USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 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 Single : A 1 LYS N :NH3+ -160:sc= -1.39 (180deg=-2.21) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 6 THR OG1 : rot 84:sc= 0.358 USER MOD Single : A 8 HIS : no HE2:sc= 0.0264 K(o=0.026,f=-0.7) USER MOD Single : A 9 ASN : amide:sc= 0.289 K(o=0.29,f=-7.9!) 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 HE2:sc= -1.42 K(o=-1.4,f=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.97) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 47:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.122 -1.345 8.168 1.00 75.14 N ATOM 2 CA LYS A 1 -2.724 -1.091 7.840 1.00 15.25 C ATOM 3 C LYS A 1 -2.011 -2.384 7.458 1.00 12.14 C ATOM 4 O LYS A 1 -0.845 -2.368 7.064 1.00 0.41 O ATOM 5 CB LYS A 1 -2.013 -0.435 9.026 1.00 51.40 C ATOM 6 CG LYS A 1 -0.728 0.279 8.645 1.00 64.12 C ATOM 7 CD LYS A 1 -1.006 1.646 8.044 1.00 50.43 C ATOM 8 CE LYS A 1 0.092 2.065 7.078 1.00 21.20 C ATOM 9 NZ LYS A 1 -0.462 2.534 5.778 1.00 42.31 N ATOM 0 H1 LYS A 1 -4.663 -0.460 8.093 1.00 75.14 H new ATOM 0 H2 LYS A 1 -4.512 -2.046 7.506 1.00 75.14 H new ATOM 0 H3 LYS A 1 -4.190 -1.711 9.139 1.00 75.14 H new ATOM 0 HA LYS A 1 -2.694 -0.415 6.986 1.00 15.25 H new ATOM 0 HB2 LYS A 1 -2.690 0.279 9.495 1.00 51.40 H new ATOM 0 HB3 LYS A 1 -1.788 -1.198 9.771 1.00 51.40 H new ATOM 0 HG2 LYS A 1 -0.097 0.390 9.527 1.00 64.12 H new ATOM 0 HG3 LYS A 1 -0.172 -0.327 7.930 1.00 64.12 H new ATOM 0 HD2 LYS A 1 -1.963 1.627 7.523 1.00 50.43 H new ATOM 0 HD3 LYS A 1 -1.092 2.384 8.841 1.00 50.43 H new ATOM 0 HE2 LYS A 1 0.687 2.860 7.527 1.00 21.20 H new ATOM 0 HE3 LYS A 1 0.763 1.224 6.904 1.00 21.20 H new ATOM 0 HZ1 LYS A 1 0.318 2.810 5.148 1.00 42.31 H new ATOM 0 HZ2 LYS A 1 -1.009 1.767 5.337 1.00 42.31 H new ATOM 0 HZ3 LYS A 1 -1.083 3.353 5.940 1.00 42.31 H new ATOM 23 N TYR A 2 -2.719 -3.502 7.576 1.00 12.44 N ATOM 24 CA TYR A 2 -2.153 -4.804 7.244 1.00 10.52 C ATOM 25 C TYR A 2 -2.957 -5.481 6.139 1.00 62.05 C ATOM 26 O TYR A 2 -2.534 -5.519 4.984 1.00 64.23 O ATOM 27 CB TYR A 2 -2.116 -5.698 8.484 1.00 24.32 C ATOM 28 CG TYR A 2 -1.583 -7.087 8.213 1.00 71.20 C ATOM 29 CD1 TYR A 2 -2.340 -8.213 8.512 1.00 74.34 C ATOM 30 CD2 TYR A 2 -0.323 -7.274 7.659 1.00 3.41 C ATOM 31 CE1 TYR A 2 -1.858 -9.484 8.266 1.00 22.32 C ATOM 32 CE2 TYR A 2 0.167 -8.541 7.409 1.00 44.31 C ATOM 33 CZ TYR A 2 -0.604 -9.643 7.714 1.00 3.34 C ATOM 34 OH TYR A 2 -0.119 -10.907 7.468 1.00 44.30 O ATOM 0 H TYR A 2 -3.686 -3.533 7.899 1.00 12.44 H new ATOM 0 HA TYR A 2 -1.135 -4.649 6.885 1.00 10.52 H new ATOM 0 HB2 TYR A 2 -1.498 -5.223 9.246 1.00 24.32 H new ATOM 0 HB3 TYR A 2 -3.123 -5.778 8.894 1.00 24.32 H new ATOM 0 HD1 TYR A 2 -3.322 -8.093 8.944 1.00 74.34 H new ATOM 0 HD2 TYR A 2 0.284 -6.414 7.420 1.00 3.41 H new ATOM 0 HE1 TYR A 2 -2.460 -10.348 8.505 1.00 22.32 H new ATOM 0 HE2 TYR A 2 1.149 -8.668 6.977 1.00 44.31 H new ATOM 0 HH TYR A 2 0.777 -10.843 7.077 1.00 44.30 H new ATOM 44 N GLU A 3 -4.119 -6.014 6.502 1.00 12.33 N ATOM 45 CA GLU A 3 -4.983 -6.690 5.542 1.00 62.14 C ATOM 46 C GLU A 3 -5.583 -5.694 4.554 1.00 41.32 C ATOM 47 O GLU A 3 -6.134 -6.081 3.523 1.00 62.01 O ATOM 48 CB GLU A 3 -6.101 -7.441 6.268 1.00 63.44 C ATOM 49 CG GLU A 3 -6.060 -8.945 6.056 1.00 32.52 C ATOM 50 CD GLU A 3 -7.124 -9.675 6.853 1.00 75.35 C ATOM 51 OE1 GLU A 3 -8.249 -9.143 6.966 1.00 24.14 O ATOM 52 OE2 GLU A 3 -6.834 -10.778 7.362 1.00 43.32 O ATOM 0 H GLU A 3 -4.484 -5.991 7.454 1.00 12.33 H new ATOM 0 HA GLU A 3 -4.376 -7.405 4.987 1.00 62.14 H new ATOM 0 HB2 GLU A 3 -6.035 -7.231 7.336 1.00 63.44 H new ATOM 0 HB3 GLU A 3 -7.064 -7.060 5.927 1.00 63.44 H new ATOM 0 HG2 GLU A 3 -6.192 -9.163 4.996 1.00 32.52 H new ATOM 0 HG3 GLU A 3 -5.077 -9.322 6.339 1.00 32.52 H new ATOM 59 N ILE A 4 -5.472 -4.410 4.877 1.00 13.30 N ATOM 60 CA ILE A 4 -6.003 -3.358 4.019 1.00 51.13 C ATOM 61 C ILE A 4 -5.344 -3.386 2.644 1.00 55.23 C ATOM 62 O ILE A 4 -5.918 -2.920 1.658 1.00 4.22 O ATOM 63 CB ILE A 4 -5.801 -1.965 4.644 1.00 23.12 C ATOM 64 CG1 ILE A 4 -4.317 -1.720 4.927 1.00 52.41 C ATOM 65 CG2 ILE A 4 -6.618 -1.834 5.921 1.00 24.20 C ATOM 66 CD1 ILE A 4 -3.563 -1.151 3.745 1.00 20.13 C ATOM 0 H ILE A 4 -5.019 -4.073 5.727 1.00 13.30 H new ATOM 0 HA ILE A 4 -7.071 -3.547 3.912 1.00 51.13 H new ATOM 0 HB ILE A 4 -6.146 -1.211 3.936 1.00 23.12 H new ATOM 0 HG12 ILE A 4 -4.224 -1.036 5.770 1.00 52.41 H new ATOM 0 HG13 ILE A 4 -3.852 -2.660 5.226 1.00 52.41 H new ATOM 0 HG21 ILE A 4 -6.465 -0.844 6.351 1.00 24.20 H new ATOM 0 HG22 ILE A 4 -7.675 -1.971 5.692 1.00 24.20 H new ATOM 0 HG23 ILE A 4 -6.300 -2.593 6.636 1.00 24.20 H new ATOM 0 HD11 ILE A 4 -2.518 -1.003 4.017 1.00 20.13 H new ATOM 0 HD12 ILE A 4 -3.625 -1.844 2.906 1.00 20.13 H new ATOM 0 HD13 ILE A 4 -4.002 -0.195 3.459 1.00 20.13 H new ATOM 78 N THR A 5 -4.136 -3.937 2.583 1.00 33.42 N ATOM 79 CA THR A 5 -3.399 -4.027 1.329 1.00 31.42 C ATOM 80 C THR A 5 -4.069 -5.000 0.366 1.00 33.40 C ATOM 81 O THR A 5 -3.937 -4.876 -0.852 1.00 44.10 O ATOM 82 CB THR A 5 -1.944 -4.475 1.564 1.00 71.32 C ATOM 83 OG1 THR A 5 -1.548 -4.170 2.906 1.00 61.44 O ATOM 84 CG2 THR A 5 -1.003 -3.791 0.584 1.00 63.41 C ATOM 0 H THR A 5 -3.647 -4.328 3.388 1.00 33.42 H new ATOM 0 HA THR A 5 -3.398 -3.029 0.890 1.00 31.42 H new ATOM 0 HB THR A 5 -1.888 -5.552 1.406 1.00 71.32 H new ATOM 0 HG1 THR A 5 -1.817 -4.901 3.501 1.00 61.44 H new ATOM 0 HG21 THR A 5 0.019 -4.123 0.769 1.00 63.41 H new ATOM 0 HG22 THR A 5 -1.289 -4.049 -0.436 1.00 63.41 H new ATOM 0 HG23 THR A 5 -1.063 -2.711 0.716 1.00 63.41 H new ATOM 92 N THR A 6 -4.791 -5.970 0.919 1.00 73.42 N ATOM 93 CA THR A 6 -5.482 -6.965 0.109 1.00 73.45 C ATOM 94 C THR A 6 -6.742 -6.383 -0.522 1.00 1.41 C ATOM 95 O THR A 6 -7.738 -6.148 0.163 1.00 51.33 O ATOM 96 CB THR A 6 -5.865 -8.202 0.943 1.00 23.31 C ATOM 97 OG1 THR A 6 -4.956 -8.354 2.039 1.00 11.55 O ATOM 98 CG2 THR A 6 -5.848 -9.459 0.087 1.00 64.44 C ATOM 0 H THR A 6 -4.912 -6.087 1.925 1.00 73.42 H new ATOM 0 HA THR A 6 -4.790 -7.266 -0.678 1.00 73.45 H new ATOM 0 HB THR A 6 -6.875 -8.056 1.326 1.00 23.31 H new ATOM 0 HG1 THR A 6 -5.242 -7.783 2.783 1.00 11.55 H new ATOM 0 HG21 THR A 6 -6.122 -10.319 0.698 1.00 64.44 H new ATOM 0 HG22 THR A 6 -6.562 -9.353 -0.730 1.00 64.44 H new ATOM 0 HG23 THR A 6 -4.848 -9.608 -0.321 1.00 64.44 H new ATOM 106 N ILE A 7 -6.691 -6.152 -1.829 1.00 72.14 N ATOM 107 CA ILE A 7 -7.830 -5.598 -2.552 1.00 23.33 C ATOM 108 C ILE A 7 -8.296 -6.545 -3.653 1.00 4.04 C ATOM 109 O ILE A 7 -9.199 -7.356 -3.448 1.00 14.04 O ATOM 110 CB ILE A 7 -7.490 -4.232 -3.175 1.00 52.52 C ATOM 111 CG1 ILE A 7 -5.984 -4.117 -3.417 1.00 63.01 C ATOM 112 CG2 ILE A 7 -7.975 -3.104 -2.276 1.00 61.11 C ATOM 113 CD1 ILE A 7 -5.623 -3.182 -4.550 1.00 70.02 C ATOM 0 H ILE A 7 -5.874 -6.340 -2.410 1.00 72.14 H new ATOM 0 HA ILE A 7 -8.632 -5.467 -1.825 1.00 23.33 H new ATOM 0 HB ILE A 7 -8.000 -4.151 -4.135 1.00 52.52 H new ATOM 0 HG12 ILE A 7 -5.503 -3.769 -2.503 1.00 63.01 H new ATOM 0 HG13 ILE A 7 -5.582 -5.107 -3.632 1.00 63.01 H new ATOM 0 HG21 ILE A 7 -7.727 -2.145 -2.730 1.00 61.11 H new ATOM 0 HG22 ILE A 7 -9.055 -3.178 -2.150 1.00 61.11 H new ATOM 0 HG23 ILE A 7 -7.490 -3.181 -1.303 1.00 61.11 H new ATOM 0 HD11 ILE A 7 -4.539 -3.150 -4.664 1.00 70.02 H new ATOM 0 HD12 ILE A 7 -6.075 -3.540 -5.475 1.00 70.02 H new ATOM 0 HD13 ILE A 7 -5.994 -2.181 -4.328 1.00 70.02 H new ATOM 125 N HIS A 8 -7.671 -6.438 -4.821 1.00 55.43 N ATOM 126 CA HIS A 8 -8.020 -7.286 -5.955 1.00 74.22 C ATOM 127 C HIS A 8 -6.808 -8.080 -6.433 1.00 50.43 C ATOM 128 O HIS A 8 -6.856 -8.739 -7.471 1.00 44.51 O ATOM 129 CB HIS A 8 -8.575 -6.440 -7.101 1.00 42.43 C ATOM 130 CG HIS A 8 -10.071 -6.390 -7.140 1.00 13.14 C ATOM 131 ND1 HIS A 8 -10.856 -6.464 -6.008 1.00 40.12 N ATOM 132 CD2 HIS A 8 -10.927 -6.271 -8.182 1.00 23.02 C ATOM 133 CE1 HIS A 8 -12.129 -6.394 -6.353 1.00 34.51 C ATOM 134 NE2 HIS A 8 -12.200 -6.277 -7.667 1.00 4.44 N ATOM 0 H HIS A 8 -6.921 -5.773 -5.007 1.00 55.43 H new ATOM 0 HA HIS A 8 -8.787 -7.989 -5.629 1.00 74.22 H new ATOM 0 HB2 HIS A 8 -8.188 -5.425 -7.012 1.00 42.43 H new ATOM 0 HB3 HIS A 8 -8.208 -6.839 -8.047 1.00 42.43 H new ATOM 0 HD1 HIS A 8 -10.508 -6.558 -5.054 1.00 40.12 H new ATOM 0 HD2 HIS A 8 -10.659 -6.187 -9.225 1.00 23.02 H new ATOM 0 HE1 HIS A 8 -12.970 -6.427 -5.676 1.00 34.51 H new ATOM 142 N ASN A 9 -5.723 -8.010 -5.669 1.00 64.24 N ATOM 143 CA ASN A 9 -4.497 -8.721 -6.016 1.00 52.01 C ATOM 144 C ASN A 9 -4.623 -10.208 -5.700 1.00 72.33 C ATOM 145 O ASN A 9 -3.812 -10.768 -4.962 1.00 64.41 O ATOM 146 CB ASN A 9 -3.307 -8.127 -5.260 1.00 50.34 C ATOM 147 CG ASN A 9 -3.533 -8.091 -3.761 1.00 73.23 C ATOM 148 OD1 ASN A 9 -4.291 -7.263 -3.256 1.00 50.32 O ATOM 149 ND2 ASN A 9 -2.875 -8.993 -3.042 1.00 41.23 N ATOM 0 H ASN A 9 -5.667 -7.469 -4.806 1.00 64.24 H new ATOM 0 HA ASN A 9 -4.332 -8.608 -7.087 1.00 52.01 H new ATOM 0 HB2 ASN A 9 -2.414 -8.713 -5.476 1.00 50.34 H new ATOM 0 HB3 ASN A 9 -3.119 -7.116 -5.621 1.00 50.34 H new ATOM 0 HD21 ASN A 9 -2.988 -9.018 -2.029 1.00 41.23 H new ATOM 0 HD22 ASN A 9 -2.257 -9.660 -3.503 1.00 41.23 H new ATOM 156 N LEU A 10 -5.645 -10.843 -6.264 1.00 40.44 N ATOM 157 CA LEU A 10 -5.878 -12.266 -6.044 1.00 44.11 C ATOM 158 C LEU A 10 -5.803 -13.039 -7.357 1.00 35.33 C ATOM 159 O LEU A 10 -5.558 -14.246 -7.366 1.00 4.44 O ATOM 160 CB LEU A 10 -7.242 -12.484 -5.387 1.00 24.02 C ATOM 161 CG LEU A 10 -8.462 -12.146 -6.244 1.00 63.23 C ATOM 162 CD1 LEU A 10 -9.284 -13.396 -6.519 1.00 1.35 C ATOM 163 CD2 LEU A 10 -9.313 -11.084 -5.565 1.00 12.40 C ATOM 0 H LEU A 10 -6.326 -10.395 -6.877 1.00 40.44 H new ATOM 0 HA LEU A 10 -5.098 -12.639 -5.380 1.00 44.11 H new ATOM 0 HB2 LEU A 10 -7.314 -13.529 -5.084 1.00 24.02 H new ATOM 0 HB3 LEU A 10 -7.285 -11.885 -4.478 1.00 24.02 H new ATOM 0 HG LEU A 10 -8.114 -11.748 -7.197 1.00 63.23 H new ATOM 0 HD11 LEU A 10 -10.148 -13.136 -7.130 1.00 1.35 H new ATOM 0 HD12 LEU A 10 -8.671 -14.125 -7.049 1.00 1.35 H new ATOM 0 HD13 LEU A 10 -9.623 -13.824 -5.575 1.00 1.35 H new ATOM 0 HD21 LEU A 10 -10.177 -10.856 -6.189 1.00 12.40 H new ATOM 0 HD22 LEU A 10 -9.652 -11.453 -4.597 1.00 12.40 H new ATOM 0 HD23 LEU A 10 -8.721 -10.180 -5.421 1.00 12.40 H new ATOM 175 N PHE A 11 -6.016 -12.336 -8.464 1.00 64.54 N ATOM 176 CA PHE A 11 -5.972 -12.957 -9.783 1.00 44.45 C ATOM 177 C PHE A 11 -4.682 -13.751 -9.968 1.00 72.31 C ATOM 178 O PHE A 11 -4.655 -14.754 -10.682 1.00 51.33 O ATOM 179 CB PHE A 11 -6.088 -11.891 -10.875 1.00 72.25 C ATOM 180 CG PHE A 11 -5.250 -10.672 -10.615 1.00 72.14 C ATOM 181 CD1 PHE A 11 -5.811 -9.537 -10.052 1.00 63.12 C ATOM 182 CD2 PHE A 11 -3.902 -10.661 -10.935 1.00 21.13 C ATOM 183 CE1 PHE A 11 -5.042 -8.414 -9.811 1.00 53.32 C ATOM 184 CE2 PHE A 11 -3.129 -9.541 -10.696 1.00 5.13 C ATOM 185 CZ PHE A 11 -3.700 -8.415 -10.134 1.00 64.44 C ATOM 0 H PHE A 11 -6.221 -11.337 -8.474 1.00 64.54 H new ATOM 0 HA PHE A 11 -6.815 -13.643 -9.862 1.00 44.45 H new ATOM 0 HB2 PHE A 11 -5.794 -12.327 -11.830 1.00 72.25 H new ATOM 0 HB3 PHE A 11 -7.132 -11.591 -10.969 1.00 72.25 H new ATOM 0 HD1 PHE A 11 -6.861 -9.530 -9.799 1.00 63.12 H new ATOM 0 HD2 PHE A 11 -3.451 -11.537 -11.376 1.00 21.13 H new ATOM 0 HE1 PHE A 11 -5.491 -7.536 -9.370 1.00 53.32 H new ATOM 0 HE2 PHE A 11 -2.079 -9.546 -10.948 1.00 5.13 H new ATOM 0 HZ PHE A 11 -3.098 -7.538 -9.948 1.00 64.44 H new ATOM 195 N ARG A 12 -3.615 -13.296 -9.320 1.00 14.44 N ATOM 196 CA ARG A 12 -2.322 -13.962 -9.413 1.00 71.11 C ATOM 197 C ARG A 12 -1.898 -14.519 -8.057 1.00 72.12 C ATOM 198 O ARG A 12 -0.742 -14.389 -7.654 1.00 13.32 O ATOM 199 CB ARG A 12 -1.260 -12.991 -9.932 1.00 12.31 C ATOM 200 CG ARG A 12 -1.016 -11.807 -9.011 1.00 0.43 C ATOM 201 CD ARG A 12 0.408 -11.800 -8.478 1.00 44.52 C ATOM 202 NE ARG A 12 1.304 -11.014 -9.322 1.00 45.04 N ATOM 203 CZ ARG A 12 2.512 -10.615 -8.940 1.00 44.22 C ATOM 204 NH1 ARG A 12 2.966 -10.926 -7.734 1.00 64.51 N ATOM 205 NH2 ARG A 12 3.269 -9.903 -9.765 1.00 42.24 N ATOM 0 H ARG A 12 -3.621 -12.468 -8.724 1.00 14.44 H new ATOM 0 HA ARG A 12 -2.419 -14.792 -10.113 1.00 71.11 H new ATOM 0 HB2 ARG A 12 -0.323 -13.531 -10.072 1.00 12.31 H new ATOM 0 HB3 ARG A 12 -1.565 -12.622 -10.911 1.00 12.31 H new ATOM 0 HG2 ARG A 12 -1.208 -10.879 -9.550 1.00 0.43 H new ATOM 0 HG3 ARG A 12 -1.717 -11.842 -8.177 1.00 0.43 H new ATOM 0 HD2 ARG A 12 0.414 -11.395 -7.466 1.00 44.52 H new ATOM 0 HD3 ARG A 12 0.776 -12.824 -8.413 1.00 44.52 H new ATOM 0 HE ARG A 12 0.985 -10.757 -10.256 1.00 45.04 H new ATOM 0 HH11 ARG A 12 2.387 -11.473 -7.097 1.00 64.51 H new ATOM 0 HH12 ARG A 12 3.894 -10.618 -7.443 1.00 64.51 H new ATOM 0 HH21 ARG A 12 2.923 -9.661 -10.694 1.00 42.24 H new ATOM 0 HH22 ARG A 12 4.196 -9.597 -9.470 1.00 42.24 H new ATOM 219 N LYS A 13 -2.842 -15.140 -7.358 1.00 23.25 N ATOM 220 CA LYS A 13 -2.568 -15.718 -6.047 1.00 64.33 C ATOM 221 C LYS A 13 -1.352 -16.638 -6.102 1.00 2.21 C ATOM 222 O LYS A 13 -0.264 -16.273 -5.654 1.00 11.04 O ATOM 223 CB LYS A 13 -3.786 -16.496 -5.545 1.00 53.11 C ATOM 224 CG LYS A 13 -3.503 -17.344 -4.317 1.00 40.13 C ATOM 225 CD LYS A 13 -2.938 -16.508 -3.181 1.00 20.52 C ATOM 226 CE LYS A 13 -1.523 -16.938 -2.823 1.00 52.34 C ATOM 227 NZ LYS A 13 -1.499 -17.836 -1.636 1.00 75.31 N ATOM 0 H LYS A 13 -3.804 -15.256 -7.677 1.00 23.25 H new ATOM 0 HA LYS A 13 -2.355 -14.903 -5.356 1.00 64.33 H new ATOM 0 HB2 LYS A 13 -4.586 -15.792 -5.314 1.00 53.11 H new ATOM 0 HB3 LYS A 13 -4.150 -17.141 -6.345 1.00 53.11 H new ATOM 0 HG2 LYS A 13 -4.422 -17.831 -3.990 1.00 40.13 H new ATOM 0 HG3 LYS A 13 -2.798 -18.134 -4.574 1.00 40.13 H new ATOM 0 HD2 LYS A 13 -2.938 -15.456 -3.467 1.00 20.52 H new ATOM 0 HD3 LYS A 13 -3.580 -16.601 -2.305 1.00 20.52 H new ATOM 0 HE2 LYS A 13 -1.073 -17.449 -3.674 1.00 52.34 H new ATOM 0 HE3 LYS A 13 -0.915 -16.056 -2.623 1.00 52.34 H new ATOM 0 HZ1 LYS A 13 -0.517 -18.106 -1.425 1.00 75.31 H new ATOM 0 HZ2 LYS A 13 -1.905 -17.340 -0.817 1.00 75.31 H new ATOM 0 HZ3 LYS A 13 -2.058 -18.690 -1.836 1.00 75.31 H new ATOM 241 N LEU A 14 -1.542 -17.831 -6.655 1.00 14.35 N ATOM 242 CA LEU A 14 -0.460 -18.802 -6.769 1.00 74.43 C ATOM 243 C LEU A 14 -0.211 -19.170 -8.229 1.00 2.34 C ATOM 244 O LEU A 14 0.687 -19.953 -8.539 1.00 21.44 O ATOM 245 CB LEU A 14 -0.791 -20.060 -5.964 1.00 63.42 C ATOM 246 CG LEU A 14 -1.898 -20.949 -6.532 1.00 31.03 C ATOM 247 CD1 LEU A 14 -1.392 -22.369 -6.735 1.00 41.54 C ATOM 248 CD2 LEU A 14 -3.112 -20.940 -5.614 1.00 21.21 C ATOM 0 H LEU A 14 -2.435 -18.149 -7.031 1.00 14.35 H new ATOM 0 HA LEU A 14 0.446 -18.349 -6.367 1.00 74.43 H new ATOM 0 HB2 LEU A 14 0.116 -20.657 -5.872 1.00 63.42 H new ATOM 0 HB3 LEU A 14 -1.077 -19.758 -4.956 1.00 63.42 H new ATOM 0 HG LEU A 14 -2.196 -20.550 -7.501 1.00 31.03 H new ATOM 0 HD11 LEU A 14 -2.194 -22.987 -7.140 1.00 41.54 H new ATOM 0 HD12 LEU A 14 -0.554 -22.360 -7.432 1.00 41.54 H new ATOM 0 HD13 LEU A 14 -1.065 -22.779 -5.779 1.00 41.54 H new ATOM 0 HD21 LEU A 14 -3.890 -21.578 -6.033 1.00 21.21 H new ATOM 0 HD22 LEU A 14 -2.827 -21.314 -4.631 1.00 21.21 H new ATOM 0 HD23 LEU A 14 -3.489 -19.922 -5.520 1.00 21.21 H new ATOM 260 N THR A 15 -1.010 -18.597 -9.123 1.00 14.41 N ATOM 261 CA THR A 15 -0.876 -18.862 -10.550 1.00 31.45 C ATOM 262 C THR A 15 0.151 -17.934 -11.188 1.00 12.25 C ATOM 263 O THR A 15 0.557 -18.134 -12.333 1.00 31.03 O ATOM 264 CB THR A 15 -2.222 -18.700 -11.280 1.00 72.14 C ATOM 265 OG1 THR A 15 -2.509 -17.311 -11.475 1.00 55.13 O ATOM 266 CG2 THR A 15 -3.348 -19.350 -10.491 1.00 34.11 C ATOM 0 H THR A 15 -1.758 -17.946 -8.884 1.00 14.41 H new ATOM 0 HA THR A 15 -0.539 -19.894 -10.649 1.00 31.45 H new ATOM 0 HB THR A 15 -2.147 -19.195 -12.248 1.00 72.14 H new ATOM 0 HG1 THR A 15 -3.366 -17.216 -11.941 1.00 55.13 H new ATOM 0 HG21 THR A 15 -4.289 -19.222 -11.027 1.00 34.11 H new ATOM 0 HG22 THR A 15 -3.141 -20.413 -10.370 1.00 34.11 H new ATOM 0 HG23 THR A 15 -3.423 -18.881 -9.510 1.00 34.11 H new ATOM 274 N HIS A 16 0.568 -16.917 -10.439 1.00 62.34 N ATOM 275 CA HIS A 16 1.550 -15.958 -10.932 1.00 51.24 C ATOM 276 C HIS A 16 2.674 -16.667 -11.681 1.00 62.02 C ATOM 277 O HIS A 16 3.574 -17.243 -11.069 1.00 74.42 O ATOM 278 CB HIS A 16 2.127 -15.145 -9.773 1.00 31.21 C ATOM 279 CG HIS A 16 2.292 -15.935 -8.511 1.00 74.43 C ATOM 280 ND1 HIS A 16 2.729 -17.243 -8.494 1.00 0.02 N ATOM 281 CD2 HIS A 16 2.076 -15.595 -7.219 1.00 62.00 C ATOM 282 CE1 HIS A 16 2.774 -17.673 -7.246 1.00 31.33 C ATOM 283 NE2 HIS A 16 2.383 -16.692 -6.452 1.00 61.24 N ATOM 0 H HIS A 16 0.241 -16.736 -9.490 1.00 62.34 H new ATOM 0 HA HIS A 16 1.046 -15.283 -11.624 1.00 51.24 H new ATOM 0 HB2 HIS A 16 3.096 -14.742 -10.069 1.00 31.21 H new ATOM 0 HB3 HIS A 16 1.475 -14.294 -9.577 1.00 31.21 H new ATOM 0 HD1 HIS A 16 2.978 -17.792 -9.316 1.00 0.02 H new ATOM 0 HD2 HIS A 16 1.727 -14.639 -6.858 1.00 62.00 H new ATOM 0 HE1 HIS A 16 3.079 -18.659 -6.928 1.00 31.33 H new ATOM 291 N ARG A 17 2.616 -16.621 -13.008 1.00 71.02 N ATOM 292 CA ARG A 17 3.628 -17.261 -13.840 1.00 50.20 C ATOM 293 C ARG A 17 4.328 -16.237 -14.729 1.00 12.21 C ATOM 294 O ARG A 17 5.516 -16.367 -15.027 1.00 52.33 O ATOM 295 CB ARG A 17 2.993 -18.352 -14.704 1.00 23.55 C ATOM 296 CG ARG A 17 3.320 -19.763 -14.240 1.00 12.43 C ATOM 297 CD ARG A 17 2.067 -20.619 -14.136 1.00 3.24 C ATOM 298 NE ARG A 17 2.374 -22.046 -14.188 1.00 51.30 N ATOM 299 CZ ARG A 17 1.529 -22.994 -13.798 1.00 1.32 C ATOM 300 NH1 ARG A 17 0.332 -22.668 -13.329 1.00 42.15 N ATOM 301 NH2 ARG A 17 1.881 -24.271 -13.876 1.00 52.32 N ATOM 0 H ARG A 17 1.879 -16.147 -13.530 1.00 71.02 H new ATOM 0 HA ARG A 17 4.370 -17.714 -13.182 1.00 50.20 H new ATOM 0 HB2 ARG A 17 1.911 -18.220 -14.704 1.00 23.55 H new ATOM 0 HB3 ARG A 17 3.329 -18.230 -15.734 1.00 23.55 H new ATOM 0 HG2 ARG A 17 4.020 -20.224 -14.937 1.00 12.43 H new ATOM 0 HG3 ARG A 17 3.816 -19.723 -13.270 1.00 12.43 H new ATOM 0 HD2 ARG A 17 1.550 -20.393 -13.203 1.00 3.24 H new ATOM 0 HD3 ARG A 17 1.386 -20.365 -14.948 1.00 3.24 H new ATOM 0 HE ARG A 17 3.287 -22.330 -14.543 1.00 51.30 H new ATOM 0 HH11 ARG A 17 0.058 -21.687 -13.267 1.00 42.15 H new ATOM 0 HH12 ARG A 17 -0.315 -23.398 -13.030 1.00 42.15 H new ATOM 0 HH21 ARG A 17 2.801 -24.525 -14.236 1.00 52.32 H new ATOM 0 HH22 ARG A 17 1.232 -24.998 -13.576 1.00 52.32 H new ATOM 315 N LEU A 18 3.584 -15.220 -15.149 1.00 41.42 N ATOM 316 CA LEU A 18 4.133 -14.173 -16.005 1.00 15.13 C ATOM 317 C LEU A 18 4.025 -12.808 -15.332 1.00 64.11 C ATOM 318 O LEU A 18 4.881 -11.943 -15.520 1.00 52.21 O ATOM 319 CB LEU A 18 3.402 -14.151 -17.349 1.00 3.44 C ATOM 320 CG LEU A 18 3.899 -15.145 -18.399 1.00 42.50 C ATOM 321 CD1 LEU A 18 2.787 -16.103 -18.796 1.00 13.51 C ATOM 322 CD2 LEU A 18 4.432 -14.409 -19.620 1.00 4.44 C ATOM 0 H LEU A 18 2.600 -15.098 -14.911 1.00 41.42 H new ATOM 0 HA LEU A 18 5.187 -14.392 -16.175 1.00 15.13 H new ATOM 0 HB2 LEU A 18 2.344 -14.343 -17.168 1.00 3.44 H new ATOM 0 HB3 LEU A 18 3.477 -13.146 -17.765 1.00 3.44 H new ATOM 0 HG LEU A 18 4.713 -15.726 -17.965 1.00 42.50 H new ATOM 0 HD11 LEU A 18 3.159 -16.803 -19.544 1.00 13.51 H new ATOM 0 HD12 LEU A 18 2.451 -16.655 -17.918 1.00 13.51 H new ATOM 0 HD13 LEU A 18 1.952 -15.539 -19.211 1.00 13.51 H new ATOM 0 HD21 LEU A 18 4.781 -15.132 -20.357 1.00 4.44 H new ATOM 0 HD22 LEU A 18 3.637 -13.803 -20.055 1.00 4.44 H new ATOM 0 HD23 LEU A 18 5.259 -13.764 -19.324 1.00 4.44 H new ATOM 334 N PHE A 19 2.970 -12.623 -14.546 1.00 2.03 N ATOM 335 CA PHE A 19 2.752 -11.364 -13.844 1.00 14.35 C ATOM 336 C PHE A 19 3.844 -11.123 -12.806 1.00 3.30 C ATOM 337 O PHE A 19 4.144 -9.980 -12.458 1.00 35.41 O ATOM 338 CB PHE A 19 1.380 -11.365 -13.165 1.00 40.14 C ATOM 339 CG PHE A 19 0.335 -10.600 -13.926 1.00 12.13 C ATOM 340 CD1 PHE A 19 -0.399 -9.601 -13.307 1.00 1.24 C ATOM 341 CD2 PHE A 19 0.085 -10.880 -15.260 1.00 25.34 C ATOM 342 CE1 PHE A 19 -1.361 -8.895 -14.003 1.00 53.35 C ATOM 343 CE2 PHE A 19 -0.875 -10.177 -15.962 1.00 33.34 C ATOM 344 CZ PHE A 19 -1.600 -9.184 -15.333 1.00 34.15 C ATOM 0 H PHE A 19 2.253 -13.329 -14.379 1.00 2.03 H new ATOM 0 HA PHE A 19 2.787 -10.558 -14.577 1.00 14.35 H new ATOM 0 HB2 PHE A 19 1.046 -12.395 -13.040 1.00 40.14 H new ATOM 0 HB3 PHE A 19 1.477 -10.938 -12.167 1.00 40.14 H new ATOM 0 HD1 PHE A 19 -0.217 -9.371 -12.268 1.00 1.24 H new ATOM 0 HD2 PHE A 19 0.647 -11.657 -15.757 1.00 25.34 H new ATOM 0 HE1 PHE A 19 -1.925 -8.118 -13.508 1.00 53.35 H new ATOM 0 HE2 PHE A 19 -1.058 -10.404 -17.002 1.00 33.34 H new ATOM 0 HZ PHE A 19 -2.352 -8.634 -15.879 1.00 34.15 H new ATOM 354 N ARG A 20 4.436 -12.207 -12.316 1.00 32.24 N ATOM 355 CA ARG A 20 5.494 -12.115 -11.317 1.00 13.32 C ATOM 356 C ARG A 20 6.860 -11.980 -11.983 1.00 30.42 C ATOM 357 O ARG A 20 7.774 -11.369 -11.429 1.00 52.44 O ATOM 358 CB ARG A 20 5.476 -13.346 -10.409 1.00 11.33 C ATOM 359 CG ARG A 20 5.657 -14.657 -11.156 1.00 42.32 C ATOM 360 CD ARG A 20 7.030 -15.258 -10.901 1.00 21.54 C ATOM 361 NE ARG A 20 7.002 -16.718 -10.933 1.00 65.32 N ATOM 362 CZ ARG A 20 6.545 -17.467 -9.936 1.00 71.20 C ATOM 363 NH1 ARG A 20 6.079 -16.896 -8.834 1.00 34.41 N ATOM 364 NH2 ARG A 20 6.553 -18.790 -10.040 1.00 55.14 N ATOM 0 H ARG A 20 4.201 -13.160 -12.595 1.00 32.24 H new ATOM 0 HA ARG A 20 5.314 -11.225 -10.714 1.00 13.32 H new ATOM 0 HB2 ARG A 20 6.267 -13.250 -9.665 1.00 11.33 H new ATOM 0 HB3 ARG A 20 4.530 -13.374 -9.868 1.00 11.33 H new ATOM 0 HG2 ARG A 20 4.886 -15.363 -10.846 1.00 42.32 H new ATOM 0 HG3 ARG A 20 5.525 -14.489 -12.225 1.00 42.32 H new ATOM 0 HD2 ARG A 20 7.731 -14.892 -11.651 1.00 21.54 H new ATOM 0 HD3 ARG A 20 7.398 -14.923 -9.931 1.00 21.54 H new ATOM 0 HE ARG A 20 7.353 -17.188 -11.767 1.00 65.32 H new ATOM 0 HH11 ARG A 20 6.071 -15.879 -8.751 1.00 34.41 H new ATOM 0 HH12 ARG A 20 5.728 -17.473 -8.070 1.00 34.41 H new ATOM 0 HH21 ARG A 20 6.910 -19.233 -10.886 1.00 55.14 H new ATOM 0 HH22 ARG A 20 6.202 -19.364 -9.273 1.00 55.14 H new ATOM 378 N ARG A 21 6.992 -12.557 -13.173 1.00 55.31 N ATOM 379 CA ARG A 21 8.246 -12.503 -13.914 1.00 2.15 C ATOM 380 C ARG A 21 8.441 -11.132 -14.554 1.00 4.43 C ATOM 381 O ARG A 21 9.568 -10.660 -14.702 1.00 53.24 O ATOM 382 CB ARG A 21 8.275 -13.589 -14.990 1.00 74.05 C ATOM 383 CG ARG A 21 9.548 -13.591 -15.820 1.00 22.20 C ATOM 384 CD ARG A 21 9.959 -15.003 -16.206 1.00 23.52 C ATOM 385 NE ARG A 21 9.174 -15.515 -17.326 1.00 25.30 N ATOM 386 CZ ARG A 21 9.538 -16.560 -18.062 1.00 1.14 C ATOM 387 NH1 ARG A 21 10.668 -17.201 -17.796 1.00 41.43 N ATOM 388 NH2 ARG A 21 8.770 -16.966 -19.065 1.00 3.03 N ATOM 0 H ARG A 21 6.245 -13.067 -13.645 1.00 55.31 H new ATOM 0 HA ARG A 21 9.061 -12.676 -13.211 1.00 2.15 H new ATOM 0 HB2 ARG A 21 8.160 -14.563 -14.514 1.00 74.05 H new ATOM 0 HB3 ARG A 21 7.420 -13.455 -15.652 1.00 74.05 H new ATOM 0 HG2 ARG A 21 9.397 -12.996 -16.721 1.00 22.20 H new ATOM 0 HG3 ARG A 21 10.352 -13.118 -15.256 1.00 22.20 H new ATOM 0 HD2 ARG A 21 11.017 -15.013 -16.470 1.00 23.52 H new ATOM 0 HD3 ARG A 21 9.838 -15.663 -15.347 1.00 23.52 H new ATOM 0 HE ARG A 21 8.298 -15.045 -17.556 1.00 25.30 H new ATOM 0 HH11 ARG A 21 11.260 -16.892 -17.025 1.00 41.43 H new ATOM 0 HH12 ARG A 21 10.945 -18.003 -18.362 1.00 41.43 H new ATOM 0 HH21 ARG A 21 7.900 -16.476 -19.272 1.00 3.03 H new ATOM 0 HH22 ARG A 21 9.050 -17.768 -19.629 1.00 3.03 H new ATOM 402 N ASN A 22 7.336 -10.498 -14.931 1.00 52.30 N ATOM 403 CA ASN A 22 7.385 -9.181 -15.556 1.00 63.13 C ATOM 404 C ASN A 22 7.477 -8.082 -14.503 1.00 13.54 C ATOM 405 O ASN A 22 8.100 -7.043 -14.726 1.00 31.33 O ATOM 406 CB ASN A 22 6.150 -8.962 -16.432 1.00 34.53 C ATOM 407 CG ASN A 22 6.490 -8.906 -17.908 1.00 51.05 C ATOM 408 OD1 ASN A 22 7.550 -8.413 -18.294 1.00 62.21 O ATOM 409 ND2 ASN A 22 5.589 -9.412 -18.743 1.00 0.41 N ATOM 0 H ASN A 22 6.395 -10.875 -14.815 1.00 52.30 H new ATOM 0 HA ASN A 22 8.277 -9.136 -16.181 1.00 63.13 H new ATOM 0 HB2 ASN A 22 5.436 -9.767 -16.257 1.00 34.53 H new ATOM 0 HB3 ASN A 22 5.661 -8.033 -16.139 1.00 34.53 H new ATOM 0 HD21 ASN A 22 5.763 -9.402 -19.748 1.00 0.41 H new ATOM 0 HD22 ASN A 22 4.724 -9.811 -18.379 1.00 0.41 H new ATOM 416 N PHE A 23 6.852 -8.317 -13.354 1.00 30.23 N ATOM 417 CA PHE A 23 6.862 -7.347 -12.265 1.00 22.11 C ATOM 418 C PHE A 23 8.291 -7.018 -11.843 1.00 42.12 C ATOM 419 O PHE A 23 8.563 -5.936 -11.324 1.00 23.54 O ATOM 420 CB PHE A 23 6.076 -7.885 -11.067 1.00 40.43 C ATOM 421 CG PHE A 23 4.746 -7.215 -10.874 1.00 54.22 C ATOM 422 CD1 PHE A 23 4.347 -6.786 -9.618 1.00 73.05 C ATOM 423 CD2 PHE A 23 3.894 -7.014 -11.948 1.00 73.34 C ATOM 424 CE1 PHE A 23 3.123 -6.169 -9.437 1.00 42.13 C ATOM 425 CE2 PHE A 23 2.669 -6.398 -11.773 1.00 43.54 C ATOM 426 CZ PHE A 23 2.283 -5.975 -10.516 1.00 61.42 C ATOM 0 H PHE A 23 6.332 -9.171 -13.153 1.00 30.23 H new ATOM 0 HA PHE A 23 6.387 -6.433 -12.622 1.00 22.11 H new ATOM 0 HB2 PHE A 23 5.919 -8.956 -11.197 1.00 40.43 H new ATOM 0 HB3 PHE A 23 6.673 -7.757 -10.164 1.00 40.43 H new ATOM 0 HD1 PHE A 23 5.000 -6.935 -8.771 1.00 73.05 H new ATOM 0 HD2 PHE A 23 4.190 -7.342 -12.933 1.00 73.34 H new ATOM 0 HE1 PHE A 23 2.824 -5.839 -8.453 1.00 42.13 H new ATOM 0 HE2 PHE A 23 2.014 -6.248 -12.619 1.00 43.54 H new ATOM 0 HZ PHE A 23 1.326 -5.494 -10.377 1.00 61.42 H new ATOM 436 N GLY A 24 9.201 -7.960 -12.071 1.00 22.31 N ATOM 437 CA GLY A 24 10.591 -7.753 -11.708 1.00 50.53 C ATOM 438 C GLY A 24 11.159 -6.477 -12.298 1.00 5.13 C ATOM 439 O GLY A 24 12.084 -5.886 -11.740 1.00 43.52 O ATOM 0 H GLY A 24 9.000 -8.863 -12.501 1.00 22.31 H new ATOM 0 HA2 GLY A 24 10.679 -7.718 -10.622 1.00 50.53 H new ATOM 0 HA3 GLY A 24 11.183 -8.602 -12.049 1.00 50.53 H new ATOM 443 N TYR A 25 10.607 -6.052 -13.429 1.00 21.43 N ATOM 444 CA TYR A 25 11.068 -4.841 -14.097 1.00 12.14 C ATOM 445 C TYR A 25 10.541 -3.596 -13.390 1.00 2.50 C ATOM 446 O TYR A 25 11.174 -2.539 -13.412 1.00 23.44 O ATOM 447 CB TYR A 25 10.621 -4.838 -15.559 1.00 73.44 C ATOM 448 CG TYR A 25 11.590 -5.532 -16.490 1.00 51.40 C ATOM 449 CD1 TYR A 25 12.160 -6.752 -16.148 1.00 1.35 C ATOM 450 CD2 TYR A 25 11.936 -4.966 -17.711 1.00 24.50 C ATOM 451 CE1 TYR A 25 13.047 -7.389 -16.994 1.00 53.52 C ATOM 452 CE2 TYR A 25 12.821 -5.597 -18.565 1.00 10.15 C ATOM 453 CZ TYR A 25 13.374 -6.807 -18.202 1.00 35.43 C ATOM 454 OH TYR A 25 14.256 -7.438 -19.049 1.00 2.15 O ATOM 0 H TYR A 25 9.839 -6.528 -13.902 1.00 21.43 H new ATOM 0 HA TYR A 25 12.157 -4.827 -14.057 1.00 12.14 H new ATOM 0 HB2 TYR A 25 9.648 -5.323 -15.634 1.00 73.44 H new ATOM 0 HB3 TYR A 25 10.489 -3.807 -15.888 1.00 73.44 H new ATOM 0 HD1 TYR A 25 11.905 -7.210 -15.204 1.00 1.35 H new ATOM 0 HD2 TYR A 25 11.506 -4.017 -17.997 1.00 24.50 H new ATOM 0 HE1 TYR A 25 13.482 -8.336 -16.712 1.00 53.52 H new ATOM 0 HE2 TYR A 25 13.078 -5.145 -19.511 1.00 10.15 H new ATOM 0 HH TYR A 25 14.378 -6.897 -19.857 1.00 2.15 H new ATOM 464 N THR A 26 9.377 -3.727 -12.762 1.00 74.13 N ATOM 465 CA THR A 26 8.763 -2.614 -12.049 1.00 72.20 C ATOM 466 C THR A 26 9.253 -2.548 -10.607 1.00 41.22 C ATOM 467 O THR A 26 9.359 -1.467 -10.026 1.00 23.12 O ATOM 468 CB THR A 26 7.226 -2.724 -12.052 1.00 44.33 C ATOM 469 OG1 THR A 26 6.833 -4.096 -12.166 1.00 23.04 O ATOM 470 CG2 THR A 26 6.629 -1.924 -13.200 1.00 2.50 C ATOM 0 H THR A 26 8.840 -4.594 -12.733 1.00 74.13 H new ATOM 0 HA THR A 26 9.056 -1.704 -12.572 1.00 72.20 H new ATOM 0 HB THR A 26 6.853 -2.316 -11.112 1.00 44.33 H new ATOM 0 HG1 THR A 26 7.353 -4.639 -11.537 1.00 23.04 H new ATOM 0 HG21 THR A 26 5.543 -2.017 -13.182 1.00 2.50 H new ATOM 0 HG22 THR A 26 6.906 -0.875 -13.095 1.00 2.50 H new ATOM 0 HG23 THR A 26 7.010 -2.307 -14.147 1.00 2.50 H new ATOM 478 N LEU A 27 9.552 -3.709 -10.035 1.00 15.22 N ATOM 479 CA LEU A 27 10.032 -3.783 -8.659 1.00 41.44 C ATOM 480 C LEU A 27 11.505 -4.176 -8.618 1.00 4.43 C ATOM 481 O LEU A 27 11.970 -4.778 -7.650 1.00 2.33 O ATOM 482 CB LEU A 27 9.201 -4.789 -7.861 1.00 63.03 C ATOM 483 CG LEU A 27 7.841 -4.295 -7.367 1.00 42.34 C ATOM 484 CD1 LEU A 27 7.001 -5.458 -6.865 1.00 75.45 C ATOM 485 CD2 LEU A 27 8.018 -3.251 -6.274 1.00 31.31 C ATOM 0 H LEU A 27 9.471 -4.612 -10.502 1.00 15.22 H new ATOM 0 HA LEU A 27 9.925 -2.796 -8.209 1.00 41.44 H new ATOM 0 HB2 LEU A 27 9.041 -5.671 -8.481 1.00 63.03 H new ATOM 0 HB3 LEU A 27 9.785 -5.108 -6.998 1.00 63.03 H new ATOM 0 HG LEU A 27 7.318 -3.831 -8.204 1.00 42.34 H new ATOM 0 HD11 LEU A 27 6.037 -5.087 -6.517 1.00 75.45 H new ATOM 0 HD12 LEU A 27 6.845 -6.171 -7.675 1.00 75.45 H new ATOM 0 HD13 LEU A 27 7.518 -5.952 -6.042 1.00 75.45 H new ATOM 0 HD21 LEU A 27 7.040 -2.911 -5.934 1.00 31.31 H new ATOM 0 HD22 LEU A 27 8.561 -3.689 -5.437 1.00 31.31 H new ATOM 0 HD23 LEU A 27 8.580 -2.404 -6.667 1.00 31.31 H new ATOM 497 N ARG A 28 12.235 -3.829 -9.673 1.00 70.11 N ATOM 498 CA ARG A 28 13.656 -4.145 -9.757 1.00 11.35 C ATOM 499 C ARG A 28 14.405 -3.603 -8.543 1.00 4.41 C ATOM 500 O ARG A 28 15.573 -3.225 -8.640 1.00 62.41 O ATOM 501 CB ARG A 28 14.254 -3.565 -11.040 1.00 23.24 C ATOM 502 CG ARG A 28 14.171 -2.050 -11.120 1.00 50.31 C ATOM 503 CD ARG A 28 14.940 -1.512 -12.317 1.00 72.30 C ATOM 504 NE ARG A 28 15.907 -0.488 -11.931 1.00 53.15 N ATOM 505 CZ ARG A 28 16.890 -0.072 -12.721 1.00 44.40 C ATOM 506 NH1 ARG A 28 17.036 -0.589 -13.933 1.00 3.00 N ATOM 507 NH2 ARG A 28 17.731 0.865 -12.299 1.00 35.22 N ATOM 0 H ARG A 28 11.866 -3.329 -10.482 1.00 70.11 H new ATOM 0 HA ARG A 28 13.762 -5.230 -9.773 1.00 11.35 H new ATOM 0 HB2 ARG A 28 15.299 -3.867 -11.113 1.00 23.24 H new ATOM 0 HB3 ARG A 28 13.737 -3.995 -11.898 1.00 23.24 H new ATOM 0 HG2 ARG A 28 13.127 -1.745 -11.190 1.00 50.31 H new ATOM 0 HG3 ARG A 28 14.570 -1.614 -10.204 1.00 50.31 H new ATOM 0 HD2 ARG A 28 15.459 -2.332 -12.813 1.00 72.30 H new ATOM 0 HD3 ARG A 28 14.239 -1.095 -13.040 1.00 72.30 H new ATOM 0 HE ARG A 28 15.823 -0.070 -11.005 1.00 53.15 H new ATOM 0 HH11 ARG A 28 16.392 -1.309 -14.261 1.00 3.00 H new ATOM 0 HH12 ARG A 28 17.792 -0.267 -14.537 1.00 3.00 H new ATOM 0 HH21 ARG A 28 17.622 1.266 -11.367 1.00 35.22 H new ATOM 0 HH22 ARG A 28 18.486 1.184 -12.906 1.00 35.22 H new TER 521 ARG A 28