USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 6 THR OG1 : rot -88:sc= 0.696 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 1.27 (180deg=0.523) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc=-0.00214 (180deg=-0.13) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0011 K(o=-0.0011,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.989 (180deg=0.808) USER MOD Single : A 30 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.054) USER MOD Single : A 34 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.018) USER MOD Single : A 37 GLN : amide:sc=-0.000158 K(o=-0.00016,f=-0.85) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 47 GLN : amide:sc= -0.776 K(o=-0.78,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.139 8.520 -1.858 1.00 0.00 N ATOM 35 CA LEU A 3 -4.870 9.095 -0.552 1.00 0.00 C ATOM 36 C LEU A 3 -3.478 9.721 -0.515 1.00 0.00 C ATOM 37 O LEU A 3 -2.754 9.692 -1.511 1.00 0.00 O ATOM 38 CB LEU A 3 -5.006 8.009 0.509 1.00 0.00 C ATOM 39 CG LEU A 3 -6.343 7.264 0.501 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.371 6.223 1.598 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.501 8.234 0.667 1.00 0.00 C ATOM 0 HA LEU A 3 -5.592 9.886 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.203 7.285 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.864 8.461 1.491 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.450 6.763 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.328 5.701 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.564 5.507 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.241 6.710 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.441 7.683 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.399 8.763 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.494 8.953 -0.153 1.00 0.00 H new ATOM 53 N ARG A 4 -3.110 10.309 0.617 1.00 0.00 N ATOM 54 CA ARG A 4 -1.778 10.874 0.775 1.00 0.00 C ATOM 55 C ARG A 4 -0.758 9.774 1.021 1.00 0.00 C ATOM 56 O ARG A 4 -0.694 9.190 2.109 1.00 0.00 O ATOM 57 CB ARG A 4 -1.727 11.894 1.914 1.00 0.00 C ATOM 58 CG ARG A 4 -2.337 13.238 1.560 1.00 0.00 C ATOM 59 CD ARG A 4 -2.059 14.274 2.639 1.00 0.00 C ATOM 60 NE ARG A 4 -2.604 15.586 2.291 1.00 0.00 N ATOM 61 CZ ARG A 4 -2.080 16.746 2.697 1.00 0.00 C ATOM 62 NH1 ARG A 4 -1.000 16.768 3.465 1.00 0.00 N ATOM 63 NH2 ARG A 4 -2.644 17.891 2.343 1.00 0.00 N ATOM 0 H ARG A 4 -3.712 10.406 1.434 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.533 11.391 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.249 11.485 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.688 12.043 2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.933 13.584 0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.413 13.128 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.491 13.940 3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.983 14.357 2.793 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.436 15.617 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.560 15.893 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.608 17.659 3.769 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.480 17.888 1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.242 18.775 2.654 1.00 0.00 H new ATOM 77 N TRP A 5 0.024 9.479 -0.002 1.00 0.00 N ATOM 78 CA TRP A 5 1.069 8.478 0.101 1.00 0.00 C ATOM 79 C TRP A 5 2.344 9.101 0.645 1.00 0.00 C ATOM 80 O TRP A 5 2.839 10.088 0.101 1.00 0.00 O ATOM 81 CB TRP A 5 1.349 7.836 -1.261 1.00 0.00 C ATOM 82 CG TRP A 5 0.243 6.959 -1.760 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.970 7.354 -2.241 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.260 5.533 -1.836 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.717 6.257 -2.595 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.980 5.129 -2.360 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.205 4.553 -1.501 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.301 3.791 -2.563 1.00 0.00 C ATOM 89 CZ3 TRP A 5 0.885 3.225 -1.707 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.359 2.855 -2.233 1.00 0.00 C ATOM 0 H TRP A 5 -0.046 9.922 -0.918 1.00 0.00 H new ATOM 0 HA TRP A 5 0.726 7.703 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.532 8.624 -1.992 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.263 7.247 -1.192 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.296 8.380 -2.331 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.665 6.280 -2.971 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.164 4.831 -1.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.260 3.501 -2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.606 2.460 -1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.580 1.808 -2.381 1.00 0.00 H new ATOM 101 N THR A 6 2.863 8.532 1.725 1.00 0.00 N ATOM 102 CA THR A 6 4.126 8.981 2.281 1.00 0.00 C ATOM 103 C THR A 6 5.267 8.567 1.358 1.00 0.00 C ATOM 104 O THR A 6 5.129 7.617 0.586 1.00 0.00 O ATOM 105 CB THR A 6 4.355 8.400 3.694 1.00 0.00 C ATOM 106 OG1 THR A 6 4.231 6.973 3.672 1.00 0.00 O ATOM 107 CG2 THR A 6 3.360 8.970 4.689 1.00 0.00 C ATOM 0 H THR A 6 2.428 7.760 2.230 1.00 0.00 H new ATOM 0 HA THR A 6 4.096 10.067 2.365 1.00 0.00 H new ATOM 0 HB THR A 6 5.362 8.677 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.295 6.724 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.546 8.543 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.472 10.053 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.347 8.724 4.372 1.00 0.00 H new ATOM 115 N SER A 7 6.381 9.280 1.423 1.00 0.00 N ATOM 116 CA SER A 7 7.531 8.985 0.572 1.00 0.00 C ATOM 117 C SER A 7 7.991 7.538 0.753 1.00 0.00 C ATOM 118 O SER A 7 8.369 6.866 -0.212 1.00 0.00 O ATOM 119 CB SER A 7 8.672 9.945 0.893 1.00 0.00 C ATOM 120 OG SER A 7 8.228 11.291 0.835 1.00 0.00 O ATOM 0 H SER A 7 6.516 10.068 2.056 1.00 0.00 H new ATOM 0 HA SER A 7 7.232 9.116 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.066 9.730 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.489 9.796 0.187 1.00 0.00 H new ATOM 0 HG SER A 7 8.974 11.891 1.046 1.00 0.00 H new ATOM 126 N GLU A 8 7.929 7.052 1.988 1.00 0.00 N ATOM 127 CA GLU A 8 8.307 5.679 2.288 1.00 0.00 C ATOM 128 C GLU A 8 7.285 4.704 1.711 1.00 0.00 C ATOM 129 O GLU A 8 7.644 3.641 1.209 1.00 0.00 O ATOM 130 CB GLU A 8 8.444 5.484 3.796 1.00 0.00 C ATOM 131 CG GLU A 8 9.476 6.404 4.426 1.00 0.00 C ATOM 132 CD GLU A 8 9.661 6.150 5.905 1.00 0.00 C ATOM 133 OE1 GLU A 8 8.796 6.569 6.697 1.00 0.00 O ATOM 134 OE2 GLU A 8 10.680 5.533 6.284 1.00 0.00 O ATOM 0 H GLU A 8 7.620 7.591 2.797 1.00 0.00 H new ATOM 0 HA GLU A 8 9.272 5.476 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.477 5.656 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.718 4.449 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.431 6.274 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.173 7.440 4.275 1.00 0.00 H new ATOM 141 N ALA A 9 6.011 5.082 1.766 1.00 0.00 N ATOM 142 CA ALA A 9 4.949 4.265 1.196 1.00 0.00 C ATOM 143 C ALA A 9 5.094 4.190 -0.317 1.00 0.00 C ATOM 144 O ALA A 9 4.953 3.124 -0.910 1.00 0.00 O ATOM 145 CB ALA A 9 3.583 4.819 1.571 1.00 0.00 C ATOM 0 H ALA A 9 5.691 5.948 2.199 1.00 0.00 H new ATOM 0 HA ALA A 9 5.033 3.258 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.804 4.193 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.478 4.825 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.486 5.836 1.191 1.00 0.00 H new ATOM 151 N LYS A 10 5.379 5.330 -0.933 1.00 0.00 N ATOM 152 CA LYS A 10 5.621 5.395 -2.371 1.00 0.00 C ATOM 153 C LYS A 10 6.790 4.500 -2.767 1.00 0.00 C ATOM 154 O LYS A 10 6.723 3.784 -3.764 1.00 0.00 O ATOM 155 CB LYS A 10 5.896 6.841 -2.791 1.00 0.00 C ATOM 156 CG LYS A 10 4.704 7.764 -2.598 1.00 0.00 C ATOM 157 CD LYS A 10 5.093 9.225 -2.755 1.00 0.00 C ATOM 158 CE LYS A 10 5.682 9.518 -4.127 1.00 0.00 C ATOM 159 NZ LYS A 10 6.063 10.947 -4.267 1.00 0.00 N ATOM 0 H LYS A 10 5.449 6.229 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 10 4.729 5.037 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.739 7.224 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.192 6.857 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.929 7.514 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.278 7.605 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.216 9.852 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.818 9.491 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.558 8.890 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.957 9.257 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.460 11.109 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.222 11.545 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.774 11.189 -3.547 1.00 0.00 H new ATOM 173 N THR A 11 7.850 4.534 -1.970 1.00 0.00 N ATOM 174 CA THR A 11 9.026 3.716 -2.229 1.00 0.00 C ATOM 175 C THR A 11 8.701 2.228 -2.055 1.00 0.00 C ATOM 176 O THR A 11 9.209 1.377 -2.784 1.00 0.00 O ATOM 177 CB THR A 11 10.188 4.108 -1.294 1.00 0.00 C ATOM 178 OG1 THR A 11 10.412 5.526 -1.367 1.00 0.00 O ATOM 179 CG2 THR A 11 11.466 3.368 -1.673 1.00 0.00 C ATOM 0 H THR A 11 7.919 5.120 -1.138 1.00 0.00 H new ATOM 0 HA THR A 11 9.332 3.893 -3.260 1.00 0.00 H new ATOM 0 HB THR A 11 9.917 3.830 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.751 5.991 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.270 3.662 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.301 2.293 -1.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.742 3.619 -2.697 1.00 0.00 H new ATOM 187 N LYS A 12 7.843 1.925 -1.089 1.00 0.00 N ATOM 188 CA LYS A 12 7.403 0.555 -0.859 1.00 0.00 C ATOM 189 C LYS A 12 6.467 0.092 -1.967 1.00 0.00 C ATOM 190 O LYS A 12 6.512 -1.064 -2.384 1.00 0.00 O ATOM 191 CB LYS A 12 6.708 0.439 0.495 1.00 0.00 C ATOM 192 CG LYS A 12 7.666 0.275 1.658 1.00 0.00 C ATOM 193 CD LYS A 12 8.330 -1.090 1.628 1.00 0.00 C ATOM 194 CE LYS A 12 9.199 -1.302 2.850 1.00 0.00 C ATOM 195 NZ LYS A 12 9.705 -2.697 2.943 1.00 0.00 N ATOM 0 H LYS A 12 7.438 2.610 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 12 8.284 -0.087 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.100 1.329 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.028 -0.412 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.427 1.054 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.128 0.401 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.568 -1.868 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.936 -1.183 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.043 -0.613 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.627 -1.064 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.964 -2.908 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.964 -3.357 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.542 -2.804 2.335 1.00 0.00 H new ATOM 209 N LEU A 13 5.622 0.996 -2.445 1.00 0.00 N ATOM 210 CA LEU A 13 4.710 0.684 -3.537 1.00 0.00 C ATOM 211 C LEU A 13 5.497 0.352 -4.797 1.00 0.00 C ATOM 212 O LEU A 13 5.172 -0.591 -5.513 1.00 0.00 O ATOM 213 CB LEU A 13 3.757 1.858 -3.802 1.00 0.00 C ATOM 214 CG LEU A 13 2.703 1.611 -4.884 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.750 0.501 -4.461 1.00 0.00 C ATOM 216 CD2 LEU A 13 1.939 2.892 -5.182 1.00 0.00 C ATOM 0 H LEU A 13 5.549 1.951 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 13 4.115 -0.183 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.247 2.108 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.349 2.728 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 13 3.211 1.294 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.008 0.340 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.312 -0.419 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.247 0.786 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.193 2.700 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.443 3.239 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.633 3.657 -5.531 1.00 0.00 H new ATOM 228 N LYS A 14 6.550 1.124 -5.048 1.00 0.00 N ATOM 229 CA LYS A 14 7.408 0.900 -6.205 1.00 0.00 C ATOM 230 C LYS A 14 8.274 -0.338 -6.010 1.00 0.00 C ATOM 231 O LYS A 14 8.872 -0.841 -6.958 1.00 0.00 O ATOM 232 CB LYS A 14 8.287 2.124 -6.458 1.00 0.00 C ATOM 233 CG LYS A 14 7.502 3.374 -6.814 1.00 0.00 C ATOM 234 CD LYS A 14 8.407 4.591 -6.913 1.00 0.00 C ATOM 235 CE LYS A 14 7.622 5.843 -7.271 1.00 0.00 C ATOM 236 NZ LYS A 14 7.035 5.762 -8.633 1.00 0.00 N ATOM 0 H LYS A 14 6.829 1.912 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 14 6.770 0.737 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.885 2.322 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.983 1.900 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.988 3.224 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.735 3.550 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.921 4.742 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.175 4.414 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.826 5.993 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.278 6.712 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.671 6.696 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.766 5.461 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.257 5.072 -8.635 1.00 0.00 H new ATOM 250 N ASN A 15 8.341 -0.817 -4.776 1.00 0.00 N ATOM 251 CA ASN A 15 9.092 -2.025 -4.463 1.00 0.00 C ATOM 252 C ASN A 15 8.292 -3.244 -4.906 1.00 0.00 C ATOM 253 O ASN A 15 8.848 -4.306 -5.199 1.00 0.00 O ATOM 254 CB ASN A 15 9.366 -2.100 -2.959 1.00 0.00 C ATOM 255 CG ASN A 15 10.528 -3.008 -2.612 1.00 0.00 C ATOM 256 OD1 ASN A 15 10.368 -4.219 -2.448 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.699 -2.415 -2.461 1.00 0.00 N ATOM 0 H ASN A 15 7.883 -0.386 -3.973 1.00 0.00 H new ATOM 0 HA ASN A 15 10.045 -2.003 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.571 -1.098 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.470 -2.455 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.518 -2.963 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.784 -1.409 -2.607 1.00 0.00 H new ATOM 264 N ILE A 16 6.977 -3.059 -4.960 1.00 0.00 N ATOM 265 CA ILE A 16 6.057 -4.103 -5.376 1.00 0.00 C ATOM 266 C ILE A 16 6.030 -4.192 -6.901 1.00 0.00 C ATOM 267 O ILE A 16 5.966 -3.167 -7.583 1.00 0.00 O ATOM 268 CB ILE A 16 4.633 -3.818 -4.834 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.669 -3.701 -3.308 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.648 -4.902 -5.264 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.333 -3.356 -2.688 1.00 0.00 C ATOM 0 H ILE A 16 6.522 -2.179 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 16 6.398 -5.054 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 16 4.290 -2.873 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.020 -4.644 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.396 -2.938 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.659 -4.673 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.603 -4.942 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.978 -5.867 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.440 -3.291 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.988 -2.398 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.607 -4.130 -2.935 1.00 0.00 H new ATOM 283 N PRO A 17 6.098 -5.421 -7.453 1.00 0.00 N ATOM 284 CA PRO A 17 6.101 -5.648 -8.901 1.00 0.00 C ATOM 285 C PRO A 17 4.958 -4.921 -9.601 1.00 0.00 C ATOM 286 O PRO A 17 3.827 -4.931 -9.118 1.00 0.00 O ATOM 287 CB PRO A 17 5.934 -7.171 -9.041 1.00 0.00 C ATOM 288 CG PRO A 17 5.582 -7.666 -7.675 1.00 0.00 C ATOM 289 CD PRO A 17 6.176 -6.682 -6.711 1.00 0.00 C ATOM 0 HA PRO A 17 7.012 -5.269 -9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.151 -7.415 -9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.853 -7.634 -9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.501 -7.730 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.982 -8.666 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.614 -6.639 -5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.204 -6.937 -6.453 1.00 0.00 H new ATOM 297 N PHE A 18 5.256 -4.307 -10.745 1.00 0.00 N ATOM 298 CA PHE A 18 4.269 -3.502 -11.472 1.00 0.00 C ATOM 299 C PHE A 18 3.037 -4.331 -11.826 1.00 0.00 C ATOM 300 O PHE A 18 1.941 -3.798 -11.987 1.00 0.00 O ATOM 301 CB PHE A 18 4.888 -2.902 -12.745 1.00 0.00 C ATOM 302 CG PHE A 18 5.282 -3.919 -13.784 1.00 0.00 C ATOM 303 CD1 PHE A 18 6.523 -4.532 -13.739 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.410 -4.261 -14.808 1.00 0.00 C ATOM 305 CE1 PHE A 18 6.888 -5.465 -14.690 1.00 0.00 C ATOM 306 CE2 PHE A 18 4.769 -5.191 -15.762 1.00 0.00 C ATOM 307 CZ PHE A 18 6.009 -5.796 -15.703 1.00 0.00 C ATOM 0 H PHE A 18 6.173 -4.350 -11.191 1.00 0.00 H new ATOM 0 HA PHE A 18 3.957 -2.688 -10.818 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.176 -2.206 -13.187 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.769 -2.323 -12.468 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.215 -4.277 -12.950 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.438 -3.793 -14.859 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.859 -5.935 -14.642 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.081 -5.446 -16.554 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.291 -6.526 -16.447 1.00 0.00 H new ATOM 317 N PHE A 19 3.230 -5.637 -11.924 1.00 0.00 N ATOM 318 CA PHE A 19 2.159 -6.568 -12.248 1.00 0.00 C ATOM 319 C PHE A 19 1.091 -6.585 -11.153 1.00 0.00 C ATOM 320 O PHE A 19 -0.092 -6.797 -11.425 1.00 0.00 O ATOM 321 CB PHE A 19 2.756 -7.967 -12.443 1.00 0.00 C ATOM 322 CG PHE A 19 1.752 -9.037 -12.753 1.00 0.00 C ATOM 323 CD1 PHE A 19 1.160 -9.111 -14.003 1.00 0.00 C ATOM 324 CD2 PHE A 19 1.402 -9.973 -11.793 1.00 0.00 C ATOM 325 CE1 PHE A 19 0.239 -10.098 -14.289 1.00 0.00 C ATOM 326 CE2 PHE A 19 0.480 -10.962 -12.073 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.102 -11.025 -13.323 1.00 0.00 C ATOM 0 H PHE A 19 4.136 -6.083 -11.781 1.00 0.00 H new ATOM 0 HA PHE A 19 1.674 -6.246 -13.169 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.486 -7.927 -13.252 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.297 -8.246 -11.539 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.422 -8.389 -14.762 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.856 -9.928 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.215 -10.146 -15.268 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.215 -11.685 -11.316 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.823 -11.798 -13.546 1.00 0.00 H new ATOM 337 N ALA A 20 1.512 -6.332 -9.920 1.00 0.00 N ATOM 338 CA ALA A 20 0.605 -6.390 -8.782 1.00 0.00 C ATOM 339 C ALA A 20 0.582 -5.067 -8.026 1.00 0.00 C ATOM 340 O ALA A 20 -0.033 -4.959 -6.968 1.00 0.00 O ATOM 341 CB ALA A 20 1.022 -7.517 -7.847 1.00 0.00 C ATOM 0 H ALA A 20 2.473 -6.085 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.400 -6.581 -9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.340 -7.556 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.989 -8.466 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.036 -7.337 -7.490 1.00 0.00 H new ATOM 347 N ARG A 21 1.239 -4.057 -8.582 1.00 0.00 N ATOM 348 CA ARG A 21 1.398 -2.779 -7.897 1.00 0.00 C ATOM 349 C ARG A 21 0.082 -2.008 -7.839 1.00 0.00 C ATOM 350 O ARG A 21 -0.281 -1.470 -6.795 1.00 0.00 O ATOM 351 CB ARG A 21 2.482 -1.943 -8.576 1.00 0.00 C ATOM 352 CG ARG A 21 2.808 -0.658 -7.838 1.00 0.00 C ATOM 353 CD ARG A 21 4.075 -0.011 -8.367 1.00 0.00 C ATOM 354 NE ARG A 21 3.951 0.405 -9.760 1.00 0.00 N ATOM 355 CZ ARG A 21 4.990 0.634 -10.557 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.223 0.417 -10.117 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.794 1.058 -11.798 1.00 0.00 N ATOM 0 H ARG A 21 1.671 -4.097 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 21 1.705 -2.985 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.389 -2.541 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.161 -1.699 -9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.976 0.039 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.924 -0.869 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.320 0.856 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.904 -0.713 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 21 3.014 0.527 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.373 0.075 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.021 0.592 -10.728 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.846 1.209 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.592 1.234 -12.409 1.00 0.00 H new ATOM 371 N SER A 22 -0.635 -1.965 -8.953 1.00 0.00 N ATOM 372 CA SER A 22 -1.915 -1.271 -8.996 1.00 0.00 C ATOM 373 C SER A 22 -2.931 -2.004 -8.126 1.00 0.00 C ATOM 374 O SER A 22 -3.752 -1.382 -7.445 1.00 0.00 O ATOM 375 CB SER A 22 -2.412 -1.159 -10.440 1.00 0.00 C ATOM 376 OG SER A 22 -3.502 -0.257 -10.547 1.00 0.00 O ATOM 0 H SER A 22 -0.355 -2.399 -9.833 1.00 0.00 H new ATOM 0 HA SER A 22 -1.787 -0.262 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.597 -0.824 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.716 -2.142 -10.798 1.00 0.00 H new ATOM 0 HG SER A 22 -3.795 -0.207 -11.481 1.00 0.00 H new ATOM 382 N GLN A 23 -2.849 -3.331 -8.137 1.00 0.00 N ATOM 383 CA GLN A 23 -3.691 -4.167 -7.291 1.00 0.00 C ATOM 384 C GLN A 23 -3.408 -3.874 -5.817 1.00 0.00 C ATOM 385 O GLN A 23 -4.331 -3.692 -5.019 1.00 0.00 O ATOM 386 CB GLN A 23 -3.432 -5.646 -7.609 1.00 0.00 C ATOM 387 CG GLN A 23 -4.225 -6.625 -6.754 1.00 0.00 C ATOM 388 CD GLN A 23 -5.723 -6.530 -6.977 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.417 -5.771 -6.302 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.238 -7.325 -7.900 1.00 0.00 N ATOM 0 H GLN A 23 -2.202 -3.853 -8.728 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.739 -3.944 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.668 -5.826 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.369 -5.851 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.894 -7.640 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.007 -6.439 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.630 -7.941 -8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.243 -7.322 -8.072 1.00 0.00 H new ATOM 399 N ALA A 24 -2.124 -3.812 -5.468 1.00 0.00 N ATOM 400 CA ALA A 24 -1.719 -3.514 -4.101 1.00 0.00 C ATOM 401 C ALA A 24 -2.183 -2.128 -3.690 1.00 0.00 C ATOM 402 O ALA A 24 -2.679 -1.943 -2.583 1.00 0.00 O ATOM 403 CB ALA A 24 -0.210 -3.626 -3.946 1.00 0.00 C ATOM 0 H ALA A 24 -1.350 -3.964 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.191 -4.247 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.068 -3.399 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.107 -4.639 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.278 -2.920 -4.618 1.00 0.00 H new ATOM 409 N LYS A 25 -2.033 -1.165 -4.592 1.00 0.00 N ATOM 410 CA LYS A 25 -2.453 0.206 -4.336 1.00 0.00 C ATOM 411 C LYS A 25 -3.916 0.255 -3.904 1.00 0.00 C ATOM 412 O LYS A 25 -4.263 0.926 -2.931 1.00 0.00 O ATOM 413 CB LYS A 25 -2.246 1.066 -5.585 1.00 0.00 C ATOM 414 CG LYS A 25 -2.671 2.511 -5.398 1.00 0.00 C ATOM 415 CD LYS A 25 -2.399 3.346 -6.637 1.00 0.00 C ATOM 416 CE LYS A 25 -2.762 4.807 -6.418 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.225 5.014 -6.237 1.00 0.00 N ATOM 0 H LYS A 25 -1.620 -1.311 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.841 0.603 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.193 1.038 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.809 0.634 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.734 2.549 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.139 2.939 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.345 3.268 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.971 2.950 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.235 5.181 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.419 5.394 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.402 5.990 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.714 4.845 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.583 4.351 -5.520 1.00 0.00 H new ATOM 431 N ALA A 26 -4.759 -0.481 -4.622 1.00 0.00 N ATOM 432 CA ALA A 26 -6.180 -0.543 -4.310 1.00 0.00 C ATOM 433 C ALA A 26 -6.404 -1.087 -2.903 1.00 0.00 C ATOM 434 O ALA A 26 -7.254 -0.591 -2.161 1.00 0.00 O ATOM 435 CB ALA A 26 -6.904 -1.404 -5.335 1.00 0.00 C ATOM 0 H ALA A 26 -4.480 -1.044 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.586 0.468 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.966 -1.443 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.775 -0.974 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.491 -2.412 -5.320 1.00 0.00 H new ATOM 441 N ARG A 27 -5.619 -2.098 -2.540 1.00 0.00 N ATOM 442 CA ARG A 27 -5.716 -2.714 -1.222 1.00 0.00 C ATOM 443 C ARG A 27 -5.263 -1.737 -0.141 1.00 0.00 C ATOM 444 O ARG A 27 -5.963 -1.526 0.845 1.00 0.00 O ATOM 445 CB ARG A 27 -4.858 -3.978 -1.150 1.00 0.00 C ATOM 446 CG ARG A 27 -5.096 -4.952 -2.289 1.00 0.00 C ATOM 447 CD ARG A 27 -6.519 -5.477 -2.306 1.00 0.00 C ATOM 448 NE ARG A 27 -6.759 -6.311 -3.480 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.078 -7.601 -3.427 1.00 0.00 C ATOM 450 NH1 ARG A 27 -7.283 -8.197 -2.260 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.217 -8.290 -4.553 1.00 0.00 N ATOM 0 H ARG A 27 -4.906 -2.508 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.759 -2.981 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.806 -3.691 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.055 -4.485 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.881 -4.459 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.403 -5.789 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.707 -6.055 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.218 -4.641 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.677 -5.877 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.196 -7.666 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.527 -9.187 -2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.079 -7.830 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.462 -9.280 -4.518 1.00 0.00 H new ATOM 465 N ILE A 28 -4.099 -1.136 -0.349 1.00 0.00 N ATOM 466 CA ILE A 28 -3.498 -0.227 0.625 1.00 0.00 C ATOM 467 C ILE A 28 -4.426 0.944 0.947 1.00 0.00 C ATOM 468 O ILE A 28 -4.646 1.272 2.117 1.00 0.00 O ATOM 469 CB ILE A 28 -2.152 0.322 0.106 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.193 -0.829 -0.196 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.538 1.270 1.127 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.021 -0.415 -0.995 1.00 0.00 C ATOM 0 H ILE A 28 -3.544 -1.263 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.330 -0.802 1.536 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.333 0.876 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.864 -1.272 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.730 -1.604 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.589 1.649 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.217 2.104 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.367 0.737 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.655 -1.284 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.297 0.001 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.582 0.337 -0.441 1.00 0.00 H new ATOM 484 N GLU A 29 -4.981 1.561 -0.086 1.00 0.00 N ATOM 485 CA GLU A 29 -5.861 2.705 0.100 1.00 0.00 C ATOM 486 C GLU A 29 -7.194 2.271 0.706 1.00 0.00 C ATOM 487 O GLU A 29 -7.870 3.058 1.370 1.00 0.00 O ATOM 488 CB GLU A 29 -6.067 3.442 -1.224 1.00 0.00 C ATOM 489 CG GLU A 29 -4.765 3.958 -1.815 1.00 0.00 C ATOM 490 CD GLU A 29 -4.966 4.748 -3.091 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.556 4.204 -4.047 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.517 5.910 -3.155 1.00 0.00 O ATOM 0 H GLU A 29 -4.838 1.290 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.389 3.395 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.545 2.772 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.748 4.279 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.263 4.587 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.105 3.115 -2.017 1.00 0.00 H new ATOM 499 N GLN A 30 -7.562 1.011 0.495 1.00 0.00 N ATOM 500 CA GLN A 30 -8.731 0.439 1.150 1.00 0.00 C ATOM 501 C GLN A 30 -8.456 0.297 2.642 1.00 0.00 C ATOM 502 O GLN A 30 -9.287 0.646 3.479 1.00 0.00 O ATOM 503 CB GLN A 30 -9.071 -0.923 0.546 1.00 0.00 C ATOM 504 CG GLN A 30 -10.295 -1.579 1.164 1.00 0.00 C ATOM 505 CD GLN A 30 -11.570 -0.799 0.909 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.941 0.080 1.686 1.00 0.00 O ATOM 507 NE2 GLN A 30 -12.254 -1.119 -0.178 1.00 0.00 N ATOM 0 H GLN A 30 -7.068 0.368 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.583 1.102 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.235 -0.804 -0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.215 -1.587 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.404 -2.586 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.144 -1.679 2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.913 -1.854 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.122 -0.630 -0.396 1.00 0.00 H new ATOM 516 N LEU A 31 -7.266 -0.199 2.959 1.00 0.00 N ATOM 517 CA LEU A 31 -6.834 -0.383 4.338 1.00 0.00 C ATOM 518 C LEU A 31 -6.839 0.944 5.088 1.00 0.00 C ATOM 519 O LEU A 31 -7.279 1.020 6.233 1.00 0.00 O ATOM 520 CB LEU A 31 -5.428 -0.984 4.370 1.00 0.00 C ATOM 521 CG LEU A 31 -5.274 -2.322 3.647 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.807 -2.701 3.539 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.059 -3.411 4.360 1.00 0.00 C ATOM 0 H LEU A 31 -6.574 -0.485 2.267 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.532 -1.063 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.735 -0.269 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.130 -1.115 5.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.677 -2.217 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.715 -3.656 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.273 -1.933 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.379 -2.787 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.936 -4.355 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.690 -3.517 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.115 -3.143 4.383 1.00 0.00 H new ATOM 535 N ALA A 32 -6.352 1.990 4.435 1.00 0.00 N ATOM 536 CA ALA A 32 -6.303 3.314 5.042 1.00 0.00 C ATOM 537 C ALA A 32 -7.705 3.879 5.258 1.00 0.00 C ATOM 538 O ALA A 32 -7.992 4.465 6.302 1.00 0.00 O ATOM 539 CB ALA A 32 -5.470 4.255 4.192 1.00 0.00 C ATOM 0 H ALA A 32 -5.985 1.948 3.484 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.831 3.218 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.443 5.240 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.455 3.866 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.912 4.336 3.199 1.00 0.00 H new ATOM 545 N ARG A 33 -8.584 3.692 4.281 1.00 0.00 N ATOM 546 CA ARG A 33 -9.967 4.135 4.425 1.00 0.00 C ATOM 547 C ARG A 33 -10.689 3.304 5.482 1.00 0.00 C ATOM 548 O ARG A 33 -11.656 3.757 6.092 1.00 0.00 O ATOM 549 CB ARG A 33 -10.713 4.063 3.092 1.00 0.00 C ATOM 550 CG ARG A 33 -10.266 5.117 2.091 1.00 0.00 C ATOM 551 CD ARG A 33 -11.134 5.103 0.844 1.00 0.00 C ATOM 552 NE ARG A 33 -10.991 3.861 0.083 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.018 3.099 -0.301 1.00 0.00 C ATOM 554 NH1 ARG A 33 -13.259 3.399 0.079 1.00 0.00 N ATOM 555 NH2 ARG A 33 -11.799 2.023 -1.049 1.00 0.00 N ATOM 0 H ARG A 33 -8.369 3.243 3.391 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.952 5.176 4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.568 3.074 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.781 4.177 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.309 6.102 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.227 4.940 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.178 5.234 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.868 5.948 0.209 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.050 3.559 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.429 4.215 0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.039 2.813 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.848 1.781 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.582 1.439 -1.344 1.00 0.00 H new ATOM 569 N GLN A 34 -10.213 2.086 5.694 1.00 0.00 N ATOM 570 CA GLN A 34 -10.718 1.238 6.763 1.00 0.00 C ATOM 571 C GLN A 34 -10.228 1.773 8.108 1.00 0.00 C ATOM 572 O GLN A 34 -10.936 1.721 9.115 1.00 0.00 O ATOM 573 CB GLN A 34 -10.243 -0.203 6.558 1.00 0.00 C ATOM 574 CG GLN A 34 -10.997 -1.229 7.388 1.00 0.00 C ATOM 575 CD GLN A 34 -10.439 -2.634 7.230 1.00 0.00 C ATOM 576 OE1 GLN A 34 -11.176 -3.619 7.291 1.00 0.00 O ATOM 577 NE2 GLN A 34 -9.130 -2.737 7.050 1.00 0.00 N ATOM 0 H GLN A 34 -9.473 1.661 5.136 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.808 1.247 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.343 -0.460 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.182 -0.263 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.956 -0.942 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.048 -1.225 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.554 -1.897 7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.699 -3.657 6.956 1.00 0.00 H new ATOM 586 N ALA A 35 -9.013 2.306 8.102 1.00 0.00 N ATOM 587 CA ALA A 35 -8.421 2.906 9.290 1.00 0.00 C ATOM 588 C ALA A 35 -8.909 4.343 9.481 1.00 0.00 C ATOM 589 O ALA A 35 -8.551 5.000 10.461 1.00 0.00 O ATOM 590 CB ALA A 35 -6.903 2.862 9.202 1.00 0.00 C ATOM 0 H ALA A 35 -8.413 2.335 7.278 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.737 2.328 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.473 3.314 10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.573 1.826 9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.573 3.415 8.322 1.00 0.00 H new ATOM 596 N GLU A 36 -9.707 4.824 8.522 1.00 0.00 N ATOM 597 CA GLU A 36 -10.354 6.141 8.609 1.00 0.00 C ATOM 598 C GLU A 36 -9.330 7.268 8.473 1.00 0.00 C ATOM 599 O GLU A 36 -9.549 8.387 8.947 1.00 0.00 O ATOM 600 CB GLU A 36 -11.127 6.273 9.927 1.00 0.00 C ATOM 601 CG GLU A 36 -12.198 5.210 10.112 1.00 0.00 C ATOM 602 CD GLU A 36 -12.811 5.235 11.493 1.00 0.00 C ATOM 603 OE1 GLU A 36 -12.213 4.655 12.422 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.898 5.825 11.662 1.00 0.00 O ATOM 0 H GLU A 36 -9.923 4.314 7.665 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.059 6.226 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.424 6.217 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.593 7.258 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.981 5.356 9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.764 4.227 9.929 1.00 0.00 H new ATOM 611 N GLN A 37 -8.228 6.977 7.801 1.00 0.00 N ATOM 612 CA GLN A 37 -7.169 7.958 7.608 1.00 0.00 C ATOM 613 C GLN A 37 -6.919 8.182 6.120 1.00 0.00 C ATOM 614 O GLN A 37 -7.304 7.359 5.291 1.00 0.00 O ATOM 615 CB GLN A 37 -5.888 7.486 8.299 1.00 0.00 C ATOM 616 CG GLN A 37 -5.383 6.147 7.789 1.00 0.00 C ATOM 617 CD GLN A 37 -4.203 5.621 8.581 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.069 5.892 9.773 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.342 4.864 7.923 1.00 0.00 N ATOM 0 H GLN A 37 -8.042 6.067 7.379 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.479 8.904 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.110 8.237 8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.069 7.413 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.194 5.420 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.096 6.247 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.491 4.664 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.529 4.480 8.404 1.00 0.00 H new ATOM 628 N ASP A 38 -6.279 9.295 5.789 1.00 0.00 N ATOM 629 CA ASP A 38 -6.000 9.637 4.397 1.00 0.00 C ATOM 630 C ASP A 38 -4.522 9.427 4.090 1.00 0.00 C ATOM 631 O ASP A 38 -4.112 9.391 2.939 1.00 0.00 O ATOM 632 CB ASP A 38 -6.399 11.091 4.124 1.00 0.00 C ATOM 633 CG ASP A 38 -6.229 11.501 2.673 1.00 0.00 C ATOM 634 OD1 ASP A 38 -7.185 11.334 1.883 1.00 0.00 O ATOM 635 OD2 ASP A 38 -5.156 12.033 2.319 1.00 0.00 O ATOM 0 H ASP A 38 -5.942 9.979 6.466 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.586 8.985 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.440 11.235 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.798 11.749 4.752 1.00 0.00 H new ATOM 640 N ILE A 39 -3.728 9.281 5.132 1.00 0.00 N ATOM 641 CA ILE A 39 -2.298 9.076 4.981 1.00 0.00 C ATOM 642 C ILE A 39 -1.957 7.599 5.099 1.00 0.00 C ATOM 643 O ILE A 39 -2.294 6.958 6.094 1.00 0.00 O ATOM 644 CB ILE A 39 -1.514 9.865 6.048 1.00 0.00 C ATOM 645 CG1 ILE A 39 -1.896 11.344 5.996 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.017 9.696 5.841 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.321 12.154 7.136 1.00 0.00 C ATOM 0 H ILE A 39 -4.050 9.301 6.100 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.013 9.436 3.992 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.772 9.472 7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.554 11.767 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.982 11.432 6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.522 10.260 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.244 8.641 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.258 10.067 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.632 13.194 7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.683 11.756 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.233 12.097 7.111 1.00 0.00 H new ATOM 659 N VAL A 40 -1.302 7.054 4.085 1.00 0.00 N ATOM 660 CA VAL A 40 -0.889 5.662 4.126 1.00 0.00 C ATOM 661 C VAL A 40 0.571 5.555 4.556 1.00 0.00 C ATOM 662 O VAL A 40 1.427 6.328 4.112 1.00 0.00 O ATOM 663 CB VAL A 40 -1.093 4.933 2.773 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.524 5.094 2.286 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.111 5.419 1.721 1.00 0.00 C ATOM 0 H VAL A 40 -1.047 7.550 3.231 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.528 5.168 4.858 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.900 3.873 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.645 4.575 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.208 4.670 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.746 6.153 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.285 4.885 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.250 6.488 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.908 5.233 2.061 1.00 0.00 H new ATOM 675 N THR A 41 0.843 4.625 5.450 1.00 0.00 N ATOM 676 CA THR A 41 2.192 4.396 5.923 1.00 0.00 C ATOM 677 C THR A 41 2.795 3.166 5.247 1.00 0.00 C ATOM 678 O THR A 41 2.063 2.306 4.743 1.00 0.00 O ATOM 679 CB THR A 41 2.202 4.220 7.453 1.00 0.00 C ATOM 680 OG1 THR A 41 1.243 3.223 7.835 1.00 0.00 O ATOM 681 CG2 THR A 41 1.876 5.538 8.144 1.00 0.00 C ATOM 0 H THR A 41 0.141 4.012 5.865 1.00 0.00 H new ATOM 0 HA THR A 41 2.798 5.265 5.667 1.00 0.00 H new ATOM 0 HB THR A 41 3.198 3.901 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.255 3.114 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.887 5.395 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.619 6.286 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.888 5.877 7.833 1.00 0.00 H new ATOM 689 N PRO A 42 4.136 3.068 5.208 1.00 0.00 N ATOM 690 CA PRO A 42 4.826 1.944 4.573 1.00 0.00 C ATOM 691 C PRO A 42 4.420 0.591 5.160 1.00 0.00 C ATOM 692 O PRO A 42 4.465 -0.421 4.466 1.00 0.00 O ATOM 693 CB PRO A 42 6.314 2.222 4.834 1.00 0.00 C ATOM 694 CG PRO A 42 6.341 3.242 5.920 1.00 0.00 C ATOM 695 CD PRO A 42 5.084 4.047 5.761 1.00 0.00 C ATOM 0 HA PRO A 42 4.577 1.875 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.837 1.314 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.808 2.591 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.379 2.767 6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.224 3.876 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.739 4.450 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.228 4.894 5.090 1.00 0.00 H new ATOM 703 N GLU A 43 4.014 0.579 6.431 1.00 0.00 N ATOM 704 CA GLU A 43 3.548 -0.651 7.068 1.00 0.00 C ATOM 705 C GLU A 43 2.327 -1.204 6.343 1.00 0.00 C ATOM 706 O GLU A 43 2.241 -2.401 6.089 1.00 0.00 O ATOM 707 CB GLU A 43 3.205 -0.434 8.549 1.00 0.00 C ATOM 708 CG GLU A 43 4.417 -0.233 9.449 1.00 0.00 C ATOM 709 CD GLU A 43 4.987 1.163 9.370 1.00 0.00 C ATOM 710 OE1 GLU A 43 4.483 2.052 10.085 1.00 0.00 O ATOM 711 OE2 GLU A 43 5.944 1.379 8.602 1.00 0.00 O ATOM 0 H GLU A 43 3.999 1.401 7.035 1.00 0.00 H new ATOM 0 HA GLU A 43 4.366 -1.369 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.554 0.436 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.638 -1.293 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.136 -0.447 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.190 -0.951 9.174 1.00 0.00 H new ATOM 718 N LEU A 44 1.392 -0.326 6.002 1.00 0.00 N ATOM 719 CA LEU A 44 0.184 -0.736 5.292 1.00 0.00 C ATOM 720 C LEU A 44 0.520 -1.203 3.885 1.00 0.00 C ATOM 721 O LEU A 44 -0.087 -2.141 3.371 1.00 0.00 O ATOM 722 CB LEU A 44 -0.835 0.406 5.241 1.00 0.00 C ATOM 723 CG LEU A 44 -1.833 0.452 6.403 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.114 0.521 7.743 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.779 1.632 6.240 1.00 0.00 C ATOM 0 H LEU A 44 1.445 0.672 6.204 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.259 -1.568 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.294 1.352 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.394 0.330 4.308 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.417 -0.468 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.848 0.553 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.482 -0.359 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.497 1.419 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.482 1.652 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.206 2.559 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.328 1.532 5.304 1.00 0.00 H new ATOM 737 N VAL A 45 1.496 -0.549 3.270 1.00 0.00 N ATOM 738 CA VAL A 45 1.966 -0.949 1.950 1.00 0.00 C ATOM 739 C VAL A 45 2.613 -2.330 2.020 1.00 0.00 C ATOM 740 O VAL A 45 2.351 -3.202 1.188 1.00 0.00 O ATOM 741 CB VAL A 45 2.976 0.065 1.378 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.402 -0.336 -0.026 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.385 1.466 1.385 1.00 0.00 C ATOM 0 H VAL A 45 1.977 0.260 3.663 1.00 0.00 H new ATOM 0 HA VAL A 45 1.102 -0.981 1.287 1.00 0.00 H new ATOM 0 HB VAL A 45 3.862 0.065 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.115 0.393 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.869 -1.321 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.528 -0.368 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.111 2.169 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.482 1.483 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.137 1.751 2.407 1.00 0.00 H new ATOM 753 N GLU A 46 3.452 -2.519 3.031 1.00 0.00 N ATOM 754 CA GLU A 46 4.109 -3.796 3.264 1.00 0.00 C ATOM 755 C GLU A 46 3.072 -4.872 3.563 1.00 0.00 C ATOM 756 O GLU A 46 3.147 -5.979 3.035 1.00 0.00 O ATOM 757 CB GLU A 46 5.089 -3.679 4.433 1.00 0.00 C ATOM 758 CG GLU A 46 5.983 -4.895 4.610 1.00 0.00 C ATOM 759 CD GLU A 46 7.420 -4.619 4.224 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.717 -4.523 3.016 1.00 0.00 O ATOM 761 OE2 GLU A 46 8.269 -4.483 5.132 1.00 0.00 O ATOM 0 H GLU A 46 3.694 -1.795 3.708 1.00 0.00 H new ATOM 0 HA GLU A 46 4.661 -4.075 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.714 -2.799 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.526 -3.517 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.946 -5.221 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.599 -5.716 4.004 1.00 0.00 H new ATOM 768 N GLN A 47 2.098 -4.521 4.395 1.00 0.00 N ATOM 769 CA GLN A 47 1.026 -5.432 4.780 1.00 0.00 C ATOM 770 C GLN A 47 0.333 -5.990 3.541 1.00 0.00 C ATOM 771 O GLN A 47 0.160 -7.202 3.408 1.00 0.00 O ATOM 772 CB GLN A 47 0.023 -4.699 5.687 1.00 0.00 C ATOM 773 CG GLN A 47 -0.971 -5.607 6.401 1.00 0.00 C ATOM 774 CD GLN A 47 -2.103 -6.087 5.509 1.00 0.00 C ATOM 775 OE1 GLN A 47 -2.542 -5.381 4.607 1.00 0.00 O ATOM 776 NE2 GLN A 47 -2.568 -7.299 5.751 1.00 0.00 N ATOM 0 H GLN A 47 2.029 -3.597 4.822 1.00 0.00 H new ATOM 0 HA GLN A 47 1.449 -6.270 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.577 -4.131 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.531 -3.978 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.440 -6.472 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.392 -5.073 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.175 -7.854 6.511 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.320 -7.681 5.178 1.00 0.00 H new ATOM 785 N ALA A 48 -0.040 -5.101 2.626 1.00 0.00 N ATOM 786 CA ALA A 48 -0.683 -5.510 1.387 1.00 0.00 C ATOM 787 C ALA A 48 0.243 -6.406 0.567 1.00 0.00 C ATOM 788 O ALA A 48 -0.200 -7.356 -0.077 1.00 0.00 O ATOM 789 CB ALA A 48 -1.099 -4.292 0.577 1.00 0.00 C ATOM 0 H ALA A 48 0.093 -4.094 2.721 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.577 -6.081 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.578 -4.616 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.799 -3.691 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.218 -3.695 0.339 1.00 0.00 H new ATOM 795 N ARG A 49 1.539 -6.116 0.618 1.00 0.00 N ATOM 796 CA ARG A 49 2.522 -6.899 -0.112 1.00 0.00 C ATOM 797 C ARG A 49 2.651 -8.285 0.510 1.00 0.00 C ATOM 798 O ARG A 49 2.818 -9.283 -0.197 1.00 0.00 O ATOM 799 CB ARG A 49 3.877 -6.177 -0.127 1.00 0.00 C ATOM 800 CG ARG A 49 4.990 -6.961 -0.806 1.00 0.00 C ATOM 801 CD ARG A 49 4.618 -7.354 -2.226 1.00 0.00 C ATOM 802 NE ARG A 49 5.692 -8.091 -2.889 1.00 0.00 N ATOM 803 CZ ARG A 49 5.632 -9.389 -3.194 1.00 0.00 C ATOM 804 NH1 ARG A 49 4.593 -10.122 -2.814 1.00 0.00 N ATOM 805 NH2 ARG A 49 6.628 -9.956 -3.860 1.00 0.00 N ATOM 0 H ARG A 49 1.930 -5.344 1.158 1.00 0.00 H new ATOM 0 HA ARG A 49 2.189 -7.013 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.761 -5.219 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.173 -5.961 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.900 -6.361 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.209 -7.858 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.716 -7.965 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.385 -6.458 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 49 6.541 -7.581 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.833 -9.694 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.554 -11.113 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.437 -9.401 -4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.585 -10.948 -4.095 1.00 0.00 H new ATOM 819 N LEU A 50 2.550 -8.342 1.834 1.00 0.00 N ATOM 820 CA LEU A 50 2.586 -9.606 2.553 1.00 0.00 C ATOM 821 C LEU A 50 1.362 -10.442 2.222 1.00 0.00 C ATOM 822 O LEU A 50 1.438 -11.668 2.176 1.00 0.00 O ATOM 823 CB LEU A 50 2.696 -9.378 4.062 1.00 0.00 C ATOM 824 CG LEU A 50 4.076 -9.669 4.651 1.00 0.00 C ATOM 825 CD1 LEU A 50 4.418 -11.137 4.456 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.133 -8.785 4.003 1.00 0.00 C ATOM 0 H LEU A 50 2.442 -7.522 2.431 1.00 0.00 H new ATOM 0 HA LEU A 50 3.473 -10.153 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.434 -8.343 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.961 -10.006 4.566 1.00 0.00 H new ATOM 0 HG LEU A 50 4.058 -9.448 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.403 -11.340 4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.674 -11.754 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.424 -11.371 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.108 -9.007 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.160 -8.977 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.888 -7.737 4.178 1.00 0.00 H new ATOM 838 N GLU A 51 0.240 -9.780 1.975 1.00 0.00 N ATOM 839 CA GLU A 51 -0.941 -10.462 1.465 1.00 0.00 C ATOM 840 C GLU A 51 -0.595 -11.194 0.178 1.00 0.00 C ATOM 841 O GLU A 51 -0.889 -12.375 0.020 1.00 0.00 O ATOM 842 CB GLU A 51 -2.073 -9.469 1.212 1.00 0.00 C ATOM 843 CG GLU A 51 -2.776 -9.013 2.477 1.00 0.00 C ATOM 844 CD GLU A 51 -3.518 -10.144 3.155 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.529 -10.612 2.593 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.103 -10.569 4.252 1.00 0.00 O ATOM 0 H GLU A 51 0.123 -8.777 2.119 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.277 -11.181 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.671 -8.597 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.804 -9.926 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.044 -8.595 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.477 -8.214 2.234 1.00 0.00 H new ATOM 853 N PHE A 52 0.085 -10.499 -0.720 1.00 0.00 N ATOM 854 CA PHE A 52 0.464 -11.075 -2.004 1.00 0.00 C ATOM 855 C PHE A 52 1.704 -11.954 -1.863 1.00 0.00 C ATOM 856 O PHE A 52 2.166 -12.548 -2.834 1.00 0.00 O ATOM 857 CB PHE A 52 0.722 -9.974 -3.028 1.00 0.00 C ATOM 858 CG PHE A 52 -0.468 -9.098 -3.281 1.00 0.00 C ATOM 859 CD1 PHE A 52 -1.650 -9.633 -3.771 1.00 0.00 C ATOM 860 CD2 PHE A 52 -0.405 -7.739 -3.031 1.00 0.00 C ATOM 861 CE1 PHE A 52 -2.745 -8.827 -4.003 1.00 0.00 C ATOM 862 CE2 PHE A 52 -1.499 -6.928 -3.264 1.00 0.00 C ATOM 863 CZ PHE A 52 -2.670 -7.473 -3.749 1.00 0.00 C ATOM 0 H PHE A 52 0.387 -9.534 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.363 -11.695 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.551 -9.356 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.034 -10.429 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.714 -10.692 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.509 -7.307 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.661 -9.256 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.438 -5.868 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.527 -6.841 -3.930 1.00 0.00 H new