941 1.00 0.00 C ATOM 584 O LYS A 42 2.272 -7.331 4.752 1.00 0.00 O ATOM 585 CB LYS A 42 0.371 -6.010 7.157 1.00 0.00 C ATOM 586 CG LYS A 42 1.361 -6.686 8.102 1.00 0.00 C ATOM 587 CD LYS A 42 1.368 -5.965 9.448 1.00 0.00 C ATOM 588 CE LYS A 42 2.177 -6.687 10.532 1.00 0.00 C ATOM 589 NZ LYS A 42 3.646 -6.687 10.310 1.00 0.00 N ATOM 0 H LYS A 42 0.806 -8.593 5.626 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.581 -6.072 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.649 -4.960 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.615 -6.040 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.088 -7.732 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.360 -6.672 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.775 -4.963 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.340 -5.848 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.968 -6.220 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.833 -7.719 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.115 -7.195 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.861 -7.159 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.992 -5.707 10.278 1.00 0.00 H new ATOM 603 N MET A 43 1.741 -5.212 4.452 1.00 0.00 N ATOM 604 CA MET A 43 2.944 -4.979 3.701 1.00 0.00 C ATOM 605 C MET A 43 3.585 -3.679 4.095 1.00 0.00 C ATOM 606 O MET A 43 2.939 -2.800 4.711 1.00 0.00 O ATOM 607 CB MET A 43 2.705 -5.016 2.167 1.00 0.00 C ATOM 608 CG MET A 43 2.012 -3.788 1.557 1.00 0.00 C ATOM 609 SD MET A 43 0.357 -3.486 2.185 1.00 0.00 S ATOM 610 CE MET A 43 -0.452 -5.025 1.778 1.00 0.00 C ATOM 0 H MET A 43 1.125 -4.406 4.554 1.00 0.00 H new ATOM 0 HA MET A 43 3.623 -5.796 3.945 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.668 -5.146 1.674 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.107 -5.897 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.626 -2.907 1.746 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.960 -3.914 0.476 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.525 -4.927 1.943 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.266 -5.268 0.732 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.059 -5.821 2.411 1.00 0.00 H new ATOM 620 N LEU A 44 4.857 -3.592 3.784 1.00 0.00 N ATOM 621 CA LEU A 44 5.635 -2.409 3.966 1.00 0.00 C ATOM 622 C LEU A 44 5.378 -1.587 2.740 1.00 0.00 C ATOM 623 O LEU A 44 5.721 -2.000 1.612 1.00 0.00 O ATOM 624 CB LEU A 44 7.147 -2.762 4.065 1.00 0.00 C ATOM 625 CG LEU A 44 8.149 -1.668 4.560 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.195 -0.446 3.663 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.844 -1.261 5.982 1.00 0.00 C ATOM 0 H LEU A 44 5.385 -4.369 3.387 1.00 0.00 H new ATOM 0 HA LEU A 44 5.370 -1.882 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.242 -3.620 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.475 -3.086 3.077 1.00 0.00 H new ATOM 0 HG LEU A 44 9.138 -2.125 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.909 0.273 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.502 -0.742 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.206 0.011 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.555 -0.499 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.832 -0.859 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.925 -2.130 6.635 1.00 0.00 H new ATOM 639 N VAL A 45 4.763 -0.496 2.931 1.00 0.00 N ATOM 640 CA VAL A 45 4.411 0.364 1.875 1.00 0.00 C ATOM 641 C VAL A 45 5.210 1.651 1.906 1.00 0.00 C ATOM 642 O VAL A 45 5.419 2.259 2.979 1.00 0.00 O ATOM 643 CB VAL A 45 2.876 0.664 1.868 1.00 0.00 C ATOM 644 CG1 VAL A 45 2.393 1.088 3.235 1.00 0.00 C ATOM 645 CG2 VAL A 45 2.535 1.742 0.859 1.00 0.00 C ATOM 0 H VAL A 45 4.480 -0.162 3.852 1.00 0.00 H new ATOM 0 HA VAL A 45 4.657 -0.155 0.949 1.00 0.00 H new ATOM 0 HB VAL A 45 2.372 -0.260 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.322 1.289 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.587 0.291 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.921 1.990 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.461 1.930 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.068 2.659 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.830 1.414 -0.138 1.00 0.00 H new ATOM 655 N HIS A 46 5.696 2.008 0.738 1.00 0.00 N ATOM 656 CA HIS A 46 6.262 3.292 0.488 1.00 0.00 C ATOM 657 C HIS A 46 5.397 3.991 -0.511 1.00 0.00 C ATOM 658 O HIS A 46 5.293 3.573 -1.658 1.00 0.00 O ATOM 659 CB HIS A 46 7.744 3.296 0.063 1.00 0.00 C ATOM 660 CG HIS A 46 8.176 2.354 -0.986 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.565 2.751 -2.223 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.408 1.049 -0.926 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.034 1.715 -2.876 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.948 0.671 -2.115 1.00 0.00 N ATOM 0 H HIS A 46 5.703 1.392 -0.075 1.00 0.00 H new ATOM 0 HA HIS A 46 6.280 3.825 1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.990 4.303 -0.274 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.345 3.101 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.205 0.403 -0.084 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.427 1.730 -3.882 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.237 -0.275 -2.365 1.00 0.00 H new ATOM 673 N PHE A 47 4.736 5.001 -0.062 1.00 0.00 N ATOM 674 CA PHE A 47 3.778 5.733 -0.863 1.00 0.00 C ATOM 675 C PHE A 47 4.511 6.646 -1.840 1.00 0.00 C ATOM 676 O PHE A 47 5.741 6.747 -1.812 1.00 0.00 O ATOM 677 CB PHE A 47 2.878 6.590 0.052 1.00 0.00 C ATOM 678 CG PHE A 47 2.183 5.847 1.181 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.890 5.446 2.307 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.826 5.585 1.135 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.264 4.806 3.347 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.198 4.937 2.177 1.00 0.00 C ATOM 683 CZ PHE A 47 0.918 4.550 3.281 1.00 0.00 C ATOM 0 H PHE A 47 4.838 5.359 0.888 1.00 0.00 H new ATOM 0 HA PHE A 47 3.165 5.022 -1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.485 7.385 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.117 7.069 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.951 5.641 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.252 5.891 0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.830 4.504 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.861 4.733 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.424 4.044 4.097 1.00 0.00 H new ATOM 693 N GLU A 48 3.778 7.273 -2.706 1.00 0.00 N ATOM 694 CA GLU A 48 4.341 8.259 -3.590 1.00 0.00 C ATOM 695 C GLU A 48 3.807 9.603 -3.144 1.00 0.00 C ATOM 696 O GLU A 48 2.631 9.923 -3.386 1.00 0.00 O ATOM 697 CB GLU A 48 4.004 7.956 -5.053 1.00 0.00 C ATOM 698 CG GLU A 48 4.559 8.970 -6.038 1.00 0.00 C ATOM 699 CD GLU A 48 4.334 8.577 -7.472 1.00 0.00 C ATOM 700 OE1 GLU A 48 3.203 8.166 -7.825 1.00 0.00 O ATOM 701 OE2 GLU A 48 5.291 8.634 -8.280 1.00 0.00 O ATOM 0 H GLU A 48 2.776 7.121 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 48 5.430 8.253 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.390 6.969 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.921 7.912 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.094 9.939 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.628 9.091 -5.863 1.00 0.00 H new ATOM 708 N ARG A 49 4.674 10.341 -2.442 1.00 0.00 N ATOM 709 CA ARG A 49 4.351 11.593 -1.759 1.00 0.00 C ATOM 710 C ARG A 49 3.539 11.285 -0.508 1.00 0.00 C ATOM 711 O ARG A 49 2.327 11.054 -0.561 1.00 0.00 O ATOM 712 CB ARG A 49 3.661 12.638 -2.667 1.00 0.00 C ATOM 713 CG ARG A 49 3.339 14.001 -2.014 1.00 0.00 C ATOM 714 CD ARG A 49 4.591 14.770 -1.545 1.00 0.00 C ATOM 715 NE ARG A 49 5.182 14.237 -0.300 1.00 0.00 N ATOM 716 CZ ARG A 49 6.499 14.139 -0.040 1.00 0.00 C ATOM 717 NH1 ARG A 49 7.393 14.631 -0.898 1.00 0.00 N ATOM 718 NH2 ARG A 49 6.907 13.595 1.104 1.00 0.00 N ATOM 0 H ARG A 49 5.652 10.072 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 49 5.289 12.067 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.299 12.815 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.731 12.208 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.791 14.616 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.681 13.839 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.342 14.741 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.328 15.817 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 49 4.538 13.916 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.080 15.084 -1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.390 14.554 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.223 13.254 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.904 13.519 1.305 1.00 0.00 H new ATOM 732 N TRP A 50 4.241 11.202 0.590 1.00 0.00 N ATOM 733 CA TRP A 50 3.679 10.896 1.885 1.00 0.00 C ATOM 734 C TRP A 50 4.584 11.485 2.958 1.00 0.00 C ATOM 735 O TRP A 50 5.809 11.505 2.798 1.00 0.00 O ATOM 736 CB TRP A 50 3.586 9.376 1.996 1.00 0.00 C ATOM 737 CG TRP A 50 3.265 8.801 3.335 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.162 8.332 4.231 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.976 8.586 3.916 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.523 7.824 5.324 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.188 7.976 5.165 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.672 8.844 3.511 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.154 7.618 6.006 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.358 8.486 4.353 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.106 7.878 5.590 1.00 0.00 C ATOM 0 H TRP A 50 5.250 11.349 0.612 1.00 0.00 H new ATOM 0 HA TRP A 50 2.685 11.324 2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.827 9.033 1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.537 8.956 1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.234 8.356 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.978 7.398 6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.471 9.314 2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.344 7.148 6.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.378 8.677 4.054 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.937 7.611 6.226 1.00 0.00 H new ATOM 756 N SER A 51 4.007 11.998 4.007 1.00 0.00 N ATOM 757 CA SER A 51 4.767 12.587 5.069 1.00 0.00 C ATOM 758 C SER A 51 4.510 11.887 6.397 1.00 0.00 C ATOM 759 O SER A 51 3.513 12.172 7.078 1.00 0.00 O ATOM 760 CB SER A 51 4.453 14.075 5.186 1.00 0.00 C ATOM 761 OG SER A 51 4.712 14.758 3.961 1.00 0.00 O ATOM 0 H SER A 51 2.997 12.019 4.149 1.00 0.00 H new ATOM 0 HA SER A 51 5.823 12.465 4.827 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.407 14.207 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.053 14.514 5.983 1.00 0.00 H new ATOM 0 HG SER A 51 4.500 15.709 4.066 1.00 0.00 H new ATOM 767 N HIS A 52 5.363 10.929 6.710 1.00 0.00 N ATOM 768 CA HIS A 52 5.368 10.231 7.985 1.00 0.00 C ATOM 769 C HIS A 52 6.526 9.263 7.962 1.00 0.00 C ATOM 770 O HIS A 52 7.525 9.451 8.646 1.00 0.00 O ATOM 771 CB HIS A 52 4.053 9.462 8.246 1.00 0.00 C ATOM 772 CG HIS A 52 3.847 9.072 9.687 1.00 0.00 C ATOM 773 ND1 HIS A 52 3.175 9.864 10.578 1.00 0.00 N ATOM 774 CD2 HIS A 52 4.213 7.968 10.380 1.00 0.00 C ATOM 775 CE1 HIS A 52 3.136 9.282 11.747 1.00 0.00 C ATOM 776 NE2 HIS A 52 3.754 8.125 11.661 1.00 0.00 N ATOM 0 H HIS A 52 6.089 10.606 6.070 1.00 0.00 H new ATOM 0 HA HIS A 52 5.465 10.962 8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.214 10.078 7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.042 8.562 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.764 7.122 9.995 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.673 9.684 12.636 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.872 7.456 12.422 1.00 0.00 H new ATOM 785 N ARG A 53 6.401 8.258 7.120 1.00 0.00 N ATOM 786 CA ARG A 53 7.389 7.200 6.943 1.00 0.00 C ATOM 787 C ARG A 53 7.139 6.543 5.626 1.00 0.00 C ATOM 788 O ARG A 53 5.998 6.254 5.306 1.00 0.00 O ATOM 789 CB ARG A 53 7.271 6.079 7.996 1.00 0.00 C ATOM 790 CG ARG A 53 7.606 6.437 9.419 1.00 0.00 C ATOM 791 CD ARG A 53 7.564 5.208 10.313 1.00 0.00 C ATOM 792 NE ARG A 53 6.282 4.489 10.220 1.00 0.00 N ATOM 793 CZ ARG A 53 5.481 4.219 11.262 1.00 0.00 C ATOM 794 NH1 ARG A 53 5.746 4.733 12.466 1.00 0.00 N ATOM 795 NH2 ARG A 53 4.385 3.484 11.089 1.00 0.00 N ATOM 0 H ARG A 53 5.585 8.146 6.518 1.00 0.00 H new ATOM 0 HA ARG A 53 8.369 7.669 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.249 5.700 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.921 5.259 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.597 6.888 9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.901 7.183 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.376 4.534 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.735 5.508 11.347 1.00 0.00 H new ATOM 0 HE ARG A 53 5.982 4.174 9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.560 5.334 12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.134 4.525 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.153 3.125 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.777 3.280 11.882 1.00 0.00 H new ATOM 809 N TYR A 54 8.176 6.277 4.883 1.00 0.00 N ATOM 810 CA TYR A 54 8.035 5.502 3.667 1.00 0.00 C ATOM 811 C TYR A 54 8.194 4.026 3.979 1.00 0.00 C ATOM 812 O TYR A 54 8.234 3.177 3.103 1.00 0.00 O ATOM 813 CB TYR A 54 8.957 5.979 2.541 1.00 0.00 C ATOM 814 CG TYR A 54 8.441 7.232 1.867 1.00 0.00 C ATOM 815 CD1 TYR A 54 7.167 7.250 1.325 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.209 8.381 1.759 1.00 0.00 C ATOM 817 CE1 TYR A 54 6.670 8.365 0.702 1.00 0.00 C ATOM 818 CE2 TYR A 54 8.714 9.513 1.130 1.00 0.00 C ATOM 819 CZ TYR A 54 7.438 9.493 0.605 1.00 0.00 C ATOM 820 OH TYR A 54 6.923 10.604 -0.021 1.00 0.00 O ATOM 0 H TYR A 54 9.127 6.581 5.090 1.00 0.00 H new ATOM 0 HA TYR A 54 7.029 5.660 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.951 6.170 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.061 5.187 1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.551 6.366 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.207 8.395 2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.673 8.353 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.322 10.402 1.052 1.00 0.00 H new ATOM 0 HH TYR A 54 7.588 11.324 -0.009 1.00 0.00 H new ATOM 830 N ASP A 55 8.297 3.757 5.250 1.00 0.00 N ATOM 831 CA ASP A 55 8.259 2.428 5.775 1.00 0.00 C ATOM 832 C ASP A 55 7.010 2.314 6.611 1.00 0.00 C ATOM 833 O ASP A 55 7.049 2.496 7.842 1.00 0.00 O ATOM 834 CB ASP A 55 9.485 2.093 6.648 1.00 0.00 C ATOM 835 CG ASP A 55 10.793 1.990 5.901 1.00 0.00 C ATOM 836 OD1 ASP A 55 11.422 3.039 5.629 1.00 0.00 O ATOM 837 OD2 ASP A 55 11.247 0.847 5.611 1.00 0.00 O ATOM 0 H ASP A 55 8.412 4.476 5.964 1.00 0.00 H new ATOM 0 HA ASP A 55 8.267 1.724 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.583 2.858 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.301 1.148 7.159 1.00 0.00 H new ATOM 842 N GLU A 56 5.887 2.146 5.964 1.00 0.00 N ATOM 843 CA GLU A 56 4.640 2.025 6.680 1.00 0.00 C ATOM 844 C GLU A 56 4.136 0.589 6.570 1.00 0.00 C ATOM 845 O GLU A 56 4.387 -0.069 5.577 1.00 0.00 O ATOM 846 CB GLU A 56 3.603 3.033 6.129 1.00 0.00 C ATOM 847 CG GLU A 56 2.282 3.042 6.868 1.00 0.00 C ATOM 848 CD GLU A 56 2.432 3.412 8.320 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.757 2.536 9.139 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.198 4.581 8.678 1.00 0.00 O ATOM 0 H GLU A 56 5.807 2.090 4.949 1.00 0.00 H new ATOM 0 HA GLU A 56 4.795 2.260 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.033 4.034 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.416 2.806 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.605 3.747 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.822 2.057 6.794 1.00 0.00 H new ATOM 857 N TRP A 57 3.471 0.106 7.592 1.00 0.00 N ATOM 858 CA TRP A 57 2.928 -1.244 7.590 1.00 0.00 C ATOM 859 C TRP A 57 1.435 -1.203 7.585 1.00 0.00 C ATOM 860 O TRP A 57 0.826 -0.786 8.575 1.00 0.00 O ATOM 861 CB TRP A 57 3.386 -2.041 8.803 1.00 0.00 C ATOM 862 CG TRP A 57 4.805 -2.457 8.766 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.849 -1.876 9.409 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.335 -3.564 8.040 1.00 0.00 C ATOM 865 NE1 TRP A 57 6.999 -2.573 9.148 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.710 -3.609 8.297 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.772 -4.523 7.199 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.533 -4.578 7.742 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.589 -5.479 6.647 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.955 -5.502 6.920 1.00 0.00 C ATOM 0 H TRP A 57 3.288 0.630 8.448 1.00 0.00 H new ATOM 0 HA TRP A 57 3.297 -1.733 6.689 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.220 -1.442 9.699 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.762 -2.930 8.894 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.783 -0.997 10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.921 -2.356 9.526 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.713 -4.514 6.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.592 -4.601 7.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.166 -6.225 5.991 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.570 -6.268 6.471 1.00 0.00 H new ATOM 881 N ILE A 58 0.830 -1.629 6.517 1.00 0.00 N ATOM 882 CA ILE A 58 -0.619 -1.592 6.435 1.00 0.00 C ATOM 883 C ILE A 58 -1.143 -2.966 6.060 1.00 0.00 C ATOM 884 O ILE A 58 -0.552 -3.645 5.227 1.00 0.00 O ATOM 885 CB ILE A 58 -1.132 -0.565 5.378 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.488 0.807 5.577 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.652 -0.426 5.477 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.893 1.822 4.528 1.00 0.00 C ATOM 0 H ILE A 58 1.301 -2.004 5.693 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.985 -1.284 7.415 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.856 -0.938 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.758 1.187 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.596 0.696 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.001 0.293 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.119 -1.394 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.921 -0.078 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.399 2.772 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.598 1.463 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.974 1.962 4.555 1.00 0.00 H new ATOM 900 N TYR A 59 -2.198 -3.392 6.721 1.00 0.00 N ATOM 901 CA TYR A 59 -2.876 -4.635 6.380 1.00 0.00 C ATOM 902 C TYR A 59 -3.666 -4.404 5.093 1.00 0.00 C ATOM 903 O TYR A 59 -4.175 -3.290 4.878 1.00 0.00 O ATOM 904 CB TYR A 59 -3.902 -5.009 7.457 1.00 0.00 C ATOM 905 CG TYR A 59 -3.414 -5.086 8.885 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.898 -6.253 9.416 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.523 -3.985 9.716 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.504 -6.315 10.742 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.124 -4.034 11.031 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.621 -5.198 11.542 1.00 0.00 C ATOM 911 OH TYR A 59 -2.230 -5.248 12.861 1.00 0.00 O ATOM 0 H TYR A 59 -2.613 -2.892 7.508 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.130 -5.423 6.283 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.713 -4.282 7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.329 -5.977 7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.801 -7.127 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.931 -3.066 9.323 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.107 -7.234 11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.208 -3.158 11.657 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.379 -4.375 13.280 1.00 0.00 H new ATOM 921 N TRP A 60 -3.789 -5.416 4.253 1.00 0.00 N ATOM 922 CA TRP A 60 -4.607 -5.269 3.061 1.00 0.00 C ATOM 923 C TRP A 60 -6.070 -5.073 3.401 1.00 0.00 C ATOM 924 O TRP A 60 -6.688 -5.904 4.096 1.00 0.00 O ATOM 925 CB TRP A 60 -4.386 -6.355 1.994 1.00 0.00 C ATOM 926 CG TRP A 60 -3.999 -7.709 2.492 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.655 -8.499 3.390 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.863 -8.448 2.061 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.969 -9.670 3.564 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.864 -9.664 2.752 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.835 -8.185 1.156 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.869 -10.623 2.564 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.858 -9.127 0.973 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.878 -10.325 1.669 1.00 0.00 C ATOM 0 H TRP A 60 -3.346 -6.327 4.368 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.256 -4.353 2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.303 -6.454 1.413 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.611 -6.009 1.310 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.577 -8.239 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.236 -10.425 4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.810 -7.254 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.880 -11.560 3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.058 -8.933 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.089 -11.043 1.500 1.00 0.00 H new ATOM 945 N ASP A 61 -6.588 -3.944 2.918 1.00 0.00 N ATOM 946 CA ASP A 61 -7.935 -3.448 3.177 1.00 0.00 C ATOM 947 C ASP A 61 -8.383 -3.543 4.603 1.00 0.00 C ATOM 948 O ASP A 61 -9.222 -4.353 4.973 1.00 0.00 O ATOM 949 CB ASP A 61 -9.040 -3.748 2.108 1.00 0.00 C ATOM 950 CG ASP A 61 -9.322 -5.215 1.809 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.411 -5.965 1.454 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.503 -5.628 1.862 1.00 0.00 O ATOM 0 H ASP A 61 -6.054 -3.324 2.309 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.790 -2.380 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.969 -3.284 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.754 -3.260 1.176 1.00 0.00 H new ATOM 957 N SER A 62 -7.737 -2.745 5.417 1.00 0.00 N ATOM 958 CA SER A 62 -8.036 -2.658 6.810 1.00 0.00 C ATOM 959 C SER A 62 -8.386 -1.203 7.188 1.00 0.00 C ATOM 960 O SER A 62 -8.838 -0.924 8.307 1.00 0.00 O ATOM 961 CB SER A 62 -6.809 -3.145 7.595 1.00 0.00 C ATOM 962 OG SER A 62 -7.048 -3.225 8.991 1.00 0.00 O ATOM 0 H SER A 62 -6.979 -2.132 5.118 1.00 0.00 H new ATOM 0 HA SER A 62 -8.897 -3.280 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.512 -4.126 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.974 -2.469 7.412 1.00 0.00 H new ATOM 0 HG SER A 62 -7.701 -2.542 9.251 1.00 0.00 H new ATOM 968 N ASN A 63 -8.235 -0.284 6.246 1.00 0.00 N ATOM 969 CA ASN A 63 -8.435 1.135 6.532 1.00 0.00 C ATOM 970 C ASN A 63 -8.693 1.965 5.278 1.00 0.00 C ATOM 971 O ASN A 63 -9.813 2.397 5.043 1.00 0.00 O ATOM 972 CB ASN A 63 -7.287 1.737 7.409 1.00 0.00 C ATOM 973 CG ASN A 63 -5.857 1.406 6.948 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.584 1.198 5.769 1.00 0.00 O ATOM 975 ND2 ASN A 63 -4.947 1.389 7.871 1.00 0.00 N ATOM 0 H ASN A 63 -7.976 -0.490 5.281 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.347 1.190 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.401 2.821 7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.411 1.382 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.975 1.199 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.203 1.565 8.843 1.00 0.00 H new ATOM 982 N ARG A 64 -7.681 2.168 4.475 1.00 0.00 N ATOM 983 CA ARG A 64 -7.810 2.941 3.261 1.00 0.00 C ATOM 984 C ARG A 64 -6.847 2.382 2.210 1.00 0.00 C ATOM 985 O ARG A 64 -6.385 3.072 1.330 1.00 0.00 O ATOM 986 CB ARG A 64 -7.522 4.442 3.527 1.00 0.00 C ATOM 987 CG ARG A 64 -6.060 4.854 3.591 1.00 0.00 C ATOM 988 CD ARG A 64 -5.283 4.235 4.720 1.00 0.00 C ATOM 989 NE ARG A 64 -3.943 4.779 4.754 1.00 0.00 N ATOM 990 CZ ARG A 64 -2.988 4.479 5.616 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.194 3.602 6.598 1.00 0.00 N ATOM 992 NH2 ARG A 64 -1.833 5.086 5.511 1.00 0.00 N ATOM 0 H ARG A 64 -6.743 1.803 4.642 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.833 2.865 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.006 5.026 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.995 4.718 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.580 4.589 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.006 5.939 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.787 4.427 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.242 3.153 4.594 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.711 5.466 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.102 3.148 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.443 3.384 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.684 5.775 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.082 4.870 6.166 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.579 1.132 2.304 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.694 0.487 1.383 1.00 0.00 C ATOM 1008 C LEU A 65 -6.462 -0.497 0.523 1.00 0.00 C ATOM 1009 O LEU A 65 -7.111 -1.401 1.039 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.532 -0.179 2.126 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.583 -1.019 1.274 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -3.201 -0.271 0.028 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.338 -1.344 2.055 1.00 0.00 C ATOM 0 H LEU A 65 -6.964 0.518 3.021 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.261 1.235 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.951 0.599 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.945 -0.816 2.909 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.093 -1.942 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.524 -0.882 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.097 -0.048 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.704 0.660 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.668 -1.943 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.837 -0.420 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.606 -1.905 2.950 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.395 -0.305 -0.768 1.00 0.00 N ATOM 1026 CA ARG A 66 -7.086 -1.132 -1.699 1.00 0.00 C ATOM 1027 C ARG A 66 -6.118 -2.081 -2.390 1.00 0.00 C ATOM 1028 O ARG A 66 -5.020 -1.653 -2.907 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.822 -0.290 -2.744 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.845 -1.063 -3.554 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.566 -0.166 -4.541 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.693 -0.861 -5.172 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.332 -0.479 -6.282 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -10.894 0.556 -6.998 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.394 -1.166 -6.682 1.00 0.00 N ATOM 0 H ARG A 66 -5.850 0.441 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.822 -1.714 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.323 0.537 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.090 0.146 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.349 -1.872 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.570 -1.523 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.927 0.725 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.868 0.169 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.020 -1.716 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.062 1.066 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.390 0.838 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.712 -1.973 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.893 -0.888 -7.527 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.459 -3.382 -2.347 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.774 -4.429 -3.082 1.00 0.00 C ATOM 1051 C PRO A 67 -6.120 -4.361 -4.556 1.00 0.00 C ATOM 1052 O PRO A 67 -6.588 -3.330 -5.050 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.338 -5.721 -2.466 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.005 -5.293 -1.228 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.533 -3.943 -1.519 1.00 0.00 C ATOM 0 HA PRO A 67 -4.689 -4.354 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.039 -6.208 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.544 -6.439 -2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.807 -5.979 -0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.306 -5.271 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.484 -3.980 -2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.697 -3.362 -0.611 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.878 -5.424 -5.260 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.226 -5.481 -6.654 1.00 0.00 C ATOM 1065 C LEU A 68 -7.711 -5.675 -6.816 1.00 0.00 C ATOM 1066 O LEU A 68 -8.448 -5.799 -5.809 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.474 -6.611 -7.351 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.203 -6.212 -8.085 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.467 -7.432 -8.585 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.575 -5.348 -9.258 1.00 0.00 C ATOM 0 H LEU A 68 -5.439 -6.269 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.940 -4.536 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.218 -7.365 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.149 -7.084 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.552 -5.671 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.561 -7.122 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.200 -8.067 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.108 -7.988 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.673 -5.054 -9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.230 -5.906 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.093 -4.457 -8.904 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.165 -5.639 -8.059 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.526 -5.970 -8.374 1.00 0.00 C ATOM 1084 C GLU A 69 -9.796 -7.379 -7.891 1.00 0.00 C ATOM 1085 O GLU A 69 -9.259 -8.353 -8.407 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.809 -5.791 -9.881 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.797 -6.452 -10.805 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.133 -6.259 -12.254 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.699 -5.249 -12.855 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -9.828 -7.115 -12.833 1.00 0.00 O ATOM 0 H GLU A 69 -7.597 -5.380 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.209 -5.290 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.798 -6.194 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.842 -4.725 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.807 -6.042 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.751 -7.518 -10.585 1.00 0.00 H new ATOM 1097 N ARG A 70 -10.528 -7.468 -6.845 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.773 -8.713 -6.220 1.00 0.00 C ATOM 1099 C ARG A 70 -11.945 -9.393 -6.908 1.00 0.00 C ATOM 1100 O ARG A 70 -12.972 -8.757 -7.147 1.00 0.00 O ATOM 1101 CB ARG A 70 -11.015 -8.489 -4.720 1.00 0.00 C ATOM 1102 CG ARG A 70 -11.278 -9.743 -3.914 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.372 -9.434 -2.430 1.00 0.00 C ATOM 1104 NE ARG A 70 -10.091 -8.967 -1.880 1.00 0.00 N ATOM 1105 CZ ARG A 70 -9.947 -8.100 -0.867 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -10.991 -7.452 -0.360 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -8.750 -7.866 -0.375 1.00 0.00 N ATOM 0 H ARG A 70 -10.979 -6.672 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.911 -9.373 -6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.146 -7.982 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.864 -7.816 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.205 -10.207 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.479 -10.464 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.135 -8.673 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.692 -10.327 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.239 -9.334 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.924 -7.610 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.859 -6.797 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.937 -8.343 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.635 -7.207 0.395 1.00 0.00 H new