USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 TYR OH : rot 180:sc= -0.0795 USER MOD Set 1.2: A 26 THR OG1 : rot -41:sc= 0.0835 USER MOD Single : A 1 LYS N :NH3+ 173:sc= 0 (180deg=-0.0624) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-5.9!) USER MOD Single : A 9 ASN : amide:sc=-0.00177 X(o=-0.0018,f=-0.076) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.7) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.790 -1.539 0.626 1.00 42.21 N ATOM 2 CA LYS A 1 1.625 -1.246 -0.533 1.00 4.12 C ATOM 3 C LYS A 1 2.680 -2.330 -0.732 1.00 33.24 C ATOM 4 O LYS A 1 3.842 -2.035 -1.010 1.00 23.43 O ATOM 5 CB LYS A 1 2.304 0.116 -0.367 1.00 31.20 C ATOM 6 CG LYS A 1 1.370 1.292 -0.594 1.00 3.23 C ATOM 7 CD LYS A 1 2.040 2.387 -1.406 1.00 44.44 C ATOM 8 CE LYS A 1 1.142 3.606 -1.547 1.00 55.23 C ATOM 9 NZ LYS A 1 0.013 3.357 -2.486 1.00 52.32 N ATOM 0 H1 LYS A 1 0.159 -0.733 0.812 1.00 42.21 H new ATOM 0 H2 LYS A 1 0.220 -2.388 0.438 1.00 42.21 H new ATOM 0 H3 LYS A 1 1.394 -1.705 1.456 1.00 42.21 H new ATOM 0 HA LYS A 1 0.984 -1.221 -1.414 1.00 4.12 H new ATOM 0 HB2 LYS A 1 2.723 0.184 0.637 1.00 31.20 H new ATOM 0 HB3 LYS A 1 3.138 0.185 -1.066 1.00 31.20 H new ATOM 0 HG2 LYS A 1 0.473 0.951 -1.111 1.00 3.23 H new ATOM 0 HG3 LYS A 1 1.050 1.694 0.367 1.00 3.23 H new ATOM 0 HD2 LYS A 1 2.975 2.676 -0.926 1.00 44.44 H new ATOM 0 HD3 LYS A 1 2.294 2.005 -2.395 1.00 44.44 H new ATOM 0 HE2 LYS A 1 0.747 3.881 -0.569 1.00 55.23 H new ATOM 0 HE3 LYS A 1 1.731 4.452 -1.903 1.00 55.23 H new ATOM 0 HZ1 LYS A 1 -0.576 4.211 -2.555 1.00 52.32 H new ATOM 0 HZ2 LYS A 1 0.389 3.119 -3.426 1.00 52.32 H new ATOM 0 HZ3 LYS A 1 -0.564 2.567 -2.134 1.00 52.32 H new ATOM 23 N TYR A 2 2.266 -3.584 -0.589 1.00 31.32 N ATOM 24 CA TYR A 2 3.175 -4.712 -0.752 1.00 22.31 C ATOM 25 C TYR A 2 2.762 -5.579 -1.938 1.00 15.53 C ATOM 26 O TYR A 2 3.583 -6.286 -2.519 1.00 61.41 O ATOM 27 CB TYR A 2 3.208 -5.556 0.523 1.00 24.24 C ATOM 28 CG TYR A 2 4.422 -6.453 0.625 1.00 54.12 C ATOM 29 CD1 TYR A 2 5.447 -6.168 1.518 1.00 22.41 C ATOM 30 CD2 TYR A 2 4.543 -7.584 -0.173 1.00 52.10 C ATOM 31 CE1 TYR A 2 6.558 -6.984 1.614 1.00 70.32 C ATOM 32 CE2 TYR A 2 5.649 -8.406 -0.083 1.00 61.21 C ATOM 33 CZ TYR A 2 6.654 -8.102 0.812 1.00 60.25 C ATOM 34 OH TYR A 2 7.758 -8.918 0.903 1.00 23.11 O ATOM 0 H TYR A 2 1.307 -3.845 -0.361 1.00 31.32 H new ATOM 0 HA TYR A 2 4.172 -4.316 -0.944 1.00 22.31 H new ATOM 0 HB2 TYR A 2 3.183 -4.893 1.388 1.00 24.24 H new ATOM 0 HB3 TYR A 2 2.308 -6.170 0.566 1.00 24.24 H new ATOM 0 HD1 TYR A 2 5.374 -5.294 2.148 1.00 22.41 H new ATOM 0 HD2 TYR A 2 3.759 -7.824 -0.876 1.00 52.10 H new ATOM 0 HE1 TYR A 2 7.347 -6.748 2.313 1.00 70.32 H new ATOM 0 HE2 TYR A 2 5.727 -9.282 -0.710 1.00 61.21 H new ATOM 0 HH TYR A 2 7.668 -9.661 0.271 1.00 23.11 H new ATOM 44 N GLU A 3 1.481 -5.515 -2.290 1.00 63.42 N ATOM 45 CA GLU A 3 0.958 -6.294 -3.406 1.00 53.14 C ATOM 46 C GLU A 3 1.922 -6.266 -4.589 1.00 53.51 C ATOM 47 O GLU A 3 2.687 -7.206 -4.802 1.00 21.31 O ATOM 48 CB GLU A 3 -0.409 -5.756 -3.835 1.00 71.25 C ATOM 49 CG GLU A 3 -1.524 -6.075 -2.854 1.00 10.14 C ATOM 50 CD GLU A 3 -2.877 -5.577 -3.325 1.00 45.11 C ATOM 51 OE1 GLU A 3 -3.106 -5.559 -4.553 1.00 14.14 O ATOM 52 OE2 GLU A 3 -3.704 -5.205 -2.468 1.00 35.35 O ATOM 0 H GLU A 3 0.788 -4.933 -1.819 1.00 63.42 H new ATOM 0 HA GLU A 3 0.847 -7.327 -3.075 1.00 53.14 H new ATOM 0 HB2 GLU A 3 -0.342 -4.675 -3.957 1.00 71.25 H new ATOM 0 HB3 GLU A 3 -0.664 -6.172 -4.810 1.00 71.25 H new ATOM 0 HG2 GLU A 3 -1.571 -7.153 -2.702 1.00 10.14 H new ATOM 0 HG3 GLU A 3 -1.292 -5.626 -1.888 1.00 10.14 H new ATOM 59 N ILE A 4 1.877 -5.181 -5.355 1.00 5.42 N ATOM 60 CA ILE A 4 2.747 -5.029 -6.515 1.00 74.21 C ATOM 61 C ILE A 4 3.386 -3.645 -6.546 1.00 71.13 C ATOM 62 O ILE A 4 4.511 -3.479 -7.018 1.00 3.42 O ATOM 63 CB ILE A 4 1.976 -5.256 -7.829 1.00 60.11 C ATOM 64 CG1 ILE A 4 2.947 -5.331 -9.009 1.00 43.10 C ATOM 65 CG2 ILE A 4 0.957 -4.147 -8.044 1.00 43.21 C ATOM 66 CD1 ILE A 4 2.273 -5.196 -10.356 1.00 50.53 C ATOM 0 H ILE A 4 1.248 -4.395 -5.193 1.00 5.42 H new ATOM 0 HA ILE A 4 3.528 -5.784 -6.425 1.00 74.21 H new ATOM 0 HB ILE A 4 1.443 -6.204 -7.761 1.00 60.11 H new ATOM 0 HG12 ILE A 4 3.694 -4.544 -8.905 1.00 43.10 H new ATOM 0 HG13 ILE A 4 3.479 -6.282 -8.972 1.00 43.10 H new ATOM 0 HG21 ILE A 4 0.420 -4.322 -8.977 1.00 43.21 H new ATOM 0 HG22 ILE A 4 0.250 -4.137 -7.215 1.00 43.21 H new ATOM 0 HG23 ILE A 4 1.470 -3.187 -8.095 1.00 43.21 H new ATOM 0 HD11 ILE A 4 3.022 -5.258 -11.145 1.00 50.53 H new ATOM 0 HD12 ILE A 4 1.546 -5.998 -10.481 1.00 50.53 H new ATOM 0 HD13 ILE A 4 1.765 -4.234 -10.414 1.00 50.53 H new ATOM 78 N THR A 5 2.661 -2.653 -6.039 1.00 0.21 N ATOM 79 CA THR A 5 3.157 -1.283 -6.008 1.00 12.34 C ATOM 80 C THR A 5 4.623 -1.238 -5.592 1.00 52.22 C ATOM 81 O THR A 5 5.387 -0.394 -6.061 1.00 51.45 O ATOM 82 CB THR A 5 2.334 -0.410 -5.041 1.00 42.53 C ATOM 83 OG1 THR A 5 2.636 0.974 -5.254 1.00 11.02 O ATOM 84 CG2 THR A 5 2.625 -0.781 -3.595 1.00 45.01 C ATOM 0 H THR A 5 1.728 -2.773 -5.644 1.00 0.21 H new ATOM 0 HA THR A 5 3.057 -0.887 -7.019 1.00 12.34 H new ATOM 0 HB THR A 5 1.276 -0.586 -5.238 1.00 42.53 H new ATOM 0 HG1 THR A 5 2.108 1.523 -4.637 1.00 11.02 H new ATOM 0 HG21 THR A 5 2.032 -0.151 -2.931 1.00 45.01 H new ATOM 0 HG22 THR A 5 2.367 -1.827 -3.429 1.00 45.01 H new ATOM 0 HG23 THR A 5 3.684 -0.631 -3.387 1.00 45.01 H new ATOM 92 N THR A 6 5.011 -2.152 -4.709 1.00 23.41 N ATOM 93 CA THR A 6 6.386 -2.217 -4.230 1.00 2.22 C ATOM 94 C THR A 6 7.014 -3.571 -4.540 1.00 53.02 C ATOM 95 O THR A 6 8.236 -3.695 -4.622 1.00 1.13 O ATOM 96 CB THR A 6 6.465 -1.963 -2.713 1.00 11.14 C ATOM 97 OG1 THR A 6 7.708 -1.332 -2.385 1.00 70.03 O ATOM 98 CG2 THR A 6 6.332 -3.266 -1.938 1.00 42.43 C ATOM 0 H THR A 6 4.392 -2.858 -4.311 1.00 23.41 H new ATOM 0 HA THR A 6 6.939 -1.436 -4.752 1.00 2.22 H new ATOM 0 HB THR A 6 5.641 -1.307 -2.434 1.00 11.14 H new ATOM 0 HG1 THR A 6 7.749 -1.173 -1.419 1.00 70.03 H new ATOM 0 HG21 THR A 6 6.391 -3.061 -0.869 1.00 42.43 H new ATOM 0 HG22 THR A 6 5.372 -3.729 -2.166 1.00 42.43 H new ATOM 0 HG23 THR A 6 7.138 -3.943 -2.223 1.00 42.43 H new ATOM 106 N ILE A 7 6.170 -4.583 -4.713 1.00 2.01 N ATOM 107 CA ILE A 7 6.643 -5.928 -5.016 1.00 44.23 C ATOM 108 C ILE A 7 7.608 -5.918 -6.197 1.00 5.31 C ATOM 109 O ILE A 7 8.620 -6.621 -6.192 1.00 53.52 O ATOM 110 CB ILE A 7 5.474 -6.878 -5.332 1.00 75.42 C ATOM 111 CG1 ILE A 7 5.651 -8.205 -4.591 1.00 2.02 C ATOM 112 CG2 ILE A 7 5.372 -7.113 -6.832 1.00 12.01 C ATOM 113 CD1 ILE A 7 5.782 -8.047 -3.092 1.00 53.11 C ATOM 0 H ILE A 7 5.156 -4.497 -4.649 1.00 2.01 H new ATOM 0 HA ILE A 7 7.162 -6.287 -4.128 1.00 44.23 H new ATOM 0 HB ILE A 7 4.548 -6.414 -4.993 1.00 75.42 H new ATOM 0 HG12 ILE A 7 4.799 -8.849 -4.807 1.00 2.02 H new ATOM 0 HG13 ILE A 7 6.538 -8.710 -4.974 1.00 2.02 H new ATOM 0 HG21 ILE A 7 4.541 -7.787 -7.039 1.00 12.01 H new ATOM 0 HG22 ILE A 7 5.204 -6.163 -7.339 1.00 12.01 H new ATOM 0 HG23 ILE A 7 6.299 -7.558 -7.194 1.00 12.01 H new ATOM 0 HD11 ILE A 7 5.904 -9.028 -2.632 1.00 53.11 H new ATOM 0 HD12 ILE A 7 6.651 -7.429 -2.866 1.00 53.11 H new ATOM 0 HD13 ILE A 7 4.885 -7.570 -2.697 1.00 53.11 H new ATOM 125 N HIS A 8 7.290 -5.115 -7.207 1.00 44.24 N ATOM 126 CA HIS A 8 8.131 -5.011 -8.395 1.00 11.30 C ATOM 127 C HIS A 8 9.580 -4.724 -8.012 1.00 33.12 C ATOM 128 O HIS A 8 10.504 -5.048 -8.756 1.00 21.11 O ATOM 129 CB HIS A 8 7.609 -3.911 -9.320 1.00 72.34 C ATOM 130 CG HIS A 8 7.801 -2.529 -8.776 1.00 75.21 C ATOM 131 ND1 HIS A 8 7.777 -2.241 -7.428 1.00 31.32 N ATOM 132 CD2 HIS A 8 8.022 -1.352 -9.407 1.00 31.22 C ATOM 133 CE1 HIS A 8 7.974 -0.947 -7.253 1.00 14.23 C ATOM 134 NE2 HIS A 8 8.126 -0.384 -8.438 1.00 74.41 N ATOM 0 H HIS A 8 6.457 -4.527 -7.227 1.00 44.24 H new ATOM 0 HA HIS A 8 8.095 -5.965 -8.920 1.00 11.30 H new ATOM 0 HB2 HIS A 8 8.115 -3.987 -10.283 1.00 72.34 H new ATOM 0 HB3 HIS A 8 6.547 -4.076 -9.504 1.00 72.34 H new ATOM 0 HD2 HIS A 8 8.102 -1.202 -10.474 1.00 31.22 H new ATOM 0 HE1 HIS A 8 8.005 -0.436 -6.302 1.00 14.23 H new ATOM 0 HE2 HIS A 8 8.293 0.608 -8.606 1.00 74.41 H new ATOM 142 N ASN A 9 9.769 -4.114 -6.846 1.00 52.24 N ATOM 143 CA ASN A 9 11.105 -3.782 -6.365 1.00 61.32 C ATOM 144 C ASN A 9 11.755 -4.987 -5.692 1.00 22.03 C ATOM 145 O ASN A 9 12.971 -5.171 -5.764 1.00 20.35 O ATOM 146 CB ASN A 9 11.040 -2.609 -5.385 1.00 64.21 C ATOM 147 CG ASN A 9 12.349 -1.846 -5.310 1.00 14.21 C ATOM 148 OD1 ASN A 9 13.421 -2.407 -5.533 1.00 43.14 O ATOM 149 ND2 ASN A 9 12.265 -0.559 -4.994 1.00 10.23 N ATOM 0 H ASN A 9 9.014 -3.840 -6.217 1.00 52.24 H new ATOM 0 HA ASN A 9 11.713 -3.496 -7.223 1.00 61.32 H new ATOM 0 HB2 ASN A 9 10.243 -1.930 -5.688 1.00 64.21 H new ATOM 0 HB3 ASN A 9 10.782 -2.981 -4.394 1.00 64.21 H new ATOM 0 HD21 ASN A 9 13.111 0.006 -4.928 1.00 10.23 H new ATOM 0 HD22 ASN A 9 11.354 -0.136 -4.817 1.00 10.23 H new ATOM 156 N LEU A 10 10.938 -5.805 -5.038 1.00 14.20 N ATOM 157 CA LEU A 10 11.432 -6.993 -4.352 1.00 21.34 C ATOM 158 C LEU A 10 11.492 -8.185 -5.301 1.00 65.25 C ATOM 159 O LEU A 10 12.215 -9.152 -5.057 1.00 0.44 O ATOM 160 CB LEU A 10 10.538 -7.325 -3.155 1.00 51.45 C ATOM 161 CG LEU A 10 10.335 -8.811 -2.860 1.00 62.25 C ATOM 162 CD1 LEU A 10 10.079 -9.031 -1.378 1.00 22.14 C ATOM 163 CD2 LEU A 10 9.187 -9.368 -3.690 1.00 2.20 C ATOM 0 H LEU A 10 9.930 -5.667 -4.968 1.00 14.20 H new ATOM 0 HA LEU A 10 12.441 -6.783 -3.997 1.00 21.34 H new ATOM 0 HB2 LEU A 10 10.963 -6.854 -2.268 1.00 51.45 H new ATOM 0 HB3 LEU A 10 9.561 -6.871 -3.320 1.00 51.45 H new ATOM 0 HG LEU A 10 11.246 -9.343 -3.133 1.00 62.25 H new ATOM 0 HD11 LEU A 10 9.937 -10.095 -1.187 1.00 22.14 H new ATOM 0 HD12 LEU A 10 10.932 -8.670 -0.804 1.00 22.14 H new ATOM 0 HD13 LEU A 10 9.184 -8.486 -1.079 1.00 22.14 H new ATOM 0 HD21 LEU A 10 9.057 -10.427 -3.467 1.00 2.20 H new ATOM 0 HD22 LEU A 10 8.270 -8.831 -3.449 1.00 2.20 H new ATOM 0 HD23 LEU A 10 9.411 -9.245 -4.750 1.00 2.20 H new ATOM 175 N PHE A 11 10.730 -8.109 -6.387 1.00 44.14 N ATOM 176 CA PHE A 11 10.698 -9.181 -7.376 1.00 10.05 C ATOM 177 C PHE A 11 12.108 -9.666 -7.698 1.00 23.53 C ATOM 178 O PHE A 11 12.874 -8.979 -8.374 1.00 13.24 O ATOM 179 CB PHE A 11 10.006 -8.704 -8.654 1.00 61.02 C ATOM 180 CG PHE A 11 8.527 -8.967 -8.670 1.00 24.25 C ATOM 181 CD1 PHE A 11 7.961 -9.868 -7.781 1.00 43.55 C ATOM 182 CD2 PHE A 11 7.704 -8.315 -9.572 1.00 54.44 C ATOM 183 CE1 PHE A 11 6.601 -10.112 -7.793 1.00 11.24 C ATOM 184 CE2 PHE A 11 6.343 -8.554 -9.588 1.00 74.40 C ATOM 185 CZ PHE A 11 5.791 -9.455 -8.698 1.00 13.01 C ATOM 0 H PHE A 11 10.126 -7.316 -6.605 1.00 44.14 H new ATOM 0 HA PHE A 11 10.134 -10.013 -6.955 1.00 10.05 H new ATOM 0 HB2 PHE A 11 10.178 -7.634 -8.773 1.00 61.02 H new ATOM 0 HB3 PHE A 11 10.464 -9.198 -9.511 1.00 61.02 H new ATOM 0 HD1 PHE A 11 8.590 -10.385 -7.071 1.00 43.55 H new ATOM 0 HD2 PHE A 11 8.131 -7.611 -10.271 1.00 54.44 H new ATOM 0 HE1 PHE A 11 6.172 -10.816 -7.095 1.00 11.24 H new ATOM 0 HE2 PHE A 11 5.712 -8.037 -10.295 1.00 74.40 H new ATOM 0 HZ PHE A 11 4.728 -9.645 -8.710 1.00 13.01 H new ATOM 195 N ARG A 12 12.444 -10.856 -7.208 1.00 44.54 N ATOM 196 CA ARG A 12 13.763 -11.433 -7.442 1.00 54.11 C ATOM 197 C ARG A 12 13.973 -11.726 -8.925 1.00 12.51 C ATOM 198 O ARG A 12 14.980 -11.328 -9.511 1.00 23.33 O ATOM 199 CB ARG A 12 13.932 -12.718 -6.629 1.00 14.41 C ATOM 200 CG ARG A 12 14.384 -13.908 -7.458 1.00 74.42 C ATOM 201 CD ARG A 12 14.708 -15.107 -6.581 1.00 22.32 C ATOM 202 NE ARG A 12 16.097 -15.094 -6.128 1.00 35.21 N ATOM 203 CZ ARG A 12 17.125 -15.421 -6.902 1.00 62.40 C ATOM 204 NH1 ARG A 12 16.923 -15.785 -8.161 1.00 15.21 N ATOM 205 NH2 ARG A 12 18.360 -15.385 -6.417 1.00 51.14 N ATOM 0 H ARG A 12 11.822 -11.438 -6.647 1.00 44.54 H new ATOM 0 HA ARG A 12 14.511 -10.707 -7.123 1.00 54.11 H new ATOM 0 HB2 ARG A 12 14.658 -12.543 -5.835 1.00 14.41 H new ATOM 0 HB3 ARG A 12 12.985 -12.960 -6.147 1.00 14.41 H new ATOM 0 HG2 ARG A 12 13.602 -14.176 -8.168 1.00 74.42 H new ATOM 0 HG3 ARG A 12 15.263 -13.634 -8.041 1.00 74.42 H new ATOM 0 HD2 ARG A 12 14.045 -15.113 -5.716 1.00 22.32 H new ATOM 0 HD3 ARG A 12 14.516 -16.025 -7.137 1.00 22.32 H new ATOM 0 HE ARG A 12 16.287 -14.819 -5.164 1.00 35.21 H new ATOM 0 HH11 ARG A 12 15.976 -15.814 -8.538 1.00 15.21 H new ATOM 0 HH12 ARG A 12 17.715 -16.036 -8.753 1.00 15.21 H new ATOM 0 HH21 ARG A 12 18.520 -15.106 -5.449 1.00 51.14 H new ATOM 0 HH22 ARG A 12 19.149 -15.636 -7.012 1.00 51.14 H new ATOM 219 N LYS A 13 13.015 -12.423 -9.526 1.00 65.44 N ATOM 220 CA LYS A 13 13.094 -12.769 -10.941 1.00 32.54 C ATOM 221 C LYS A 13 12.381 -11.727 -11.796 1.00 73.22 C ATOM 222 O LYS A 13 12.955 -10.693 -12.139 1.00 54.31 O ATOM 223 CB LYS A 13 12.481 -14.150 -11.184 1.00 34.44 C ATOM 224 CG LYS A 13 12.414 -14.537 -12.651 1.00 53.51 C ATOM 225 CD LYS A 13 12.966 -15.933 -12.886 1.00 53.41 C ATOM 226 CE LYS A 13 13.587 -16.061 -14.269 1.00 11.15 C ATOM 227 NZ LYS A 13 14.980 -15.535 -14.302 1.00 33.23 N ATOM 0 H LYS A 13 12.175 -12.760 -9.056 1.00 65.44 H new ATOM 0 HA LYS A 13 14.146 -12.790 -11.227 1.00 32.54 H new ATOM 0 HB2 LYS A 13 13.065 -14.897 -10.646 1.00 34.44 H new ATOM 0 HB3 LYS A 13 11.475 -14.170 -10.765 1.00 34.44 H new ATOM 0 HG2 LYS A 13 11.380 -14.491 -12.993 1.00 53.51 H new ATOM 0 HG3 LYS A 13 12.978 -13.817 -13.244 1.00 53.51 H new ATOM 0 HD2 LYS A 13 13.714 -16.162 -12.127 1.00 53.41 H new ATOM 0 HD3 LYS A 13 12.166 -16.665 -12.776 1.00 53.41 H new ATOM 0 HE2 LYS A 13 13.587 -17.108 -14.572 1.00 11.15 H new ATOM 0 HE3 LYS A 13 12.977 -15.520 -14.993 1.00 11.15 H new ATOM 0 HZ1 LYS A 13 15.368 -15.640 -15.261 1.00 33.23 H new ATOM 0 HZ2 LYS A 13 14.978 -14.529 -14.038 1.00 33.23 H new ATOM 0 HZ3 LYS A 13 15.568 -16.068 -13.630 1.00 33.23 H new ATOM 241 N LEU A 14 11.127 -12.005 -12.136 1.00 62.35 N ATOM 242 CA LEU A 14 10.335 -11.091 -12.951 1.00 14.40 C ATOM 243 C LEU A 14 9.068 -10.665 -12.216 1.00 34.32 C ATOM 244 O LEU A 14 9.043 -9.634 -11.543 1.00 21.44 O ATOM 245 CB LEU A 14 9.969 -11.748 -14.283 1.00 31.54 C ATOM 246 CG LEU A 14 8.860 -11.068 -15.085 1.00 52.44 C ATOM 247 CD1 LEU A 14 9.413 -10.495 -16.381 1.00 3.21 C ATOM 248 CD2 LEU A 14 7.731 -12.047 -15.372 1.00 40.05 C ATOM 0 H LEU A 14 10.637 -12.856 -11.860 1.00 62.35 H new ATOM 0 HA LEU A 14 10.937 -10.203 -13.145 1.00 14.40 H new ATOM 0 HB2 LEU A 14 10.865 -11.790 -14.903 1.00 31.54 H new ATOM 0 HB3 LEU A 14 9.669 -12.777 -14.087 1.00 31.54 H new ATOM 0 HG LEU A 14 8.459 -10.247 -14.490 1.00 52.44 H new ATOM 0 HD11 LEU A 14 8.609 -10.015 -16.939 1.00 3.21 H new ATOM 0 HD12 LEU A 14 10.186 -9.761 -16.154 1.00 3.21 H new ATOM 0 HD13 LEU A 14 9.841 -11.298 -16.981 1.00 3.21 H new ATOM 0 HD21 LEU A 14 6.951 -11.545 -15.944 1.00 40.05 H new ATOM 0 HD22 LEU A 14 8.117 -12.889 -15.946 1.00 40.05 H new ATOM 0 HD23 LEU A 14 7.316 -12.409 -14.432 1.00 40.05 H new ATOM 260 N THR A 15 8.016 -11.468 -12.347 1.00 54.44 N ATOM 261 CA THR A 15 6.745 -11.175 -11.695 1.00 64.53 C ATOM 262 C THR A 15 6.264 -12.364 -10.872 1.00 21.45 C ATOM 263 O THR A 15 6.230 -12.307 -9.642 1.00 31.52 O ATOM 264 CB THR A 15 5.659 -10.804 -12.722 1.00 42.51 C ATOM 265 OG1 THR A 15 5.863 -9.465 -13.188 1.00 1.23 O ATOM 266 CG2 THR A 15 4.272 -10.927 -12.111 1.00 74.50 C ATOM 0 H THR A 15 8.019 -12.326 -12.899 1.00 54.44 H new ATOM 0 HA THR A 15 6.916 -10.324 -11.035 1.00 64.53 H new ATOM 0 HB THR A 15 5.732 -11.496 -13.561 1.00 42.51 H new ATOM 0 HG1 THR A 15 5.169 -9.237 -13.842 1.00 1.23 H new ATOM 0 HG21 THR A 15 3.522 -10.660 -12.855 1.00 74.50 H new ATOM 0 HG22 THR A 15 4.109 -11.954 -11.783 1.00 74.50 H new ATOM 0 HG23 THR A 15 4.190 -10.256 -11.256 1.00 74.50 H new ATOM 274 N HIS A 16 5.893 -13.442 -11.556 1.00 42.33 N ATOM 275 CA HIS A 16 5.415 -14.646 -10.887 1.00 14.12 C ATOM 276 C HIS A 16 6.158 -15.879 -11.391 1.00 30.45 C ATOM 277 O HIS A 16 5.737 -17.011 -11.150 1.00 53.02 O ATOM 278 CB HIS A 16 3.912 -14.816 -11.109 1.00 55.45 C ATOM 279 CG HIS A 16 3.470 -14.476 -12.500 1.00 31.22 C ATOM 280 ND1 HIS A 16 4.204 -14.798 -13.622 1.00 54.11 N ATOM 281 CD2 HIS A 16 2.361 -13.841 -12.946 1.00 42.13 C ATOM 282 CE1 HIS A 16 3.566 -14.374 -14.699 1.00 2.34 C ATOM 283 NE2 HIS A 16 2.445 -13.790 -14.316 1.00 10.30 N ATOM 0 H HIS A 16 5.914 -13.506 -12.574 1.00 42.33 H new ATOM 0 HA HIS A 16 5.607 -14.539 -9.819 1.00 14.12 H new ATOM 0 HB2 HIS A 16 3.635 -15.847 -10.890 1.00 55.45 H new ATOM 0 HB3 HIS A 16 3.375 -14.185 -10.401 1.00 55.45 H new ATOM 0 HD2 HIS A 16 1.560 -13.448 -12.338 1.00 42.13 H new ATOM 0 HE1 HIS A 16 3.904 -14.486 -15.719 1.00 2.34 H new ATOM 0 HE2 HIS A 16 1.754 -13.369 -14.937 1.00 10.30 H new ATOM 291 N ARG A 17 7.265 -15.653 -12.091 1.00 14.44 N ATOM 292 CA ARG A 17 8.065 -16.745 -12.630 1.00 20.42 C ATOM 293 C ARG A 17 8.198 -17.875 -11.613 1.00 21.04 C ATOM 294 O ARG A 17 7.454 -18.855 -11.657 1.00 32.44 O ATOM 295 CB ARG A 17 9.452 -16.240 -13.031 1.00 60.12 C ATOM 296 CG ARG A 17 9.677 -16.208 -14.534 1.00 50.50 C ATOM 297 CD ARG A 17 8.545 -15.489 -15.251 1.00 40.33 C ATOM 298 NE ARG A 17 7.592 -16.423 -15.844 1.00 32.01 N ATOM 299 CZ ARG A 17 6.775 -16.105 -16.842 1.00 32.21 C ATOM 300 NH1 ARG A 17 6.795 -14.883 -17.356 1.00 62.42 N ATOM 301 NH2 ARG A 17 5.935 -17.011 -17.328 1.00 3.33 N ATOM 0 H ARG A 17 7.628 -14.723 -12.298 1.00 14.44 H new ATOM 0 HA ARG A 17 7.557 -17.132 -13.513 1.00 20.42 H new ATOM 0 HB2 ARG A 17 9.594 -15.237 -12.629 1.00 60.12 H new ATOM 0 HB3 ARG A 17 10.208 -16.877 -12.572 1.00 60.12 H new ATOM 0 HG2 ARG A 17 10.622 -15.709 -14.751 1.00 50.50 H new ATOM 0 HG3 ARG A 17 9.760 -17.227 -14.912 1.00 50.50 H new ATOM 0 HD2 ARG A 17 8.025 -14.839 -14.547 1.00 40.33 H new ATOM 0 HD3 ARG A 17 8.958 -14.849 -16.031 1.00 40.33 H new ATOM 0 HE ARG A 17 7.551 -17.372 -15.471 1.00 32.01 H new ATOM 0 HH11 ARG A 17 7.439 -14.184 -16.985 1.00 62.42 H new ATOM 0 HH12 ARG A 17 6.167 -14.642 -18.122 1.00 62.42 H new ATOM 0 HH21 ARG A 17 5.917 -17.952 -16.935 1.00 3.33 H new ATOM 0 HH22 ARG A 17 5.308 -16.766 -18.094 1.00 3.33 H new ATOM 315 N LEU A 18 9.151 -17.731 -10.698 1.00 72.31 N ATOM 316 CA LEU A 18 9.382 -18.740 -9.670 1.00 4.55 C ATOM 317 C LEU A 18 9.421 -18.104 -8.283 1.00 60.43 C ATOM 318 O LEU A 18 10.336 -18.357 -7.499 1.00 14.44 O ATOM 319 CB LEU A 18 10.693 -19.481 -9.940 1.00 51.21 C ATOM 320 CG LEU A 18 11.967 -18.638 -9.873 1.00 51.10 C ATOM 321 CD1 LEU A 18 12.889 -19.150 -8.778 1.00 30.54 C ATOM 322 CD2 LEU A 18 12.680 -18.641 -11.217 1.00 52.05 C ATOM 0 H LEU A 18 9.775 -16.926 -10.647 1.00 72.31 H new ATOM 0 HA LEU A 18 8.557 -19.451 -9.701 1.00 4.55 H new ATOM 0 HB2 LEU A 18 10.782 -20.295 -9.221 1.00 51.21 H new ATOM 0 HB3 LEU A 18 10.633 -19.935 -10.929 1.00 51.21 H new ATOM 0 HG LEU A 18 11.688 -17.612 -9.634 1.00 51.10 H new ATOM 0 HD11 LEU A 18 13.790 -18.538 -8.745 1.00 30.54 H new ATOM 0 HD12 LEU A 18 12.378 -19.095 -7.817 1.00 30.54 H new ATOM 0 HD13 LEU A 18 13.161 -20.185 -8.986 1.00 30.54 H new ATOM 0 HD21 LEU A 18 13.584 -18.036 -11.150 1.00 52.05 H new ATOM 0 HD22 LEU A 18 12.946 -19.663 -11.485 1.00 52.05 H new ATOM 0 HD23 LEU A 18 12.021 -18.226 -11.979 1.00 52.05 H new ATOM 334 N PHE A 19 8.421 -17.281 -7.987 1.00 50.24 N ATOM 335 CA PHE A 19 8.340 -16.610 -6.695 1.00 73.30 C ATOM 336 C PHE A 19 7.626 -17.488 -5.671 1.00 13.20 C ATOM 337 O PHE A 19 7.531 -17.136 -4.495 1.00 72.10 O ATOM 338 CB PHE A 19 7.609 -15.273 -6.835 1.00 60.33 C ATOM 339 CG PHE A 19 8.275 -14.323 -7.789 1.00 62.31 C ATOM 340 CD1 PHE A 19 9.085 -13.302 -7.318 1.00 72.24 C ATOM 341 CD2 PHE A 19 8.091 -14.451 -9.157 1.00 24.25 C ATOM 342 CE1 PHE A 19 9.700 -12.426 -8.193 1.00 73.54 C ATOM 343 CE2 PHE A 19 8.704 -13.579 -10.036 1.00 50.22 C ATOM 344 CZ PHE A 19 9.508 -12.565 -9.554 1.00 41.51 C ATOM 0 H PHE A 19 7.655 -17.063 -8.624 1.00 50.24 H new ATOM 0 HA PHE A 19 9.356 -16.425 -6.345 1.00 73.30 H new ATOM 0 HB2 PHE A 19 6.589 -15.459 -7.172 1.00 60.33 H new ATOM 0 HB3 PHE A 19 7.539 -14.802 -5.855 1.00 60.33 H new ATOM 0 HD1 PHE A 19 9.238 -13.189 -6.255 1.00 72.24 H new ATOM 0 HD2 PHE A 19 7.462 -15.241 -9.540 1.00 24.25 H new ATOM 0 HE1 PHE A 19 10.329 -11.635 -7.813 1.00 73.54 H new ATOM 0 HE2 PHE A 19 8.554 -13.690 -11.100 1.00 50.22 H new ATOM 0 HZ PHE A 19 9.986 -11.882 -10.240 1.00 41.51 H new ATOM 354 N ARG A 20 7.125 -18.631 -6.127 1.00 72.12 N ATOM 355 CA ARG A 20 6.418 -19.559 -5.252 1.00 52.43 C ATOM 356 C ARG A 20 7.007 -20.962 -5.358 1.00 61.10 C ATOM 357 O ARG A 20 6.353 -21.948 -5.018 1.00 11.03 O ATOM 358 CB ARG A 20 4.929 -19.591 -5.604 1.00 44.02 C ATOM 359 CG ARG A 20 4.652 -19.994 -7.043 1.00 44.34 C ATOM 360 CD ARG A 20 4.033 -21.380 -7.125 1.00 22.24 C ATOM 361 NE ARG A 20 2.589 -21.323 -7.335 1.00 62.25 N ATOM 362 CZ ARG A 20 2.028 -21.091 -8.517 1.00 34.33 C ATOM 363 NH1 ARG A 20 2.785 -20.896 -9.588 1.00 33.24 N ATOM 364 NH2 ARG A 20 0.706 -21.055 -8.629 1.00 11.24 N ATOM 0 H ARG A 20 7.195 -18.937 -7.097 1.00 72.12 H new ATOM 0 HA ARG A 20 6.534 -19.212 -4.225 1.00 52.43 H new ATOM 0 HB2 ARG A 20 4.421 -20.287 -4.936 1.00 44.02 H new ATOM 0 HB3 ARG A 20 4.500 -18.605 -5.423 1.00 44.02 H new ATOM 0 HG2 ARG A 20 3.982 -19.268 -7.503 1.00 44.34 H new ATOM 0 HG3 ARG A 20 5.581 -19.975 -7.612 1.00 44.34 H new ATOM 0 HD2 ARG A 20 4.496 -21.936 -7.940 1.00 22.24 H new ATOM 0 HD3 ARG A 20 4.244 -21.926 -6.206 1.00 22.24 H new ATOM 0 HE ARG A 20 1.978 -21.469 -6.531 1.00 62.25 H new ATOM 0 HH11 ARG A 20 3.801 -20.924 -9.506 1.00 33.24 H new ATOM 0 HH12 ARG A 20 2.351 -20.718 -10.494 1.00 33.24 H new ATOM 0 HH21 ARG A 20 0.120 -21.205 -7.808 1.00 11.24 H new ATOM 0 HH22 ARG A 20 0.276 -20.877 -9.536 1.00 11.24 H new ATOM 378 N ARG A 21 8.246 -21.044 -5.832 1.00 71.02 N ATOM 379 CA ARG A 21 8.922 -22.326 -5.984 1.00 65.45 C ATOM 380 C ARG A 21 9.822 -22.612 -4.786 1.00 24.03 C ATOM 381 O ARG A 21 9.827 -23.720 -4.251 1.00 45.10 O ATOM 382 CB ARG A 21 9.749 -22.341 -7.271 1.00 63.45 C ATOM 383 CG ARG A 21 8.951 -21.979 -8.513 1.00 15.33 C ATOM 384 CD ARG A 21 7.773 -22.920 -8.712 1.00 60.12 C ATOM 385 NE ARG A 21 8.206 -24.289 -8.979 1.00 32.21 N ATOM 386 CZ ARG A 21 7.367 -25.301 -9.171 1.00 52.12 C ATOM 387 NH1 ARG A 21 6.057 -25.098 -9.127 1.00 23.00 N ATOM 388 NH2 ARG A 21 7.837 -26.519 -9.409 1.00 3.42 N ATOM 0 H ARG A 21 8.802 -20.238 -6.117 1.00 71.02 H new ATOM 0 HA ARG A 21 8.161 -23.105 -6.039 1.00 65.45 H new ATOM 0 HB2 ARG A 21 10.580 -21.643 -7.167 1.00 63.45 H new ATOM 0 HB3 ARG A 21 10.181 -23.333 -7.404 1.00 63.45 H new ATOM 0 HG2 ARG A 21 8.589 -20.954 -8.429 1.00 15.33 H new ATOM 0 HG3 ARG A 21 9.600 -22.017 -9.388 1.00 15.33 H new ATOM 0 HD2 ARG A 21 7.143 -22.906 -7.822 1.00 60.12 H new ATOM 0 HD3 ARG A 21 7.161 -22.565 -9.541 1.00 60.12 H new ATOM 0 HE ARG A 21 9.207 -24.479 -9.020 1.00 32.21 H new ATOM 0 HH11 ARG A 21 5.692 -24.163 -8.945 1.00 23.00 H new ATOM 0 HH12 ARG A 21 5.415 -25.877 -9.275 1.00 23.00 H new ATOM 0 HH21 ARG A 21 8.844 -26.679 -9.445 1.00 3.42 H new ATOM 0 HH22 ARG A 21 7.192 -27.295 -9.556 1.00 3.42 H new ATOM 402 N ASN A 22 10.583 -21.604 -4.370 1.00 32.41 N ATOM 403 CA ASN A 22 11.488 -21.748 -3.235 1.00 52.52 C ATOM 404 C ASN A 22 11.162 -20.728 -2.148 1.00 5.11 C ATOM 405 O ASN A 22 11.495 -20.923 -0.979 1.00 22.42 O ATOM 406 CB ASN A 22 12.939 -21.580 -3.689 1.00 42.14 C ATOM 407 CG ASN A 22 13.696 -22.894 -3.705 1.00 74.20 C ATOM 408 OD1 ASN A 22 13.300 -23.843 -4.382 1.00 75.11 O ATOM 409 ND2 ASN A 22 14.791 -22.955 -2.956 1.00 73.34 N ATOM 0 H ASN A 22 10.591 -20.680 -4.801 1.00 32.41 H new ATOM 0 HA ASN A 22 11.357 -22.748 -2.822 1.00 52.52 H new ATOM 0 HB2 ASN A 22 12.956 -21.142 -4.687 1.00 42.14 H new ATOM 0 HB3 ASN A 22 13.446 -20.880 -3.025 1.00 42.14 H new ATOM 0 HD21 ASN A 22 15.341 -23.813 -2.926 1.00 73.34 H new ATOM 0 HD22 ASN A 22 15.082 -22.143 -2.411 1.00 73.34 H new ATOM 416 N PHE A 23 10.510 -19.639 -2.541 1.00 75.45 N ATOM 417 CA PHE A 23 10.139 -18.588 -1.601 1.00 60.31 C ATOM 418 C PHE A 23 8.630 -18.569 -1.374 1.00 3.21 C ATOM 419 O PHE A 23 7.851 -18.441 -2.317 1.00 51.12 O ATOM 420 CB PHE A 23 10.606 -17.226 -2.117 1.00 1.52 C ATOM 421 CG PHE A 23 11.360 -17.302 -3.414 1.00 13.52 C ATOM 422 CD1 PHE A 23 11.007 -16.495 -4.484 1.00 33.13 C ATOM 423 CD2 PHE A 23 12.421 -18.180 -3.563 1.00 52.12 C ATOM 424 CE1 PHE A 23 11.698 -16.562 -5.679 1.00 23.34 C ATOM 425 CE2 PHE A 23 13.116 -18.251 -4.755 1.00 64.14 C ATOM 426 CZ PHE A 23 12.754 -17.442 -5.815 1.00 31.33 C ATOM 0 H PHE A 23 10.227 -19.461 -3.505 1.00 75.45 H new ATOM 0 HA PHE A 23 10.629 -18.796 -0.650 1.00 60.31 H new ATOM 0 HB2 PHE A 23 9.738 -16.579 -2.248 1.00 1.52 H new ATOM 0 HB3 PHE A 23 11.241 -16.759 -1.364 1.00 1.52 H new ATOM 0 HD1 PHE A 23 10.182 -15.805 -4.383 1.00 33.13 H new ATOM 0 HD2 PHE A 23 12.708 -18.816 -2.739 1.00 52.12 H new ATOM 0 HE1 PHE A 23 11.413 -15.927 -6.505 1.00 23.34 H new ATOM 0 HE2 PHE A 23 13.942 -18.939 -4.858 1.00 64.14 H new ATOM 0 HZ PHE A 23 13.295 -17.498 -6.748 1.00 31.33 H new ATOM 436 N GLY A 24 8.226 -18.698 -0.114 1.00 13.52 N ATOM 437 CA GLY A 24 6.812 -18.693 0.216 1.00 64.13 C ATOM 438 C GLY A 24 6.057 -17.582 -0.486 1.00 11.11 C ATOM 439 O GLY A 24 5.911 -16.485 0.053 1.00 12.41 O ATOM 0 H GLY A 24 8.852 -18.806 0.684 1.00 13.52 H new ATOM 0 HA2 GLY A 24 6.375 -19.654 -0.057 1.00 64.13 H new ATOM 0 HA3 GLY A 24 6.694 -18.584 1.294 1.00 64.13 H new ATOM 443 N TYR A 25 5.577 -17.865 -1.692 1.00 1.12 N ATOM 444 CA TYR A 25 4.836 -16.879 -2.470 1.00 62.42 C ATOM 445 C TYR A 25 4.466 -15.674 -1.612 1.00 4.51 C ATOM 446 O TYR A 25 3.370 -15.605 -1.054 1.00 65.11 O ATOM 447 CB TYR A 25 3.572 -17.508 -3.058 1.00 32.44 C ATOM 448 CG TYR A 25 2.856 -16.617 -4.047 1.00 74.21 C ATOM 449 CD1 TYR A 25 3.460 -16.248 -5.243 1.00 12.23 C ATOM 450 CD2 TYR A 25 1.576 -16.144 -3.786 1.00 53.14 C ATOM 451 CE1 TYR A 25 2.810 -15.433 -6.150 1.00 32.24 C ATOM 452 CE2 TYR A 25 0.918 -15.330 -4.688 1.00 74.20 C ATOM 453 CZ TYR A 25 1.539 -14.977 -5.868 1.00 32.40 C ATOM 454 OH TYR A 25 0.887 -14.166 -6.768 1.00 41.21 O ATOM 0 H TYR A 25 5.688 -18.769 -2.152 1.00 1.12 H new ATOM 0 HA TYR A 25 5.477 -16.539 -3.283 1.00 62.42 H new ATOM 0 HB2 TYR A 25 3.837 -18.444 -3.550 1.00 32.44 H new ATOM 0 HB3 TYR A 25 2.889 -17.758 -2.246 1.00 32.44 H new ATOM 0 HD1 TYR A 25 4.455 -16.604 -5.467 1.00 12.23 H new ATOM 0 HD2 TYR A 25 1.087 -16.417 -2.863 1.00 53.14 H new ATOM 0 HE1 TYR A 25 3.294 -15.155 -7.074 1.00 32.24 H new ATOM 0 HE2 TYR A 25 -0.077 -14.972 -4.470 1.00 74.20 H new ATOM 0 HH TYR A 25 0.001 -13.935 -6.418 1.00 41.21 H new ATOM 464 N THR A 26 5.389 -14.722 -1.511 1.00 3.14 N ATOM 465 CA THR A 26 5.163 -13.518 -0.721 1.00 34.22 C ATOM 466 C THR A 26 4.440 -12.453 -1.537 1.00 42.24 C ATOM 467 O THR A 26 3.912 -11.486 -0.987 1.00 11.13 O ATOM 468 CB THR A 26 6.487 -12.935 -0.194 1.00 11.54 C ATOM 469 OG1 THR A 26 6.224 -11.974 0.835 1.00 52.41 O ATOM 470 CG2 THR A 26 7.275 -12.279 -1.318 1.00 11.04 C ATOM 0 H THR A 26 6.301 -14.762 -1.967 1.00 3.14 H new ATOM 0 HA THR A 26 4.540 -13.808 0.126 1.00 34.22 H new ATOM 0 HB THR A 26 7.081 -13.752 0.216 1.00 11.54 H new ATOM 0 HG1 THR A 26 5.450 -11.428 0.583 1.00 52.41 H new ATOM 0 HG21 THR A 26 8.206 -11.874 -0.922 1.00 11.04 H new ATOM 0 HG22 THR A 26 7.499 -13.020 -2.086 1.00 11.04 H new ATOM 0 HG23 THR A 26 6.685 -11.472 -1.753 1.00 11.04 H new ATOM 478 N LEU A 27 4.420 -12.635 -2.853 1.00 73.40 N ATOM 479 CA LEU A 27 3.761 -11.689 -3.747 1.00 34.24 C ATOM 480 C LEU A 27 2.297 -11.504 -3.360 1.00 73.40 C ATOM 481 O LEU A 27 1.669 -10.511 -3.725 1.00 54.44 O ATOM 482 CB LEU A 27 3.860 -12.171 -5.195 1.00 45.10 C ATOM 483 CG LEU A 27 5.120 -12.959 -5.555 1.00 24.02 C ATOM 484 CD1 LEU A 27 5.200 -13.182 -7.057 1.00 74.21 C ATOM 485 CD2 LEU A 27 6.363 -12.236 -5.055 1.00 73.00 C ATOM 0 H LEU A 27 4.853 -13.429 -3.325 1.00 73.40 H new ATOM 0 HA LEU A 27 4.267 -10.728 -3.655 1.00 34.24 H new ATOM 0 HB2 LEU A 27 2.992 -12.794 -5.410 1.00 45.10 H new ATOM 0 HB3 LEU A 27 3.799 -11.303 -5.851 1.00 45.10 H new ATOM 0 HG LEU A 27 5.068 -13.932 -5.066 1.00 24.02 H new ATOM 0 HD11 LEU A 27 6.103 -13.744 -7.294 1.00 74.21 H new ATOM 0 HD12 LEU A 27 4.326 -13.743 -7.389 1.00 74.21 H new ATOM 0 HD13 LEU A 27 5.228 -12.219 -7.567 1.00 74.21 H new ATOM 0 HD21 LEU A 27 7.250 -12.811 -5.320 1.00 73.00 H new ATOM 0 HD22 LEU A 27 6.420 -11.249 -5.515 1.00 73.00 H new ATOM 0 HD23 LEU A 27 6.311 -12.129 -3.972 1.00 73.00 H new ATOM 497 N ARG A 28 1.760 -12.467 -2.617 1.00 61.02 N ATOM 498 CA ARG A 28 0.370 -12.410 -2.180 1.00 45.10 C ATOM 499 C ARG A 28 0.155 -11.259 -1.202 1.00 41.51 C ATOM 500 O ARG A 28 -0.918 -11.123 -0.615 1.00 12.14 O ATOM 501 CB ARG A 28 -0.035 -13.732 -1.526 1.00 13.35 C ATOM 502 CG ARG A 28 -1.426 -14.203 -1.916 1.00 74.13 C ATOM 503 CD ARG A 28 -1.526 -15.720 -1.897 1.00 35.32 C ATOM 504 NE ARG A 28 -2.673 -16.183 -1.120 1.00 73.31 N ATOM 505 CZ ARG A 28 -2.679 -16.263 0.206 1.00 40.31 C ATOM 506 NH1 ARG A 28 -1.605 -15.911 0.899 1.00 23.30 N ATOM 507 NH2 ARG A 28 -3.761 -16.694 0.841 1.00 11.23 N ATOM 0 H ARG A 28 2.266 -13.296 -2.305 1.00 61.02 H new ATOM 0 HA ARG A 28 -0.254 -12.240 -3.057 1.00 45.10 H new ATOM 0 HB2 ARG A 28 0.689 -14.500 -1.799 1.00 13.35 H new ATOM 0 HB3 ARG A 28 0.011 -13.621 -0.443 1.00 13.35 H new ATOM 0 HG2 ARG A 28 -2.160 -13.780 -1.230 1.00 74.13 H new ATOM 0 HG3 ARG A 28 -1.671 -13.834 -2.912 1.00 74.13 H new ATOM 0 HD2 ARG A 28 -1.607 -16.091 -2.919 1.00 35.32 H new ATOM 0 HD3 ARG A 28 -0.611 -16.138 -1.477 1.00 35.32 H new ATOM 0 HE ARG A 28 -3.516 -16.460 -1.623 1.00 73.31 H new ATOM 0 HH11 ARG A 28 -0.772 -15.578 0.414 1.00 23.30 H new ATOM 0 HH12 ARG A 28 -1.612 -15.973 1.917 1.00 23.30 H new ATOM 0 HH21 ARG A 28 -4.590 -16.964 0.311 1.00 11.23 H new ATOM 0 HH22 ARG A 28 -3.764 -16.755 1.859 1.00 11.23 H new