USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=12 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 34:sc= 1.02 USER MOD Single : A 26 GLN : amide:sc= -0.612 K(o=-0.61,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -126:sc= 0.391 USER MOD Single : A 31 SER OG : rot -113:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 0.845 (180deg=0.486) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -138:sc= -0.032 (180deg=-0.833) USER MOD Single : A 46 HIS : no HE2:sc= 0.371 K(o=0.37,f=-5.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -103:sc= 1.21 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -3.143 -0.646 -11.182 1.00 0.00 N ATOM 40 CA PRO A 9 -3.663 -1.726 -10.352 1.00 0.00 C ATOM 41 C PRO A 9 -3.170 -1.657 -8.915 1.00 0.00 C ATOM 42 O PRO A 9 -2.017 -1.241 -8.649 1.00 0.00 O ATOM 43 CB PRO A 9 -3.110 -3.000 -11.023 1.00 0.00 C ATOM 44 CG PRO A 9 -2.130 -2.520 -12.031 1.00 0.00 C ATOM 45 CD PRO A 9 -2.606 -1.171 -12.433 1.00 0.00 C ATOM 0 HA PRO A 9 -4.750 -1.684 -10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.634 -3.654 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.908 -3.575 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.125 -2.473 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.086 -3.193 -12.888 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.796 -0.552 -12.819 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.367 -1.223 -13.212 1.00 0.00 H new ATOM 53 N GLY A 10 -4.038 -2.043 -8.010 1.00 0.00 N ATOM 54 CA GLY A 10 -3.711 -2.114 -6.617 1.00 0.00 C ATOM 55 C GLY A 10 -2.778 -3.257 -6.299 1.00 0.00 C ATOM 56 O GLY A 10 -1.997 -3.676 -7.159 1.00 0.00 O ATOM 0 H GLY A 10 -4.996 -2.317 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.250 -1.176 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.627 -2.225 -6.037 1.00 0.00 H new ATOM 60 N ILE A 11 -2.887 -3.784 -5.071 1.00 0.00 N ATOM 61 CA ILE A 11 -1.989 -4.839 -4.560 1.00 0.00 C ATOM 62 C ILE A 11 -1.804 -5.966 -5.571 1.00 0.00 C ATOM 63 O ILE A 11 -2.687 -6.795 -5.771 1.00 0.00 O ATOM 64 CB ILE A 11 -2.486 -5.447 -3.211 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.758 -4.340 -2.190 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.441 -6.412 -2.654 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.268 -4.827 -0.863 1.00 0.00 C ATOM 0 H ILE A 11 -3.599 -3.493 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.032 -4.347 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.413 -5.988 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.838 -3.779 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.485 -3.645 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.797 -6.831 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.272 -7.218 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.507 -5.877 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.433 -3.976 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.207 -5.361 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.534 -5.497 -0.415 1.00 0.00 H new ATOM 79 N THR A 12 -0.667 -5.943 -6.236 1.00 0.00 N ATOM 80 CA THR A 12 -0.322 -6.952 -7.210 1.00 0.00 C ATOM 81 C THR A 12 0.428 -8.110 -6.497 1.00 0.00 C ATOM 82 O THR A 12 0.791 -9.109 -7.101 1.00 0.00 O ATOM 83 CB THR A 12 0.559 -6.305 -8.304 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.011 -5.023 -8.648 1.00 0.00 O ATOM 85 CG2 THR A 12 0.601 -7.171 -9.563 1.00 0.00 C ATOM 0 H THR A 12 0.044 -5.222 -6.114 1.00 0.00 H new ATOM 0 HA THR A 12 -1.217 -7.361 -7.679 1.00 0.00 H new ATOM 0 HB THR A 12 1.574 -6.199 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.536 -4.597 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.228 -6.691 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.014 -8.150 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.409 -7.291 -9.956 1.00 0.00 H new ATOM 93 N PHE A 13 0.651 -7.924 -5.186 1.00 0.00 N ATOM 94 CA PHE A 13 1.286 -8.923 -4.300 1.00 0.00 C ATOM 95 C PHE A 13 2.741 -9.218 -4.665 1.00 0.00 C ATOM 96 O PHE A 13 3.277 -10.258 -4.305 1.00 0.00 O ATOM 97 CB PHE A 13 0.458 -10.228 -4.222 1.00 0.00 C ATOM 98 CG PHE A 13 -0.889 -10.057 -3.574 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.012 -10.076 -2.195 1.00 0.00 C ATOM 100 CD2 PHE A 13 -2.028 -9.872 -4.339 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.244 -9.915 -1.592 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.264 -9.708 -3.741 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.371 -9.730 -2.367 1.00 0.00 C ATOM 0 H PHE A 13 0.393 -7.064 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 13 1.302 -8.469 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.319 -10.619 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.026 -10.974 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.133 -10.219 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.950 -9.856 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.325 -9.934 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.144 -9.563 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.335 -9.603 -1.898 1.00 0.00 H new ATOM 113 N GLU A 14 3.390 -8.286 -5.326 1.00 0.00 N ATOM 114 CA GLU A 14 4.787 -8.445 -5.677 1.00 0.00 C ATOM 115 C GLU A 14 5.600 -7.352 -5.023 1.00 0.00 C ATOM 116 O GLU A 14 5.150 -6.198 -4.950 1.00 0.00 O ATOM 117 CB GLU A 14 5.003 -8.364 -7.196 1.00 0.00 C ATOM 118 CG GLU A 14 4.278 -9.413 -8.014 1.00 0.00 C ATOM 119 CD GLU A 14 4.621 -10.825 -7.613 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.785 -11.108 -7.281 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.720 -11.688 -7.610 1.00 0.00 O ATOM 0 H GLU A 14 2.973 -7.407 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 14 5.104 -9.428 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.687 -7.379 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.071 -8.444 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.203 -9.265 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.520 -9.273 -9.068 1.00 0.00 H new ATOM 128 N ILE A 15 6.770 -7.690 -4.543 1.00 0.00 N ATOM 129 CA ILE A 15 7.667 -6.693 -3.993 1.00 0.00 C ATOM 130 C ILE A 15 8.178 -5.854 -5.160 1.00 0.00 C ATOM 131 O ILE A 15 8.733 -6.384 -6.135 1.00 0.00 O ATOM 132 CB ILE A 15 8.882 -7.304 -3.183 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.434 -8.010 -1.876 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.931 -6.244 -2.862 1.00 0.00 C ATOM 135 CD1 ILE A 15 7.745 -9.346 -2.060 1.00 0.00 C ATOM 0 H ILE A 15 7.128 -8.645 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 15 7.114 -6.094 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 15 9.326 -8.057 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.310 -8.157 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.760 -7.344 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.750 -6.700 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.315 -5.819 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.479 -5.455 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.474 -9.753 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.845 -9.212 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.419 -10.037 -2.566 1.00 0.00 H new ATOM 147 N GLY A 16 7.926 -4.584 -5.098 1.00 0.00 N ATOM 148 CA GLY A 16 8.297 -3.701 -6.164 1.00 0.00 C ATOM 149 C GLY A 16 7.088 -3.294 -6.959 1.00 0.00 C ATOM 150 O GLY A 16 7.143 -2.361 -7.760 1.00 0.00 O ATOM 0 H GLY A 16 7.460 -4.130 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.786 -2.816 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.019 -4.193 -6.816 1.00 0.00 H new ATOM 154 N ALA A 17 5.986 -3.988 -6.737 1.00 0.00 N ATOM 155 CA ALA A 17 4.760 -3.684 -7.421 1.00 0.00 C ATOM 156 C ALA A 17 3.982 -2.688 -6.612 1.00 0.00 C ATOM 157 O ALA A 17 4.308 -2.440 -5.444 1.00 0.00 O ATOM 158 CB ALA A 17 3.939 -4.937 -7.664 1.00 0.00 C ATOM 0 H ALA A 17 5.924 -4.768 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 17 4.995 -3.258 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.018 -4.673 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.512 -5.635 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.697 -5.404 -6.709 1.00 0.00 H new ATOM 164 N ARG A 18 2.985 -2.114 -7.202 1.00 0.00 N ATOM 165 CA ARG A 18 2.207 -1.126 -6.532 1.00 0.00 C ATOM 166 C ARG A 18 0.965 -1.713 -5.859 1.00 0.00 C ATOM 167 O ARG A 18 0.598 -2.880 -6.083 1.00 0.00 O ATOM 168 CB ARG A 18 1.848 0.046 -7.471 1.00 0.00 C ATOM 169 CG ARG A 18 3.067 0.827 -7.964 1.00 0.00 C ATOM 170 CD ARG A 18 2.675 2.119 -8.670 1.00 0.00 C ATOM 171 NE ARG A 18 3.847 2.880 -9.146 1.00 0.00 N ATOM 172 CZ ARG A 18 4.003 4.221 -9.074 1.00 0.00 C ATOM 173 NH1 ARG A 18 3.151 4.968 -8.371 1.00 0.00 N ATOM 174 NH2 ARG A 18 5.054 4.802 -9.644 1.00 0.00 N ATOM 0 H ARG A 18 2.688 -2.316 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 18 2.831 -0.728 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.302 -0.342 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.177 0.727 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.714 1.059 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.645 0.203 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.029 1.885 -9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.095 2.740 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 18 4.607 2.346 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.372 4.528 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.278 5.979 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.745 4.236 -10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.170 5.814 -9.589 1.00 0.00 H new ATOM 188 N LEU A 19 0.396 -0.922 -4.982 1.00 0.00 N ATOM 189 CA LEU A 19 -0.852 -1.216 -4.304 1.00 0.00 C ATOM 190 C LEU A 19 -1.592 0.096 -4.093 1.00 0.00 C ATOM 191 O LEU A 19 -0.970 1.155 -4.182 1.00 0.00 O ATOM 192 CB LEU A 19 -0.627 -2.012 -2.965 1.00 0.00 C ATOM 193 CG LEU A 19 -0.012 -1.347 -1.694 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.280 -0.629 -1.955 1.00 0.00 C ATOM 195 CD2 LEU A 19 -1.008 -0.476 -0.947 1.00 0.00 C ATOM 0 H LEU A 19 0.799 -0.026 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.462 -1.876 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.598 -2.411 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.007 -2.864 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 19 0.239 -2.178 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.648 -0.192 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.016 -1.334 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.116 0.161 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.525 -0.040 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.359 0.320 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.855 -1.083 -0.629 1.00 0.00 H new ATOM 207 N GLU A 20 -2.880 0.074 -3.806 1.00 0.00 N ATOM 208 CA GLU A 20 -3.583 1.336 -3.676 1.00 0.00 C ATOM 209 C GLU A 20 -3.782 1.697 -2.216 1.00 0.00 C ATOM 210 O GLU A 20 -4.249 0.883 -1.432 1.00 0.00 O ATOM 211 CB GLU A 20 -4.917 1.324 -4.445 1.00 0.00 C ATOM 212 CG GLU A 20 -4.746 1.125 -5.949 1.00 0.00 C ATOM 213 CD GLU A 20 -6.047 1.167 -6.724 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.760 0.145 -6.799 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.367 2.226 -7.315 1.00 0.00 O ATOM 0 H GLU A 20 -3.442 -0.765 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.963 2.110 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.549 0.529 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.439 2.264 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.079 1.896 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.259 0.166 -6.126 1.00 0.00 H new ATOM 222 N ALA A 21 -3.351 2.874 -1.837 1.00 0.00 N ATOM 223 CA ALA A 21 -3.566 3.365 -0.488 1.00 0.00 C ATOM 224 C ALA A 21 -4.250 4.719 -0.555 1.00 0.00 C ATOM 225 O ALA A 21 -4.066 5.416 -1.524 1.00 0.00 O ATOM 226 CB ALA A 21 -2.245 3.474 0.241 1.00 0.00 C ATOM 0 H ALA A 21 -2.845 3.518 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.202 2.669 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.417 3.843 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.773 2.492 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.592 4.165 -0.291 1.00 0.00 H new ATOM 232 N LEU A 22 -5.054 5.056 0.462 1.00 0.00 N ATOM 233 CA LEU A 22 -5.775 6.346 0.532 1.00 0.00 C ATOM 234 C LEU A 22 -5.002 7.218 1.456 1.00 0.00 C ATOM 235 O LEU A 22 -5.131 7.119 2.675 1.00 0.00 O ATOM 236 CB LEU A 22 -7.218 6.128 1.090 1.00 0.00 C ATOM 237 CG LEU A 22 -8.299 7.248 1.004 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.579 6.769 1.653 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.889 8.554 1.642 1.00 0.00 C ATOM 0 H LEU A 22 -5.227 4.447 1.262 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.864 6.797 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.626 5.254 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.115 5.866 2.143 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.438 7.448 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.334 7.553 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.938 5.879 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.389 6.529 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.697 9.279 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.680 8.392 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.994 8.935 1.149 1.00 0.00 H new ATOM 251 N ASP A 23 -4.187 8.042 0.926 1.00 0.00 N ATOM 252 CA ASP A 23 -3.436 8.904 1.777 1.00 0.00 C ATOM 253 C ASP A 23 -4.285 10.061 2.140 1.00 0.00 C ATOM 254 O ASP A 23 -5.323 10.291 1.470 1.00 0.00 O ATOM 255 CB ASP A 23 -2.130 9.346 1.160 1.00 0.00 C ATOM 256 CG ASP A 23 -2.201 10.447 0.105 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.248 10.640 -0.544 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.155 11.116 -0.107 1.00 0.00 O ATOM 0 H ASP A 23 -4.017 8.146 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.158 8.350 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.474 9.686 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.656 8.474 0.709 1.00 0.00 H new ATOM 263 N TYR A 24 -3.843 10.817 3.155 1.00 0.00 N ATOM 264 CA TYR A 24 -4.589 11.947 3.735 1.00 0.00 C ATOM 265 C TYR A 24 -4.787 13.118 2.776 1.00 0.00 C ATOM 266 O TYR A 24 -5.341 14.149 3.142 1.00 0.00 O ATOM 267 CB TYR A 24 -3.987 12.402 5.086 1.00 0.00 C ATOM 268 CG TYR A 24 -2.516 12.790 5.071 1.00 0.00 C ATOM 269 CD1 TYR A 24 -1.529 11.841 5.299 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.118 14.106 4.862 1.00 0.00 C ATOM 271 CE1 TYR A 24 -0.193 12.183 5.314 1.00 0.00 C ATOM 272 CE2 TYR A 24 -0.781 14.457 4.880 1.00 0.00 C ATOM 273 CZ TYR A 24 0.176 13.489 5.105 1.00 0.00 C ATOM 274 OH TYR A 24 1.516 13.836 5.143 1.00 0.00 O ATOM 0 H TYR A 24 -2.941 10.659 3.605 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.590 11.563 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.562 13.255 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.121 11.597 5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.813 10.813 5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.865 14.865 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.559 11.428 5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.487 15.484 4.719 1.00 0.00 H new ATOM 0 HH TYR A 24 2.055 13.099 4.786 1.00 0.00 H new ATOM 284 N LEU A 25 -4.356 12.942 1.565 1.00 0.00 N ATOM 285 CA LEU A 25 -4.586 13.873 0.500 1.00 0.00 C ATOM 286 C LEU A 25 -5.853 13.425 -0.225 1.00 0.00 C ATOM 287 O LEU A 25 -6.289 14.026 -1.210 1.00 0.00 O ATOM 288 CB LEU A 25 -3.361 13.913 -0.444 1.00 0.00 C ATOM 289 CG LEU A 25 -2.089 14.630 0.077 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.406 16.060 0.446 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.457 13.913 1.270 1.00 0.00 C ATOM 0 H LEU A 25 -3.819 12.123 1.281 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.721 14.886 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.092 12.886 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.665 14.397 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.362 14.612 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.503 16.550 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.777 16.589 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.167 16.074 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.570 14.458 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.175 13.868 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.175 12.901 0.979 1.00 0.00 H new ATOM 303 N GLN A 26 -6.406 12.316 0.297 1.00 0.00 N ATOM 304 CA GLN A 26 -7.627 11.692 -0.121 1.00 0.00 C ATOM 305 C GLN A 26 -7.457 11.018 -1.380 1.00 0.00 C ATOM 306 O GLN A 26 -8.323 11.046 -2.265 1.00 0.00 O ATOM 307 CB GLN A 26 -8.823 12.602 -0.098 1.00 0.00 C ATOM 308 CG GLN A 26 -9.611 12.477 1.188 1.00 0.00 C ATOM 309 CD GLN A 26 -8.804 12.846 2.421 1.00 0.00 C ATOM 310 OE1 GLN A 26 -8.774 14.002 2.840 1.00 0.00 O ATOM 311 NE2 GLN A 26 -8.148 11.872 3.012 1.00 0.00 N ATOM 0 H GLN A 26 -5.966 11.817 1.070 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.857 10.936 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.495 13.634 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.471 12.370 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.491 13.118 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.969 11.453 1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.195 10.924 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.592 12.064 3.845 1.00 0.00 H new ATOM 320 N LYS A 27 -6.367 10.342 -1.477 1.00 0.00 N ATOM 321 CA LYS A 27 -6.080 9.719 -2.722 1.00 0.00 C ATOM 322 C LYS A 27 -5.829 8.288 -2.608 1.00 0.00 C ATOM 323 O LYS A 27 -4.933 7.885 -1.895 1.00 0.00 O ATOM 324 CB LYS A 27 -4.915 10.359 -3.421 1.00 0.00 C ATOM 325 CG LYS A 27 -5.149 11.787 -3.835 1.00 0.00 C ATOM 326 CD LYS A 27 -6.096 11.859 -5.008 1.00 0.00 C ATOM 327 CE LYS A 27 -6.404 13.295 -5.375 1.00 0.00 C ATOM 328 NZ LYS A 27 -7.324 13.384 -6.523 1.00 0.00 N ATOM 0 H LYS A 27 -5.679 10.208 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.984 9.861 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.047 10.321 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.670 9.772 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.559 12.351 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.200 12.253 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.657 11.348 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.021 11.337 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.844 13.803 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.476 13.816 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.510 14.383 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.894 12.922 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.219 12.909 -6.288 1.00 0.00 H new ATOM 342 N TRP A 28 -6.652 7.526 -3.287 1.00 0.00 N ATOM 343 CA TRP A 28 -6.411 6.133 -3.503 1.00 0.00 C ATOM 344 C TRP A 28 -5.426 6.024 -4.625 1.00 0.00 C ATOM 345 O TRP A 28 -5.802 5.910 -5.805 1.00 0.00 O ATOM 346 CB TRP A 28 -7.676 5.400 -3.871 1.00 0.00 C ATOM 347 CG TRP A 28 -8.599 5.193 -2.745 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.714 5.892 -2.451 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.448 4.212 -1.753 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.321 5.340 -1.333 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.533 4.303 -0.883 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.492 3.257 -1.536 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.679 3.437 0.212 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.614 2.420 -0.476 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.693 2.496 0.392 1.00 0.00 C ATOM 0 H TRP A 28 -7.517 7.867 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.031 5.682 -2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.192 5.958 -4.652 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.412 4.430 -4.293 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.077 6.748 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.199 5.648 -0.916 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.647 3.171 -2.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.524 3.507 0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.851 1.675 -0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.760 1.807 1.221 1.00 0.00 H new ATOM 366 N TYR A 29 -4.200 6.134 -4.284 1.00 0.00 N ATOM 367 CA TYR A 29 -3.173 6.220 -5.250 1.00 0.00 C ATOM 368 C TYR A 29 -2.251 4.999 -5.200 1.00 0.00 C ATOM 369 O TYR A 29 -2.174 4.302 -4.157 1.00 0.00 O ATOM 370 CB TYR A 29 -2.434 7.589 -5.117 1.00 0.00 C ATOM 371 CG TYR A 29 -1.651 7.867 -3.825 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.651 7.000 -2.724 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.909 9.024 -3.728 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.929 7.289 -1.586 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.192 9.317 -2.606 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.194 8.455 -1.541 1.00 0.00 C ATOM 377 OH TYR A 29 0.524 8.785 -0.414 1.00 0.00 O ATOM 0 H TYR A 29 -3.876 6.167 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.607 6.197 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.740 7.675 -5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.174 8.380 -5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.228 6.088 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.895 9.714 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.939 6.613 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.380 10.232 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 29 0.267 9.682 -0.114 1.00 0.00 H new ATOM 387 N PRO A 30 -1.556 4.698 -6.305 1.00 0.00 N ATOM 388 CA PRO A 30 -0.714 3.542 -6.389 1.00 0.00 C ATOM 389 C PRO A 30 0.626 3.753 -5.704 1.00 0.00 C ATOM 390 O PRO A 30 1.530 4.391 -6.243 1.00 0.00 O ATOM 391 CB PRO A 30 -0.528 3.307 -7.892 1.00 0.00 C ATOM 392 CG PRO A 30 -1.209 4.448 -8.586 1.00 0.00 C ATOM 393 CD PRO A 30 -1.521 5.476 -7.547 1.00 0.00 C ATOM 0 HA PRO A 30 -1.162 2.688 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.530 3.270 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.963 2.354 -8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.566 4.866 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.121 4.110 -9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.761 6.256 -7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.474 5.968 -7.741 1.00 0.00 H new ATOM 401 N SER A 31 0.716 3.225 -4.535 1.00 0.00 N ATOM 402 CA SER A 31 1.884 3.271 -3.710 1.00 0.00 C ATOM 403 C SER A 31 2.637 1.958 -3.960 1.00 0.00 C ATOM 404 O SER A 31 2.106 1.116 -4.629 1.00 0.00 O ATOM 405 CB SER A 31 1.388 3.393 -2.280 1.00 0.00 C ATOM 406 OG SER A 31 0.547 4.531 -2.168 1.00 0.00 O ATOM 0 H SER A 31 -0.059 2.723 -4.101 1.00 0.00 H new ATOM 0 HA SER A 31 2.556 4.103 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.842 2.494 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.233 3.483 -1.597 1.00 0.00 H new ATOM 0 HG SER A 31 0.975 5.198 -1.592 1.00 0.00 H new ATOM 412 N ARG A 32 3.829 1.762 -3.463 1.00 0.00 N ATOM 413 CA ARG A 32 4.541 0.509 -3.791 1.00 0.00 C ATOM 414 C ARG A 32 4.671 -0.436 -2.598 1.00 0.00 C ATOM 415 O ARG A 32 4.604 -0.017 -1.466 1.00 0.00 O ATOM 416 CB ARG A 32 5.919 0.785 -4.404 1.00 0.00 C ATOM 417 CG ARG A 32 5.879 1.379 -5.803 1.00 0.00 C ATOM 418 CD ARG A 32 7.276 1.690 -6.311 1.00 0.00 C ATOM 419 NE ARG A 32 7.907 2.766 -5.542 1.00 0.00 N ATOM 420 CZ ARG A 32 9.218 2.992 -5.421 1.00 0.00 C ATOM 421 NH1 ARG A 32 10.114 2.144 -5.907 1.00 0.00 N ATOM 422 NH2 ARG A 32 9.608 4.072 -4.793 1.00 0.00 N ATOM 0 H ARG A 32 4.329 2.409 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 32 3.923 0.005 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.464 1.465 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.482 -0.148 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.390 0.681 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.281 2.290 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.892 0.793 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.226 1.975 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 32 7.283 3.406 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.807 1.297 -6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.110 2.339 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.917 4.717 -4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.603 4.269 -4.686 1.00 0.00 H new ATOM 436 N ILE A 33 4.821 -1.709 -2.871 1.00 0.00 N ATOM 437 CA ILE A 33 5.032 -2.711 -1.840 1.00 0.00 C ATOM 438 C ILE A 33 6.519 -2.994 -1.761 1.00 0.00 C ATOM 439 O ILE A 33 7.127 -3.362 -2.771 1.00 0.00 O ATOM 440 CB ILE A 33 4.315 -4.053 -2.172 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.821 -3.837 -2.447 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.502 -5.035 -1.024 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.070 -5.103 -2.829 1.00 0.00 C ATOM 0 H ILE A 33 4.801 -2.087 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 33 4.628 -2.325 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 33 4.763 -4.463 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.358 -3.407 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.712 -3.107 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.999 -5.972 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.565 -5.222 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.076 -4.615 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.021 -4.864 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.505 -5.524 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.145 -5.829 -2.019 1.00 0.00 H new ATOM 455 N GLU A 34 7.130 -2.811 -0.610 1.00 0.00 N ATOM 456 CA GLU A 34 8.560 -3.103 -0.535 1.00 0.00 C ATOM 457 C GLU A 34 8.869 -4.358 0.284 1.00 0.00 C ATOM 458 O GLU A 34 10.016 -4.825 0.307 1.00 0.00 O ATOM 459 CB GLU A 34 9.375 -1.924 -0.030 1.00 0.00 C ATOM 460 CG GLU A 34 9.103 -1.531 1.380 1.00 0.00 C ATOM 461 CD GLU A 34 10.107 -0.542 1.881 1.00 0.00 C ATOM 462 OE1 GLU A 34 11.179 -0.970 2.360 1.00 0.00 O ATOM 463 OE2 GLU A 34 9.864 0.663 1.790 1.00 0.00 O ATOM 0 H GLU A 34 6.694 -2.479 0.250 1.00 0.00 H new ATOM 0 HA GLU A 34 8.863 -3.299 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.434 -2.165 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.183 -1.066 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.103 -1.103 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.117 -2.417 2.014 1.00 0.00 H new ATOM 470 N LYS A 35 7.872 -4.886 0.958 1.00 0.00 N ATOM 471 CA LYS A 35 8.035 -6.077 1.773 1.00 0.00 C ATOM 472 C LYS A 35 6.635 -6.561 2.101 1.00 0.00 C ATOM 473 O LYS A 35 5.745 -5.734 2.329 1.00 0.00 O ATOM 474 CB LYS A 35 8.820 -5.720 3.069 1.00 0.00 C ATOM 475 CG LYS A 35 9.559 -6.889 3.755 1.00 0.00 C ATOM 476 CD LYS A 35 8.619 -7.916 4.355 1.00 0.00 C ATOM 477 CE LYS A 35 9.364 -9.071 4.974 1.00 0.00 C ATOM 478 NZ LYS A 35 8.438 -10.052 5.565 1.00 0.00 N ATOM 0 H LYS A 35 6.926 -4.506 0.959 1.00 0.00 H new ATOM 0 HA LYS A 35 8.599 -6.853 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.549 -4.947 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.122 -5.287 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.206 -7.379 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.204 -6.493 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.997 -7.439 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.949 -8.290 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.978 -9.558 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.042 -8.699 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.901 -10.982 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.176 -9.748 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.583 -10.120 4.977 1.00 0.00 H new ATOM 492 N ILE A 36 6.416 -7.851 2.079 1.00 0.00 N ATOM 493 CA ILE A 36 5.107 -8.404 2.358 1.00 0.00 C ATOM 494 C ILE A 36 5.168 -9.299 3.591 1.00 0.00 C ATOM 495 O ILE A 36 6.126 -10.059 3.774 1.00 0.00 O ATOM 496 CB ILE A 36 4.570 -9.232 1.149 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.585 -8.384 -0.124 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.153 -9.747 1.423 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.073 -9.092 -1.355 1.00 0.00 C ATOM 0 H ILE A 36 7.132 -8.547 1.869 1.00 0.00 H new ATOM 0 HA ILE A 36 4.428 -7.571 2.538 1.00 0.00 H new ATOM 0 HB ILE A 36 5.225 -10.092 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.983 -7.491 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.606 -8.050 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.802 -10.321 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.162 -10.385 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.485 -8.902 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.120 -8.416 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.688 -9.970 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.040 -9.402 -1.194 1.00 0.00 H new ATOM 511 N ASP A 37 4.188 -9.172 4.444 1.00 0.00 N ATOM 512 CA ASP A 37 4.048 -10.033 5.590 1.00 0.00 C ATOM 513 C ASP A 37 2.664 -10.615 5.536 1.00 0.00 C ATOM 514 O ASP A 37 1.734 -10.028 6.015 1.00 0.00 O ATOM 515 CB ASP A 37 4.223 -9.281 6.913 1.00 0.00 C ATOM 516 CG ASP A 37 4.280 -10.213 8.116 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.257 -10.812 8.490 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.365 -10.336 8.728 1.00 0.00 O ATOM 0 H ASP A 37 3.458 -8.464 4.364 1.00 0.00 H new ATOM 0 HA ASP A 37 4.823 -10.799 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.138 -8.691 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.397 -8.581 7.040 1.00 0.00 H new ATOM 523 N TYR A 38 2.536 -11.732 4.909 1.00 0.00 N ATOM 524 CA TYR A 38 1.273 -12.402 4.705 1.00 0.00 C ATOM 525 C TYR A 38 0.907 -13.250 5.892 1.00 0.00 C ATOM 526 O TYR A 38 -0.200 -13.789 5.974 1.00 0.00 O ATOM 527 CB TYR A 38 1.297 -13.235 3.426 1.00 0.00 C ATOM 528 CG TYR A 38 2.582 -14.007 3.187 1.00 0.00 C ATOM 529 CD1 TYR A 38 2.789 -15.258 3.750 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.590 -13.474 2.392 1.00 0.00 C ATOM 531 CE1 TYR A 38 3.960 -15.951 3.528 1.00 0.00 C ATOM 532 CE2 TYR A 38 4.761 -14.161 2.167 1.00 0.00 C ATOM 533 CZ TYR A 38 4.942 -15.396 2.737 1.00 0.00 C ATOM 534 OH TYR A 38 6.114 -16.089 2.511 1.00 0.00 O ATOM 0 H TYR A 38 3.328 -12.232 4.505 1.00 0.00 H new ATOM 0 HA TYR A 38 0.505 -11.636 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.467 -13.941 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.125 -12.574 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.022 -15.695 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.452 -12.502 1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.107 -16.924 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.533 -13.731 1.546 1.00 0.00 H new ATOM 0 HH TYR A 38 6.701 -15.559 1.932 1.00 0.00 H new ATOM 544 N GLU A 39 1.836 -13.369 6.802 1.00 0.00 N ATOM 545 CA GLU A 39 1.612 -14.070 8.025 1.00 0.00 C ATOM 546 C GLU A 39 0.608 -13.267 8.861 1.00 0.00 C ATOM 547 O GLU A 39 -0.365 -13.812 9.394 1.00 0.00 O ATOM 548 CB GLU A 39 2.942 -14.247 8.736 1.00 0.00 C ATOM 549 CG GLU A 39 2.869 -15.000 10.040 1.00 0.00 C ATOM 550 CD GLU A 39 2.239 -16.356 9.877 1.00 0.00 C ATOM 551 OE1 GLU A 39 2.894 -17.267 9.351 1.00 0.00 O ATOM 552 OE2 GLU A 39 1.068 -16.530 10.275 1.00 0.00 O ATOM 0 H GLU A 39 2.773 -12.978 6.709 1.00 0.00 H new ATOM 0 HA GLU A 39 1.194 -15.062 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.627 -14.770 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.370 -13.263 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.873 -15.114 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.295 -14.419 10.762 1.00 0.00 H new ATOM 559 N GLU A 40 0.832 -11.980 8.946 1.00 0.00 N ATOM 560 CA GLU A 40 -0.105 -11.078 9.576 1.00 0.00 C ATOM 561 C GLU A 40 -1.107 -10.697 8.516 1.00 0.00 C ATOM 562 O GLU A 40 -2.323 -10.685 8.731 1.00 0.00 O ATOM 563 CB GLU A 40 0.631 -9.824 10.029 1.00 0.00 C ATOM 564 CG GLU A 40 -0.219 -8.784 10.725 1.00 0.00 C ATOM 565 CD GLU A 40 -0.727 -9.223 12.060 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.067 -9.287 13.006 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.935 -9.484 12.196 1.00 0.00 O ATOM 0 H GLU A 40 1.669 -11.526 8.581 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.584 -11.541 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.436 -10.120 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.097 -9.363 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.366 -7.873 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.067 -8.534 10.087 1.00 0.00 H new ATOM 574 N GLY A 41 -0.567 -10.436 7.363 1.00 0.00 N ATOM 575 CA GLY A 41 -1.320 -10.026 6.234 1.00 0.00 C ATOM 576 C GLY A 41 -1.264 -8.530 6.072 1.00 0.00 C ATOM 577 O GLY A 41 -2.280 -7.853 5.998 1.00 0.00 O ATOM 0 H GLY A 41 0.435 -10.507 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.932 -10.509 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.356 -10.346 6.346 1.00 0.00 H new ATOM 581 N LYS A 42 -0.062 -8.033 6.027 1.00 0.00 N ATOM 582 CA LYS A 42 0.233 -6.637 5.870 1.00 0.00 C ATOM 583 C LYS A 42 1.349 -6.499 4.867 1.00 0.00 C ATOM 584 O LYS A 42 2.031 -7.476 4.552 1.00 0.00 O ATOM 585 CB LYS A 42 0.665 -5.991 7.214 1.00 0.00 C ATOM 586 CG LYS A 42 1.847 -6.671 7.872 1.00 0.00 C ATOM 587 CD LYS A 42 2.405 -5.905 9.077 1.00 0.00 C ATOM 588 CE LYS A 42 1.421 -5.838 10.229 1.00 0.00 C ATOM 589 NZ LYS A 42 2.010 -5.224 11.436 1.00 0.00 N ATOM 0 H LYS A 42 0.774 -8.613 6.102 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.666 -6.123 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.912 -4.944 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.180 -6.008 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.548 -7.669 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.639 -6.797 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.323 -6.385 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.669 -4.893 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.546 -5.265 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.076 -6.844 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.300 -5.201 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.830 -5.784 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.316 -4.254 11.218 1.00 0.00 H new ATOM 603 N MET A 43 1.526 -5.338 4.355 1.00 0.00 N ATOM 604 CA MET A 43 2.613 -5.092 3.476 1.00 0.00 C ATOM 605 C MET A 43 3.230 -3.795 3.889 1.00 0.00 C ATOM 606 O MET A 43 2.597 -3.000 4.616 1.00 0.00 O ATOM 607 CB MET A 43 2.168 -5.039 1.981 1.00 0.00 C ATOM 608 CG MET A 43 1.598 -3.694 1.471 1.00 0.00 C ATOM 609 SD MET A 43 0.120 -3.109 2.331 1.00 0.00 S ATOM 610 CE MET A 43 -1.027 -4.433 2.008 1.00 0.00 C ATOM 0 H MET A 43 0.926 -4.532 4.531 1.00 0.00 H new ATOM 0 HA MET A 43 3.330 -5.910 3.546 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.026 -5.301 1.362 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.413 -5.810 1.823 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.374 -2.933 1.557 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.366 -3.795 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.005 -4.016 1.768 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.669 -5.027 1.167 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.109 -5.067 2.891 1.00 0.00 H new ATOM 620 N LEU A 44 4.455 -3.595 3.523 1.00 0.00 N ATOM 621 CA LEU A 44 5.057 -2.334 3.742 1.00 0.00 C ATOM 622 C LEU A 44 4.663 -1.509 2.556 1.00 0.00 C ATOM 623 O LEU A 44 5.219 -1.689 1.437 1.00 0.00 O ATOM 624 CB LEU A 44 6.602 -2.431 3.855 1.00 0.00 C ATOM 625 CG LEU A 44 7.385 -1.174 4.390 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.137 0.078 3.589 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.078 -0.903 5.822 1.00 0.00 C ATOM 0 H LEU A 44 5.051 -4.290 3.073 1.00 0.00 H new ATOM 0 HA LEU A 44 4.726 -1.899 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.837 -3.273 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.994 -2.673 2.867 1.00 0.00 H new ATOM 0 HG LEU A 44 8.438 -1.434 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.709 0.902 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.448 -0.083 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.075 0.322 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.637 -0.028 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.010 -0.716 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.362 -1.766 6.425 1.00 0.00 H new ATOM 639 N VAL A 45 3.674 -0.690 2.756 1.00 0.00 N ATOM 640 CA VAL A 45 3.227 0.189 1.751 1.00 0.00 C ATOM 641 C VAL A 45 4.103 1.417 1.733 1.00 0.00 C ATOM 642 O VAL A 45 4.190 2.203 2.697 1.00 0.00 O ATOM 643 CB VAL A 45 1.691 0.507 1.819 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.246 0.826 3.216 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.322 1.651 0.885 1.00 0.00 C ATOM 0 H VAL A 45 3.159 -0.623 3.634 1.00 0.00 H new ATOM 0 HA VAL A 45 3.330 -0.316 0.791 1.00 0.00 H new ATOM 0 HB VAL A 45 1.171 -0.394 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.177 1.040 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.447 -0.026 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.791 1.697 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.252 1.847 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.874 2.546 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.575 1.380 -0.140 1.00 0.00 H new ATOM 655 N HIS A 46 4.818 1.494 0.679 1.00 0.00 N ATOM 656 CA HIS A 46 5.743 2.514 0.407 1.00 0.00 C ATOM 657 C HIS A 46 4.970 3.630 -0.268 1.00 0.00 C ATOM 658 O HIS A 46 4.645 3.548 -1.456 1.00 0.00 O ATOM 659 CB HIS A 46 6.823 1.920 -0.514 1.00 0.00 C ATOM 660 CG HIS A 46 8.072 2.710 -0.704 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.267 2.350 -0.130 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.341 3.776 -1.472 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.205 3.150 -0.542 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.674 4.020 -1.353 1.00 0.00 N ATOM 0 H HIS A 46 4.767 0.798 -0.065 1.00 0.00 H new ATOM 0 HA HIS A 46 6.232 2.909 1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.100 0.942 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.376 1.755 -1.494 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.398 1.574 0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.635 4.333 -2.070 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.246 3.102 -0.260 1.00 0.00 H new ATOM 673 N PHE A 47 4.653 4.643 0.505 1.00 0.00 N ATOM 674 CA PHE A 47 3.835 5.772 0.063 1.00 0.00 C ATOM 675 C PHE A 47 4.667 6.787 -0.673 1.00 0.00 C ATOM 676 O PHE A 47 4.176 7.880 -0.984 1.00 0.00 O ATOM 677 CB PHE A 47 3.191 6.491 1.256 1.00 0.00 C ATOM 678 CG PHE A 47 2.169 5.716 2.014 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.535 4.919 3.082 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.833 5.810 1.675 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.586 4.227 3.796 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.119 5.117 2.383 1.00 0.00 C ATOM 683 CZ PHE A 47 0.255 4.325 3.445 1.00 0.00 C ATOM 0 H PHE A 47 4.956 4.716 1.476 1.00 0.00 H new ATOM 0 HA PHE A 47 3.067 5.360 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.981 6.785 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.727 7.408 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.576 4.839 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.534 6.434 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.881 3.608 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.160 5.194 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.493 3.781 4.003 1.00 0.00 H new ATOM 693 N GLU A 48 5.935 6.434 -0.913 1.00 0.00 N ATOM 694 CA GLU A 48 6.926 7.302 -1.563 1.00 0.00 C ATOM 695 C GLU A 48 7.267 8.423 -0.585 1.00 0.00 C ATOM 696 O GLU A 48 7.767 9.471 -0.984 1.00 0.00 O ATOM 697 CB GLU A 48 6.374 7.911 -2.890 1.00 0.00 C ATOM 698 CG GLU A 48 5.859 6.904 -3.919 1.00 0.00 C ATOM 699 CD GLU A 48 6.936 6.037 -4.480 1.00 0.00 C ATOM 700 OE1 GLU A 48 7.647 6.483 -5.408 1.00 0.00 O ATOM 701 OE2 GLU A 48 7.102 4.899 -4.028 1.00 0.00 O ATOM 0 H GLU A 48 6.309 5.520 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 48 7.809 6.716 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.564 8.597 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.164 8.503 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.100 6.275 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.373 7.442 -4.733 1.00 0.00 H new ATOM 708 N ARG A 49 7.037 8.146 0.713 1.00 0.00 N ATOM 709 CA ARG A 49 7.144 9.131 1.796 1.00 0.00 C ATOM 710 C ARG A 49 6.075 10.211 1.678 1.00 0.00 C ATOM 711 O ARG A 49 6.229 11.188 0.931 1.00 0.00 O ATOM 712 CB ARG A 49 8.534 9.771 1.904 1.00 0.00 C ATOM 713 CG ARG A 49 9.616 8.850 2.402 1.00 0.00 C ATOM 714 CD ARG A 49 10.964 9.543 2.390 1.00 0.00 C ATOM 715 NE ARG A 49 10.970 10.787 3.187 1.00 0.00 N ATOM 716 CZ ARG A 49 11.987 11.662 3.211 1.00 0.00 C ATOM 717 NH1 ARG A 49 13.074 11.446 2.467 1.00 0.00 N ATOM 718 NH2 ARG A 49 11.910 12.754 3.961 1.00 0.00 N ATOM 0 H ARG A 49 6.768 7.218 1.039 1.00 0.00 H new ATOM 0 HA ARG A 49 6.981 8.569 2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.822 10.149 0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.472 10.630 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.381 8.520 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.656 7.958 1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.722 8.863 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.241 9.774 1.361 1.00 0.00 H new ATOM 0 HE ARG A 49 10.149 10.994 3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.133 10.615 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.846 12.112 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.076 12.930 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.685 13.417 3.977 1.00 0.00 H new ATOM 732 N TRP A 50 4.984 10.025 2.387 1.00 0.00 N ATOM 733 CA TRP A 50 3.912 11.002 2.419 1.00 0.00 C ATOM 734 C TRP A 50 4.231 12.204 3.301 1.00 0.00 C ATOM 735 O TRP A 50 3.700 12.357 4.415 1.00 0.00 O ATOM 736 CB TRP A 50 2.491 10.401 2.690 1.00 0.00 C ATOM 737 CG TRP A 50 2.372 9.316 3.773 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.369 8.712 4.503 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.158 8.702 4.217 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.848 7.775 5.339 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.500 7.748 5.193 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.181 8.863 3.887 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.553 6.967 5.834 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.118 8.085 4.526 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.745 7.148 5.490 1.00 0.00 C ATOM 0 H TRP A 50 4.813 9.196 2.957 1.00 0.00 H new ATOM 0 HA TRP A 50 3.855 11.378 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.826 11.221 2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.118 9.984 1.754 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.420 8.949 4.423 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.386 7.186 5.975 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.481 9.586 3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.838 6.241 6.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.162 8.202 4.277 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.507 6.554 5.972 1.00 0.00 H new ATOM 756 N SER A 51 5.150 13.015 2.789 1.00 0.00 N ATOM 757 CA SER A 51 5.616 14.255 3.377 1.00 0.00 C ATOM 758 C SER A 51 6.286 14.080 4.744 1.00 0.00 C ATOM 759 O SER A 51 7.507 13.935 4.830 1.00 0.00 O ATOM 760 CB SER A 51 4.493 15.297 3.425 1.00 0.00 C ATOM 761 OG SER A 51 3.987 15.549 2.120 1.00 0.00 O ATOM 0 H SER A 51 5.612 12.809 1.903 1.00 0.00 H new ATOM 0 HA SER A 51 6.402 14.624 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.689 14.943 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.868 16.223 3.861 1.00 0.00 H new ATOM 0 HG SER A 51 3.270 16.215 2.170 1.00 0.00 H new ATOM 767 N HIS A 52 5.488 14.026 5.775 1.00 0.00 N ATOM 768 CA HIS A 52 5.982 14.007 7.132 1.00 0.00 C ATOM 769 C HIS A 52 6.316 12.593 7.539 1.00 0.00 C ATOM 770 O HIS A 52 7.468 12.262 7.797 1.00 0.00 O ATOM 771 CB HIS A 52 4.903 14.562 8.051 1.00 0.00 C ATOM 772 CG HIS A 52 5.328 14.790 9.478 1.00 0.00 C ATOM 773 ND1 HIS A 52 4.917 14.004 10.526 1.00 0.00 N ATOM 774 CD2 HIS A 52 6.090 15.755 10.022 1.00 0.00 C ATOM 775 CE1 HIS A 52 5.406 14.475 11.645 1.00 0.00 C ATOM 776 NE2 HIS A 52 6.120 15.537 11.372 1.00 0.00 N ATOM 0 H HIS A 52 4.471 13.994 5.701 1.00 0.00 H new ATOM 0 HA HIS A 52 6.884 14.615 7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.549 15.507 7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.057 13.875 8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.586 16.554 9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.247 14.057 12.628 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.618 16.109 12.054 1.00 0.00 H new ATOM 785 N ARG A 53 5.305 11.767 7.563 1.00 0.00 N ATOM 786 CA ARG A 53 5.447 10.391 7.965 1.00 0.00 C ATOM 787 C ARG A 53 6.065 9.560 6.840 1.00 0.00 C ATOM 788 O ARG A 53 6.140 10.016 5.679 1.00 0.00 O ATOM 789 CB ARG A 53 4.100 9.844 8.499 1.00 0.00 C ATOM 790 CG ARG A 53 2.903 10.124 7.599 1.00 0.00 C ATOM 791 CD ARG A 53 1.565 9.855 8.295 1.00 0.00 C ATOM 792 NE ARG A 53 1.369 8.454 8.706 1.00 0.00 N ATOM 793 CZ ARG A 53 0.211 7.948 9.177 1.00 0.00 C ATOM 794 NH1 ARG A 53 -0.877 8.705 9.256 1.00 0.00 N ATOM 795 NH2 ARG A 53 0.132 6.675 9.544 1.00 0.00 N ATOM 0 H ARG A 53 4.354 12.030 7.303 1.00 0.00 H new ATOM 0 HA ARG A 53 6.147 10.318 8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.190 8.767 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.910 10.278 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.935 11.163 7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.974 9.505 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.491 10.494 9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.755 10.142 7.624 1.00 0.00 H new ATOM 0 HE ARG A 53 2.166 7.822 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.843 9.680 8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.747 8.311 9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.951 6.071 9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.748 6.300 9.899 1.00 0.00 H new ATOM 809 N TYR A 54 6.538 8.393 7.168 1.00 0.00 N ATOM 810 CA TYR A 54 7.253 7.575 6.215 1.00 0.00 C ATOM 811 C TYR A 54 6.409 6.416 5.737 1.00 0.00 C ATOM 812 O TYR A 54 5.215 6.339 6.036 1.00 0.00 O ATOM 813 CB TYR A 54 8.575 7.069 6.820 1.00 0.00 C ATOM 814 CG TYR A 54 9.590 8.158 7.100 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.438 8.603 6.100 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.704 8.738 8.359 1.00 0.00 C ATOM 817 CE1 TYR A 54 11.369 9.590 6.334 1.00 0.00 C ATOM 818 CE2 TYR A 54 10.636 9.731 8.603 1.00 0.00 C ATOM 819 CZ TYR A 54 11.467 10.152 7.583 1.00 0.00 C ATOM 820 OH TYR A 54 12.409 11.141 7.818 1.00 0.00 O ATOM 0 H TYR A 54 6.443 7.978 8.095 1.00 0.00 H new ATOM 0 HA TYR A 54 7.481 8.197 5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.358 6.543 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.018 6.342 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.368 8.166 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.056 8.409 9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.020 9.921 5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.713 10.174 9.585 1.00 0.00 H new ATOM 0 HH TYR A 54 12.349 11.435 8.751 1.00 0.00 H new ATOM 830 N ASP A 55 7.036 5.535 4.977 1.00 0.00 N ATOM 831 CA ASP A 55 6.392 4.341 4.435 1.00 0.00 C ATOM 832 C ASP A 55 5.991 3.458 5.606 1.00 0.00 C ATOM 833 O ASP A 55 6.763 3.340 6.576 1.00 0.00 O ATOM 834 CB ASP A 55 7.356 3.602 3.501 1.00 0.00 C ATOM 835 CG ASP A 55 7.942 4.495 2.422 1.00 0.00 C ATOM 836 OD1 ASP A 55 7.190 4.997 1.567 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.181 4.693 2.408 1.00 0.00 O ATOM 0 H ASP A 55 8.017 5.625 4.713 1.00 0.00 H new ATOM 0 HA ASP A 55 5.510 4.610 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.167 3.174 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.831 2.771 3.031 1.00 0.00 H new ATOM 842 N GLU A 56 4.847 2.816 5.529 1.00 0.00 N ATOM 843 CA GLU A 56 4.272 2.199 6.716 1.00 0.00 C ATOM 844 C GLU A 56 3.741 0.760 6.481 1.00 0.00 C ATOM 845 O GLU A 56 3.425 0.384 5.364 1.00 0.00 O ATOM 846 CB GLU A 56 3.190 3.177 7.271 1.00 0.00 C ATOM 847 CG GLU A 56 2.392 2.691 8.470 1.00 0.00 C ATOM 848 CD GLU A 56 1.512 3.767 9.051 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.051 4.688 9.716 1.00 0.00 O ATOM 850 OE2 GLU A 56 0.282 3.713 8.887 1.00 0.00 O ATOM 0 H GLU A 56 4.300 2.705 4.675 1.00 0.00 H new ATOM 0 HA GLU A 56 5.053 2.049 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.681 4.111 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.492 3.407 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.775 1.843 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.078 2.333 9.238 1.00 0.00 H new ATOM 857 N TRP A 57 3.718 -0.049 7.552 1.00 0.00 N ATOM 858 CA TRP A 57 3.189 -1.420 7.506 1.00 0.00 C ATOM 859 C TRP A 57 1.709 -1.400 7.742 1.00 0.00 C ATOM 860 O TRP A 57 1.262 -0.990 8.834 1.00 0.00 O ATOM 861 CB TRP A 57 3.784 -2.289 8.614 1.00 0.00 C ATOM 862 CG TRP A 57 5.198 -2.665 8.457 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.272 -2.085 9.042 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.690 -3.736 7.671 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.417 -2.734 8.663 1.00 0.00 N ATOM 866 CE2 TRP A 57 7.083 -3.752 7.811 1.00 0.00 C ATOM 867 CE3 TRP A 57 5.078 -4.680 6.855 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.879 -4.680 7.164 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.858 -5.594 6.212 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.248 -5.590 6.369 1.00 0.00 C ATOM 0 H TRP A 57 4.064 0.228 8.471 1.00 0.00 H new ATOM 0 HA TRP A 57 3.445 -1.825 6.527 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.673 -1.760 9.561 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.193 -3.202 8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.232 -1.236 9.709 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.362 -2.498 8.966 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.005 -4.689 6.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.952 -4.683 7.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.397 -6.332 5.572 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.838 -6.328 5.846 1.00 0.00 H new ATOM 881 N ILE A 58 0.929 -1.825 6.777 1.00 0.00 N ATOM 882 CA ILE A 58 -0.514 -1.839 6.959 1.00 0.00 C ATOM 883 C ILE A 58 -1.095 -3.102 6.310 1.00 0.00 C ATOM 884 O ILE A 58 -0.499 -3.650 5.395 1.00 0.00 O ATOM 885 CB ILE A 58 -1.207 -0.585 6.346 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.356 0.680 6.553 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.543 -0.390 7.053 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.851 1.887 5.815 1.00 0.00 C ATOM 0 H ILE A 58 1.255 -2.161 5.871 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.706 -1.829 8.032 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.338 -0.742 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.321 0.909 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.666 0.471 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.049 0.483 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.165 -1.273 6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.372 -0.241 8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.193 2.732 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.859 1.681 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.862 2.127 6.146 1.00 0.00 H new ATOM 900 N TYR A 59 -2.226 -3.564 6.814 1.00 0.00 N ATOM 901 CA TYR A 59 -2.900 -4.758 6.319 1.00 0.00 C ATOM 902 C TYR A 59 -3.656 -4.421 5.048 1.00 0.00 C ATOM 903 O TYR A 59 -4.081 -3.260 4.866 1.00 0.00 O ATOM 904 CB TYR A 59 -3.927 -5.255 7.343 1.00 0.00 C ATOM 905 CG TYR A 59 -3.484 -5.224 8.782 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.591 -6.147 9.289 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.978 -4.256 9.636 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.205 -6.098 10.613 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.600 -4.204 10.954 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.714 -5.125 11.439 1.00 0.00 C ATOM 911 OH TYR A 59 -2.335 -5.075 12.760 1.00 0.00 O ATOM 0 H TYR A 59 -2.712 -3.115 7.591 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.146 -5.524 6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.829 -4.651 7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.200 -6.279 7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.191 -6.915 8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.677 -3.525 9.258 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.504 -6.823 10.999 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.000 -3.440 11.604 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.787 -4.326 13.202 1.00 0.00 H new ATOM 921 N TRP A 60 -3.863 -5.409 4.192 1.00 0.00 N ATOM 922 CA TRP A 60 -4.617 -5.210 2.965 1.00 0.00 C ATOM 923 C TRP A 60 -6.081 -4.879 3.228 1.00 0.00 C ATOM 924 O TRP A 60 -6.748 -5.538 4.021 1.00 0.00 O ATOM 925 CB TRP A 60 -4.450 -6.358 1.949 1.00 0.00 C ATOM 926 CG TRP A 60 -3.998 -7.679 2.502 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.710 -8.551 3.266 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.723 -8.289 2.275 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.943 -9.652 3.557 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.714 -9.516 2.952 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.582 -7.902 1.567 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.603 -10.367 2.940 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.489 -8.735 1.553 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.502 -9.953 2.234 1.00 0.00 C ATOM 0 H TRP A 60 -3.518 -6.360 4.325 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.176 -4.332 2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.404 -6.508 1.443 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.733 -6.042 1.191 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.728 -8.400 3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.237 -10.443 4.129 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.559 -6.961 1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.612 -11.311 3.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.395 -8.442 1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.374 -10.584 2.205 1.00 0.00 H new ATOM 945 N ASP A 61 -6.534 -3.799 2.574 1.00 0.00 N ATOM 946 CA ASP A 61 -7.891 -3.203 2.716 1.00 0.00 C ATOM 947 C ASP A 61 -8.378 -3.062 4.128 1.00 0.00 C ATOM 948 O ASP A 61 -9.571 -3.143 4.397 1.00 0.00 O ATOM 949 CB ASP A 61 -8.992 -3.739 1.766 1.00 0.00 C ATOM 950 CG ASP A 61 -9.226 -5.241 1.782 1.00 0.00 C ATOM 951 OD1 ASP A 61 -9.713 -5.785 2.807 1.00 0.00 O ATOM 952 OD2 ASP A 61 -8.949 -5.908 0.772 1.00 0.00 O ATOM 0 H ASP A 61 -5.953 -3.292 1.906 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.699 -2.192 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.930 -3.244 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.738 -3.444 0.748 1.00 0.00 H new ATOM 957 N SER A 62 -7.461 -2.769 5.007 1.00 0.00 N ATOM 958 CA SER A 62 -7.750 -2.532 6.388 1.00 0.00 C ATOM 959 C SER A 62 -8.672 -1.314 6.533 1.00 0.00 C ATOM 960 O SER A 62 -9.848 -1.442 6.899 1.00 0.00 O ATOM 961 CB SER A 62 -6.428 -2.322 7.095 1.00 0.00 C ATOM 962 OG SER A 62 -5.587 -1.473 6.304 1.00 0.00 O ATOM 0 H SER A 62 -6.471 -2.687 4.775 1.00 0.00 H new ATOM 0 HA SER A 62 -8.273 -3.378 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.595 -1.874 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.938 -3.281 7.263 1.00 0.00 H new ATOM 0 HG SER A 62 -4.905 -2.015 5.855 1.00 0.00 H new ATOM 968 N ASN A 63 -8.145 -0.155 6.205 1.00 0.00 N ATOM 969 CA ASN A 63 -8.916 1.077 6.215 1.00 0.00 C ATOM 970 C ASN A 63 -8.703 1.823 4.917 1.00 0.00 C ATOM 971 O ASN A 63 -9.548 1.808 4.037 1.00 0.00 O ATOM 972 CB ASN A 63 -8.575 1.986 7.423 1.00 0.00 C ATOM 973 CG ASN A 63 -8.961 1.391 8.770 1.00 0.00 C ATOM 974 OD1 ASN A 63 -10.087 1.559 9.236 1.00 0.00 O ATOM 975 ND2 ASN A 63 -8.039 0.730 9.412 1.00 0.00 N ATOM 0 H ASN A 63 -7.172 -0.036 5.924 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.966 0.803 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.504 2.191 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.083 2.943 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.241 0.334 10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.115 0.609 8.997 1.00 0.00 H new ATOM 982 N ARG A 64 -7.544 2.410 4.760 1.00 0.00 N ATOM 983 CA ARG A 64 -7.254 3.169 3.553 1.00 0.00 C ATOM 984 C ARG A 64 -6.323 2.363 2.629 1.00 0.00 C ATOM 985 O ARG A 64 -5.441 2.896 1.992 1.00 0.00 O ATOM 986 CB ARG A 64 -6.668 4.571 3.897 1.00 0.00 C ATOM 987 CG ARG A 64 -5.214 4.679 4.297 1.00 0.00 C ATOM 988 CD ARG A 64 -4.876 4.027 5.599 1.00 0.00 C ATOM 989 NE ARG A 64 -3.636 4.598 6.142 1.00 0.00 N ATOM 990 CZ ARG A 64 -2.903 4.120 7.163 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.333 3.101 7.898 1.00 0.00 N ATOM 992 NH2 ARG A 64 -1.749 4.710 7.470 1.00 0.00 N ATOM 0 H ARG A 64 -6.786 2.382 5.442 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.186 3.342 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.819 5.213 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.265 4.987 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.601 4.234 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.944 5.733 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.692 4.168 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.759 2.953 5.457 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.294 5.449 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.233 2.667 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.763 2.752 8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.429 5.516 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.185 4.356 8.242 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.567 1.076 2.532 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.751 0.190 1.692 1.00 0.00 C ATOM 1008 C LEU A 65 -6.634 -0.528 0.691 1.00 0.00 C ATOM 1009 O LEU A 65 -7.775 -0.838 0.991 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.926 -0.816 2.553 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.644 -0.285 3.218 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.676 0.252 2.180 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.946 0.768 4.255 1.00 0.00 C ATOM 0 H LEU A 65 -7.327 0.605 3.023 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.031 0.799 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.577 -1.204 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.653 -1.659 1.919 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.174 -1.126 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.778 0.621 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.406 -0.545 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.147 1.066 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.015 1.117 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.459 1.606 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.583 0.343 5.031 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.134 -0.713 -0.501 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.845 -1.398 -1.563 1.00 0.00 C ATOM 1027 C ARG A 66 -5.972 -2.377 -2.306 1.00 0.00 C ATOM 1028 O ARG A 66 -4.834 -2.025 -2.768 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.442 -0.443 -2.595 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.884 -0.058 -2.374 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.374 0.772 -3.542 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.814 1.033 -3.492 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.584 1.195 -4.581 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.054 1.098 -5.804 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.876 1.438 -4.452 1.00 0.00 N ATOM 0 H ARG A 66 -5.206 -0.389 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.647 -1.927 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.841 0.466 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.354 -0.901 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.497 -0.953 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.982 0.507 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.838 1.721 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.135 0.257 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.259 1.096 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.060 0.900 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.644 1.222 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.292 1.503 -3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.457 1.560 -5.281 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.484 -3.626 -2.436 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.895 -4.651 -3.281 1.00 0.00 C ATOM 1051 C PRO A 67 -6.173 -4.306 -4.748 1.00 0.00 C ATOM 1052 O PRO A 67 -6.155 -3.145 -5.129 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.654 -5.922 -2.863 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.968 -5.433 -2.399 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.695 -4.122 -1.739 1.00 0.00 C ATOM 0 HA PRO A 67 -4.815 -4.755 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.761 -6.613 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.128 -6.456 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.660 -5.316 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.425 -6.136 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.533 -3.434 -1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.522 -4.240 -0.669 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.431 -5.284 -5.554 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.718 -5.068 -6.966 1.00 0.00 C ATOM 1065 C LEU A 68 -8.149 -4.605 -7.138 1.00 0.00 C ATOM 1066 O LEU A 68 -8.918 -5.244 -7.871 1.00 0.00 O ATOM 1067 CB LEU A 68 -6.574 -6.377 -7.659 1.00 0.00 C ATOM 1068 CG LEU A 68 -6.143 -6.337 -9.120 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.841 -5.580 -9.266 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -6.000 -7.743 -9.659 1.00 0.00 C ATOM 0 H LEU A 68 -6.453 -6.263 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.040 -4.317 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.849 -6.976 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.529 -6.899 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.909 -5.818 -9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.547 -5.561 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.971 -4.559 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.065 -6.074 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.692 -7.703 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.249 -8.280 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.956 -8.261 -9.583 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.517 -3.505 -6.428 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.877 -2.900 -6.418 1.00 0.00 C ATOM 1084 C GLU A 69 -10.973 -3.937 -6.197 1.00 0.00 C ATOM 1085 O GLU A 69 -12.151 -3.718 -6.512 1.00 0.00 O ATOM 1086 CB GLU A 69 -10.111 -2.014 -7.649 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.754 -2.645 -8.973 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.809 -1.663 -10.094 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.843 -0.886 -10.252 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -10.812 -1.637 -10.838 1.00 0.00 O ATOM 0 H GLU A 69 -7.860 -3.002 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.932 -2.238 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.162 -1.725 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.531 -1.098 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.752 -3.071 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.438 -3.468 -9.178 1.00 0.00 H new ATOM 1097 N ARG A 70 -10.554 -5.013 -5.564 1.00 0.00 N ATOM 1098 CA ARG A 70 -11.338 -6.174 -5.252 1.00 0.00 C ATOM 1099 C ARG A 70 -11.842 -6.948 -6.450 1.00 0.00 C ATOM 1100 O ARG A 70 -12.875 -6.609 -7.052 1.00 0.00 O ATOM 1101 CB ARG A 70 -12.424 -5.927 -4.209 1.00 0.00 C ATOM 1102 CG ARG A 70 -11.886 -5.920 -2.810 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.280 -7.271 -2.518 1.00 0.00 C ATOM 1104 NE ARG A 70 -10.700 -7.361 -1.181 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.574 -8.492 -0.490 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -10.954 -9.651 -1.020 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -10.045 -8.449 0.711 1.00 0.00 N ATOM 0 H ARG A 70 -9.592 -5.098 -5.235 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.615 -6.839 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -12.909 -4.972 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -13.189 -6.698 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.136 -5.137 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.683 -5.702 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.047 -8.038 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.508 -7.484 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.369 -6.499 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.345 -9.677 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.854 -10.514 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.738 -7.558 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.941 -9.306 1.254 1.00 0.00 H new