Browse entries in the PDBbind-CN Database
HEADER 2K4I_COMPLEX COMPND 2K4I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 GLY ALA ARG ASN SER VAL LEU ARG GLY LYS LYS ALA ASP SEQRES 2 A 134 GLU LEU GLU ARG ILE ARG LEU ARG PRO GLY GLY LYS LYS SEQRES 3 A 134 LYS TYR ARG LEU LYS HIS ILE VAL TRP ALA ALA ASN LYS SEQRES 4 A 134 LEU ASP ARG PHE GLY LEU ALA GLU SER LEU LEU GLU SER SEQRES 5 A 134 LYS GLU GLY CYS GLN LYS ILE LEU THR VAL LEU ASP PRO SEQRES 6 A 134 MET VAL PRO THR GLY SER GLU ASN LEU LYS SER LEU PHE SEQRES 7 A 134 ASN THR VAL CYS VAL ILE TRP CYS ILE HIS ALA GLU GLU SEQRES 8 A 134 LYS VAL LYS ASP THR GLU GLY ALA LYS GLN ILE VAL ARG SEQRES 9 A 134 ARG HIS LEU VAL ALA GLU THR GLY THR ALA GLU LYS MET SEQRES 10 A 134 PRO SER THR SER ARG PRO THR ALA PRO SER SER GLU LYS SEQRES 11 A 134 GLY GLY ASN TYR HET PBU A 135 67 ATOM 1 N GLY A 2 7.842 11.134 0.059 1.00 45.43 N ATOM 2 CA GLY A 2 7.100 12.315 0.459 1.00 42.41 C ATOM 3 C GLY A 2 7.285 12.647 1.926 1.00 24.14 C ATOM 4 O GLY A 2 8.348 12.400 2.496 1.00 51.20 O ATOM 5 HA3 GLY A 2 6.040 12.143 0.270 1.00 0.00 H ATOM 6 HA2 GLY A 2 7.441 13.161 -0.137 1.00 0.00 H ATOM 7 HN3 GLY A 2 7.518 10.318 0.616 1.00 0.00 H ATOM 8 HN2 GLY A 2 8.856 11.290 0.227 1.00 0.00 H ATOM 9 HN1 GLY A 2 7.681 10.951 -0.952 1.00 0.00 H ATOM 10 N ALA A 3 6.249 13.209 2.540 1.00 42.33 N ATOM 11 CA ALA A 3 6.302 13.575 3.950 1.00 64.03 C ATOM 12 C ALA A 3 4.939 14.043 4.447 1.00 2.33 C ATOM 13 O ALA A 3 4.494 13.652 5.526 1.00 75.51 O ATOM 14 CB ALA A 3 7.349 14.656 4.175 1.00 12.33 C ATOM 15 HA ALA A 3 6.582 12.689 4.520 1.00 0.00 H ATOM 16 HB1 ALA A 3 8.326 14.284 3.866 1.00 0.00 H ATOM 17 HB2 ALA A 3 7.092 15.537 3.587 1.00 0.00 H ATOM 18 HB3 ALA A 3 7.377 14.919 5.233 1.00 0.00 H ATOM 19 H ALA A 3 5.379 13.392 2.001 1.00 0.00 H ATOM 20 N ARG A 4 4.282 14.884 3.655 1.00 1.00 N ATOM 21 CA ARG A 4 2.970 15.407 4.017 1.00 42.24 C ATOM 22 C ARG A 4 1.981 14.272 4.263 1.00 61.32 C ATOM 23 O ARG A 4 1.475 13.661 3.322 1.00 5.12 O ATOM 24 CB ARG A 4 2.443 16.327 2.914 1.00 52.10 C ATOM 25 CG ARG A 4 2.745 17.798 3.151 1.00 32.35 C ATOM 26 CD ARG A 4 4.226 18.097 2.980 1.00 52.11 C ATOM 27 NE ARG A 4 4.528 19.509 3.198 1.00 13.24 N ATOM 28 CZ ARG A 4 4.586 20.071 4.401 1.00 64.41 C ATOM 29 NH1 ARG A 4 4.366 19.343 5.487 1.00 14.32 N ATOM 30 NH2 ARG A 4 4.867 21.362 4.518 1.00 1.14 N ATOM 31 HA ARG A 4 3.076 15.979 4.939 1.00 0.00 H ATOM 32 HB2 ARG A 4 2.899 16.029 1.970 1.00 0.00 H ATOM 33 HB3 ARG A 4 1.362 16.203 2.849 1.00 0.00 H ATOM 34 HG2 ARG A 4 2.178 18.396 2.437 1.00 0.00 H ATOM 35 HG3 ARG A 4 2.445 18.063 4.165 1.00 0.00 H ATOM 36 HD2 ARG A 4 4.526 17.825 1.968 1.00 0.00 H ATOM 37 HD3 ARG A 4 4.791 17.501 3.697 1.00 0.00 H ATOM 38 HE ARG A 4 4.707 20.107 2.367 1.00 0.00 H ATOM 39 HH12 ARG A 4 4.412 19.785 6.427 1.00 0.00 H ATOM 40 HH11 ARG A 4 4.148 18.330 5.399 1.00 0.00 H ATOM 41 HH22 ARG A 4 4.912 21.801 5.460 1.00 0.00 H ATOM 42 HH21 ARG A 4 5.042 21.935 3.668 1.00 0.00 H ATOM 43 H ARG A 4 4.714 15.176 2.755 1.00 0.00 H ATOM 44 N ASN A 5 1.711 13.995 5.534 1.00 32.53 N ATOM 45 CA ASN A 5 0.783 12.932 5.904 1.00 22.34 C ATOM 46 C ASN A 5 1.157 11.620 5.220 1.00 4.51 C ATOM 47 O ASN A 5 0.296 10.787 4.939 1.00 0.22 O ATOM 48 CB ASN A 5 -0.648 13.324 5.533 1.00 73.51 C ATOM 49 CG ASN A 5 -1.269 14.270 6.542 1.00 34.54 C ATOM 50 OD1 ASN A 5 -0.686 14.547 7.591 1.00 71.44 O ATOM 51 ND2 ASN A 5 -2.459 14.770 6.230 1.00 11.01 N ATOM 52 HA ASN A 5 0.845 12.789 6.983 1.00 0.00 H ATOM 53 HB2 ASN A 5 -0.636 13.811 4.558 1.00 0.00 H ATOM 54 HB3 ASN A 5 -1.256 12.421 5.479 1.00 0.00 H ATOM 55 HD22 ASN A 5 -2.914 14.508 5.332 1.00 0.00 H ATOM 56 HD21 ASN A 5 -2.936 15.424 6.883 1.00 0.00 H ATOM 57 H ASN A 5 2.172 14.549 6.283 1.00 0.00 H ATOM 58 N SER A 6 2.448 11.445 4.955 1.00 20.34 N ATOM 59 CA SER A 6 2.936 10.236 4.301 1.00 5.42 C ATOM 60 C SER A 6 2.230 10.018 2.967 1.00 63.14 C ATOM 61 O SER A 6 1.442 10.854 2.524 1.00 64.33 O ATOM 62 CB SER A 6 2.728 9.021 5.207 1.00 72.14 C ATOM 63 OG SER A 6 2.493 9.417 6.547 1.00 44.53 O ATOM 64 HA SER A 6 4.002 10.360 4.112 1.00 0.00 H ATOM 65 HB2 SER A 6 3.619 8.394 5.172 1.00 0.00 H ATOM 66 HB3 SER A 6 1.870 8.452 4.848 1.00 0.00 H ATOM 67 HG SER A 6 1.682 9.983 6.585 1.00 0.00 H ATOM 68 H SER A 6 3.126 12.188 5.220 1.00 0.00 H ATOM 69 N VAL A 7 2.519 8.887 2.330 1.00 51.33 N ATOM 70 CA VAL A 7 1.912 8.557 1.046 1.00 33.40 C ATOM 71 C VAL A 7 0.629 7.756 1.235 1.00 35.52 C ATOM 72 O VAL A 7 -0.365 7.981 0.543 1.00 11.20 O ATOM 73 CB VAL A 7 2.880 7.753 0.158 1.00 73.51 C ATOM 74 CG1 VAL A 7 2.283 7.538 -1.225 1.00 1.51 C ATOM 75 CG2 VAL A 7 4.225 8.456 0.064 1.00 42.10 C ATOM 76 HA VAL A 7 1.678 9.501 0.554 1.00 0.00 H ATOM 77 HB VAL A 7 3.038 6.776 0.615 1.00 0.00 H ATOM 78 HG11 VAL A 7 1.346 6.988 -1.134 1.00 0.00 H ATOM 79 HG12 VAL A 7 2.094 8.505 -1.692 1.00 0.00 H ATOM 80 HG13 VAL A 7 2.982 6.968 -1.837 1.00 0.00 H ATOM 81 HG21 VAL A 7 4.086 9.447 -0.369 1.00 0.00 H ATOM 82 HG22 VAL A 7 4.654 8.551 1.061 1.00 0.00 H ATOM 83 HG23 VAL A 7 4.895 7.873 -0.567 1.00 0.00 H ATOM 84 H VAL A 7 3.194 8.222 2.758 1.00 0.00 H ATOM 85 N LEU A 8 0.656 6.819 2.177 1.00 52.10 N ATOM 86 CA LEU A 8 -0.506 5.983 2.459 1.00 52.33 C ATOM 87 C LEU A 8 -1.610 6.794 3.132 1.00 64.44 C ATOM 88 O LEU A 8 -1.336 7.684 3.937 1.00 34.42 O ATOM 89 CB LEU A 8 -0.108 4.805 3.349 1.00 2.12 C ATOM 90 CG LEU A 8 0.195 3.491 2.628 1.00 5.30 C ATOM 91 CD1 LEU A 8 0.894 2.518 3.564 1.00 23.51 C ATOM 92 CD2 LEU A 8 -1.083 2.878 2.076 1.00 53.52 C ATOM 93 HA LEU A 8 -0.887 5.602 1.512 1.00 0.00 H ATOM 94 HB2 LEU A 8 0.784 5.094 3.905 1.00 0.00 H ATOM 95 HB3 LEU A 8 -0.926 4.622 4.046 1.00 0.00 H ATOM 96 HG LEU A 8 0.862 3.703 1.793 1.00 0.00 H ATOM 97 HD21 LEU A 8 -1.774 2.681 2.896 1.00 0.00 H ATOM 98 HD22 LEU A 8 -1.542 3.571 1.371 1.00 0.00 H ATOM 99 HD23 LEU A 8 -0.846 1.944 1.567 1.00 0.00 H ATOM 100 HD11 LEU A 8 1.830 2.957 3.909 1.00 0.00 H ATOM 101 HD12 LEU A 8 0.250 2.313 4.419 1.00 0.00 H ATOM 102 HD13 LEU A 8 1.101 1.589 3.032 1.00 0.00 H ATOM 103 H LEU A 8 1.527 6.678 2.727 1.00 0.00 H ATOM 104 N ARG A 9 -2.856 6.478 2.797 1.00 34.10 N ATOM 105 CA ARG A 9 -4.001 7.176 3.370 1.00 71.14 C ATOM 106 C ARG A 9 -4.478 6.484 4.643 1.00 13.23 C ATOM 107 O ARG A 9 -3.890 5.497 5.084 1.00 51.54 O ATOM 108 CB ARG A 9 -5.144 7.244 2.355 1.00 62.02 C ATOM 109 CG ARG A 9 -5.527 8.662 1.964 1.00 73.24 C ATOM 110 CD ARG A 9 -7.035 8.818 1.842 1.00 71.52 C ATOM 111 NE ARG A 9 -7.405 9.739 0.771 1.00 14.33 N ATOM 112 CZ ARG A 9 -7.362 11.061 0.892 1.00 15.54 C ATOM 113 NH1 ARG A 9 -6.967 11.614 2.031 1.00 60.20 N ATOM 114 NH2 ARG A 9 -7.715 11.834 -0.127 1.00 52.12 N ATOM 115 HA ARG A 9 -3.688 8.189 3.623 1.00 0.00 H ATOM 116 HB2 ARG A 9 -4.839 6.709 1.456 1.00 0.00 H ATOM 117 HB3 ARG A 9 -6.018 6.757 2.787 1.00 0.00 H ATOM 118 HG2 ARG A 9 -5.160 9.351 2.725 1.00 0.00 H ATOM 119 HG3 ARG A 9 -5.067 8.902 1.005 1.00 0.00 H ATOM 120 HD2 ARG A 9 -7.427 9.199 2.785 1.00 0.00 H ATOM 121 HD3 ARG A 9 -7.474 7.842 1.635 1.00 0.00 H ATOM 122 HE ARG A 9 -7.719 9.338 -0.136 1.00 0.00 H ATOM 123 HH12 ARG A 9 -6.934 12.649 2.123 1.00 0.00 H ATOM 124 HH11 ARG A 9 -6.690 11.012 2.833 1.00 0.00 H ATOM 125 HH22 ARG A 9 -7.681 12.869 -0.031 1.00 0.00 H ATOM 126 HH21 ARG A 9 -8.026 11.405 -1.022 1.00 0.00 H ATOM 127 H ARG A 9 -3.019 5.715 2.110 1.00 0.00 H ATOM 128 N GLY A 10 -5.549 7.010 5.231 1.00 42.10 N ATOM 129 CA GLY A 10 -6.086 6.431 6.448 1.00 14.13 C ATOM 130 C GLY A 10 -7.023 5.271 6.174 1.00 25.13 C ATOM 131 O GLY A 10 -6.765 4.143 6.594 1.00 30.53 O ATOM 132 HA3 GLY A 10 -6.633 7.202 6.991 1.00 0.00 H ATOM 133 HA2 GLY A 10 -5.258 6.075 7.061 1.00 0.00 H ATOM 134 H GLY A 10 -6.006 7.846 4.814 1.00 0.00 H ATOM 135 N LYS A 11 -8.114 5.547 5.469 1.00 50.32 N ATOM 136 CA LYS A 11 -9.093 4.519 5.139 1.00 73.31 C ATOM 137 C LYS A 11 -8.474 3.442 4.254 1.00 61.31 C ATOM 138 O LYS A 11 -8.795 2.260 4.380 1.00 62.34 O ATOM 139 CB LYS A 11 -10.300 5.142 4.433 1.00 20.34 C ATOM 140 CG LYS A 11 -11.480 5.394 5.356 1.00 73.14 C ATOM 141 CD LYS A 11 -11.436 6.792 5.949 1.00 64.00 C ATOM 142 CE LYS A 11 -12.532 6.993 6.984 1.00 5.43 C ATOM 143 NZ LYS A 11 -12.332 6.127 8.179 1.00 73.54 N ATOM 144 HA LYS A 11 -9.423 4.056 6.069 1.00 0.00 H ATOM 145 HB2 LYS A 11 -9.993 6.093 3.998 1.00 0.00 H ATOM 146 HB3 LYS A 11 -10.621 4.468 3.639 1.00 0.00 H ATOM 147 HG2 LYS A 11 -12.404 5.278 4.789 1.00 0.00 H ATOM 148 HG3 LYS A 11 -11.458 4.665 6.166 1.00 0.00 H ATOM 149 HD2 LYS A 11 -10.467 6.945 6.424 1.00 0.00 H ATOM 150 HD3 LYS A 11 -11.566 7.521 5.149 1.00 0.00 H ATOM 151 HE2 LYS A 11 -13.494 6.752 6.531 1.00 0.00 H ATOM 152 HE3 LYS A 11 -12.532 8.036 7.300 1.00 0.00 H ATOM 153 HZ1 LYS A 11 -12.338 5.129 7.887 1.00 0.00 H ATOM 154 HZ2 LYS A 11 -11.419 6.355 8.622 1.00 0.00 H ATOM 155 HZ3 LYS A 11 -13.100 6.295 8.860 1.00 0.00 H ATOM 156 H LYS A 11 -8.274 6.522 5.144 1.00 0.00 H ATOM 157 N LYS A 12 -7.584 3.857 3.359 1.00 3.33 N ATOM 158 CA LYS A 12 -6.917 2.929 2.455 1.00 65.43 C ATOM 159 C LYS A 12 -5.920 2.054 3.210 1.00 53.51 C ATOM 160 O LYS A 12 -5.765 0.872 2.908 1.00 63.31 O ATOM 161 CB LYS A 12 -6.198 3.695 1.343 1.00 44.55 C ATOM 162 CG LYS A 12 -7.033 3.871 0.087 1.00 53.25 C ATOM 163 CD LYS A 12 -7.915 5.106 0.172 1.00 74.53 C ATOM 164 CE LYS A 12 -8.959 5.122 -0.934 1.00 52.15 C ATOM 165 NZ LYS A 12 -9.423 6.504 -1.239 1.00 2.21 N ATOM 166 HA LYS A 12 -7.677 2.285 2.012 1.00 0.00 H ATOM 167 HB2 LYS A 12 -5.932 4.682 1.721 1.00 0.00 H ATOM 168 HB3 LYS A 12 -5.291 3.151 1.080 1.00 0.00 H ATOM 169 HG2 LYS A 12 -6.367 3.969 -0.770 1.00 0.00 H ATOM 170 HG3 LYS A 12 -7.665 2.993 -0.044 1.00 0.00 H ATOM 171 HD2 LYS A 12 -8.421 5.115 1.137 1.00 0.00 H ATOM 172 HD3 LYS A 12 -7.290 5.995 0.083 1.00 0.00 H ATOM 173 HE2 LYS A 12 -9.814 4.524 -0.620 1.00 0.00 H ATOM 174 HE3 LYS A 12 -8.525 4.689 -1.835 1.00 0.00 H ATOM 175 HZ1 LYS A 12 -9.845 6.923 -0.386 1.00 0.00 H ATOM 176 HZ2 LYS A 12 -8.614 7.080 -1.546 1.00 0.00 H ATOM 177 HZ3 LYS A 12 -10.133 6.470 -1.998 1.00 0.00 H ATOM 178 H LYS A 12 -7.358 4.870 3.302 1.00 0.00 H ATOM 179 N ALA A 13 -5.249 2.644 4.194 1.00 54.42 N ATOM 180 CA ALA A 13 -4.271 1.918 4.994 1.00 13.11 C ATOM 181 C ALA A 13 -4.869 0.634 5.560 1.00 52.43 C ATOM 182 O ALA A 13 -4.167 -0.359 5.746 1.00 64.30 O ATOM 183 CB ALA A 13 -3.750 2.800 6.119 1.00 52.20 C ATOM 184 HA ALA A 13 -3.438 1.645 4.345 1.00 0.00 H ATOM 185 HB1 ALA A 13 -3.277 3.686 5.695 1.00 0.00 H ATOM 186 HB2 ALA A 13 -4.581 3.101 6.758 1.00 0.00 H ATOM 187 HB3 ALA A 13 -3.021 2.243 6.707 1.00 0.00 H ATOM 188 H ALA A 13 -5.426 3.648 4.398 1.00 0.00 H ATOM 189 N ASP A 14 -6.169 0.662 5.831 1.00 12.55 N ATOM 190 CA ASP A 14 -6.862 -0.500 6.376 1.00 42.31 C ATOM 191 C ASP A 14 -6.790 -1.677 5.409 1.00 60.32 C ATOM 192 O ASP A 14 -6.195 -2.710 5.717 1.00 54.31 O ATOM 193 CB ASP A 14 -8.322 -0.157 6.674 1.00 52.54 C ATOM 194 CG ASP A 14 -8.839 -0.853 7.917 1.00 23.21 C ATOM 195 OD1 ASP A 14 -8.453 -0.441 9.031 1.00 72.11 O ATOM 196 OD2 ASP A 14 -9.628 -1.811 7.776 1.00 22.15 O ATOM 197 HA ASP A 14 -6.368 -0.785 7.305 1.00 0.00 H ATOM 198 HB2 ASP A 14 -8.407 0.920 6.815 1.00 0.00 H ATOM 199 HB3 ASP A 14 -8.933 -0.460 5.824 1.00 0.00 H ATOM 200 H ASP A 14 -6.706 1.534 5.650 1.00 0.00 H ATOM 201 N GLU A 15 -7.401 -1.514 4.239 1.00 23.43 N ATOM 202 CA GLU A 15 -7.407 -2.565 3.229 1.00 71.44 C ATOM 203 C GLU A 15 -5.987 -3.032 2.920 1.00 53.23 C ATOM 204 O GLU A 15 -5.740 -4.224 2.734 1.00 23.11 O ATOM 205 CB GLU A 15 -8.082 -2.069 1.949 1.00 53.34 C ATOM 206 CG GLU A 15 -9.583 -2.307 1.920 1.00 64.32 C ATOM 207 CD GLU A 15 -10.367 -1.163 2.532 1.00 52.04 C ATOM 208 OE1 GLU A 15 -10.152 -0.006 2.115 1.00 4.34 O ATOM 209 OE2 GLU A 15 -11.197 -1.426 3.427 1.00 14.30 O ATOM 210 HA GLU A 15 -7.971 -3.410 3.625 1.00 0.00 H ATOM 211 HB2 GLU A 15 -7.901 -0.998 1.856 1.00 0.00 H ATOM 212 HB3 GLU A 15 -7.634 -2.587 1.100 1.00 0.00 H ATOM 213 HG2 GLU A 15 -9.897 -2.431 0.884 1.00 0.00 H ATOM 214 HG3 GLU A 15 -9.803 -3.218 2.476 1.00 0.00 H ATOM 215 H GLU A 15 -7.886 -0.616 4.040 1.00 0.00 H ATOM 216 N LEU A 16 -5.058 -2.084 2.866 1.00 53.24 N ATOM 217 CA LEU A 16 -3.662 -2.396 2.579 1.00 55.14 C ATOM 218 C LEU A 16 -3.071 -3.291 3.663 1.00 44.41 C ATOM 219 O LEU A 16 -2.423 -4.294 3.367 1.00 34.50 O ATOM 220 CB LEU A 16 -2.845 -1.108 2.462 1.00 71.24 C ATOM 221 CG LEU A 16 -1.419 -1.264 1.932 1.00 20.25 C ATOM 222 CD1 LEU A 16 -0.492 -1.756 3.033 1.00 31.22 C ATOM 223 CD2 LEU A 16 -1.392 -2.215 0.745 1.00 22.40 C ATOM 224 HA LEU A 16 -3.622 -2.931 1.630 1.00 0.00 H ATOM 225 HB2 LEU A 16 -3.378 -0.434 1.791 1.00 0.00 H ATOM 226 HB3 LEU A 16 -2.785 -0.659 3.454 1.00 0.00 H ATOM 227 HG LEU A 16 -1.067 -0.288 1.598 1.00 0.00 H ATOM 228 HD21 LEU A 16 -1.764 -3.192 1.055 1.00 0.00 H ATOM 229 HD22 LEU A 16 -2.024 -1.820 -0.050 1.00 0.00 H ATOM 230 HD23 LEU A 16 -0.369 -2.313 0.382 1.00 0.00 H ATOM 231 HD11 LEU A 16 -0.489 -1.037 3.852 1.00 0.00 H ATOM 232 HD12 LEU A 16 -0.843 -2.722 3.397 1.00 0.00 H ATOM 233 HD13 LEU A 16 0.518 -1.861 2.636 1.00 0.00 H ATOM 234 H LEU A 16 -5.333 -1.095 3.032 1.00 0.00 H ATOM 235 N GLU A 17 -3.299 -2.920 4.919 1.00 71.00 N ATOM 236 CA GLU A 17 -2.789 -3.691 6.047 1.00 51.31 C ATOM 237 C GLU A 17 -3.560 -4.998 6.205 1.00 23.23 C ATOM 238 O GLU A 17 -3.136 -5.897 6.932 1.00 2.34 O ATOM 239 CB GLU A 17 -2.882 -2.872 7.336 1.00 1.22 C ATOM 240 CG GLU A 17 -2.066 -3.446 8.482 1.00 31.31 C ATOM 241 CD GLU A 17 -0.832 -2.621 8.791 1.00 12.21 C ATOM 242 OE1 GLU A 17 -0.969 -1.577 9.463 1.00 62.21 O ATOM 243 OE2 GLU A 17 0.270 -3.019 8.361 1.00 65.42 O ATOM 244 HA GLU A 17 -1.743 -3.928 5.850 1.00 0.00 H ATOM 245 HB2 GLU A 17 -2.525 -1.863 7.130 1.00 0.00 H ATOM 246 HB3 GLU A 17 -3.927 -2.831 7.644 1.00 0.00 H ATOM 247 HG2 GLU A 17 -2.693 -3.483 9.373 1.00 0.00 H ATOM 248 HG3 GLU A 17 -1.753 -4.456 8.217 1.00 0.00 H ATOM 249 H GLU A 17 -3.854 -2.060 5.102 1.00 0.00 H ATOM 250 N ARG A 18 -4.694 -5.096 5.520 1.00 72.40 N ATOM 251 CA ARG A 18 -5.525 -6.292 5.586 1.00 73.45 C ATOM 252 C ARG A 18 -5.009 -7.366 4.632 1.00 52.01 C ATOM 253 O ARG A 18 -4.977 -8.549 4.973 1.00 43.14 O ATOM 254 CB ARG A 18 -6.977 -5.949 5.247 1.00 72.52 C ATOM 255 CG ARG A 18 -7.994 -6.713 6.080 1.00 4.11 C ATOM 256 CD ARG A 18 -9.178 -5.836 6.455 1.00 52.04 C ATOM 257 NE ARG A 18 -10.414 -6.605 6.569 1.00 73.42 N ATOM 258 CZ ARG A 18 -11.611 -6.053 6.737 1.00 63.24 C ATOM 259 NH1 ARG A 18 -11.732 -4.735 6.809 1.00 41.11 N ATOM 260 NH2 ARG A 18 -12.689 -6.820 6.832 1.00 73.31 N ATOM 261 HA ARG A 18 -5.478 -6.681 6.603 1.00 0.00 H ATOM 262 HB2 ARG A 18 -7.127 -4.882 5.413 1.00 0.00 H ATOM 263 HB3 ARG A 18 -7.149 -6.180 4.196 1.00 0.00 H ATOM 264 HG2 ARG A 18 -8.353 -7.567 5.506 1.00 0.00 H ATOM 265 HG3 ARG A 18 -7.512 -7.067 6.991 1.00 0.00 H ATOM 266 HD2 ARG A 18 -9.308 -5.073 5.688 1.00 0.00 H ATOM 267 HD3 ARG A 18 -8.972 -5.356 7.412 1.00 0.00 H ATOM 268 HE ARG A 18 -10.354 -7.642 6.516 1.00 0.00 H ATOM 269 HH12 ARG A 18 -12.670 -4.305 6.941 1.00 0.00 H ATOM 270 HH11 ARG A 18 -10.889 -4.131 6.734 1.00 0.00 H ATOM 271 HH22 ARG A 18 -13.625 -6.387 6.963 1.00 0.00 H ATOM 272 HH21 ARG A 18 -12.598 -7.854 6.775 1.00 0.00 H ATOM 273 H ARG A 18 -4.996 -4.300 4.922 1.00 0.00 H ATOM 274 N ILE A 19 -4.608 -6.945 3.437 1.00 23.32 N ATOM 275 CA ILE A 19 -4.093 -7.871 2.435 1.00 10.44 C ATOM 276 C ILE A 19 -2.947 -8.706 2.996 1.00 41.12 C ATOM 277 O ILE A 19 -2.080 -8.193 3.704 1.00 32.21 O ATOM 278 CB ILE A 19 -3.604 -7.125 1.179 1.00 21.44 C ATOM 279 CG1 ILE A 19 -4.748 -6.321 0.559 1.00 1.54 C ATOM 280 CG2 ILE A 19 -3.033 -8.109 0.169 1.00 4.10 C ATOM 281 CD1 ILE A 19 -4.313 -4.984 0.000 1.00 22.04 C ATOM 282 HA ILE A 19 -4.917 -8.529 2.159 1.00 0.00 H ATOM 283 HB ILE A 19 -2.814 -6.432 1.470 1.00 0.00 H ATOM 284 HG12 ILE A 19 -5.184 -6.908 -0.250 1.00 0.00 H ATOM 285 HG13 ILE A 19 -5.502 -6.146 1.326 1.00 0.00 H ATOM 286 HD11 ILE A 19 -3.884 -4.379 0.799 1.00 0.00 H ATOM 287 HD12 ILE A 19 -3.566 -5.143 -0.778 1.00 0.00 H ATOM 288 HD13 ILE A 19 -5.176 -4.470 -0.423 1.00 0.00 H ATOM 289 HG21 ILE A 19 -2.194 -8.641 0.617 1.00 0.00 H ATOM 290 HG22 ILE A 19 -3.806 -8.822 -0.118 1.00 0.00 H ATOM 291 HG23 ILE A 19 -2.692 -7.566 -0.713 1.00 0.00 H ATOM 292 H ILE A 19 -4.663 -5.931 3.211 1.00 0.00 H ATOM 293 N ARG A 20 -2.948 -9.995 2.672 1.00 13.13 N ATOM 294 CA ARG A 20 -1.908 -10.902 3.143 1.00 52.21 C ATOM 295 C ARG A 20 -0.971 -11.293 2.004 1.00 54.44 C ATOM 296 O ARG A 20 -1.403 -11.469 0.863 1.00 1.33 O ATOM 297 CB ARG A 20 -2.534 -12.156 3.756 1.00 52.14 C ATOM 298 CG ARG A 20 -3.723 -12.688 2.972 1.00 62.41 C ATOM 299 CD ARG A 20 -5.036 -12.145 3.514 1.00 63.14 C ATOM 300 NE ARG A 20 -5.446 -12.826 4.739 1.00 72.35 N ATOM 301 CZ ARG A 20 -6.575 -12.559 5.385 1.00 11.44 C ATOM 302 NH1 ARG A 20 -7.402 -11.629 4.926 1.00 23.22 N ATOM 303 NH2 ARG A 20 -6.879 -13.221 6.494 1.00 72.41 N ATOM 304 HA ARG A 20 -1.328 -10.384 3.906 1.00 0.00 H ATOM 305 HB2 ARG A 20 -1.773 -12.935 3.800 1.00 0.00 H ATOM 306 HB3 ARG A 20 -2.866 -11.917 4.766 1.00 0.00 H ATOM 307 HG2 ARG A 20 -3.621 -12.391 1.928 1.00 0.00 H ATOM 308 HG3 ARG A 20 -3.734 -13.776 3.040 1.00 0.00 H ATOM 309 HD2 ARG A 20 -5.811 -12.280 2.760 1.00 0.00 H ATOM 310 HD3 ARG A 20 -4.917 -11.082 3.725 1.00 0.00 H ATOM 311 HE ARG A 20 -4.820 -13.560 5.127 1.00 0.00 H ATOM 312 HH12 ARG A 20 -8.285 -11.422 5.434 1.00 0.00 H ATOM 313 HH11 ARG A 20 -7.167 -11.107 4.058 1.00 0.00 H ATOM 314 HH22 ARG A 20 -7.764 -13.011 6.999 1.00 0.00 H ATOM 315 HH21 ARG A 20 -6.233 -13.950 6.858 1.00 0.00 H ATOM 316 H ARG A 20 -3.709 -10.366 2.068 1.00 0.00 H ATOM 317 N LEU A 21 0.312 -11.426 2.319 1.00 30.03 N ATOM 318 CA LEU A 21 1.311 -11.796 1.322 1.00 12.43 C ATOM 319 C LEU A 21 0.979 -13.145 0.693 1.00 54.31 C ATOM 320 O LEU A 21 1.308 -13.398 -0.466 1.00 24.22 O ATOM 321 CB LEU A 21 2.701 -11.845 1.959 1.00 60.25 C ATOM 322 CG LEU A 21 3.310 -10.498 2.348 1.00 55.52 C ATOM 323 CD1 LEU A 21 4.663 -10.695 3.012 1.00 43.01 C ATOM 324 CD2 LEU A 21 3.438 -9.598 1.127 1.00 23.01 C ATOM 325 HA LEU A 21 1.304 -11.039 0.538 1.00 0.00 H ATOM 326 HB2 LEU A 21 2.633 -12.453 2.861 1.00 0.00 H ATOM 327 HB3 LEU A 21 3.376 -12.324 1.250 1.00 0.00 H ATOM 328 HG LEU A 21 2.645 -10.014 3.063 1.00 0.00 H ATOM 329 HD21 LEU A 21 4.081 -10.078 0.389 1.00 0.00 H ATOM 330 HD22 LEU A 21 2.451 -9.430 0.696 1.00 0.00 H ATOM 331 HD23 LEU A 21 3.873 -8.644 1.424 1.00 0.00 H ATOM 332 HD11 LEU A 21 4.541 -11.301 3.910 1.00 0.00 H ATOM 333 HD12 LEU A 21 5.336 -11.201 2.320 1.00 0.00 H ATOM 334 HD13 LEU A 21 5.079 -9.724 3.281 1.00 0.00 H ATOM 335 H LEU A 21 0.612 -11.262 3.301 1.00 0.00 H ATOM 336 N ARG A 22 0.322 -14.006 1.464 1.00 43.14 N ATOM 337 CA ARG A 22 -0.056 -15.329 0.981 1.00 4.31 C ATOM 338 C ARG A 22 -1.490 -15.663 1.379 1.00 72.12 C ATOM 339 O ARG A 22 -2.039 -15.116 2.336 1.00 64.30 O ATOM 340 CB ARG A 22 0.899 -16.389 1.534 1.00 13.45 C ATOM 341 CG ARG A 22 1.824 -16.983 0.485 1.00 75.01 C ATOM 342 CD ARG A 22 2.110 -18.450 0.762 1.00 63.50 C ATOM 343 NE ARG A 22 2.990 -19.036 -0.246 1.00 3.01 N ATOM 344 CZ ARG A 22 3.428 -20.289 -0.200 1.00 61.35 C ATOM 345 NH1 ARG A 22 3.069 -21.085 0.798 1.00 40.43 N ATOM 346 NH2 ARG A 22 4.226 -20.749 -1.155 1.00 64.53 N ATOM 347 HA ARG A 22 0.009 -15.324 -0.107 1.00 0.00 H ATOM 348 HB2 ARG A 22 1.510 -15.931 2.312 1.00 0.00 H ATOM 349 HB3 ARG A 22 0.306 -17.195 1.967 1.00 0.00 H ATOM 350 HG2 ARG A 22 1.354 -16.892 -0.494 1.00 0.00 H ATOM 351 HG3 ARG A 22 2.764 -16.432 0.488 1.00 0.00 H ATOM 352 HD2 ARG A 22 1.168 -18.998 0.768 1.00 0.00 H ATOM 353 HD3 ARG A 22 2.586 -18.538 1.739 1.00 0.00 H ATOM 354 HE ARG A 22 3.290 -18.439 -1.043 1.00 0.00 H ATOM 355 HH12 ARG A 22 3.414 -22.066 0.831 1.00 0.00 H ATOM 356 HH11 ARG A 22 2.443 -20.729 1.548 1.00 0.00 H ATOM 357 HH22 ARG A 22 4.569 -21.730 -1.118 1.00 0.00 H ATOM 358 HH21 ARG A 22 4.509 -20.128 -1.940 1.00 0.00 H ATOM 359 H ARG A 22 0.072 -13.729 2.435 1.00 0.00 H ATOM 360 N PRO A 23 -2.114 -16.582 0.627 1.00 20.42 N ATOM 361 CA PRO A 23 -3.493 -17.010 0.882 1.00 23.42 C ATOM 362 C PRO A 23 -3.618 -17.829 2.162 1.00 31.43 C ATOM 363 O PRO A 23 -4.636 -17.771 2.851 1.00 3.42 O ATOM 364 CB PRO A 23 -3.828 -17.871 -0.338 1.00 73.14 C ATOM 365 CG PRO A 23 -2.511 -18.368 -0.825 1.00 40.25 C ATOM 366 CD PRO A 23 -1.521 -17.275 -0.529 1.00 31.30 C ATOM 367 HA PRO A 23 -4.164 -16.162 1.020 1.00 0.00 H ATOM 368 HD3 PRO A 23 -0.545 -17.690 -0.277 1.00 0.00 H ATOM 369 HD2 PRO A 23 -1.419 -16.600 -1.379 1.00 0.00 H ATOM 370 HG3 PRO A 23 -2.552 -18.563 -1.897 1.00 0.00 H ATOM 371 HG2 PRO A 23 -2.234 -19.283 -0.301 1.00 0.00 H ATOM 372 HB2 PRO A 23 -4.473 -18.703 -0.056 1.00 0.00 H ATOM 373 HB3 PRO A 23 -4.322 -17.275 -1.105 1.00 0.00 H ATOM 374 N GLY A 24 -2.576 -18.593 2.475 1.00 22.44 N ATOM 375 CA GLY A 24 -2.590 -19.413 3.673 1.00 71.23 C ATOM 376 C GLY A 24 -1.599 -18.935 4.715 1.00 42.31 C ATOM 377 O GLY A 24 -1.271 -19.663 5.651 1.00 55.20 O ATOM 378 HA3 GLY A 24 -2.342 -20.438 3.398 1.00 0.00 H ATOM 379 HA2 GLY A 24 -3.591 -19.386 4.104 1.00 0.00 H ATOM 380 H GLY A 24 -1.741 -18.603 1.855 1.00 0.00 H ATOM 381 N GLY A 25 -1.118 -17.706 4.552 1.00 44.12 N ATOM 382 CA GLY A 25 -0.161 -17.153 5.493 1.00 50.14 C ATOM 383 C GLY A 25 -0.804 -16.199 6.480 1.00 42.34 C ATOM 384 O GLY A 25 -2.026 -16.053 6.508 1.00 0.21 O ATOM 385 HA3 GLY A 25 0.607 -16.616 4.936 1.00 0.00 H ATOM 386 HA2 GLY A 25 0.299 -17.972 6.046 1.00 0.00 H ATOM 387 H GLY A 25 -1.431 -17.135 3.741 1.00 0.00 H ATOM 388 N LYS A 26 0.021 -15.548 7.293 1.00 14.41 N ATOM 389 CA LYS A 26 -0.473 -14.602 8.287 1.00 33.33 C ATOM 390 C LYS A 26 0.253 -13.266 8.175 1.00 11.41 C ATOM 391 O LYS A 26 0.075 -12.378 9.010 1.00 21.51 O ATOM 392 CB LYS A 26 -0.297 -15.174 9.696 1.00 12.31 C ATOM 393 CG LYS A 26 -0.852 -16.579 9.856 1.00 5.32 C ATOM 394 CD LYS A 26 -0.601 -17.121 11.253 1.00 23.32 C ATOM 395 CE LYS A 26 -1.693 -16.693 12.222 1.00 64.23 C ATOM 396 NZ LYS A 26 -1.182 -16.574 13.616 1.00 52.15 N ATOM 397 HA LYS A 26 -1.534 -14.435 8.098 1.00 0.00 H ATOM 398 HB2 LYS A 26 0.768 -15.195 9.929 1.00 0.00 H ATOM 399 HB3 LYS A 26 -0.809 -14.519 10.401 1.00 0.00 H ATOM 400 HG2 LYS A 26 -1.926 -16.559 9.671 1.00 0.00 H ATOM 401 HG3 LYS A 26 -0.372 -17.235 9.130 1.00 0.00 H ATOM 402 HD2 LYS A 26 -0.571 -18.210 11.211 1.00 0.00 H ATOM 403 HD3 LYS A 26 0.358 -16.746 11.612 1.00 0.00 H ATOM 404 HE2 LYS A 26 -2.493 -17.433 12.201 1.00 0.00 H ATOM 405 HE3 LYS A 26 -2.086 -15.726 11.906 1.00 0.00 H ATOM 406 HZ1 LYS A 26 -0.811 -17.494 13.928 1.00 0.00 H ATOM 407 HZ2 LYS A 26 -0.422 -15.864 13.646 1.00 0.00 H ATOM 408 HZ3 LYS A 26 -1.957 -16.280 14.244 1.00 0.00 H ATOM 409 H LYS A 26 1.044 -15.717 7.219 1.00 0.00 H ATOM 410 N LYS A 27 1.071 -13.127 7.137 1.00 32.11 N ATOM 411 CA LYS A 27 1.822 -11.898 6.913 1.00 2.22 C ATOM 412 C LYS A 27 1.004 -10.901 6.098 1.00 2.03 C ATOM 413 O LYS A 27 0.444 -11.246 5.058 1.00 53.54 O ATOM 414 CB LYS A 27 3.137 -12.204 6.193 1.00 4.31 C ATOM 415 CG LYS A 27 4.113 -13.016 7.027 1.00 32.02 C ATOM 416 CD LYS A 27 5.510 -12.993 6.431 1.00 62.22 C ATOM 417 CE LYS A 27 5.975 -14.390 6.047 1.00 42.41 C ATOM 418 NZ LYS A 27 7.454 -14.529 6.148 1.00 23.25 N ATOM 419 HA LYS A 27 2.041 -11.454 7.884 1.00 0.00 H ATOM 420 HB2 LYS A 27 2.911 -12.763 5.285 1.00 0.00 H ATOM 421 HB3 LYS A 27 3.613 -11.260 5.928 1.00 0.00 H ATOM 422 HG2 LYS A 27 4.150 -12.600 8.034 1.00 0.00 H ATOM 423 HG3 LYS A 27 3.765 -14.048 7.075 1.00 0.00 H ATOM 424 HD2 LYS A 27 5.506 -12.364 5.541 1.00 0.00 H ATOM 425 HD3 LYS A 27 6.202 -12.578 7.164 1.00 0.00 H ATOM 426 HE2 LYS A 27 5.671 -14.593 5.020 1.00 0.00 H ATOM 427 HE3 LYS A 27 5.506 -15.114 6.714 1.00 0.00 H ATOM 428 HZ1 LYS A 27 7.910 -13.846 5.510 1.00 0.00 H ATOM 429 HZ2 LYS A 27 7.752 -14.343 7.127 1.00 0.00 H ATOM 430 HZ3 LYS A 27 7.729 -15.495 5.878 1.00 0.00 H ATOM 431 H LYS A 27 1.178 -13.915 6.467 1.00 0.00 H ATOM 432 N LYS A 28 0.941 -9.663 6.577 1.00 32.22 N ATOM 433 CA LYS A 28 0.194 -8.615 5.892 1.00 1.34 C ATOM 434 C LYS A 28 1.135 -7.552 5.335 1.00 44.22 C ATOM 435 O LYS A 28 2.200 -7.296 5.897 1.00 44.51 O ATOM 436 CB LYS A 28 -0.812 -7.969 6.848 1.00 20.32 C ATOM 437 CG LYS A 28 -1.591 -8.973 7.680 1.00 71.30 C ATOM 438 CD LYS A 28 -3.088 -8.725 7.597 1.00 43.44 C ATOM 439 CE LYS A 28 -3.879 -9.999 7.848 1.00 53.15 C ATOM 440 NZ LYS A 28 -4.404 -10.061 9.240 1.00 41.11 N ATOM 441 HA LYS A 28 -0.344 -9.071 5.061 1.00 0.00 H ATOM 442 HB2 LYS A 28 -0.270 -7.308 7.524 1.00 0.00 H ATOM 443 HB3 LYS A 28 -1.520 -7.385 6.260 1.00 0.00 H ATOM 444 HG2 LYS A 28 -1.378 -9.977 7.314 1.00 0.00 H ATOM 445 HG3 LYS A 28 -1.276 -8.892 8.720 1.00 0.00 H ATOM 446 HD2 LYS A 28 -3.366 -7.982 8.344 1.00 0.00 H ATOM 447 HD3 LYS A 28 -3.330 -8.347 6.604 1.00 0.00 H ATOM 448 HE2 LYS A 28 -3.229 -10.857 7.678 1.00 0.00 H ATOM 449 HE3 LYS A 28 -4.718 -10.036 7.153 1.00 0.00 H ATOM 450 HZ1 LYS A 28 -3.609 -10.033 9.910 1.00 0.00 H ATOM 451 HZ2 LYS A 28 -5.031 -9.249 9.409 1.00 0.00 H ATOM 452 HZ3 LYS A 28 -4.937 -10.945 9.369 1.00 0.00 H ATOM 453 H LYS A 28 1.437 -9.436 7.463 1.00 0.00 H ATOM 454 N TYR A 29 0.735 -6.936 4.228 1.00 3.21 N ATOM 455 CA TYR A 29 1.544 -5.901 3.594 1.00 31.23 C ATOM 456 C TYR A 29 1.784 -4.736 4.549 1.00 12.13 C ATOM 457 O TYR A 29 0.898 -4.353 5.314 1.00 22.21 O ATOM 458 CB TYR A 29 0.861 -5.399 2.321 1.00 71.30 C ATOM 459 CG TYR A 29 1.182 -6.225 1.096 1.00 72.31 C ATOM 460 CD1 TYR A 29 2.460 -6.227 0.551 1.00 71.34 C ATOM 461 CD2 TYR A 29 0.207 -7.003 0.483 1.00 41.20 C ATOM 462 CE1 TYR A 29 2.758 -6.980 -0.569 1.00 53.20 C ATOM 463 CE2 TYR A 29 0.496 -7.760 -0.636 1.00 2.40 C ATOM 464 CZ TYR A 29 1.773 -7.745 -1.158 1.00 53.43 C ATOM 465 OH TYR A 29 2.064 -8.496 -2.274 1.00 3.13 O ATOM 466 HA TYR A 29 2.508 -6.338 3.333 1.00 0.00 H ATOM 467 HB3 TYR A 29 1.182 -4.373 2.139 1.00 0.00 H ATOM 468 HB2 TYR A 29 -0.218 -5.419 2.477 1.00 0.00 H ATOM 469 HD2 TYR A 29 -0.803 -7.016 0.892 1.00 0.00 H ATOM 470 HE2 TYR A 29 -0.280 -8.366 -1.104 1.00 0.00 H ATOM 471 HE1 TYR A 29 3.766 -6.969 -0.984 1.00 0.00 H ATOM 472 HD1 TYR A 29 3.241 -5.624 1.015 1.00 0.00 H ATOM 473 HH TYR A 29 1.893 -9.452 -2.081 1.00 0.00 H ATOM 474 H TYR A 29 -0.177 -7.198 3.803 1.00 0.00 H ATOM 475 N ARG A 30 2.988 -4.176 4.498 1.00 11.21 N ATOM 476 CA ARG A 30 3.346 -3.054 5.358 1.00 21.42 C ATOM 477 C ARG A 30 4.383 -2.161 4.683 1.00 15.11 C ATOM 478 O ARG A 30 4.957 -2.524 3.656 1.00 73.42 O ATOM 479 CB ARG A 30 3.889 -3.563 6.695 1.00 14.43 C ATOM 480 CG ARG A 30 3.277 -2.871 7.903 1.00 62.31 C ATOM 481 CD ARG A 30 2.992 -3.858 9.024 1.00 10.14 C ATOM 482 NE ARG A 30 4.218 -4.419 9.585 1.00 4.31 N ATOM 483 CZ ARG A 30 5.013 -3.759 10.420 1.00 24.11 C ATOM 484 NH1 ARG A 30 4.712 -2.522 10.790 1.00 41.15 N ATOM 485 NH2 ARG A 30 6.112 -4.337 10.888 1.00 64.22 N ATOM 486 HA ARG A 30 2.447 -2.465 5.538 1.00 0.00 H ATOM 487 HB2 ARG A 30 3.682 -4.631 6.767 1.00 0.00 H ATOM 488 HB3 ARG A 30 4.967 -3.401 6.714 1.00 0.00 H ATOM 489 HG2 ARG A 30 3.970 -2.112 8.266 1.00 0.00 H ATOM 490 HG3 ARG A 30 2.343 -2.395 7.604 1.00 0.00 H ATOM 491 HD2 ARG A 30 2.381 -4.670 8.631 1.00 0.00 H ATOM 492 HD3 ARG A 30 2.446 -3.344 9.815 1.00 0.00 H ATOM 493 HE ARG A 30 4.483 -5.388 9.316 1.00 0.00 H ATOM 494 HH12 ARG A 30 5.337 -2.008 11.444 1.00 0.00 H ATOM 495 HH11 ARG A 30 3.851 -2.065 10.426 1.00 0.00 H ATOM 496 HH22 ARG A 30 6.734 -3.819 11.542 1.00 0.00 H ATOM 497 HH21 ARG A 30 6.352 -5.308 10.601 1.00 0.00 H ATOM 498 H ARG A 30 3.692 -4.547 3.828 1.00 0.00 H ATOM 499 N LEU A 31 4.617 -0.991 5.267 1.00 52.45 N ATOM 500 CA LEU A 31 5.584 -0.044 4.722 1.00 71.14 C ATOM 501 C LEU A 31 6.909 -0.735 4.415 1.00 12.13 C ATOM 502 O LEU A 31 7.611 -0.366 3.473 1.00 35.41 O ATOM 503 CB LEU A 31 5.811 1.106 5.704 1.00 15.22 C ATOM 504 CG LEU A 31 5.633 2.516 5.139 1.00 2.15 C ATOM 505 CD1 LEU A 31 4.169 2.927 5.179 1.00 63.54 C ATOM 506 CD2 LEU A 31 6.489 3.511 5.910 1.00 33.13 C ATOM 507 HA LEU A 31 5.180 0.356 3.792 1.00 0.00 H ATOM 508 HB2 LEU A 31 5.107 0.985 6.528 1.00 0.00 H ATOM 509 HB3 LEU A 31 6.830 1.025 6.083 1.00 0.00 H ATOM 510 HG LEU A 31 5.960 2.514 4.099 1.00 0.00 H ATOM 511 HD21 LEU A 31 6.191 3.509 6.959 1.00 0.00 H ATOM 512 HD22 LEU A 31 7.538 3.226 5.828 1.00 0.00 H ATOM 513 HD23 LEU A 31 6.349 4.508 5.493 1.00 0.00 H ATOM 514 HD11 LEU A 31 3.581 2.230 4.582 1.00 0.00 H ATOM 515 HD12 LEU A 31 3.817 2.912 6.210 1.00 0.00 H ATOM 516 HD13 LEU A 31 4.064 3.933 4.773 1.00 0.00 H ATOM 517 H LEU A 31 4.098 -0.744 6.134 1.00 0.00 H ATOM 518 N LYS A 32 7.245 -1.740 5.216 1.00 31.42 N ATOM 519 CA LYS A 32 8.484 -2.486 5.030 1.00 73.52 C ATOM 520 C LYS A 32 8.585 -3.026 3.607 1.00 43.44 C ATOM 521 O LYS A 32 9.626 -2.905 2.959 1.00 12.11 O ATOM 522 CB LYS A 32 8.563 -3.641 6.031 1.00 61.31 C ATOM 523 CG LYS A 32 9.730 -3.530 6.997 1.00 41.14 C ATOM 524 CD LYS A 32 11.061 -3.523 6.264 1.00 24.32 C ATOM 525 CE LYS A 32 12.224 -3.744 7.220 1.00 43.54 C ATOM 526 NZ LYS A 32 12.792 -2.456 7.708 1.00 63.51 N ATOM 527 HA LYS A 32 9.318 -1.806 5.202 1.00 0.00 H ATOM 528 HB2 LYS A 32 7.638 -3.661 6.608 1.00 0.00 H ATOM 529 HB3 LYS A 32 8.663 -4.573 5.475 1.00 0.00 H ATOM 530 HG2 LYS A 32 9.633 -2.605 7.565 1.00 0.00 H ATOM 531 HG3 LYS A 32 9.706 -4.379 7.681 1.00 0.00 H ATOM 532 HD2 LYS A 32 11.059 -4.318 5.518 1.00 0.00 H ATOM 533 HD3 LYS A 32 11.188 -2.561 5.768 1.00 0.00 H ATOM 534 HE2 LYS A 32 13.005 -4.301 6.703 1.00 0.00 H ATOM 535 HE3 LYS A 32 11.873 -4.322 8.075 1.00 0.00 H ATOM 536 HZ1 LYS A 32 13.135 -1.901 6.898 1.00 0.00 H ATOM 537 HZ2 LYS A 32 12.054 -1.921 8.209 1.00 0.00 H ATOM 538 HZ3 LYS A 32 13.582 -2.650 8.356 1.00 0.00 H ATOM 539 H LYS A 32 6.608 -2.001 5.996 1.00 0.00 H ATOM 540 N HIS A 33 7.498 -3.620 3.124 1.00 2.54 N ATOM 541 CA HIS A 33 7.464 -4.176 1.776 1.00 41.31 C ATOM 542 C HIS A 33 7.550 -3.068 0.730 1.00 14.52 C ATOM 543 O HIS A 33 8.162 -3.317 -0.309 1.00 15.11 O ATOM 544 CB HIS A 33 6.187 -4.990 1.569 1.00 73.11 C ATOM 545 CG HIS A 33 5.993 -6.069 2.590 1.00 71.45 C ATOM 546 ND1 HIS A 33 4.990 -6.040 3.535 1.00 73.11 N ATOM 547 CD2 HIS A 33 6.681 -7.214 2.809 1.00 74.42 C ATOM 548 CE1 HIS A 33 5.070 -7.120 4.292 1.00 55.13 C ATOM 549 NE2 HIS A 33 6.087 -7.849 3.871 1.00 22.41 N ATOM 550 HA HIS A 33 8.327 -4.832 1.658 1.00 0.00 H ATOM 551 HB2 HIS A 33 5.334 -4.313 1.616 1.00 0.00 H ATOM 552 HB3 HIS A 33 6.228 -5.452 0.582 1.00 0.00 H ATOM 553 HD2 HIS A 33 7.546 -7.566 2.247 1.00 0.00 H ATOM 554 HE1 HIS A 33 4.409 -7.367 5.123 1.00 0.00 H ATOM 555 H HIS A 33 6.650 -3.690 3.723 1.00 0.00 H ATOM 556 N ILE A 34 6.974 -1.894 0.967 1.00 13.24 N ATOM 557 CA ILE A 34 7.030 -0.806 -0.001 1.00 61.13 C ATOM 558 C ILE A 34 8.462 -0.320 -0.200 1.00 31.51 C ATOM 559 O ILE A 34 8.862 0.029 -1.310 1.00 41.24 O ATOM 560 CB ILE A 34 6.153 0.382 0.435 1.00 53.13 C ATOM 561 CG1 ILE A 34 4.765 -0.107 0.855 1.00 63.30 C ATOM 562 CG2 ILE A 34 6.043 1.400 -0.690 1.00 52.34 C ATOM 563 CD1 ILE A 34 3.814 1.011 1.218 1.00 42.51 C ATOM 564 HA ILE A 34 6.649 -1.202 -0.942 1.00 0.00 H ATOM 565 HB ILE A 34 6.622 0.865 1.292 1.00 0.00 H ATOM 566 HG12 ILE A 34 4.334 -0.672 0.029 1.00 0.00 H ATOM 567 HG13 ILE A 34 4.877 -0.760 1.721 1.00 0.00 H ATOM 568 HD11 ILE A 34 4.226 1.580 2.052 1.00 0.00 H ATOM 569 HD12 ILE A 34 3.682 1.668 0.358 1.00 0.00 H ATOM 570 HD13 ILE A 34 2.851 0.588 1.505 1.00 0.00 H ATOM 571 HG21 ILE A 34 7.037 1.766 -0.945 1.00 0.00 H ATOM 572 HG22 ILE A 34 5.593 0.927 -1.563 1.00 0.00 H ATOM 573 HG23 ILE A 34 5.420 2.233 -0.365 1.00 0.00 H ATOM 574 H ILE A 34 6.471 -1.748 1.865 1.00 0.00 H ATOM 575 N VAL A 35 9.231 -0.303 0.884 1.00 31.13 N ATOM 576 CA VAL A 35 10.620 0.137 0.829 1.00 31.45 C ATOM 577 C VAL A 35 11.473 -0.836 0.023 1.00 72.11 C ATOM 578 O VAL A 35 12.326 -0.425 -0.763 1.00 4.52 O ATOM 579 CB VAL A 35 11.220 0.279 2.241 1.00 55.50 C ATOM 580 CG1 VAL A 35 12.677 0.706 2.161 1.00 24.13 C ATOM 581 CG2 VAL A 35 10.410 1.269 3.066 1.00 43.15 C ATOM 582 HA VAL A 35 10.624 1.111 0.340 1.00 0.00 H ATOM 583 HB VAL A 35 11.178 -0.692 2.735 1.00 0.00 H ATOM 584 HG11 VAL A 35 13.244 -0.043 1.609 1.00 0.00 H ATOM 585 HG12 VAL A 35 12.745 1.666 1.649 1.00 0.00 H ATOM 586 HG13 VAL A 35 13.082 0.801 3.168 1.00 0.00 H ATOM 587 HG21 VAL A 35 10.421 2.243 2.576 1.00 0.00 H ATOM 588 HG22 VAL A 35 9.383 0.915 3.151 1.00 0.00 H ATOM 589 HG23 VAL A 35 10.849 1.356 4.060 1.00 0.00 H ATOM 590 H VAL A 35 8.832 -0.611 1.794 1.00 0.00 H ATOM 591 N TRP A 36 11.236 -2.127 0.222 1.00 33.43 N ATOM 592 CA TRP A 36 11.982 -3.160 -0.487 1.00 44.04 C ATOM 593 C TRP A 36 11.649 -3.147 -1.975 1.00 70.51 C ATOM 594 O TRP A 36 12.473 -3.523 -2.808 1.00 40.03 O ATOM 595 CB TRP A 36 11.677 -4.537 0.105 1.00 45.13 C ATOM 596 CG TRP A 36 12.386 -5.656 -0.598 1.00 13.44 C ATOM 597 CD1 TRP A 36 13.522 -6.292 -0.187 1.00 43.21 C ATOM 598 CD2 TRP A 36 12.005 -6.268 -1.834 1.00 70.24 C ATOM 599 NE1 TRP A 36 13.871 -7.263 -1.094 1.00 61.13 N ATOM 600 CE2 TRP A 36 12.956 -7.269 -2.113 1.00 71.44 C ATOM 601 CE3 TRP A 36 10.953 -6.070 -2.732 1.00 75.11 C ATOM 602 CZ2 TRP A 36 12.884 -8.067 -3.252 1.00 42.25 C ATOM 603 CZ3 TRP A 36 10.883 -6.862 -3.862 1.00 60.32 C ATOM 604 CH2 TRP A 36 11.843 -7.851 -4.114 1.00 63.12 C ATOM 605 HA TRP A 36 13.045 -2.950 -0.370 1.00 0.00 H ATOM 606 HB2 TRP A 36 11.980 -4.539 1.152 1.00 0.00 H ATOM 607 HB3 TRP A 36 10.603 -4.712 0.039 1.00 0.00 H ATOM 608 HE1 TRP A 36 14.696 -7.892 -1.019 1.00 0.00 H ATOM 609 HD1 TRP A 36 14.071 -6.063 0.726 1.00 0.00 H ATOM 610 HZ2 TRP A 36 13.630 -8.836 -3.450 1.00 0.00 H ATOM 611 HH2 TRP A 36 11.759 -8.460 -5.014 1.00 0.00 H ATOM 612 HZ3 TRP A 36 10.067 -6.715 -4.570 1.00 0.00 H ATOM 613 HE3 TRP A 36 10.201 -5.304 -2.544 1.00 0.00 H ATOM 614 H TRP A 36 10.500 -2.409 0.901 1.00 0.00 H ATOM 615 N ALA A 37 10.436 -2.713 -2.302 1.00 21.23 N ATOM 616 CA ALA A 37 9.995 -2.650 -3.690 1.00 24.03 C ATOM 617 C ALA A 37 10.518 -1.392 -4.375 1.00 22.01 C ATOM 618 O ALA A 37 11.185 -1.467 -5.406 1.00 63.33 O ATOM 619 CB ALA A 37 8.477 -2.701 -3.764 1.00 74.51 C ATOM 620 HA ALA A 37 10.402 -3.514 -4.215 1.00 0.00 H ATOM 621 HB1 ALA A 37 8.124 -3.632 -3.320 1.00 0.00 H ATOM 622 HB2 ALA A 37 8.059 -1.855 -3.218 1.00 0.00 H ATOM 623 HB3 ALA A 37 8.164 -2.653 -4.807 1.00 0.00 H ATOM 624 H ALA A 37 9.785 -2.411 -1.549 1.00 0.00 H ATOM 625 N ALA A 38 10.210 -0.237 -3.795 1.00 41.51 N ATOM 626 CA ALA A 38 10.650 1.038 -4.350 1.00 22.44 C ATOM 627 C ALA A 38 12.168 1.082 -4.486 1.00 24.03 C ATOM 628 O ALA A 38 12.700 1.680 -5.420 1.00 52.21 O ATOM 629 CB ALA A 38 10.162 2.188 -3.481 1.00 64.22 C ATOM 630 HA ALA A 38 10.219 1.141 -5.346 1.00 0.00 H ATOM 631 HB1 ALA A 38 9.073 2.174 -3.440 1.00 0.00 H ATOM 632 HB2 ALA A 38 10.566 2.078 -2.475 1.00 0.00 H ATOM 633 HB3 ALA A 38 10.498 3.133 -3.908 1.00 0.00 H ATOM 634 H ALA A 38 9.641 -0.242 -2.924 1.00 0.00 H ATOM 635 N ASN A 39 12.861 0.445 -3.547 1.00 10.32 N ATOM 636 CA ASN A 39 14.319 0.414 -3.562 1.00 30.41 C ATOM 637 C ASN A 39 14.833 -0.406 -4.742 1.00 1.15 C ATOM 638 O ASN A 39 15.913 -0.143 -5.271 1.00 40.12 O ATOM 639 CB ASN A 39 14.851 -0.169 -2.251 1.00 73.50 C ATOM 640 CG ASN A 39 16.365 -0.253 -2.227 1.00 53.43 C ATOM 641 OD1 ASN A 39 17.043 0.689 -1.817 1.00 12.34 O ATOM 642 ND2 ASN A 39 16.902 -1.384 -2.669 1.00 50.33 N ATOM 643 HA ASN A 39 14.679 1.437 -3.669 1.00 0.00 H ATOM 644 HB2 ASN A 39 14.522 0.464 -1.427 1.00 0.00 H ATOM 645 HB3 ASN A 39 14.443 -1.171 -2.122 1.00 0.00 H ATOM 646 HD22 ASN A 39 16.289 -2.154 -3.006 1.00 0.00 H ATOM 647 HD21 ASN A 39 17.935 -1.500 -2.678 1.00 0.00 H ATOM 648 H ASN A 39 12.351 -0.043 -2.783 1.00 0.00 H ATOM 649 N LYS A 40 14.052 -1.401 -5.149 1.00 50.50 N ATOM 650 CA LYS A 40 14.426 -2.259 -6.267 1.00 55.42 C ATOM 651 C LYS A 40 14.318 -1.506 -7.590 1.00 24.32 C ATOM 652 O LYS A 40 15.181 -1.634 -8.460 1.00 74.11 O ATOM 653 CB LYS A 40 13.535 -3.502 -6.302 1.00 74.41 C ATOM 654 CG LYS A 40 13.918 -4.554 -5.275 1.00 53.03 C ATOM 655 CD LYS A 40 14.730 -5.675 -5.902 1.00 3.14 C ATOM 656 CE LYS A 40 15.688 -6.297 -4.897 1.00 70.42 C ATOM 657 NZ LYS A 40 16.667 -7.207 -5.554 1.00 51.05 N ATOM 658 HA LYS A 40 15.462 -2.566 -6.127 1.00 0.00 H ATOM 659 HB2 LYS A 40 12.506 -3.194 -6.114 1.00 0.00 H ATOM 660 HB3 LYS A 40 13.604 -3.948 -7.294 1.00 0.00 H ATOM 661 HG2 LYS A 40 14.510 -4.084 -4.490 1.00 0.00 H ATOM 662 HG3 LYS A 40 13.010 -4.974 -4.842 1.00 0.00 H ATOM 663 HD2 LYS A 40 14.050 -6.445 -6.267 1.00 0.00 H ATOM 664 HD3 LYS A 40 15.304 -5.273 -6.737 1.00 0.00 H ATOM 665 HE2 LYS A 40 15.113 -6.866 -4.166 1.00 0.00 H ATOM 666 HE3 LYS A 40 16.232 -5.501 -4.389 1.00 0.00 H ATOM 667 HZ1 LYS A 40 16.156 -7.974 -6.036 1.00 0.00 H ATOM 668 HZ2 LYS A 40 17.225 -6.671 -6.248 1.00 0.00 H ATOM 669 HZ3 LYS A 40 17.301 -7.610 -4.835 1.00 0.00 H ATOM 670 H LYS A 40 13.151 -1.572 -4.658 1.00 0.00 H ATOM 671 N LEU A 41 13.257 -0.721 -7.734 1.00 74.11 N ATOM 672 CA LEU A 41 13.038 0.054 -8.951 1.00 33.34 C ATOM 673 C LEU A 41 14.196 1.014 -9.201 1.00 22.05 C ATOM 674 O LEU A 41 14.779 1.030 -10.285 1.00 4.04 O ATOM 675 CB LEU A 41 11.726 0.834 -8.853 1.00 34.13 C ATOM 676 CG LEU A 41 10.446 -0.004 -8.835 1.00 4.42 C ATOM 677 CD1 LEU A 41 9.245 0.864 -8.494 1.00 0.25 C ATOM 678 CD2 LEU A 41 10.243 -0.696 -10.175 1.00 3.23 C ATOM 679 HA LEU A 41 12.979 -0.641 -9.789 1.00 0.00 H ATOM 680 HB2 LEU A 41 11.754 1.420 -7.934 1.00 0.00 H ATOM 681 HB3 LEU A 41 11.673 1.506 -9.710 1.00 0.00 H ATOM 682 HG LEU A 41 10.546 -0.769 -8.065 1.00 0.00 H ATOM 683 HD21 LEU A 41 10.165 0.054 -10.962 1.00 0.00 H ATOM 684 HD22 LEU A 41 11.092 -1.349 -10.377 1.00 0.00 H ATOM 685 HD23 LEU A 41 9.328 -1.287 -10.142 1.00 0.00 H ATOM 686 HD11 LEU A 41 9.389 1.312 -7.511 1.00 0.00 H ATOM 687 HD12 LEU A 41 9.143 1.651 -9.241 1.00 0.00 H ATOM 688 HD13 LEU A 41 8.345 0.250 -8.486 1.00 0.00 H ATOM 689 H LEU A 41 12.565 -0.657 -6.960 1.00 0.00 H ATOM 690 N ASP A 42 14.525 1.811 -8.190 1.00 43.22 N ATOM 691 CA ASP A 42 15.617 2.772 -8.299 1.00 14.42 C ATOM 692 C ASP A 42 16.892 2.094 -8.790 1.00 34.33 C ATOM 693 O ASP A 42 17.553 2.582 -9.706 1.00 60.11 O ATOM 694 CB ASP A 42 15.869 3.444 -6.948 1.00 42.33 C ATOM 695 CG ASP A 42 15.662 4.945 -7.001 1.00 5.23 C ATOM 696 OD1 ASP A 42 14.549 5.379 -7.365 1.00 63.13 O ATOM 697 OD2 ASP A 42 16.614 5.686 -6.676 1.00 55.33 O ATOM 698 HA ASP A 42 15.329 3.531 -9.026 1.00 0.00 H ATOM 699 HB2 ASP A 42 15.183 3.022 -6.213 1.00 0.00 H ATOM 700 HB3 ASP A 42 16.896 3.243 -6.643 1.00 0.00 H ATOM 701 H ASP A 42 13.991 1.748 -7.300 1.00 0.00 H ATOM 702 N ARG A 43 17.231 0.966 -8.173 1.00 11.41 N ATOM 703 CA ARG A 43 18.428 0.222 -8.545 1.00 51.25 C ATOM 704 C ARG A 43 18.308 -0.326 -9.964 1.00 54.15 C ATOM 705 O ARG A 43 19.167 -0.080 -10.811 1.00 62.21 O ATOM 706 CB ARG A 43 18.667 -0.925 -7.563 1.00 23.53 C ATOM 707 CG ARG A 43 20.055 -0.917 -6.942 1.00 52.34 C ATOM 708 CD ARG A 43 20.030 -0.355 -5.529 1.00 51.15 C ATOM 709 NE ARG A 43 20.224 1.092 -5.512 1.00 42.45 N ATOM 710 CZ ARG A 43 20.453 1.790 -4.406 1.00 10.24 C ATOM 711 NH1 ARG A 43 20.516 1.176 -3.232 1.00 41.41 N ATOM 712 NH2 ARG A 43 20.620 3.105 -4.471 1.00 54.02 N ATOM 713 HA ARG A 43 19.276 0.905 -8.508 1.00 0.00 H ATOM 714 HB2 ARG A 43 17.931 -0.852 -6.762 1.00 0.00 H ATOM 715 HB3 ARG A 43 18.533 -1.867 -8.094 1.00 0.00 H ATOM 716 HG2 ARG A 43 20.435 -1.938 -6.911 1.00 0.00 H ATOM 717 HG3 ARG A 43 20.715 -0.304 -7.556 1.00 0.00 H ATOM 718 HD2 ARG A 43 20.825 -0.824 -4.949 1.00 0.00 H ATOM 719 HD3 ARG A 43 19.066 -0.586 -5.075 1.00 0.00 H ATOM 720 HE ARG A 43 20.180 1.604 -6.416 1.00 0.00 H ATOM 721 HH12 ARG A 43 20.695 1.725 -2.367 1.00 0.00 H ATOM 722 HH11 ARG A 43 20.386 0.146 -3.176 1.00 0.00 H ATOM 723 HH22 ARG A 43 20.799 3.650 -3.604 1.00 0.00 H ATOM 724 HH21 ARG A 43 20.572 3.591 -5.389 1.00 0.00 H ATOM 725 H ARG A 43 16.627 0.606 -7.406 1.00 0.00 H ATOM 726 N PHE A 44 17.236 -1.070 -10.217 1.00 11.10 N ATOM 727 CA PHE A 44 17.004 -1.654 -11.533 1.00 34.33 C ATOM 728 C PHE A 44 17.114 -0.595 -12.625 1.00 72.04 C ATOM 729 O PHE A 44 17.765 -0.807 -13.648 1.00 35.33 O ATOM 730 CB PHE A 44 15.625 -2.315 -11.584 1.00 75.14 C ATOM 731 CG PHE A 44 15.597 -3.693 -10.987 1.00 1.22 C ATOM 732 CD1 PHE A 44 16.505 -4.657 -11.394 1.00 21.01 C ATOM 733 CD2 PHE A 44 14.664 -4.023 -10.018 1.00 32.54 C ATOM 734 CE1 PHE A 44 16.481 -5.926 -10.846 1.00 44.31 C ATOM 735 CE2 PHE A 44 14.636 -5.291 -9.466 1.00 14.52 C ATOM 736 CZ PHE A 44 15.546 -6.242 -9.880 1.00 64.50 C ATOM 737 HA PHE A 44 17.769 -2.411 -11.708 1.00 0.00 H ATOM 738 HB2 PHE A 44 14.921 -1.688 -11.037 1.00 0.00 H ATOM 739 HB3 PHE A 44 15.314 -2.384 -12.626 1.00 0.00 H ATOM 740 HD2 PHE A 44 13.944 -3.275 -9.687 1.00 0.00 H ATOM 741 HE2 PHE A 44 13.896 -5.539 -8.705 1.00 0.00 H ATOM 742 HZ PHE A 44 15.527 -7.241 -9.445 1.00 0.00 H ATOM 743 HE1 PHE A 44 17.199 -6.676 -11.176 1.00 0.00 H ATOM 744 HD1 PHE A 44 17.246 -4.412 -12.155 1.00 0.00 H ATOM 745 H PHE A 44 16.546 -1.240 -9.458 1.00 0.00 H ATOM 746 N GLY A 45 16.471 0.547 -12.401 1.00 44.41 N ATOM 747 CA GLY A 45 16.509 1.623 -13.375 1.00 34.13 C ATOM 748 C GLY A 45 15.191 2.367 -13.467 1.00 62.02 C ATOM 749 O GLY A 45 15.105 3.415 -14.109 1.00 21.11 O ATOM 750 HA3 GLY A 45 16.743 1.202 -14.353 1.00 0.00 H ATOM 751 HA2 GLY A 45 17.290 2.328 -13.088 1.00 0.00 H ATOM 752 H GLY A 45 15.935 0.671 -11.518 1.00 0.00 H ATOM 753 N LEU A 46 14.161 1.825 -12.827 1.00 24.03 N ATOM 754 CA LEU A 46 12.840 2.444 -12.841 1.00 23.44 C ATOM 755 C LEU A 46 12.728 3.511 -11.757 1.00 54.41 C ATOM 756 O LEU A 46 13.504 3.525 -10.802 1.00 51.24 O ATOM 757 CB LEU A 46 11.756 1.383 -12.642 1.00 25.43 C ATOM 758 CG LEU A 46 11.293 0.652 -13.902 1.00 51.25 C ATOM 759 CD1 LEU A 46 11.266 -0.850 -13.669 1.00 62.44 C ATOM 760 CD2 LEU A 46 9.922 1.151 -14.334 1.00 53.22 C ATOM 761 HA LEU A 46 12.699 2.921 -13.811 1.00 0.00 H ATOM 762 HB2 LEU A 46 12.142 0.638 -11.947 1.00 0.00 H ATOM 763 HB3 LEU A 46 10.887 1.872 -12.202 1.00 0.00 H ATOM 764 HG LEU A 46 12.003 0.862 -14.702 1.00 0.00 H ATOM 765 HD21 LEU A 46 9.203 0.971 -13.535 1.00 0.00 H ATOM 766 HD22 LEU A 46 9.975 2.219 -14.543 1.00 0.00 H ATOM 767 HD23 LEU A 46 9.610 0.619 -15.232 1.00 0.00 H ATOM 768 HD11 LEU A 46 12.267 -1.194 -13.408 1.00 0.00 H ATOM 769 HD12 LEU A 46 10.578 -1.078 -12.855 1.00 0.00 H ATOM 770 HD13 LEU A 46 10.934 -1.351 -14.578 1.00 0.00 H ATOM 771 H LEU A 46 14.300 0.937 -12.303 1.00 0.00 H ATOM 772 N ALA A 47 11.754 4.403 -11.911 1.00 44.13 N ATOM 773 CA ALA A 47 11.537 5.472 -10.944 1.00 62.22 C ATOM 774 C ALA A 47 10.708 4.982 -9.762 1.00 55.31 C ATOM 775 O ALA A 47 10.179 3.871 -9.781 1.00 41.25 O ATOM 776 CB ALA A 47 10.859 6.658 -11.612 1.00 54.44 C ATOM 777 HA ALA A 47 12.509 5.790 -10.566 1.00 0.00 H ATOM 778 HB1 ALA A 47 11.491 7.030 -12.418 1.00 0.00 H ATOM 779 HB2 ALA A 47 9.897 6.344 -12.018 1.00 0.00 H ATOM 780 HB3 ALA A 47 10.704 7.448 -10.877 1.00 0.00 H ATOM 781 H ALA A 47 11.132 4.336 -12.742 1.00 0.00 H ATOM 782 N GLU A 48 10.598 5.819 -8.735 1.00 25.34 N ATOM 783 CA GLU A 48 9.834 5.469 -7.543 1.00 71.33 C ATOM 784 C GLU A 48 8.441 6.090 -7.589 1.00 11.01 C ATOM 785 O GLU A 48 7.474 5.509 -7.097 1.00 32.31 O ATOM 786 CB GLU A 48 10.570 5.931 -6.284 1.00 14.01 C ATOM 787 CG GLU A 48 10.845 7.425 -6.254 1.00 24.10 C ATOM 788 CD GLU A 48 12.313 7.743 -6.047 1.00 5.11 C ATOM 789 OE1 GLU A 48 13.110 7.507 -6.979 1.00 74.13 O ATOM 790 OE2 GLU A 48 12.666 8.229 -4.952 1.00 13.04 O ATOM 791 HA GLU A 48 9.729 4.384 -7.515 1.00 0.00 H ATOM 792 HB2 GLU A 48 9.963 5.675 -5.416 1.00 0.00 H ATOM 793 HB3 GLU A 48 11.522 5.404 -6.228 1.00 0.00 H ATOM 794 HG2 GLU A 48 10.524 7.859 -7.201 1.00 0.00 H ATOM 795 HG3 GLU A 48 10.273 7.869 -5.440 1.00 0.00 H ATOM 796 H GLU A 48 11.068 6.746 -8.783 1.00 0.00 H ATOM 797 N SER A 49 8.347 7.276 -8.183 1.00 23.44 N ATOM 798 CA SER A 49 7.074 7.979 -8.289 1.00 63.20 C ATOM 799 C SER A 49 6.080 7.179 -9.126 1.00 1.15 C ATOM 800 O SER A 49 4.871 7.406 -9.060 1.00 3.30 O ATOM 801 CB SER A 49 7.282 9.362 -8.908 1.00 0.40 C ATOM 802 OG SER A 49 8.428 9.382 -9.741 1.00 62.51 O ATOM 803 HA SER A 49 6.666 8.095 -7.285 1.00 0.00 H ATOM 804 HB2 SER A 49 7.409 10.094 -8.110 1.00 0.00 H ATOM 805 HB3 SER A 49 6.406 9.622 -9.502 1.00 0.00 H ATOM 806 HG SER A 49 8.538 10.287 -10.127 1.00 0.00 H ATOM 807 H SER A 49 9.202 7.713 -8.582 1.00 0.00 H ATOM 808 N LEU A 50 6.598 6.242 -9.912 1.00 33.22 N ATOM 809 CA LEU A 50 5.757 5.407 -10.762 1.00 71.35 C ATOM 810 C LEU A 50 4.850 4.513 -9.923 1.00 23.44 C ATOM 811 O LEU A 50 3.887 3.936 -10.429 1.00 61.32 O ATOM 812 CB LEU A 50 6.624 4.549 -11.686 1.00 51.21 C ATOM 813 CG LEU A 50 7.506 5.310 -12.676 1.00 5.51 C ATOM 814 CD1 LEU A 50 8.324 4.342 -13.517 1.00 34.12 C ATOM 815 CD2 LEU A 50 6.659 6.208 -13.566 1.00 34.15 C ATOM 816 HA LEU A 50 5.131 6.063 -11.366 1.00 0.00 H ATOM 817 HB2 LEU A 50 7.275 3.938 -11.061 1.00 0.00 H ATOM 818 HB3 LEU A 50 5.961 3.901 -12.259 1.00 0.00 H ATOM 819 HG LEU A 50 8.194 5.938 -12.110 1.00 0.00 H ATOM 820 HD21 LEU A 50 5.947 5.599 -14.122 1.00 0.00 H ATOM 821 HD22 LEU A 50 6.120 6.926 -12.948 1.00 0.00 H ATOM 822 HD23 LEU A 50 7.306 6.741 -14.263 1.00 0.00 H ATOM 823 HD11 LEU A 50 8.959 3.743 -12.865 1.00 0.00 H ATOM 824 HD12 LEU A 50 7.652 3.688 -14.072 1.00 0.00 H ATOM 825 HD13 LEU A 50 8.945 4.904 -14.215 1.00 0.00 H ATOM 826 H LEU A 50 7.628 6.100 -9.922 1.00 0.00 H ATOM 827 N LEU A 51 5.163 4.404 -8.636 1.00 61.31 N ATOM 828 CA LEU A 51 4.375 3.582 -7.724 1.00 64.41 C ATOM 829 C LEU A 51 3.193 4.367 -7.166 1.00 51.33 C ATOM 830 O LEU A 51 2.301 3.800 -6.536 1.00 51.15 O ATOM 831 CB LEU A 51 5.252 3.074 -6.578 1.00 14.15 C ATOM 832 CG LEU A 51 5.953 1.736 -6.811 1.00 25.21 C ATOM 833 CD1 LEU A 51 7.041 1.515 -5.771 1.00 0.10 C ATOM 834 CD2 LEU A 51 4.948 0.594 -6.784 1.00 14.30 C ATOM 835 HA LEU A 51 3.989 2.730 -8.283 1.00 0.00 H ATOM 836 HB2 LEU A 51 6.020 3.824 -6.388 1.00 0.00 H ATOM 837 HB3 LEU A 51 4.621 2.970 -5.696 1.00 0.00 H ATOM 838 HG LEU A 51 6.419 1.760 -7.796 1.00 0.00 H ATOM 839 HD21 LEU A 51 4.453 0.570 -5.813 1.00 0.00 H ATOM 840 HD22 LEU A 51 4.206 0.746 -7.568 1.00 0.00 H ATOM 841 HD23 LEU A 51 5.467 -0.349 -6.952 1.00 0.00 H ATOM 842 HD11 LEU A 51 7.776 2.317 -5.840 1.00 0.00 H ATOM 843 HD12 LEU A 51 6.596 1.513 -4.776 1.00 0.00 H ATOM 844 HD13 LEU A 51 7.528 0.557 -5.954 1.00 0.00 H ATOM 845 H LEU A 51 5.990 4.917 -8.270 1.00 0.00 H ATOM 846 N GLU A 52 3.193 5.675 -7.404 1.00 52.23 N ATOM 847 CA GLU A 52 2.119 6.538 -6.926 1.00 73.23 C ATOM 848 C GLU A 52 0.935 6.516 -7.889 1.00 15.34 C ATOM 849 O GLU A 52 -0.221 6.465 -7.467 1.00 62.20 O ATOM 850 CB GLU A 52 2.624 7.972 -6.755 1.00 22.25 C ATOM 851 CG GLU A 52 3.905 8.072 -5.943 1.00 40.43 C ATOM 852 CD GLU A 52 4.209 9.493 -5.507 1.00 62.52 C ATOM 853 OE1 GLU A 52 3.363 10.095 -4.814 1.00 43.00 O ATOM 854 OE2 GLU A 52 5.294 10.001 -5.859 1.00 43.03 O ATOM 855 HA GLU A 52 1.787 6.160 -5.959 1.00 0.00 H ATOM 856 HB2 GLU A 52 2.808 8.393 -7.743 1.00 0.00 H ATOM 857 HB3 GLU A 52 1.851 8.553 -6.252 1.00 0.00 H ATOM 858 HG2 GLU A 52 3.806 7.448 -5.055 1.00 0.00 H ATOM 859 HG3 GLU A 52 4.733 7.708 -6.551 1.00 0.00 H ATOM 860 H GLU A 52 3.978 6.093 -7.944 1.00 0.00 H ATOM 861 N SER A 53 1.231 6.557 -9.184 1.00 22.43 N ATOM 862 CA SER A 53 0.192 6.546 -10.207 1.00 0.24 C ATOM 863 C SER A 53 -0.054 5.130 -10.717 1.00 31.54 C ATOM 864 O SER A 53 0.885 4.394 -11.020 1.00 44.14 O ATOM 865 CB SER A 53 0.583 7.459 -11.371 1.00 24.35 C ATOM 866 OG SER A 53 1.079 6.706 -12.464 1.00 42.11 O ATOM 867 HA SER A 53 -0.729 6.916 -9.758 1.00 0.00 H ATOM 868 HB2 SER A 53 1.354 8.153 -11.037 1.00 0.00 H ATOM 869 HB3 SER A 53 -0.294 8.021 -11.694 1.00 0.00 H ATOM 870 HG SER A 53 1.878 6.197 -12.177 1.00 0.00 H ATOM 871 H SER A 53 2.229 6.598 -9.475 1.00 0.00 H ATOM 872 N LYS A 54 -1.325 4.753 -10.808 1.00 60.01 N ATOM 873 CA LYS A 54 -1.698 3.426 -11.282 1.00 61.52 C ATOM 874 C LYS A 54 -1.239 3.213 -12.721 1.00 65.40 C ATOM 875 O LYS A 54 -0.890 2.099 -13.112 1.00 2.21 O ATOM 876 CB LYS A 54 -3.213 3.234 -11.186 1.00 12.12 C ATOM 877 CG LYS A 54 -3.992 4.007 -12.236 1.00 61.45 C ATOM 878 CD LYS A 54 -5.489 3.792 -12.091 1.00 31.20 C ATOM 879 CE LYS A 54 -6.027 2.865 -13.170 1.00 64.42 C ATOM 880 NZ LYS A 54 -6.571 3.622 -14.331 1.00 62.33 N ATOM 881 HA LYS A 54 -1.204 2.690 -10.648 1.00 0.00 H ATOM 882 HB2 LYS A 54 -3.434 2.173 -11.304 1.00 0.00 H ATOM 883 HB3 LYS A 54 -3.541 3.565 -10.200 1.00 0.00 H ATOM 884 HG2 LYS A 54 -3.775 5.070 -12.127 1.00 0.00 H ATOM 885 HG3 LYS A 54 -3.680 3.673 -13.226 1.00 0.00 H ATOM 886 HD2 LYS A 54 -5.691 3.353 -11.114 1.00 0.00 H ATOM 887 HD3 LYS A 54 -5.994 4.755 -12.167 1.00 0.00 H ATOM 888 HE2 LYS A 54 -6.822 2.252 -12.745 1.00 0.00 H ATOM 889 HE3 LYS A 54 -5.219 2.220 -13.516 1.00 0.00 H ATOM 890 HZ1 LYS A 54 -7.347 4.235 -14.010 1.00 0.00 H ATOM 891 HZ2 LYS A 54 -5.817 4.205 -14.747 1.00 0.00 H ATOM 892 HZ3 LYS A 54 -6.927 2.953 -15.043 1.00 0.00 H ATOM 893 H LYS A 54 -2.073 5.422 -10.534 1.00 0.00 H ATOM 894 N GLU A 55 -1.240 4.288 -13.503 1.00 61.42 N ATOM 895 CA GLU A 55 -0.822 4.217 -14.898 1.00 73.35 C ATOM 896 C GLU A 55 0.640 3.794 -15.008 1.00 11.20 C ATOM 897 O GLU A 55 0.997 2.965 -15.843 1.00 71.34 O ATOM 898 CB GLU A 55 -1.026 5.569 -15.584 1.00 55.24 C ATOM 899 CG GLU A 55 -1.760 5.474 -16.912 1.00 32.05 C ATOM 900 CD GLU A 55 -1.034 6.193 -18.032 1.00 73.43 C ATOM 901 OE1 GLU A 55 0.200 6.036 -18.137 1.00 1.34 O ATOM 902 OE2 GLU A 55 -1.702 6.911 -18.805 1.00 42.35 O ATOM 903 HA GLU A 55 -1.437 3.468 -15.397 1.00 0.00 H ATOM 904 HB2 GLU A 55 -1.602 6.211 -14.917 1.00 0.00 H ATOM 905 HB3 GLU A 55 -0.048 6.016 -15.762 1.00 0.00 H ATOM 906 HG2 GLU A 55 -1.862 4.422 -17.180 1.00 0.00 H ATOM 907 HG3 GLU A 55 -2.750 5.916 -16.797 1.00 0.00 H ATOM 908 H GLU A 55 -1.546 5.201 -13.111 1.00 0.00 H ATOM 909 N GLY A 56 1.482 4.372 -14.157 1.00 44.41 N ATOM 910 CA GLY A 56 2.896 4.044 -14.175 1.00 10.45 C ATOM 911 C GLY A 56 3.162 2.603 -13.787 1.00 55.15 C ATOM 912 O GLY A 56 4.073 1.968 -14.319 1.00 43.43 O ATOM 913 HA3 GLY A 56 3.416 4.697 -13.474 1.00 0.00 H ATOM 914 HA2 GLY A 56 3.282 4.213 -15.180 1.00 0.00 H ATOM 915 H GLY A 56 1.124 5.067 -13.471 1.00 0.00 H ATOM 916 N CYS A 57 2.366 2.086 -12.859 1.00 34.45 N ATOM 917 CA CYS A 57 2.521 0.710 -12.398 1.00 52.15 C ATOM 918 C CYS A 57 2.258 -0.275 -13.532 1.00 72.44 C ATOM 919 O CYS A 57 2.802 -1.379 -13.546 1.00 43.15 O ATOM 920 CB CYS A 57 1.571 0.430 -11.233 1.00 5.03 C ATOM 921 SG CYS A 57 2.403 0.187 -9.646 1.00 11.14 S ATOM 922 HA CYS A 57 3.548 0.580 -12.058 1.00 0.00 H ATOM 923 HB2 CYS A 57 1.002 -0.471 -11.463 1.00 0.00 H ATOM 924 HB3 CYS A 57 0.889 1.274 -11.137 1.00 0.00 H ATOM 925 HG CYS A 57 1.461 -0.058 -8.667 1.00 0.00 H ATOM 926 H CYS A 57 1.613 2.676 -12.450 1.00 0.00 H ATOM 927 N GLN A 58 1.419 0.131 -14.480 1.00 32.22 N ATOM 928 CA GLN A 58 1.082 -0.718 -15.616 1.00 71.15 C ATOM 929 C GLN A 58 2.290 -0.915 -16.526 1.00 3.11 C ATOM 930 O GLN A 58 2.439 -1.959 -17.162 1.00 11.41 O ATOM 931 CB GLN A 58 -0.075 -0.108 -16.410 1.00 63.33 C ATOM 932 CG GLN A 58 -0.938 -1.140 -17.117 1.00 72.43 C ATOM 933 CD GLN A 58 -2.177 -0.533 -17.745 1.00 74.31 C ATOM 934 OE1 GLN A 58 -2.581 0.578 -17.401 1.00 30.14 O ATOM 935 NE2 GLN A 58 -2.789 -1.261 -18.672 1.00 42.04 N ATOM 936 HA GLN A 58 0.777 -1.691 -15.232 1.00 0.00 H ATOM 937 HB2 GLN A 58 -0.705 0.456 -15.723 1.00 0.00 H ATOM 938 HB3 GLN A 58 0.339 0.567 -17.159 1.00 0.00 H ATOM 939 HG2 GLN A 58 -0.346 -1.613 -17.900 1.00 0.00 H ATOM 940 HG3 GLN A 58 -1.247 -1.893 -16.392 1.00 0.00 H ATOM 941 HE22 GLN A 58 -2.413 -2.195 -18.932 1.00 0.00 H ATOM 942 HE21 GLN A 58 -3.645 -0.897 -19.138 1.00 0.00 H ATOM 943 H GLN A 58 0.993 1.077 -14.409 1.00 0.00 H ATOM 944 N LYS A 59 3.152 0.095 -16.583 1.00 71.14 N ATOM 945 CA LYS A 59 4.349 0.034 -17.414 1.00 73.21 C ATOM 946 C LYS A 59 5.426 -0.821 -16.754 1.00 72.55 C ATOM 947 O LYS A 59 6.385 -1.238 -17.405 1.00 0.04 O ATOM 948 CB LYS A 59 4.888 1.443 -17.672 1.00 20.41 C ATOM 949 CG LYS A 59 5.162 1.730 -19.138 1.00 12.20 C ATOM 950 CD LYS A 59 5.402 3.211 -19.380 1.00 63.24 C ATOM 951 CE LYS A 59 6.570 3.438 -20.328 1.00 40.11 C ATOM 952 NZ LYS A 59 7.213 4.763 -20.108 1.00 23.11 N ATOM 953 HA LYS A 59 4.078 -0.424 -18.365 1.00 0.00 H ATOM 954 HB2 LYS A 59 4.155 2.164 -17.310 1.00 0.00 H ATOM 955 HB3 LYS A 59 5.818 1.563 -17.117 1.00 0.00 H ATOM 956 HG2 LYS A 59 6.045 1.172 -19.449 1.00 0.00 H ATOM 957 HG3 LYS A 59 4.304 1.409 -19.729 1.00 0.00 H ATOM 958 HD2 LYS A 59 4.503 3.650 -19.813 1.00 0.00 H ATOM 959 HD3 LYS A 59 5.619 3.695 -18.428 1.00 0.00 H ATOM 960 HE2 LYS A 59 6.206 3.388 -21.354 1.00 0.00 H ATOM 961 HE3 LYS A 59 7.311 2.655 -20.168 1.00 0.00 H ATOM 962 HZ1 LYS A 59 6.514 5.517 -20.265 1.00 0.00 H ATOM 963 HZ2 LYS A 59 7.569 4.816 -19.132 1.00 0.00 H ATOM 964 HZ3 LYS A 59 8.004 4.878 -20.774 1.00 0.00 H ATOM 965 H LYS A 59 2.968 0.950 -16.021 1.00 0.00 H ATOM 966 N ILE A 60 5.260 -1.080 -15.462 1.00 30.41 N ATOM 967 CA ILE A 60 6.217 -1.888 -14.716 1.00 60.32 C ATOM 968 C ILE A 60 5.843 -3.366 -14.762 1.00 13.20 C ATOM 969 O ILE A 60 6.690 -4.225 -15.012 1.00 15.25 O ATOM 970 CB ILE A 60 6.309 -1.439 -13.246 1.00 55.30 C ATOM 971 CG1 ILE A 60 6.564 0.068 -13.166 1.00 33.24 C ATOM 972 CG2 ILE A 60 7.406 -2.207 -12.525 1.00 0.33 C ATOM 973 CD1 ILE A 60 6.515 0.614 -11.756 1.00 53.50 C ATOM 974 HA ILE A 60 7.187 -1.746 -15.192 1.00 0.00 H ATOM 975 HB ILE A 60 5.360 -1.655 -12.755 1.00 0.00 H ATOM 976 HG12 ILE A 60 7.550 0.274 -13.582 1.00 0.00 H ATOM 977 HG13 ILE A 60 5.806 0.579 -13.761 1.00 0.00 H ATOM 978 HD11 ILE A 60 5.530 0.426 -11.329 1.00 0.00 H ATOM 979 HD12 ILE A 60 7.275 0.121 -11.150 1.00 0.00 H ATOM 980 HD13 ILE A 60 6.705 1.687 -11.777 1.00 0.00 H ATOM 981 HG21 ILE A 60 7.183 -3.273 -12.558 1.00 0.00 H ATOM 982 HG22 ILE A 60 8.361 -2.019 -13.015 1.00 0.00 H ATOM 983 HG23 ILE A 60 7.457 -1.877 -11.487 1.00 0.00 H ATOM 984 H ILE A 60 4.427 -0.697 -14.971 1.00 0.00 H ATOM 985 N LEU A 61 4.569 -3.655 -14.521 1.00 73.22 N ATOM 986 CA LEU A 61 4.080 -5.030 -14.537 1.00 3.23 C ATOM 987 C LEU A 61 4.224 -5.643 -15.926 1.00 54.00 C ATOM 988 O LEU A 61 4.344 -6.860 -16.071 1.00 24.05 O ATOM 989 CB LEU A 61 2.617 -5.077 -14.095 1.00 13.25 C ATOM 990 CG LEU A 61 2.356 -4.821 -12.610 1.00 15.42 C ATOM 991 CD1 LEU A 61 0.862 -4.831 -12.321 1.00 5.40 C ATOM 992 CD2 LEU A 61 3.073 -5.856 -11.756 1.00 11.23 C ATOM 993 HA LEU A 61 4.682 -5.612 -13.839 1.00 0.00 H ATOM 994 HB2 LEU A 61 2.072 -4.324 -14.664 1.00 0.00 H ATOM 995 HB3 LEU A 61 2.227 -6.066 -14.337 1.00 0.00 H ATOM 996 HG LEU A 61 2.748 -3.836 -12.357 1.00 0.00 H ATOM 997 HD21 LEU A 61 2.711 -6.851 -12.013 1.00 0.00 H ATOM 998 HD22 LEU A 61 4.145 -5.799 -11.942 1.00 0.00 H ATOM 999 HD23 LEU A 61 2.875 -5.657 -10.703 1.00 0.00 H ATOM 1000 HD11 LEU A 61 0.375 -4.051 -12.906 1.00 0.00 H ATOM 1001 HD12 LEU A 61 0.447 -5.802 -12.591 1.00 0.00 H ATOM 1002 HD13 LEU A 61 0.697 -4.647 -11.259 1.00 0.00 H ATOM 1003 H LEU A 61 3.904 -2.882 -14.316 1.00 0.00 H ATOM 1004 N THR A 62 4.211 -4.792 -16.947 1.00 44.22 N ATOM 1005 CA THR A 62 4.341 -5.249 -18.325 1.00 30.01 C ATOM 1006 C THR A 62 5.742 -5.785 -18.597 1.00 32.32 C ATOM 1007 O THR A 62 5.929 -6.659 -19.444 1.00 5.13 O ATOM 1008 CB THR A 62 4.034 -4.117 -19.324 1.00 21.23 C ATOM 1009 OG1 THR A 62 3.763 -4.666 -20.618 1.00 62.32 O ATOM 1010 CG2 THR A 62 5.200 -3.144 -19.414 1.00 31.22 C ATOM 1011 HA THR A 62 3.615 -6.051 -18.461 1.00 0.00 H ATOM 1012 HB THR A 62 3.157 -3.576 -18.969 1.00 0.00 H ATOM 1013 HG1 THR A 62 4.553 -5.173 -20.932 1.00 0.00 H ATOM 1014 HG23 THR A 62 5.402 -2.729 -18.427 1.00 0.00 H ATOM 1015 HG21 THR A 62 6.083 -3.670 -19.776 1.00 0.00 H ATOM 1016 HG22 THR A 62 4.947 -2.338 -20.103 1.00 0.00 H ATOM 1017 H THR A 62 4.105 -3.775 -16.758 1.00 0.00 H ATOM 1018 N VAL A 63 6.724 -5.257 -17.873 1.00 35.22 N ATOM 1019 CA VAL A 63 8.108 -5.685 -18.035 1.00 0.42 C ATOM 1020 C VAL A 63 8.429 -6.864 -17.124 1.00 63.21 C ATOM 1021 O VAL A 63 9.133 -7.794 -17.519 1.00 65.35 O ATOM 1022 CB VAL A 63 9.089 -4.536 -17.734 1.00 11.22 C ATOM 1023 CG1 VAL A 63 10.525 -5.036 -17.771 1.00 51.12 C ATOM 1024 CG2 VAL A 63 8.888 -3.393 -18.717 1.00 50.23 C ATOM 1025 HA VAL A 63 8.225 -5.991 -19.075 1.00 0.00 H ATOM 1026 HB VAL A 63 8.886 -4.162 -16.731 1.00 0.00 H ATOM 1027 HG11 VAL A 63 10.655 -5.818 -17.023 1.00 0.00 H ATOM 1028 HG12 VAL A 63 10.743 -5.438 -18.760 1.00 0.00 H ATOM 1029 HG13 VAL A 63 11.202 -4.209 -17.556 1.00 0.00 H ATOM 1030 HG21 VAL A 63 9.063 -3.753 -19.731 1.00 0.00 H ATOM 1031 HG22 VAL A 63 7.867 -3.019 -18.634 1.00 0.00 H ATOM 1032 HG23 VAL A 63 9.590 -2.591 -18.488 1.00 0.00 H ATOM 1033 H VAL A 63 6.499 -4.521 -17.174 1.00 0.00 H ATOM 1034 N LEU A 64 7.908 -6.820 -15.903 1.00 25.51 N ATOM 1035 CA LEU A 64 8.139 -7.887 -14.934 1.00 51.42 C ATOM 1036 C LEU A 64 7.291 -9.112 -15.261 1.00 1.22 C ATOM 1037 O LEU A 64 7.614 -10.229 -14.855 1.00 51.53 O ATOM 1038 CB LEU A 64 7.822 -7.395 -13.521 1.00 23.45 C ATOM 1039 CG LEU A 64 8.760 -6.328 -12.955 1.00 51.12 C ATOM 1040 CD1 LEU A 64 8.215 -5.779 -11.646 1.00 5.42 C ATOM 1041 CD2 LEU A 64 10.158 -6.896 -12.757 1.00 75.33 C ATOM 1042 HA LEU A 64 9.190 -8.172 -14.986 1.00 0.00 H ATOM 1043 HB2 LEU A 64 6.814 -6.982 -13.530 1.00 0.00 H ATOM 1044 HB3 LEU A 64 7.854 -8.256 -12.853 1.00 0.00 H ATOM 1045 HG LEU A 64 8.821 -5.509 -13.671 1.00 0.00 H ATOM 1046 HD21 LEU A 64 10.113 -7.734 -12.061 1.00 0.00 H ATOM 1047 HD22 LEU A 64 10.549 -7.239 -13.715 1.00 0.00 H ATOM 1048 HD23 LEU A 64 10.810 -6.121 -12.354 1.00 0.00 H ATOM 1049 HD11 LEU A 64 7.236 -5.334 -11.820 1.00 0.00 H ATOM 1050 HD12 LEU A 64 8.124 -6.590 -10.923 1.00 0.00 H ATOM 1051 HD13 LEU A 64 8.897 -5.021 -11.259 1.00 0.00 H ATOM 1052 H LEU A 64 7.321 -6.006 -15.631 1.00 0.00 H ATOM 1053 N ASP A 65 6.207 -8.895 -15.998 1.00 21.24 N ATOM 1054 CA ASP A 65 5.314 -9.982 -16.382 1.00 62.21 C ATOM 1055 C ASP A 65 6.095 -11.127 -17.020 1.00 20.01 C ATOM 1056 O ASP A 65 6.112 -12.253 -16.521 1.00 45.44 O ATOM 1057 CB ASP A 65 4.246 -9.474 -17.352 1.00 20.42 C ATOM 1058 CG ASP A 65 2.908 -9.253 -16.675 1.00 34.31 C ATOM 1059 OD1 ASP A 65 2.558 -10.048 -15.777 1.00 1.12 O ATOM 1060 OD2 ASP A 65 2.210 -8.285 -17.042 1.00 61.15 O ATOM 1061 HA ASP A 65 4.827 -10.356 -15.481 1.00 0.00 H ATOM 1062 HB2 ASP A 65 4.582 -8.530 -17.780 1.00 0.00 H ATOM 1063 HB3 ASP A 65 4.119 -10.207 -18.148 1.00 0.00 H ATOM 1064 H ASP A 65 5.990 -7.926 -16.309 1.00 0.00 H ATOM 1065 N PRO A 66 6.756 -10.835 -18.150 1.00 22.51 N ATOM 1066 CA PRO A 66 7.551 -11.827 -18.881 1.00 34.43 C ATOM 1067 C PRO A 66 8.815 -12.226 -18.128 1.00 22.02 C ATOM 1068 O PRO A 66 9.491 -13.186 -18.496 1.00 63.01 O ATOM 1069 CB PRO A 66 7.908 -11.106 -20.183 1.00 23.05 C ATOM 1070 CG PRO A 66 7.858 -9.657 -19.839 1.00 24.31 C ATOM 1071 CD PRO A 66 6.780 -9.515 -18.801 1.00 13.21 C ATOM 1072 HA PRO A 66 7.004 -12.758 -19.030 1.00 0.00 H ATOM 1073 HD3 PRO A 66 7.028 -8.731 -18.085 1.00 0.00 H ATOM 1074 HD2 PRO A 66 5.819 -9.291 -19.264 1.00 0.00 H ATOM 1075 HG3 PRO A 66 7.614 -9.066 -20.722 1.00 0.00 H ATOM 1076 HG2 PRO A 66 8.817 -9.329 -19.437 1.00 0.00 H ATOM 1077 HB2 PRO A 66 8.906 -11.388 -20.518 1.00 0.00 H ATOM 1078 HB3 PRO A 66 7.185 -11.341 -20.964 1.00 0.00 H ATOM 1079 N MET A 67 9.129 -11.483 -17.071 1.00 55.14 N ATOM 1080 CA MET A 67 10.312 -11.761 -16.266 1.00 11.02 C ATOM 1081 C MET A 67 10.021 -12.839 -15.226 1.00 51.14 C ATOM 1082 O MET A 67 10.938 -13.459 -14.687 1.00 14.41 O ATOM 1083 CB MET A 67 10.795 -10.485 -15.573 1.00 71.32 C ATOM 1084 CG MET A 67 11.314 -9.430 -16.536 1.00 65.33 C ATOM 1085 SD MET A 67 13.062 -9.644 -16.924 1.00 24.22 S ATOM 1086 CE MET A 67 13.475 -8.013 -17.537 1.00 43.14 C ATOM 1087 HA MET A 67 11.096 -12.124 -16.931 1.00 0.00 H ATOM 1088 HB2 MET A 67 9.962 -10.061 -15.012 1.00 0.00 H ATOM 1089 HB3 MET A 67 11.598 -10.749 -14.885 1.00 0.00 H ATOM 1090 HG2 MET A 67 11.174 -8.447 -16.086 1.00 0.00 H ATOM 1091 HG3 MET A 67 10.741 -9.490 -17.461 1.00 0.00 H ATOM 1092 HE1 MET A 67 12.859 -7.787 -18.408 1.00 0.00 H ATOM 1093 HE2 MET A 67 13.288 -7.275 -16.757 1.00 0.00 H ATOM 1094 HE3 MET A 67 14.528 -7.988 -17.818 1.00 0.00 H ATOM 1095 H MET A 67 8.516 -10.684 -16.812 1.00 0.00 H ATOM 1096 N VAL A 68 8.739 -13.057 -14.950 1.00 22.43 N ATOM 1097 CA VAL A 68 8.328 -14.061 -13.975 1.00 72.04 C ATOM 1098 C VAL A 68 8.672 -15.466 -14.456 1.00 31.55 C ATOM 1099 O VAL A 68 9.408 -16.209 -13.805 1.00 14.11 O ATOM 1100 CB VAL A 68 6.816 -13.983 -13.693 1.00 54.43 C ATOM 1101 CG1 VAL A 68 6.275 -15.347 -13.293 1.00 64.14 C ATOM 1102 CG2 VAL A 68 6.528 -12.949 -12.615 1.00 23.25 C ATOM 1103 HA VAL A 68 8.873 -13.851 -13.055 1.00 0.00 H ATOM 1104 HB VAL A 68 6.310 -13.673 -14.607 1.00 0.00 H ATOM 1105 HG11 VAL A 68 6.448 -16.057 -14.102 1.00 0.00 H ATOM 1106 HG12 VAL A 68 6.786 -15.689 -12.393 1.00 0.00 H ATOM 1107 HG13 VAL A 68 5.205 -15.269 -13.098 1.00 0.00 H ATOM 1108 HG21 VAL A 68 7.046 -13.228 -11.698 1.00 0.00 H ATOM 1109 HG22 VAL A 68 6.878 -11.972 -12.948 1.00 0.00 H ATOM 1110 HG23 VAL A 68 5.455 -12.908 -12.430 1.00 0.00 H ATOM 1111 H VAL A 68 8.012 -12.498 -15.441 1.00 0.00 H ATOM 1112 N PRO A 69 8.128 -15.843 -15.623 1.00 2.34 N ATOM 1113 CA PRO A 69 8.364 -17.162 -16.217 1.00 43.42 C ATOM 1114 C PRO A 69 9.795 -17.323 -16.719 1.00 70.53 C ATOM 1115 O PRO A 69 10.174 -18.384 -17.217 1.00 75.34 O ATOM 1116 CB PRO A 69 7.379 -17.205 -17.388 1.00 13.44 C ATOM 1117 CG PRO A 69 7.149 -15.776 -17.742 1.00 50.00 C ATOM 1118 CD PRO A 69 7.242 -15.009 -16.452 1.00 34.22 C ATOM 1119 HA PRO A 69 8.224 -17.966 -15.494 1.00 0.00 H ATOM 1120 HD3 PRO A 69 7.675 -14.022 -16.615 1.00 0.00 H ATOM 1121 HD2 PRO A 69 6.261 -14.902 -15.990 1.00 0.00 H ATOM 1122 HG3 PRO A 69 6.162 -15.650 -18.188 1.00 0.00 H ATOM 1123 HG2 PRO A 69 7.909 -15.432 -18.443 1.00 0.00 H ATOM 1124 HB2 PRO A 69 7.808 -17.746 -18.232 1.00 0.00 H ATOM 1125 HB3 PRO A 69 6.446 -17.682 -17.088 1.00 0.00 H ATOM 1126 N THR A 70 10.588 -16.265 -16.585 1.00 51.21 N ATOM 1127 CA THR A 70 11.977 -16.289 -17.026 1.00 31.33 C ATOM 1128 C THR A 70 12.841 -15.368 -16.172 1.00 31.31 C ATOM 1129 O THR A 70 13.572 -14.528 -16.693 1.00 42.52 O ATOM 1130 CB THR A 70 12.105 -15.871 -18.503 1.00 22.43 C ATOM 1131 OG1 THR A 70 10.914 -16.221 -19.216 1.00 71.21 O ATOM 1132 CG2 THR A 70 13.307 -16.541 -19.152 1.00 75.43 C ATOM 1133 HA THR A 70 12.326 -17.316 -16.915 1.00 0.00 H ATOM 1134 HB THR A 70 12.246 -14.791 -18.542 1.00 0.00 H ATOM 1135 HG1 THR A 70 10.776 -17.200 -19.165 1.00 0.00 H ATOM 1136 HG23 THR A 70 14.211 -16.271 -18.605 1.00 0.00 H ATOM 1137 HG21 THR A 70 13.175 -17.623 -19.128 1.00 0.00 H ATOM 1138 HG22 THR A 70 13.393 -16.207 -20.186 1.00 0.00 H ATOM 1139 H THR A 70 10.208 -15.398 -16.155 1.00 0.00 H ATOM 1140 N GLY A 71 12.752 -15.533 -14.855 1.00 62.24 N ATOM 1141 CA GLY A 71 13.532 -14.709 -13.950 1.00 61.54 C ATOM 1142 C GLY A 71 13.739 -15.367 -12.600 1.00 52.04 C ATOM 1143 O GLY A 71 13.234 -16.462 -12.352 1.00 11.23 O ATOM 1144 HA3 GLY A 71 13.012 -13.763 -13.802 1.00 0.00 H ATOM 1145 HA2 GLY A 71 14.506 -14.520 -14.400 1.00 0.00 H ATOM 1146 H GLY A 71 12.116 -16.260 -14.470 1.00 0.00 H ATOM 1147 N SER A 72 14.485 -14.699 -11.726 1.00 55.33 N ATOM 1148 CA SER A 72 14.762 -15.228 -10.396 1.00 14.51 C ATOM 1149 C SER A 72 13.669 -14.821 -9.411 1.00 44.23 C ATOM 1150 O SER A 72 12.733 -14.107 -9.768 1.00 10.42 O ATOM 1151 CB SER A 72 16.121 -14.732 -9.900 1.00 4.10 C ATOM 1152 OG SER A 72 16.002 -13.477 -9.253 1.00 53.20 O ATOM 1153 HA SER A 72 14.782 -16.316 -10.461 1.00 0.00 H ATOM 1154 HB2 SER A 72 16.796 -14.632 -10.750 1.00 0.00 H ATOM 1155 HB3 SER A 72 16.530 -15.458 -9.197 1.00 0.00 H ATOM 1156 HG SER A 72 16.894 -13.181 -8.943 1.00 0.00 H ATOM 1157 H SER A 72 14.881 -13.776 -11.998 1.00 0.00 H ATOM 1158 N GLU A 73 13.798 -15.282 -8.171 1.00 51.30 N ATOM 1159 CA GLU A 73 12.822 -14.967 -7.135 1.00 15.22 C ATOM 1160 C GLU A 73 12.918 -13.500 -6.724 1.00 71.30 C ATOM 1161 O GLU A 73 11.910 -12.861 -6.427 1.00 0.32 O ATOM 1162 CB GLU A 73 13.033 -15.865 -5.914 1.00 52.30 C ATOM 1163 CG GLU A 73 12.049 -17.019 -5.830 1.00 34.21 C ATOM 1164 CD GLU A 73 12.496 -18.227 -6.631 1.00 53.51 C ATOM 1165 OE1 GLU A 73 12.535 -18.132 -7.876 1.00 21.05 O ATOM 1166 OE2 GLU A 73 12.806 -19.266 -6.013 1.00 24.14 O ATOM 1167 HA GLU A 73 11.827 -15.148 -7.542 1.00 0.00 H ATOM 1168 HB2 GLU A 73 14.042 -16.275 -5.958 1.00 0.00 H ATOM 1169 HB3 GLU A 73 12.928 -15.256 -5.016 1.00 0.00 H ATOM 1170 HG2 GLU A 73 11.943 -17.312 -4.786 1.00 0.00 H ATOM 1171 HG3 GLU A 73 11.085 -16.684 -6.212 1.00 0.00 H ATOM 1172 H GLU A 73 14.614 -15.881 -7.934 1.00 0.00 H ATOM 1173 N ASN A 74 14.139 -12.975 -6.710 1.00 13.04 N ATOM 1174 CA ASN A 74 14.368 -11.584 -6.334 1.00 70.53 C ATOM 1175 C ASN A 74 13.523 -10.644 -7.188 1.00 61.14 C ATOM 1176 O ASN A 74 13.186 -9.538 -6.765 1.00 15.30 O ATOM 1177 CB ASN A 74 15.850 -11.232 -6.481 1.00 73.44 C ATOM 1178 CG ASN A 74 16.754 -12.238 -5.795 1.00 72.23 C ATOM 1179 OD1 ASN A 74 16.318 -12.983 -4.917 1.00 63.45 O ATOM 1180 ND2 ASN A 74 18.020 -12.263 -6.194 1.00 24.24 N ATOM 1181 HA ASN A 74 14.074 -11.462 -5.292 1.00 0.00 H ATOM 1182 HB2 ASN A 74 16.100 -11.203 -7.542 1.00 0.00 H ATOM 1183 HB3 ASN A 74 16.022 -10.250 -6.041 1.00 0.00 H ATOM 1184 HD22 ASN A 74 18.343 -11.614 -6.940 1.00 0.00 H ATOM 1185 HD21 ASN A 74 18.689 -12.931 -5.761 1.00 0.00 H ATOM 1186 H ASN A 74 14.950 -13.570 -6.973 1.00 0.00 H ATOM 1187 N LEU A 75 13.184 -11.091 -8.392 1.00 61.44 N ATOM 1188 CA LEU A 75 12.378 -10.291 -9.307 1.00 14.30 C ATOM 1189 C LEU A 75 10.891 -10.575 -9.114 1.00 65.43 C ATOM 1190 O LEU A 75 10.088 -9.657 -8.951 1.00 40.13 O ATOM 1191 CB LEU A 75 12.779 -10.575 -10.755 1.00 65.22 C ATOM 1192 CG LEU A 75 11.819 -10.066 -11.831 1.00 2.13 C ATOM 1193 CD1 LEU A 75 12.583 -9.347 -12.932 1.00 25.32 C ATOM 1194 CD2 LEU A 75 11.005 -11.215 -12.407 1.00 23.44 C ATOM 1195 HA LEU A 75 12.560 -9.239 -9.086 1.00 0.00 H ATOM 1196 HB2 LEU A 75 13.750 -10.112 -10.929 1.00 0.00 H ATOM 1197 HB3 LEU A 75 12.867 -11.655 -10.871 1.00 0.00 H ATOM 1198 HG LEU A 75 11.132 -9.356 -11.371 1.00 0.00 H ATOM 1199 HD21 LEU A 75 11.678 -11.949 -12.851 1.00 0.00 H ATOM 1200 HD22 LEU A 75 10.428 -11.685 -11.611 1.00 0.00 H ATOM 1201 HD23 LEU A 75 10.328 -10.832 -13.171 1.00 0.00 H ATOM 1202 HD11 LEU A 75 13.119 -8.499 -12.506 1.00 0.00 H ATOM 1203 HD12 LEU A 75 13.294 -10.036 -13.389 1.00 0.00 H ATOM 1204 HD13 LEU A 75 11.882 -8.993 -13.687 1.00 0.00 H ATOM 1205 H LEU A 75 13.501 -12.036 -8.690 1.00 0.00 H ATOM 1206 N LYS A 76 10.532 -11.855 -9.132 1.00 4.40 N ATOM 1207 CA LYS A 76 9.144 -12.262 -8.956 1.00 34.32 C ATOM 1208 C LYS A 76 8.543 -11.624 -7.708 1.00 1.44 C ATOM 1209 O LYS A 76 7.349 -11.328 -7.663 1.00 60.03 O ATOM 1210 CB LYS A 76 9.047 -13.787 -8.859 1.00 15.53 C ATOM 1211 CG LYS A 76 7.674 -14.332 -9.213 1.00 30.44 C ATOM 1212 CD LYS A 76 7.770 -15.489 -10.193 1.00 32.41 C ATOM 1213 CE LYS A 76 8.592 -16.635 -9.624 1.00 24.31 C ATOM 1214 NZ LYS A 76 8.124 -17.035 -8.268 1.00 13.30 N ATOM 1215 HA LYS A 76 8.579 -11.922 -9.824 1.00 0.00 H ATOM 1216 HB2 LYS A 76 9.778 -14.223 -9.540 1.00 0.00 H ATOM 1217 HB3 LYS A 76 9.283 -14.083 -7.837 1.00 0.00 H ATOM 1218 HG2 LYS A 76 7.184 -14.678 -8.303 1.00 0.00 H ATOM 1219 HG3 LYS A 76 7.081 -13.535 -9.662 1.00 0.00 H ATOM 1220 HD2 LYS A 76 6.766 -15.849 -10.415 1.00 0.00 H ATOM 1221 HD3 LYS A 76 8.240 -15.137 -11.111 1.00 0.00 H ATOM 1222 HE2 LYS A 76 9.634 -16.323 -9.559 1.00 0.00 H ATOM 1223 HE3 LYS A 76 8.511 -17.492 -10.292 1.00 0.00 H ATOM 1224 HZ1 LYS A 76 8.204 -16.224 -7.622 1.00 0.00 H ATOM 1225 HZ2 LYS A 76 7.131 -17.341 -8.321 1.00 0.00 H ATOM 1226 HZ3 LYS A 76 8.711 -17.819 -7.917 1.00 0.00 H ATOM 1227 H LYS A 76 11.260 -12.584 -9.275 1.00 0.00 H ATOM 1228 N SER A 77 9.379 -11.412 -6.696 1.00 60.10 N ATOM 1229 CA SER A 77 8.930 -10.810 -5.446 1.00 73.21 C ATOM 1230 C SER A 77 8.386 -9.405 -5.685 1.00 1.34 C ATOM 1231 O SER A 77 7.307 -9.054 -5.205 1.00 3.33 O ATOM 1232 CB SER A 77 10.079 -10.761 -4.437 1.00 52.53 C ATOM 1233 OG SER A 77 9.768 -9.903 -3.353 1.00 24.25 O ATOM 1234 HA SER A 77 8.128 -11.427 -5.041 1.00 0.00 H ATOM 1235 HB2 SER A 77 10.976 -10.394 -4.936 1.00 0.00 H ATOM 1236 HB3 SER A 77 10.262 -11.766 -4.056 1.00 0.00 H ATOM 1237 HG SER A 77 10.526 -9.889 -2.716 1.00 0.00 H ATOM 1238 H SER A 77 10.378 -11.682 -6.798 1.00 0.00 H ATOM 1239 N LEU A 78 9.141 -8.604 -6.429 1.00 33.00 N ATOM 1240 CA LEU A 78 8.736 -7.236 -6.733 1.00 3.45 C ATOM 1241 C LEU A 78 7.504 -7.219 -7.631 1.00 13.31 C ATOM 1242 O LEU A 78 6.653 -6.336 -7.519 1.00 10.31 O ATOM 1243 CB LEU A 78 9.884 -6.482 -7.407 1.00 55.51 C ATOM 1244 CG LEU A 78 9.516 -5.152 -8.068 1.00 22.41 C ATOM 1245 CD1 LEU A 78 9.045 -4.150 -7.026 1.00 33.44 C ATOM 1246 CD2 LEU A 78 10.701 -4.598 -8.846 1.00 30.14 C ATOM 1247 HA LEU A 78 8.485 -6.741 -5.795 1.00 0.00 H ATOM 1248 HB2 LEU A 78 10.641 -6.280 -6.649 1.00 0.00 H ATOM 1249 HB3 LEU A 78 10.305 -7.131 -8.175 1.00 0.00 H ATOM 1250 HG LEU A 78 8.698 -5.329 -8.767 1.00 0.00 H ATOM 1251 HD21 LEU A 78 11.537 -4.437 -8.166 1.00 0.00 H ATOM 1252 HD22 LEU A 78 10.992 -5.310 -9.619 1.00 0.00 H ATOM 1253 HD23 LEU A 78 10.420 -3.652 -9.309 1.00 0.00 H ATOM 1254 HD11 LEU A 78 8.168 -4.546 -6.514 1.00 0.00 H ATOM 1255 HD12 LEU A 78 9.842 -3.978 -6.303 1.00 0.00 H ATOM 1256 HD13 LEU A 78 8.788 -3.211 -7.517 1.00 0.00 H ATOM 1257 H LEU A 78 10.043 -8.961 -6.804 1.00 0.00 H ATOM 1258 N PHE A 79 7.413 -8.202 -8.521 1.00 11.53 N ATOM 1259 CA PHE A 79 6.283 -8.301 -9.438 1.00 5.52 C ATOM 1260 C PHE A 79 4.983 -8.540 -8.676 1.00 24.13 C ATOM 1261 O PHE A 79 3.912 -8.114 -9.106 1.00 23.35 O ATOM 1262 CB PHE A 79 6.514 -9.430 -10.444 1.00 33.22 C ATOM 1263 CG PHE A 79 5.312 -9.731 -11.293 1.00 52.20 C ATOM 1264 CD1 PHE A 79 4.898 -8.841 -12.271 1.00 14.33 C ATOM 1265 CD2 PHE A 79 4.596 -10.903 -11.113 1.00 72.41 C ATOM 1266 CE1 PHE A 79 3.792 -9.114 -13.054 1.00 62.51 C ATOM 1267 CE2 PHE A 79 3.490 -11.183 -11.894 1.00 1.33 C ATOM 1268 CZ PHE A 79 3.087 -10.287 -12.865 1.00 10.35 C ATOM 1269 HA PHE A 79 6.199 -7.356 -9.975 1.00 0.00 H ATOM 1270 HB2 PHE A 79 7.337 -9.146 -11.099 1.00 0.00 H ATOM 1271 HB3 PHE A 79 6.784 -10.332 -9.895 1.00 0.00 H ATOM 1272 HD2 PHE A 79 4.908 -11.613 -10.347 1.00 0.00 H ATOM 1273 HE2 PHE A 79 2.937 -12.110 -11.744 1.00 0.00 H ATOM 1274 HZ PHE A 79 2.214 -10.505 -13.481 1.00 0.00 H ATOM 1275 HE1 PHE A 79 3.477 -8.405 -13.819 1.00 0.00 H ATOM 1276 HD1 PHE A 79 5.451 -7.914 -12.425 1.00 0.00 H ATOM 1277 H PHE A 79 8.166 -8.918 -8.565 1.00 0.00 H ATOM 1278 N ASN A 80 5.087 -9.226 -7.542 1.00 11.53 N ATOM 1279 CA ASN A 80 3.920 -9.523 -6.719 1.00 71.55 C ATOM 1280 C ASN A 80 3.435 -8.274 -5.990 1.00 22.20 C ATOM 1281 O ASN A 80 2.236 -8.090 -5.779 1.00 71.12 O ATOM 1282 CB ASN A 80 4.250 -10.623 -5.708 1.00 1.43 C ATOM 1283 CG ASN A 80 4.155 -12.011 -6.311 1.00 5.13 C ATOM 1284 OD1 ASN A 80 4.260 -12.181 -7.525 1.00 43.55 O ATOM 1285 ND2 ASN A 80 3.956 -13.012 -5.462 1.00 30.25 N ATOM 1286 HA ASN A 80 3.122 -9.870 -7.376 1.00 0.00 H ATOM 1287 HB2 ASN A 80 5.265 -10.469 -5.342 1.00 0.00 H ATOM 1288 HB3 ASN A 80 3.550 -10.554 -4.875 1.00 0.00 H ATOM 1289 HD22 ASN A 80 3.873 -12.821 -4.443 1.00 0.00 H ATOM 1290 HD21 ASN A 80 3.883 -13.987 -5.816 1.00 0.00 H ATOM 1291 H ASN A 80 6.023 -9.559 -7.234 1.00 0.00 H ATOM 1292 N THR A 81 4.376 -7.417 -5.607 1.00 1.24 N ATOM 1293 CA THR A 81 4.046 -6.185 -4.900 1.00 62.35 C ATOM 1294 C THR A 81 3.441 -5.154 -5.846 1.00 60.44 C ATOM 1295 O THR A 81 2.407 -4.556 -5.550 1.00 34.53 O ATOM 1296 CB THR A 81 5.288 -5.577 -4.222 1.00 40.54 C ATOM 1297 OG1 THR A 81 6.035 -6.601 -3.557 1.00 72.31 O ATOM 1298 CG2 THR A 81 4.887 -4.503 -3.222 1.00 33.55 C ATOM 1299 HA THR A 81 3.315 -6.445 -4.135 1.00 0.00 H ATOM 1300 HB THR A 81 5.908 -5.120 -4.993 1.00 0.00 H ATOM 1301 HG1 THR A 81 6.324 -7.279 -4.218 1.00 0.00 H ATOM 1302 HG23 THR A 81 4.319 -3.726 -3.733 1.00 0.00 H ATOM 1303 HG21 THR A 81 4.273 -4.948 -2.439 1.00 0.00 H ATOM 1304 HG22 THR A 81 5.783 -4.068 -2.779 1.00 0.00 H ATOM 1305 H THR A 81 5.372 -7.630 -5.817 1.00 0.00 H ATOM 1306 N VAL A 82 4.092 -4.951 -6.987 1.00 51.14 N ATOM 1307 CA VAL A 82 3.617 -3.993 -7.978 1.00 55.04 C ATOM 1308 C VAL A 82 2.170 -4.277 -8.367 1.00 50.42 C ATOM 1309 O VAL A 82 1.409 -3.360 -8.679 1.00 41.31 O ATOM 1310 CB VAL A 82 4.491 -4.016 -9.246 1.00 62.00 C ATOM 1311 CG1 VAL A 82 4.006 -2.980 -10.249 1.00 31.32 C ATOM 1312 CG2 VAL A 82 5.951 -3.782 -8.890 1.00 4.34 C ATOM 1313 HA VAL A 82 3.681 -3.006 -7.520 1.00 0.00 H ATOM 1314 HB VAL A 82 4.406 -5.000 -9.707 1.00 0.00 H ATOM 1315 HG11 VAL A 82 2.975 -3.199 -10.526 1.00 0.00 H ATOM 1316 HG12 VAL A 82 4.060 -1.988 -9.800 1.00 0.00 H ATOM 1317 HG13 VAL A 82 4.637 -3.013 -11.137 1.00 0.00 H ATOM 1318 HG21 VAL A 82 6.054 -2.811 -8.405 1.00 0.00 H ATOM 1319 HG22 VAL A 82 6.288 -4.566 -8.212 1.00 0.00 H ATOM 1320 HG23 VAL A 82 6.553 -3.802 -9.799 1.00 0.00 H ATOM 1321 H VAL A 82 4.962 -5.489 -7.177 1.00 0.00 H ATOM 1322 N CYS A 83 1.797 -5.551 -8.346 1.00 33.20 N ATOM 1323 CA CYS A 83 0.440 -5.957 -8.697 1.00 1.43 C ATOM 1324 C CYS A 83 -0.558 -5.485 -7.644 1.00 43.41 C ATOM 1325 O CYS A 83 -1.718 -5.212 -7.952 1.00 11.15 O ATOM 1326 CB CYS A 83 0.362 -7.477 -8.845 1.00 42.35 C ATOM 1327 SG CYS A 83 0.610 -8.067 -10.537 1.00 0.54 S ATOM 1328 HA CYS A 83 0.183 -5.493 -9.649 1.00 0.00 H ATOM 1329 HB2 CYS A 83 -0.622 -7.804 -8.509 1.00 0.00 H ATOM 1330 HB3 CYS A 83 1.128 -7.923 -8.211 1.00 0.00 H ATOM 1331 HG CYS A 83 0.520 -9.444 -10.560 1.00 0.00 H ATOM 1332 H CYS A 83 2.489 -6.278 -8.073 1.00 0.00 H ATOM 1333 N VAL A 84 -0.098 -5.392 -6.400 1.00 53.11 N ATOM 1334 CA VAL A 84 -0.950 -4.954 -5.301 1.00 53.42 C ATOM 1335 C VAL A 84 -1.073 -3.434 -5.273 1.00 25.32 C ATOM 1336 O VAL A 84 -2.147 -2.893 -5.009 1.00 44.22 O ATOM 1337 CB VAL A 84 -0.409 -5.440 -3.943 1.00 55.44 C ATOM 1338 CG1 VAL A 84 -1.302 -4.958 -2.810 1.00 4.44 C ATOM 1339 CG2 VAL A 84 -0.289 -6.956 -3.930 1.00 71.02 C ATOM 1340 HA VAL A 84 -1.934 -5.392 -5.469 1.00 0.00 H ATOM 1341 HB VAL A 84 0.585 -5.018 -3.795 1.00 0.00 H ATOM 1342 HG11 VAL A 84 -1.331 -3.868 -2.811 1.00 0.00 H ATOM 1343 HG12 VAL A 84 -2.309 -5.350 -2.951 1.00 0.00 H ATOM 1344 HG13 VAL A 84 -0.903 -5.312 -1.859 1.00 0.00 H ATOM 1345 HG21 VAL A 84 -1.271 -7.398 -4.100 1.00 0.00 H ATOM 1346 HG22 VAL A 84 0.395 -7.272 -4.718 1.00 0.00 H ATOM 1347 HG23 VAL A 84 0.095 -7.281 -2.963 1.00 0.00 H ATOM 1348 H VAL A 84 0.894 -5.638 -6.206 1.00 0.00 H ATOM 1349 N ILE A 85 0.034 -2.752 -5.546 1.00 63.13 N ATOM 1350 CA ILE A 85 0.051 -1.295 -5.554 1.00 14.43 C ATOM 1351 C ILE A 85 -0.967 -0.738 -6.544 1.00 33.53 C ATOM 1352 O ILE A 85 -1.601 0.285 -6.288 1.00 53.31 O ATOM 1353 CB ILE A 85 1.446 -0.749 -5.909 1.00 3.12 C ATOM 1354 CG1 ILE A 85 2.493 -1.292 -4.934 1.00 3.30 C ATOM 1355 CG2 ILE A 85 1.440 0.772 -5.894 1.00 53.45 C ATOM 1356 CD1 ILE A 85 2.354 -0.743 -3.531 1.00 64.31 C ATOM 1357 HA ILE A 85 -0.211 -0.972 -4.546 1.00 0.00 H ATOM 1358 HB ILE A 85 1.705 -1.082 -6.914 1.00 0.00 H ATOM 1359 HG12 ILE A 85 2.395 -2.377 -4.891 1.00 0.00 H ATOM 1360 HG13 ILE A 85 3.483 -1.032 -5.310 1.00 0.00 H ATOM 1361 HD11 ILE A 85 2.461 0.342 -3.554 1.00 0.00 H ATOM 1362 HD12 ILE A 85 1.373 -1.004 -3.135 1.00 0.00 H ATOM 1363 HD13 ILE A 85 3.129 -1.172 -2.896 1.00 0.00 H ATOM 1364 HG21 ILE A 85 0.718 1.138 -6.624 1.00 0.00 H ATOM 1365 HG22 ILE A 85 1.163 1.123 -4.900 1.00 0.00 H ATOM 1366 HG23 ILE A 85 2.434 1.140 -6.147 1.00 0.00 H ATOM 1367 H ILE A 85 0.910 -3.271 -5.759 1.00 0.00 H ATOM 1368 N TRP A 86 -1.119 -1.421 -7.673 1.00 15.32 N ATOM 1369 CA TRP A 86 -2.062 -0.996 -8.701 1.00 55.22 C ATOM 1370 C TRP A 86 -3.501 -1.215 -8.245 1.00 3.10 C ATOM 1371 O TRP A 86 -4.386 -0.413 -8.545 1.00 41.04 O ATOM 1372 CB TRP A 86 -1.806 -1.756 -10.003 1.00 61.32 C ATOM 1373 CG TRP A 86 -2.630 -1.261 -11.153 1.00 11.02 C ATOM 1374 CD1 TRP A 86 -2.228 -0.412 -12.144 1.00 64.42 C ATOM 1375 CD2 TRP A 86 -3.998 -1.583 -11.428 1.00 42.20 C ATOM 1376 NE1 TRP A 86 -3.263 -0.187 -13.019 1.00 62.23 N ATOM 1377 CE2 TRP A 86 -4.359 -0.894 -12.603 1.00 34.53 C ATOM 1378 CE3 TRP A 86 -4.951 -2.387 -10.798 1.00 54.11 C ATOM 1379 CZ2 TRP A 86 -5.633 -0.986 -13.157 1.00 35.44 C ATOM 1380 CZ3 TRP A 86 -6.216 -2.477 -11.349 1.00 5.21 C ATOM 1381 CH2 TRP A 86 -6.547 -1.781 -12.519 1.00 13.31 C ATOM 1382 HA TRP A 86 -1.914 0.070 -8.875 1.00 0.00 H ATOM 1383 HB2 TRP A 86 -0.752 -1.652 -10.263 1.00 0.00 H ATOM 1384 HB3 TRP A 86 -2.037 -2.809 -9.840 1.00 0.00 H ATOM 1385 HE1 TRP A 86 -3.221 0.422 -13.861 1.00 0.00 H ATOM 1386 HD1 TRP A 86 -1.232 0.023 -12.228 1.00 0.00 H ATOM 1387 HZ2 TRP A 86 -5.893 -0.444 -14.066 1.00 0.00 H ATOM 1388 HH2 TRP A 86 -7.552 -1.874 -12.930 1.00 0.00 H ATOM 1389 HZ3 TRP A 86 -6.968 -3.100 -10.865 1.00 0.00 H ATOM 1390 HE3 TRP A 86 -4.702 -2.934 -9.888 1.00 0.00 H ATOM 1391 H TRP A 86 -0.552 -2.279 -7.828 1.00 0.00 H ATOM 1392 N CYS A 87 -3.727 -2.304 -7.519 1.00 1.12 N ATOM 1393 CA CYS A 87 -5.059 -2.628 -7.022 1.00 33.25 C ATOM 1394 C CYS A 87 -5.502 -1.626 -5.961 1.00 35.14 C ATOM 1395 O CYS A 87 -6.690 -1.519 -5.652 1.00 4.24 O ATOM 1396 CB CYS A 87 -5.080 -4.044 -6.443 1.00 40.15 C ATOM 1397 SG CYS A 87 -5.653 -5.307 -7.604 1.00 4.21 S ATOM 1398 HA CYS A 87 -5.755 -2.575 -7.859 1.00 0.00 H ATOM 1399 HB2 CYS A 87 -5.741 -4.050 -5.576 1.00 0.00 H ATOM 1400 HB3 CYS A 87 -4.068 -4.301 -6.129 1.00 0.00 H ATOM 1401 HG CYS A 87 -5.634 -6.541 -6.986 1.00 0.00 H ATOM 1402 H CYS A 87 -2.935 -2.941 -7.300 1.00 0.00 H ATOM 1403 N ILE A 88 -4.541 -0.896 -5.406 1.00 30.04 N ATOM 1404 CA ILE A 88 -4.833 0.097 -4.379 1.00 25.32 C ATOM 1405 C ILE A 88 -5.281 1.415 -5.000 1.00 71.03 C ATOM 1406 O ILE A 88 -6.174 2.086 -4.482 1.00 73.02 O ATOM 1407 CB ILE A 88 -3.608 0.355 -3.482 1.00 45.40 C ATOM 1408 CG1 ILE A 88 -3.235 -0.913 -2.712 1.00 11.04 C ATOM 1409 CG2 ILE A 88 -3.887 1.502 -2.522 1.00 3.11 C ATOM 1410 CD1 ILE A 88 -1.854 -0.863 -2.097 1.00 63.24 C ATOM 1411 HA ILE A 88 -5.641 -0.307 -3.769 1.00 0.00 H ATOM 1412 HB ILE A 88 -2.765 0.633 -4.115 1.00 0.00 H ATOM 1413 HG12 ILE A 88 -3.963 -1.059 -1.914 1.00 0.00 H ATOM 1414 HG13 ILE A 88 -3.276 -1.758 -3.399 1.00 0.00 H ATOM 1415 HD11 ILE A 88 -1.112 -0.729 -2.884 1.00 0.00 H ATOM 1416 HD12 ILE A 88 -1.799 -0.029 -1.398 1.00 0.00 H ATOM 1417 HD13 ILE A 88 -1.659 -1.796 -1.568 1.00 0.00 H ATOM 1418 HG21 ILE A 88 -4.108 2.405 -3.091 1.00 0.00 H ATOM 1419 HG22 ILE A 88 -4.741 1.249 -1.894 1.00 0.00 H ATOM 1420 HG23 ILE A 88 -3.011 1.671 -1.896 1.00 0.00 H ATOM 1421 H ILE A 88 -3.557 -1.036 -5.711 1.00 0.00 H ATOM 1422 N HIS A 89 -4.657 1.780 -6.115 1.00 45.05 N ATOM 1423 CA HIS A 89 -4.993 3.018 -6.811 1.00 24.11 C ATOM 1424 C HIS A 89 -6.197 2.816 -7.726 1.00 31.20 C ATOM 1425 O HIS A 89 -6.870 3.808 -8.003 1.00 45.51 O ATOM 1426 CB HIS A 89 -3.796 3.512 -7.625 1.00 75.34 C ATOM 1427 CG HIS A 89 -2.581 3.791 -6.795 1.00 54.41 C ATOM 1428 ND1 HIS A 89 -2.636 4.421 -5.570 1.00 3.31 N ATOM 1429 CD2 HIS A 89 -1.274 3.522 -7.020 1.00 51.41 C ATOM 1430 CE1 HIS A 89 -1.414 4.528 -5.078 1.00 13.02 C ATOM 1431 NE2 HIS A 89 -0.570 3.989 -5.939 1.00 4.33 N ATOM 1432 HA HIS A 89 -5.248 3.769 -6.063 1.00 0.00 H ATOM 1433 HB2 HIS A 89 -3.543 2.751 -8.363 1.00 0.00 H ATOM 1434 HB3 HIS A 89 -4.082 4.431 -8.137 1.00 0.00 H ATOM 1435 HD2 HIS A 89 -0.858 3.026 -7.897 1.00 0.00 H ATOM 1436 HE1 HIS A 89 -1.148 4.984 -4.124 1.00 0.00 H ATOM 1437 H HIS A 89 -3.910 1.168 -6.501 1.00 0.00 H ATOM 1438 N ALA A 90 -6.477 1.601 -8.186 1.00 31.32 N ATOM 1439 CA ALA A 90 -7.618 1.359 -9.061 1.00 3.14 C ATOM 1440 C ALA A 90 -8.878 1.071 -8.252 1.00 71.53 C ATOM 1441 O ALA A 90 -9.897 0.655 -8.803 1.00 13.33 O ATOM 1442 CB ALA A 90 -7.321 0.207 -10.009 1.00 21.44 C ATOM 1443 HA ALA A 90 -7.793 2.261 -9.648 1.00 0.00 H ATOM 1444 HB1 ALA A 90 -6.451 0.454 -10.618 1.00 0.00 H ATOM 1445 HB2 ALA A 90 -7.118 -0.694 -9.431 1.00 0.00 H ATOM 1446 HB3 ALA A 90 -8.182 0.039 -10.655 1.00 0.00 H ATOM 1447 H ALA A 90 -5.867 0.803 -7.915 1.00 0.00 H ATOM 1448 N GLU A 91 -8.800 1.293 -6.944 1.00 34.31 N ATOM 1449 CA GLU A 91 -9.936 1.054 -6.061 1.00 2.45 C ATOM 1450 C GLU A 91 -10.303 -0.427 -6.034 1.00 1.51 C ATOM 1451 O GLU A 91 -11.402 -0.796 -5.623 1.00 32.12 O ATOM 1452 CB GLU A 91 -11.142 1.882 -6.509 1.00 41.11 C ATOM 1453 CG GLU A 91 -12.047 2.308 -5.365 1.00 41.43 C ATOM 1454 CD GLU A 91 -11.456 3.438 -4.544 1.00 30.33 C ATOM 1455 OE1 GLU A 91 -10.552 3.165 -3.726 1.00 13.52 O ATOM 1456 OE2 GLU A 91 -11.897 4.593 -4.718 1.00 70.21 O ATOM 1457 HA GLU A 91 -9.650 1.358 -5.054 1.00 0.00 H ATOM 1458 HB2 GLU A 91 -10.778 2.778 -7.012 1.00 0.00 H ATOM 1459 HB3 GLU A 91 -11.728 1.287 -7.209 1.00 0.00 H ATOM 1460 HG2 GLU A 91 -13.000 2.638 -5.778 1.00 0.00 H ATOM 1461 HG3 GLU A 91 -12.212 1.451 -4.712 1.00 0.00 H ATOM 1462 H GLU A 91 -7.908 1.645 -6.541 1.00 0.00 H ATOM 1463 N GLU A 92 -9.374 -1.269 -6.476 1.00 51.41 N ATOM 1464 CA GLU A 92 -9.601 -2.709 -6.504 1.00 42.22 C ATOM 1465 C GLU A 92 -9.392 -3.320 -5.121 1.00 41.55 C ATOM 1466 O GLU A 92 -8.451 -2.967 -4.410 1.00 12.13 O ATOM 1467 CB GLU A 92 -8.665 -3.375 -7.515 1.00 21.12 C ATOM 1468 CG GLU A 92 -9.196 -3.360 -8.938 1.00 73.33 C ATOM 1469 CD GLU A 92 -10.375 -4.295 -9.131 1.00 2.23 C ATOM 1470 OE1 GLU A 92 -10.868 -4.844 -8.124 1.00 24.43 O ATOM 1471 OE2 GLU A 92 -10.804 -4.476 -10.289 1.00 54.14 O ATOM 1472 HA GLU A 92 -10.634 -2.883 -6.806 1.00 0.00 H ATOM 1473 HB2 GLU A 92 -7.710 -2.850 -7.498 1.00 0.00 H ATOM 1474 HB3 GLU A 92 -8.514 -4.412 -7.214 1.00 0.00 H ATOM 1475 HG2 GLU A 92 -9.511 -2.346 -9.183 1.00 0.00 H ATOM 1476 HG3 GLU A 92 -8.396 -3.663 -9.613 1.00 0.00 H ATOM 1477 H GLU A 92 -8.464 -0.892 -6.810 1.00 0.00 H ATOM 1478 N LYS A 93 -10.277 -4.238 -4.747 1.00 45.50 N ATOM 1479 CA LYS A 93 -10.191 -4.899 -3.451 1.00 21.34 C ATOM 1480 C LYS A 93 -9.716 -6.340 -3.606 1.00 23.44 C ATOM 1481 O LYS A 93 -10.248 -7.096 -4.419 1.00 43.01 O ATOM 1482 CB LYS A 93 -11.551 -4.872 -2.750 1.00 74.33 C ATOM 1483 CG LYS A 93 -12.687 -5.406 -3.606 1.00 62.23 C ATOM 1484 CD LYS A 93 -13.631 -4.296 -4.035 1.00 73.04 C ATOM 1485 CE LYS A 93 -14.063 -4.460 -5.485 1.00 23.43 C ATOM 1486 NZ LYS A 93 -15.043 -3.417 -5.893 1.00 54.22 N ATOM 1487 HA LYS A 93 -9.465 -4.359 -2.843 1.00 0.00 H ATOM 1488 HB2 LYS A 93 -11.485 -5.478 -1.847 1.00 0.00 H ATOM 1489 HB3 LYS A 93 -11.779 -3.841 -2.479 1.00 0.00 H ATOM 1490 HG2 LYS A 93 -12.269 -5.879 -4.495 1.00 0.00 H ATOM 1491 HG3 LYS A 93 -13.246 -6.145 -3.032 1.00 0.00 H ATOM 1492 HD2 LYS A 93 -14.515 -4.316 -3.397 1.00 0.00 H ATOM 1493 HD3 LYS A 93 -13.125 -3.337 -3.922 1.00 0.00 H ATOM 1494 HE2 LYS A 93 -14.521 -5.442 -5.608 1.00 0.00 H ATOM 1495 HE3 LYS A 93 -13.184 -4.388 -6.125 1.00 0.00 H ATOM 1496 HZ1 LYS A 93 -15.888 -3.483 -5.291 1.00 0.00 H ATOM 1497 HZ2 LYS A 93 -14.612 -2.477 -5.785 1.00 0.00 H ATOM 1498 HZ3 LYS A 93 -15.311 -3.565 -6.887 1.00 0.00 H ATOM 1499 H LYS A 93 -11.050 -4.491 -5.395 1.00 0.00 H ATOM 1500 N VAL A 94 -8.712 -6.716 -2.819 1.00 40.21 N ATOM 1501 CA VAL A 94 -8.167 -8.067 -2.867 1.00 70.24 C ATOM 1502 C VAL A 94 -7.927 -8.613 -1.464 1.00 61.45 C ATOM 1503 O VAL A 94 -7.562 -7.872 -0.551 1.00 62.45 O ATOM 1504 CB VAL A 94 -6.845 -8.112 -3.657 1.00 12.41 C ATOM 1505 CG1 VAL A 94 -7.095 -7.843 -5.133 1.00 14.10 C ATOM 1506 CG2 VAL A 94 -5.850 -7.113 -3.086 1.00 13.52 C ATOM 1507 HA VAL A 94 -8.905 -8.688 -3.374 1.00 0.00 H ATOM 1508 HB VAL A 94 -6.419 -9.111 -3.562 1.00 0.00 H ATOM 1509 HG11 VAL A 94 -7.771 -8.601 -5.530 1.00 0.00 H ATOM 1510 HG12 VAL A 94 -7.544 -6.857 -5.250 1.00 0.00 H ATOM 1511 HG13 VAL A 94 -6.149 -7.879 -5.673 1.00 0.00 H ATOM 1512 HG21 VAL A 94 -6.268 -6.108 -3.150 1.00 0.00 H ATOM 1513 HG22 VAL A 94 -5.649 -7.358 -2.043 1.00 0.00 H ATOM 1514 HG23 VAL A 94 -4.923 -7.159 -3.657 1.00 0.00 H ATOM 1515 H VAL A 94 -8.306 -6.029 -2.153 1.00 0.00 H ATOM 1516 N LYS A 95 -8.134 -9.915 -1.299 1.00 61.41 N ATOM 1517 CA LYS A 95 -7.939 -10.564 -0.008 1.00 4.33 C ATOM 1518 C LYS A 95 -6.462 -10.857 0.236 1.00 4.53 C ATOM 1519 O LYS A 95 -5.918 -10.520 1.288 1.00 2.51 O ATOM 1520 CB LYS A 95 -8.745 -11.862 0.061 1.00 31.53 C ATOM 1521 CG LYS A 95 -10.248 -11.650 -0.006 1.00 5.21 C ATOM 1522 CD LYS A 95 -10.951 -12.256 1.197 1.00 61.54 C ATOM 1523 CE LYS A 95 -12.335 -12.770 0.832 1.00 73.21 C ATOM 1524 NZ LYS A 95 -13.098 -13.210 2.033 1.00 0.20 N ATOM 1525 HA LYS A 95 -8.290 -9.884 0.768 1.00 0.00 H ATOM 1526 HB2 LYS A 95 -8.449 -12.497 -0.774 1.00 0.00 H ATOM 1527 HB3 LYS A 95 -8.509 -12.365 0.999 1.00 0.00 H ATOM 1528 HG2 LYS A 95 -10.454 -10.580 -0.035 1.00 0.00 H ATOM 1529 HG3 LYS A 95 -10.632 -12.117 -0.913 1.00 0.00 H ATOM 1530 HD2 LYS A 95 -10.354 -13.085 1.577 1.00 0.00 H ATOM 1531 HD3 LYS A 95 -11.048 -11.495 1.971 1.00 0.00 H ATOM 1532 HE2 LYS A 95 -12.229 -13.615 0.152 1.00 0.00 H ATOM 1533 HE3 LYS A 95 -12.888 -11.973 0.335 1.00 0.00 H ATOM 1534 HZ1 LYS A 95 -12.580 -13.976 2.510 1.00 0.00 H ATOM 1535 HZ2 LYS A 95 -13.209 -12.407 2.685 1.00 0.00 H ATOM 1536 HZ3 LYS A 95 -14.035 -13.553 1.740 1.00 0.00 H ATOM 1537 H LYS A 95 -8.443 -10.486 -2.112 1.00 0.00 H ATOM 1538 N ASP A 96 -5.818 -11.484 -0.742 1.00 52.10 N ATOM 1539 CA ASP A 96 -4.403 -11.820 -0.634 1.00 52.44 C ATOM 1540 C ASP A 96 -3.636 -11.338 -1.862 1.00 24.42 C ATOM 1541 O ASP A 96 -4.195 -10.680 -2.739 1.00 73.24 O ATOM 1542 CB ASP A 96 -4.227 -13.330 -0.467 1.00 4.54 C ATOM 1543 CG ASP A 96 -5.018 -14.122 -1.489 1.00 3.03 C ATOM 1544 OD1 ASP A 96 -4.809 -13.903 -2.701 1.00 22.44 O ATOM 1545 OD2 ASP A 96 -5.845 -14.961 -1.077 1.00 31.43 O ATOM 1546 HA ASP A 96 -4.000 -11.316 0.245 1.00 0.00 H ATOM 1547 HB2 ASP A 96 -3.170 -13.574 -0.577 1.00 0.00 H ATOM 1548 HB3 ASP A 96 -4.562 -13.613 0.531 1.00 0.00 H ATOM 1549 H ASP A 96 -6.336 -11.742 -1.606 1.00 0.00 H ATOM 1550 N THR A 97 -2.349 -11.670 -1.917 1.00 34.21 N ATOM 1551 CA THR A 97 -1.504 -11.270 -3.035 1.00 32.42 C ATOM 1552 C THR A 97 -1.937 -11.958 -4.325 1.00 12.42 C ATOM 1553 O THR A 97 -1.940 -11.347 -5.393 1.00 11.31 O ATOM 1554 CB THR A 97 -0.023 -11.597 -2.765 1.00 34.24 C ATOM 1555 OG1 THR A 97 0.438 -10.870 -1.620 1.00 72.33 O ATOM 1556 CG2 THR A 97 0.836 -11.252 -3.971 1.00 40.23 C ATOM 1557 HA THR A 97 -1.616 -10.191 -3.146 1.00 0.00 H ATOM 1558 HB THR A 97 0.061 -12.667 -2.574 1.00 0.00 H ATOM 1559 HG1 THR A 97 -0.102 -11.124 -0.830 1.00 0.00 H ATOM 1560 HG23 THR A 97 0.481 -11.808 -4.839 1.00 0.00 H ATOM 1561 HG21 THR A 97 0.768 -10.182 -4.170 1.00 0.00 H ATOM 1562 HG22 THR A 97 1.873 -11.519 -3.766 1.00 0.00 H ATOM 1563 H THR A 97 -1.936 -12.229 -1.143 1.00 0.00 H ATOM 1564 N GLU A 98 -2.303 -13.231 -4.217 1.00 71.25 N ATOM 1565 CA GLU A 98 -2.738 -14.001 -5.377 1.00 51.42 C ATOM 1566 C GLU A 98 -3.918 -13.323 -6.068 1.00 71.21 C ATOM 1567 O GLU A 98 -3.921 -13.147 -7.286 1.00 20.04 O ATOM 1568 CB GLU A 98 -3.125 -15.421 -4.959 1.00 45.21 C ATOM 1569 CG GLU A 98 -2.007 -16.434 -5.141 1.00 71.32 C ATOM 1570 CD GLU A 98 -2.464 -17.682 -5.872 1.00 52.55 C ATOM 1571 OE1 GLU A 98 -2.397 -17.695 -7.120 1.00 31.44 O ATOM 1572 OE2 GLU A 98 -2.889 -18.643 -5.199 1.00 30.04 O ATOM 1573 HA GLU A 98 -1.907 -14.051 -6.080 1.00 0.00 H ATOM 1574 HB2 GLU A 98 -3.409 -15.406 -3.907 1.00 0.00 H ATOM 1575 HB3 GLU A 98 -3.978 -15.737 -5.559 1.00 0.00 H ATOM 1576 HG2 GLU A 98 -1.204 -15.969 -5.712 1.00 0.00 H ATOM 1577 HG3 GLU A 98 -1.633 -16.722 -4.158 1.00 0.00 H ATOM 1578 H GLU A 98 -2.279 -13.689 -3.284 1.00 0.00 H ATOM 1579 N GLY A 99 -4.921 -12.946 -5.280 1.00 44.23 N ATOM 1580 CA GLY A 99 -6.093 -12.293 -5.833 1.00 10.11 C ATOM 1581 C GLY A 99 -5.745 -11.044 -6.618 1.00 50.10 C ATOM 1582 O GLY A 99 -6.342 -10.770 -7.658 1.00 75.25 O ATOM 1583 HA3 GLY A 99 -6.759 -12.018 -5.015 1.00 0.00 H ATOM 1584 HA2 GLY A 99 -6.603 -12.992 -6.496 1.00 0.00 H ATOM 1585 H GLY A 99 -4.865 -13.121 -4.256 1.00 0.00 H ATOM 1586 N ALA A 100 -4.777 -10.283 -6.118 1.00 63.11 N ATOM 1587 CA ALA A 100 -4.350 -9.057 -6.780 1.00 52.50 C ATOM 1588 C ALA A 100 -3.693 -9.357 -8.123 1.00 23.34 C ATOM 1589 O ALA A 100 -3.860 -8.612 -9.089 1.00 21.45 O ATOM 1590 CB ALA A 100 -3.396 -8.278 -5.886 1.00 34.44 C ATOM 1591 HA ALA A 100 -5.235 -8.448 -6.966 1.00 0.00 H ATOM 1592 HB1 ALA A 100 -3.900 -8.023 -4.954 1.00 0.00 H ATOM 1593 HB2 ALA A 100 -2.520 -8.890 -5.671 1.00 0.00 H ATOM 1594 HB3 ALA A 100 -3.087 -7.365 -6.395 1.00 0.00 H ATOM 1595 H ALA A 100 -4.313 -10.569 -5.233 1.00 0.00 H ATOM 1596 N LYS A 101 -2.943 -10.453 -8.177 1.00 34.32 N ATOM 1597 CA LYS A 101 -2.260 -10.854 -9.401 1.00 54.11 C ATOM 1598 C LYS A 101 -3.264 -11.204 -10.495 1.00 34.44 C ATOM 1599 O LYS A 101 -2.996 -11.011 -11.680 1.00 54.10 O ATOM 1600 CB LYS A 101 -1.346 -12.051 -9.131 1.00 41.10 C ATOM 1601 CG LYS A 101 0.134 -11.713 -9.197 1.00 75.20 C ATOM 1602 CD LYS A 101 0.997 -12.937 -8.941 1.00 72.23 C ATOM 1603 CE LYS A 101 1.000 -13.877 -10.137 1.00 40.24 C ATOM 1604 NZ LYS A 101 1.107 -15.303 -9.722 1.00 53.12 N ATOM 1605 HA LYS A 101 -1.656 -10.013 -9.742 1.00 0.00 H ATOM 1606 HB2 LYS A 101 -1.568 -12.437 -8.136 1.00 0.00 H ATOM 1607 HB3 LYS A 101 -1.557 -12.821 -9.873 1.00 0.00 H ATOM 1608 HG2 LYS A 101 0.364 -11.318 -10.187 1.00 0.00 H ATOM 1609 HG3 LYS A 101 0.359 -10.957 -8.445 1.00 0.00 H ATOM 1610 HD2 LYS A 101 2.019 -12.615 -8.741 1.00 0.00 H ATOM 1611 HD3 LYS A 101 0.609 -13.469 -8.073 1.00 0.00 H ATOM 1612 HE2 LYS A 101 1.848 -13.631 -10.777 1.00 0.00 H ATOM 1613 HE3 LYS A 101 0.074 -13.741 -10.695 1.00 0.00 H ATOM 1614 HZ1 LYS A 101 1.992 -15.444 -9.194 1.00 0.00 H ATOM 1615 HZ2 LYS A 101 0.298 -15.548 -9.116 1.00 0.00 H ATOM 1616 HZ3 LYS A 101 1.106 -15.910 -10.567 1.00 0.00 H ATOM 1617 H LYS A 101 -2.841 -11.040 -7.324 1.00 0.00 H ATOM 1618 N GLN A 102 -4.420 -11.719 -10.088 1.00 32.04 N ATOM 1619 CA GLN A 102 -5.464 -12.095 -11.034 1.00 21.21 C ATOM 1620 C GLN A 102 -6.176 -10.861 -11.578 1.00 63.01 C ATOM 1621 O GLN A 102 -6.241 -10.654 -12.790 1.00 61.53 O ATOM 1622 CB GLN A 102 -6.475 -13.029 -10.366 1.00 0.40 C ATOM 1623 CG GLN A 102 -7.280 -13.860 -11.352 1.00 44.23 C ATOM 1624 CD GLN A 102 -7.449 -15.297 -10.902 1.00 63.53 C ATOM 1625 OE1 GLN A 102 -6.473 -15.981 -10.590 1.00 74.33 O ATOM 1626 NE2 GLN A 102 -8.691 -15.764 -10.866 1.00 33.40 N ATOM 1627 HA GLN A 102 -4.993 -12.617 -11.867 1.00 0.00 H ATOM 1628 HB2 GLN A 102 -5.934 -13.706 -9.705 1.00 0.00 H ATOM 1629 HB3 GLN A 102 -7.167 -12.425 -9.779 1.00 0.00 H ATOM 1630 HG2 GLN A 102 -8.267 -13.411 -11.464 1.00 0.00 H ATOM 1631 HG3 GLN A 102 -6.768 -13.853 -12.314 1.00 0.00 H ATOM 1632 HE22 GLN A 102 -9.485 -15.150 -11.138 1.00 0.00 H ATOM 1633 HE21 GLN A 102 -8.870 -16.743 -10.565 1.00 0.00 H ATOM 1634 H GLN A 102 -4.584 -11.857 -9.070 1.00 0.00 H ATOM 1635 N ILE A 103 -6.708 -10.045 -10.675 1.00 2.41 N ATOM 1636 CA ILE A 103 -7.414 -8.831 -11.065 1.00 51.22 C ATOM 1637 C ILE A 103 -6.572 -7.986 -12.015 1.00 60.13 C ATOM 1638 O ILE A 103 -7.039 -7.575 -13.077 1.00 51.25 O ATOM 1639 CB ILE A 103 -7.792 -7.980 -9.838 1.00 72.22 C ATOM 1640 CG1 ILE A 103 -8.676 -8.786 -8.885 1.00 35.35 C ATOM 1641 CG2 ILE A 103 -8.499 -6.706 -10.275 1.00 1.43 C ATOM 1642 CD1 ILE A 103 -9.073 -8.025 -7.639 1.00 52.32 C ATOM 1643 HA ILE A 103 -8.325 -9.146 -11.573 1.00 0.00 H ATOM 1644 HB ILE A 103 -6.879 -7.703 -9.311 1.00 0.00 H ATOM 1645 HG12 ILE A 103 -9.583 -9.075 -9.417 1.00 0.00 H ATOM 1646 HG13 ILE A 103 -8.132 -9.681 -8.584 1.00 0.00 H ATOM 1647 HD11 ILE A 103 -8.177 -7.738 -7.089 1.00 0.00 H ATOM 1648 HD12 ILE A 103 -9.629 -7.131 -7.922 1.00 0.00 H ATOM 1649 HD13 ILE A 103 -9.699 -8.659 -7.011 1.00 0.00 H ATOM 1650 HG21 ILE A 103 -7.837 -6.127 -10.919 1.00 0.00 H ATOM 1651 HG22 ILE A 103 -9.406 -6.964 -10.822 1.00 0.00 H ATOM 1652 HG23 ILE A 103 -8.759 -6.116 -9.396 1.00 0.00 H ATOM 1653 H ILE A 103 -6.619 -10.278 -9.665 1.00 0.00 H ATOM 1654 N VAL A 104 -5.326 -7.732 -11.627 1.00 34.15 N ATOM 1655 CA VAL A 104 -4.417 -6.939 -12.445 1.00 1.13 C ATOM 1656 C VAL A 104 -4.236 -7.560 -13.825 1.00 70.11 C ATOM 1657 O VAL A 104 -4.379 -6.885 -14.845 1.00 14.25 O ATOM 1658 CB VAL A 104 -3.038 -6.796 -11.773 1.00 50.15 C ATOM 1659 CG1 VAL A 104 -2.086 -6.017 -12.668 1.00 55.35 C ATOM 1660 CG2 VAL A 104 -3.174 -6.126 -10.415 1.00 14.53 C ATOM 1661 HA VAL A 104 -4.866 -5.951 -12.551 1.00 0.00 H ATOM 1662 HB VAL A 104 -2.622 -7.792 -11.621 1.00 0.00 H ATOM 1663 HG11 VAL A 104 -1.966 -6.544 -13.614 1.00 0.00 H ATOM 1664 HG12 VAL A 104 -2.495 -5.024 -12.853 1.00 0.00 H ATOM 1665 HG13 VAL A 104 -1.118 -5.927 -12.175 1.00 0.00 H ATOM 1666 HG21 VAL A 104 -3.611 -5.136 -10.542 1.00 0.00 H ATOM 1667 HG22 VAL A 104 -3.819 -6.730 -9.776 1.00 0.00 H ATOM 1668 HG23 VAL A 104 -2.189 -6.034 -9.956 1.00 0.00 H ATOM 1669 H VAL A 104 -4.992 -8.109 -10.717 1.00 0.00 H ATOM 1670 N ARG A 105 -3.921 -8.851 -13.850 1.00 43.14 N ATOM 1671 CA ARG A 105 -3.719 -9.564 -15.106 1.00 53.31 C ATOM 1672 C ARG A 105 -4.922 -9.391 -16.029 1.00 14.55 C ATOM 1673 O ARG A 105 -4.782 -8.966 -17.175 1.00 43.15 O ATOM 1674 CB ARG A 105 -3.477 -11.051 -14.840 1.00 11.41 C ATOM 1675 CG ARG A 105 -3.290 -11.873 -16.104 1.00 74.13 C ATOM 1676 CD ARG A 105 -2.223 -12.941 -15.922 1.00 12.03 C ATOM 1677 NE ARG A 105 -1.018 -12.648 -16.693 1.00 11.01 N ATOM 1678 CZ ARG A 105 -0.043 -13.527 -16.895 1.00 2.05 C ATOM 1679 NH1 ARG A 105 -0.130 -14.748 -16.385 1.00 13.21 N ATOM 1680 NH2 ARG A 105 1.023 -13.186 -17.608 1.00 12.52 N ATOM 1681 HA ARG A 105 -2.842 -9.142 -15.597 1.00 0.00 H ATOM 1682 HB2 ARG A 105 -2.580 -11.150 -14.228 1.00 0.00 H ATOM 1683 HB3 ARG A 105 -4.333 -11.447 -14.294 1.00 0.00 H ATOM 1684 HG2 ARG A 105 -4.235 -12.355 -16.356 1.00 0.00 H ATOM 1685 HG3 ARG A 105 -2.993 -11.210 -16.917 1.00 0.00 H ATOM 1686 HD2 ARG A 105 -2.625 -13.900 -16.248 1.00 0.00 H ATOM 1687 HD3 ARG A 105 -1.960 -12.999 -14.866 1.00 0.00 H ATOM 1688 HE ARG A 105 -0.918 -11.699 -17.107 1.00 0.00 H ATOM 1689 HH12 ARG A 105 0.635 -15.434 -16.545 1.00 0.00 H ATOM 1690 HH11 ARG A 105 -0.963 -15.020 -15.825 1.00 0.00 H ATOM 1691 HH22 ARG A 105 1.786 -13.875 -17.765 1.00 0.00 H ATOM 1692 HH21 ARG A 105 1.096 -12.229 -18.009 1.00 0.00 H ATOM 1693 H ARG A 105 -3.816 -9.365 -12.952 1.00 0.00 H ATOM 1694 N ARG A 106 -6.104 -9.723 -15.520 1.00 14.34 N ATOM 1695 CA ARG A 106 -7.331 -9.606 -16.298 1.00 55.31 C ATOM 1696 C ARG A 106 -7.464 -8.208 -16.897 1.00 34.44 C ATOM 1697 O ARG A 106 -8.047 -8.033 -17.967 1.00 53.12 O ATOM 1698 CB ARG A 106 -8.547 -9.915 -15.423 1.00 14.13 C ATOM 1699 CG ARG A 106 -9.016 -11.358 -15.519 1.00 1.41 C ATOM 1700 CD ARG A 106 -9.635 -11.653 -16.876 1.00 71.00 C ATOM 1701 NE ARG A 106 -8.715 -12.372 -17.753 1.00 4.12 N ATOM 1702 CZ ARG A 106 -8.902 -12.509 -19.061 1.00 23.33 C ATOM 1703 NH1 ARG A 106 -9.970 -11.979 -19.640 1.00 61.12 N ATOM 1704 NH2 ARG A 106 -8.019 -13.178 -19.792 1.00 1.31 N ATOM 1705 HA ARG A 106 -7.285 -10.329 -17.112 1.00 0.00 H ATOM 1706 HB2 ARG A 106 -8.287 -9.705 -14.385 1.00 0.00 H ATOM 1707 HB3 ARG A 106 -9.367 -9.265 -15.730 1.00 0.00 H ATOM 1708 HG2 ARG A 106 -8.163 -12.019 -15.367 1.00 0.00 H ATOM 1709 HG3 ARG A 106 -9.759 -11.542 -14.743 1.00 0.00 H ATOM 1710 HD2 ARG A 106 -9.909 -10.711 -17.350 1.00 0.00 H ATOM 1711 HD3 ARG A 106 -10.529 -12.259 -16.731 1.00 0.00 H ATOM 1712 HE ARG A 106 -7.867 -12.800 -17.330 1.00 0.00 H ATOM 1713 HH12 ARG A 106 -10.114 -12.088 -20.664 1.00 0.00 H ATOM 1714 HH11 ARG A 106 -10.664 -11.454 -19.070 1.00 0.00 H ATOM 1715 HH22 ARG A 106 -8.166 -13.285 -20.816 1.00 0.00 H ATOM 1716 HH21 ARG A 106 -7.180 -13.595 -19.341 1.00 0.00 H ATOM 1717 H ARG A 106 -6.155 -10.075 -14.543 1.00 0.00 H ATOM 1718 N HIS A 107 -6.921 -7.217 -16.198 1.00 45.32 N ATOM 1719 CA HIS A 107 -6.978 -5.834 -16.660 1.00 41.11 C ATOM 1720 C HIS A 107 -5.910 -5.571 -17.718 1.00 41.01 C ATOM 1721 O HIS A 107 -6.148 -4.704 -18.560 1.00 1.32 O ATOM 1722 CB HIS A 107 -6.795 -4.873 -15.485 1.00 2.10 C ATOM 1723 CG HIS A 107 -8.000 -4.772 -14.601 1.00 22.23 C ATOM 1724 ND1 HIS A 107 -9.267 -4.518 -15.081 1.00 61.32 N ATOM 1725 CD2 HIS A 107 -8.126 -4.894 -13.259 1.00 2.24 C ATOM 1726 CE1 HIS A 107 -10.120 -4.487 -14.073 1.00 23.43 C ATOM 1727 NE2 HIS A 107 -9.452 -4.713 -12.955 1.00 72.14 N ATOM 1728 HA HIS A 107 -7.958 -5.666 -17.107 1.00 0.00 H ATOM 1729 HB2 HIS A 107 -5.954 -5.219 -14.884 1.00 0.00 H ATOM 1730 HB3 HIS A 107 -6.573 -3.882 -15.881 1.00 0.00 H ATOM 1731 HD2 HIS A 107 -7.323 -5.098 -12.551 1.00 0.00 H ATOM 1732 HE1 HIS A 107 -11.192 -4.306 -14.150 1.00 0.00 H ATOM 1733 H HIS A 107 -6.444 -7.432 -15.299 1.00 0.00 H ATOM 1734 N LEU A 108 -4.780 -6.270 -17.700 1.00 14.11 N ATOM 1735 CA LEU A 108 -3.731 -6.054 -18.690 1.00 70.00 C ATOM 1736 C LEU A 108 -4.046 -6.792 -19.987 1.00 70.21 C ATOM 1737 O LEU A 108 -4.014 -6.208 -21.070 1.00 50.40 O ATOM 1738 CB LEU A 108 -2.381 -6.518 -18.141 1.00 20.24 C ATOM 1739 CG LEU A 108 -1.916 -5.847 -16.848 1.00 21.12 C ATOM 1740 CD1 LEU A 108 -0.642 -6.501 -16.335 1.00 73.30 C ATOM 1741 CD2 LEU A 108 -1.701 -4.357 -17.068 1.00 3.20 C ATOM 1742 HA LEU A 108 -3.682 -4.986 -18.904 1.00 0.00 H ATOM 1743 HB2 LEU A 108 -2.447 -7.590 -17.956 1.00 0.00 H ATOM 1744 HB3 LEU A 108 -1.627 -6.328 -18.905 1.00 0.00 H ATOM 1745 HG LEU A 108 -2.694 -5.975 -16.095 1.00 0.00 H ATOM 1746 HD21 LEU A 108 -0.942 -4.210 -17.836 1.00 0.00 H ATOM 1747 HD22 LEU A 108 -2.637 -3.899 -17.388 1.00 0.00 H ATOM 1748 HD23 LEU A 108 -1.370 -3.897 -16.137 1.00 0.00 H ATOM 1749 HD11 LEU A 108 -0.831 -7.556 -16.138 1.00 0.00 H ATOM 1750 HD12 LEU A 108 0.142 -6.405 -17.086 1.00 0.00 H ATOM 1751 HD13 LEU A 108 -0.328 -6.009 -15.414 1.00 0.00 H ATOM 1752 H LEU A 108 -4.640 -6.989 -16.962 1.00 0.00 H ATOM 1753 N VAL A 109 -4.352 -8.080 -19.870 1.00 35.45 N ATOM 1754 CA VAL A 109 -4.677 -8.898 -21.032 1.00 61.22 C ATOM 1755 C VAL A 109 -5.816 -8.282 -21.837 1.00 30.33 C ATOM 1756 O VAL A 109 -5.906 -8.472 -23.049 1.00 52.33 O ATOM 1757 CB VAL A 109 -5.070 -10.329 -20.620 1.00 24.33 C ATOM 1758 CG1 VAL A 109 -5.424 -11.160 -21.844 1.00 0.32 C ATOM 1759 CG2 VAL A 109 -3.946 -10.983 -19.829 1.00 12.40 C ATOM 1760 HA VAL A 109 -3.780 -8.939 -21.650 1.00 0.00 H ATOM 1761 HB VAL A 109 -5.951 -10.275 -19.980 1.00 0.00 H ATOM 1762 HG11 VAL A 109 -6.263 -10.699 -22.365 1.00 0.00 H ATOM 1763 HG12 VAL A 109 -4.563 -11.208 -22.511 1.00 0.00 H ATOM 1764 HG13 VAL A 109 -5.699 -12.167 -21.531 1.00 0.00 H ATOM 1765 HG21 VAL A 109 -3.047 -11.025 -20.444 1.00 0.00 H ATOM 1766 HG22 VAL A 109 -3.747 -10.397 -18.932 1.00 0.00 H ATOM 1767 HG23 VAL A 109 -4.242 -11.993 -19.547 1.00 0.00 H ATOM 1768 H VAL A 109 -4.360 -8.515 -18.926 1.00 0.00 H ATOM 1769 N ALA A 110 -6.684 -7.544 -21.153 1.00 41.52 N ATOM 1770 CA ALA A 110 -7.816 -6.897 -21.805 1.00 34.05 C ATOM 1771 C ALA A 110 -7.349 -5.815 -22.773 1.00 22.55 C ATOM 1772 O ALA A 110 -7.991 -5.562 -23.791 1.00 15.23 O ATOM 1773 CB ALA A 110 -8.757 -6.306 -20.764 1.00 62.54 C ATOM 1774 HA ALA A 110 -8.353 -7.653 -22.378 1.00 0.00 H ATOM 1775 HB1 ALA A 110 -9.125 -7.101 -20.116 1.00 0.00 H ATOM 1776 HB2 ALA A 110 -8.220 -5.569 -20.167 1.00 0.00 H ATOM 1777 HB3 ALA A 110 -9.597 -5.826 -21.266 1.00 0.00 H ATOM 1778 H ALA A 110 -6.553 -7.425 -20.128 1.00 0.00 H ATOM 1779 N GLU A 111 -6.227 -5.181 -22.447 1.00 63.30 N ATOM 1780 CA GLU A 111 -5.675 -4.126 -23.288 1.00 52.43 C ATOM 1781 C GLU A 111 -4.753 -4.707 -24.356 1.00 52.03 C ATOM 1782 O GLU A 111 -4.677 -4.195 -25.474 1.00 34.01 O ATOM 1783 CB GLU A 111 -4.910 -3.111 -22.436 1.00 31.01 C ATOM 1784 CG GLU A 111 -4.419 -1.906 -23.219 1.00 44.54 C ATOM 1785 CD GLU A 111 -4.190 -0.692 -22.340 1.00 3.22 C ATOM 1786 OE1 GLU A 111 -3.236 -0.716 -21.534 1.00 0.44 O ATOM 1787 OE2 GLU A 111 -4.964 0.281 -22.457 1.00 5.10 O ATOM 1788 HA GLU A 111 -6.504 -3.622 -23.784 1.00 0.00 H ATOM 1789 HB2 GLU A 111 -5.570 -2.761 -21.642 1.00 0.00 H ATOM 1790 HB3 GLU A 111 -4.047 -3.611 -21.996 1.00 0.00 H ATOM 1791 HG2 GLU A 111 -3.480 -2.166 -23.707 1.00 0.00 H ATOM 1792 HG3 GLU A 111 -5.163 -1.654 -23.975 1.00 0.00 H ATOM 1793 H GLU A 111 -5.731 -5.444 -21.571 1.00 0.00 H ATOM 1794 N THR A 112 -4.052 -5.780 -24.004 1.00 74.54 N ATOM 1795 CA THR A 112 -3.134 -6.431 -24.930 1.00 71.23 C ATOM 1796 C THR A 112 -3.799 -7.614 -25.624 1.00 74.40 C ATOM 1797 O THR A 112 -3.130 -8.560 -26.037 1.00 74.54 O ATOM 1798 CB THR A 112 -1.863 -6.921 -24.210 1.00 55.14 C ATOM 1799 OG1 THR A 112 -1.461 -5.966 -23.222 1.00 55.11 O ATOM 1800 CG2 THR A 112 -0.730 -7.140 -25.201 1.00 74.25 C ATOM 1801 HA THR A 112 -2.856 -5.686 -25.675 1.00 0.00 H ATOM 1802 HB THR A 112 -2.090 -7.871 -23.726 1.00 0.00 H ATOM 1803 HG1 THR A 112 -2.188 -5.852 -22.560 1.00 0.00 H ATOM 1804 HG23 THR A 112 -1.041 -7.867 -25.951 1.00 0.00 H ATOM 1805 HG21 THR A 112 -0.487 -6.195 -25.688 1.00 0.00 H ATOM 1806 HG22 THR A 112 0.147 -7.513 -24.672 1.00 0.00 H ATOM 1807 H THR A 112 -4.161 -6.165 -23.044 1.00 0.00 H ATOM 1808 N GLY A 113 -5.122 -7.554 -25.749 1.00 62.31 N ATOM 1809 CA GLY A 113 -5.855 -8.627 -26.394 1.00 75.43 C ATOM 1810 C GLY A 113 -6.975 -8.115 -27.278 1.00 42.45 C ATOM 1811 O GLY A 113 -7.963 -8.812 -27.511 1.00 64.30 O ATOM 1812 HA3 GLY A 113 -6.283 -9.270 -25.625 1.00 0.00 H ATOM 1813 HA2 GLY A 113 -5.163 -9.205 -27.006 1.00 0.00 H ATOM 1814 H GLY A 113 -5.637 -6.729 -25.380 1.00 0.00 H ATOM 1815 N THR A 114 -6.823 -6.890 -27.773 1.00 2.33 N ATOM 1816 CA THR A 114 -7.830 -6.283 -28.634 1.00 2.43 C ATOM 1817 C THR A 114 -7.192 -5.654 -29.867 1.00 42.12 C ATOM 1818 O THR A 114 -7.729 -4.707 -30.441 1.00 3.33 O ATOM 1819 CB THR A 114 -8.637 -5.207 -27.882 1.00 43.23 C ATOM 1820 OG1 THR A 114 -9.711 -4.737 -28.704 1.00 60.03 O ATOM 1821 CG2 THR A 114 -7.745 -4.039 -27.488 1.00 33.04 C ATOM 1822 HA THR A 114 -8.504 -7.082 -28.944 1.00 0.00 H ATOM 1823 HB THR A 114 -9.043 -5.656 -26.975 1.00 0.00 H ATOM 1824 HG1 THR A 114 -9.342 -4.346 -29.536 1.00 0.00 H ATOM 1825 HG23 THR A 114 -6.929 -4.401 -26.863 1.00 0.00 H ATOM 1826 HG21 THR A 114 -7.338 -3.575 -28.386 1.00 0.00 H ATOM 1827 HG22 THR A 114 -8.332 -3.306 -26.934 1.00 0.00 H ATOM 1828 H THR A 114 -5.964 -6.352 -27.540 1.00 0.00 H ATOM 1829 N ALA A 115 -6.044 -6.188 -30.271 1.00 4.41 N ATOM 1830 CA ALA A 115 -5.334 -5.680 -31.439 1.00 31.14 C ATOM 1831 C ALA A 115 -5.038 -6.800 -32.430 1.00 43.24 C ATOM 1832 O ALA A 115 -5.496 -6.767 -33.572 1.00 2.30 O ATOM 1833 CB ALA A 115 -4.045 -4.993 -31.015 1.00 5.40 C ATOM 1834 HA ALA A 115 -5.975 -4.951 -31.935 1.00 0.00 H ATOM 1835 HB1 ALA A 115 -4.280 -4.161 -30.351 1.00 0.00 H ATOM 1836 HB2 ALA A 115 -3.408 -5.708 -30.494 1.00 0.00 H ATOM 1837 HB3 ALA A 115 -3.527 -4.619 -31.898 1.00 0.00 H ATOM 1838 H ALA A 115 -5.642 -6.988 -29.741 1.00 0.00 H ATOM 1839 N GLU A 116 -4.268 -7.789 -31.987 1.00 34.03 N ATOM 1840 CA GLU A 116 -3.910 -8.918 -32.838 1.00 14.24 C ATOM 1841 C GLU A 116 -3.209 -10.006 -32.030 1.00 62.45 C ATOM 1842 O GLU A 116 -2.206 -10.571 -32.468 1.00 2.03 O ATOM 1843 CB GLU A 116 -3.008 -8.455 -33.983 1.00 63.33 C ATOM 1844 CG GLU A 116 -3.269 -9.178 -35.294 1.00 21.42 C ATOM 1845 CD GLU A 116 -1.991 -9.530 -36.031 1.00 32.44 C ATOM 1846 OE1 GLU A 116 -1.305 -10.483 -35.605 1.00 4.34 O ATOM 1847 OE2 GLU A 116 -1.678 -8.854 -37.032 1.00 63.13 O ATOM 1848 HA GLU A 116 -4.828 -9.333 -33.254 1.00 0.00 H ATOM 1849 HB2 GLU A 116 -3.169 -7.388 -34.139 1.00 0.00 H ATOM 1850 HB3 GLU A 116 -1.971 -8.626 -33.696 1.00 0.00 H ATOM 1851 HG2 GLU A 116 -3.815 -10.097 -35.083 1.00 0.00 H ATOM 1852 HG3 GLU A 116 -3.875 -8.535 -35.933 1.00 0.00 H ATOM 1853 H GLU A 116 -3.912 -7.757 -31.010 1.00 0.00 H ATOM 1854 N LYS A 117 -3.743 -10.296 -30.849 1.00 54.00 N ATOM 1855 CA LYS A 117 -3.171 -11.317 -29.979 1.00 51.32 C ATOM 1856 C LYS A 117 -4.245 -12.287 -29.499 1.00 74.55 C ATOM 1857 O LYS A 117 -4.257 -12.690 -28.337 1.00 1.45 O ATOM 1858 CB LYS A 117 -2.484 -10.665 -28.777 1.00 51.00 C ATOM 1859 CG LYS A 117 -1.190 -9.952 -29.129 1.00 24.52 C ATOM 1860 CD LYS A 117 -0.431 -9.528 -27.883 1.00 5.21 C ATOM 1861 CE LYS A 117 0.786 -10.409 -27.644 1.00 33.23 C ATOM 1862 NZ LYS A 117 1.709 -9.819 -26.635 1.00 51.13 N ATOM 1863 HA LYS A 117 -2.432 -11.876 -30.553 1.00 0.00 H ATOM 1864 HB2 LYS A 117 -3.170 -9.939 -28.340 1.00 0.00 H ATOM 1865 HB3 LYS A 117 -2.262 -11.441 -28.044 1.00 0.00 H ATOM 1866 HG2 LYS A 117 -0.563 -10.624 -29.715 1.00 0.00 H ATOM 1867 HG3 LYS A 117 -1.423 -9.067 -29.721 1.00 0.00 H ATOM 1868 HD2 LYS A 117 -0.103 -8.495 -28.002 1.00 0.00 H ATOM 1869 HD3 LYS A 117 -1.095 -9.600 -27.022 1.00 0.00 H ATOM 1870 HE2 LYS A 117 1.323 -10.531 -28.585 1.00 0.00 H ATOM 1871 HE3 LYS A 117 0.452 -11.384 -27.289 1.00 0.00 H ATOM 1872 HZ1 LYS A 117 2.039 -8.891 -26.969 1.00 0.00 H ATOM 1873 HZ2 LYS A 117 1.206 -9.705 -25.732 1.00 0.00 H ATOM 1874 HZ3 LYS A 117 2.525 -10.450 -26.502 1.00 0.00 H ATOM 1875 H LYS A 117 -4.591 -9.782 -30.537 1.00 0.00 H ATOM 1876 N MET A 118 -5.145 -12.661 -30.403 1.00 55.33 N ATOM 1877 CA MET A 118 -6.222 -13.587 -30.072 1.00 11.22 C ATOM 1878 C MET A 118 -5.664 -14.954 -29.688 1.00 55.14 C ATOM 1879 O MET A 118 -4.583 -15.353 -30.121 1.00 31.33 O ATOM 1880 CB MET A 118 -7.184 -13.728 -31.253 1.00 63.43 C ATOM 1881 CG MET A 118 -7.794 -12.410 -31.701 1.00 72.42 C ATOM 1882 SD MET A 118 -9.430 -12.128 -30.998 1.00 75.32 S ATOM 1883 CE MET A 118 -9.738 -10.443 -31.521 1.00 61.13 C ATOM 1884 HA MET A 118 -6.765 -13.183 -29.218 1.00 0.00 H ATOM 1885 HB2 MET A 118 -6.639 -14.159 -32.093 1.00 0.00 H ATOM 1886 HB3 MET A 118 -7.991 -14.400 -30.962 1.00 0.00 H ATOM 1887 HG2 MET A 118 -7.877 -12.415 -32.788 1.00 0.00 H ATOM 1888 HG3 MET A 118 -7.136 -11.598 -31.392 1.00 0.00 H ATOM 1889 HE1 MET A 118 -8.968 -9.790 -31.110 1.00 0.00 H ATOM 1890 HE2 MET A 118 -9.716 -10.392 -32.610 1.00 0.00 H ATOM 1891 HE3 MET A 118 -10.716 -10.125 -31.161 1.00 0.00 H ATOM 1892 H MET A 118 -5.079 -12.284 -31.370 1.00 0.00 H ATOM 1893 N PRO A 119 -6.418 -15.689 -28.857 1.00 63.43 N ATOM 1894 CA PRO A 119 -6.018 -17.023 -28.398 1.00 12.12 C ATOM 1895 C PRO A 119 -6.065 -18.059 -29.515 1.00 74.34 C ATOM 1896 O PRO A 119 -6.713 -17.851 -30.541 1.00 74.10 O ATOM 1897 CB PRO A 119 -7.054 -17.352 -27.320 1.00 2.44 C ATOM 1898 CG PRO A 119 -8.249 -16.539 -27.682 1.00 5.55 C ATOM 1899 CD PRO A 119 -7.718 -15.276 -28.303 1.00 24.15 C ATOM 1900 HA PRO A 119 -4.989 -17.039 -28.039 1.00 0.00 H ATOM 1901 HD3 PRO A 119 -8.382 -14.919 -29.090 1.00 0.00 H ATOM 1902 HD2 PRO A 119 -7.592 -14.495 -27.553 1.00 0.00 H ATOM 1903 HG3 PRO A 119 -8.834 -16.307 -26.792 1.00 0.00 H ATOM 1904 HG2 PRO A 119 -8.873 -17.079 -28.394 1.00 0.00 H ATOM 1905 HB2 PRO A 119 -7.295 -18.415 -27.330 1.00 0.00 H ATOM 1906 HB3 PRO A 119 -6.684 -17.074 -26.333 1.00 0.00 H ATOM 1907 N SER A 120 -5.375 -19.176 -29.310 1.00 31.53 N ATOM 1908 CA SER A 120 -5.336 -20.244 -30.302 1.00 21.41 C ATOM 1909 C SER A 120 -6.223 -21.411 -29.879 1.00 72.44 C ATOM 1910 O SER A 120 -6.816 -21.398 -28.800 1.00 1.21 O ATOM 1911 CB SER A 120 -3.899 -20.729 -30.504 1.00 42.32 C ATOM 1912 OG SER A 120 -2.993 -19.640 -30.532 1.00 3.43 O ATOM 1913 HA SER A 120 -5.714 -19.845 -31.244 1.00 0.00 H ATOM 1914 HB2 SER A 120 -3.835 -21.270 -31.448 1.00 0.00 H ATOM 1915 HB3 SER A 120 -3.629 -21.396 -29.685 1.00 0.00 H ATOM 1916 HG SER A 120 -2.073 -19.981 -30.664 1.00 0.00 H ATOM 1917 H SER A 120 -4.850 -19.291 -28.420 1.00 0.00 H ATOM 1918 N THR A 121 -6.310 -22.422 -30.739 1.00 12.11 N ATOM 1919 CA THR A 121 -7.125 -23.597 -30.457 1.00 53.22 C ATOM 1920 C THR A 121 -6.669 -24.289 -29.178 1.00 44.01 C ATOM 1921 O THR A 121 -5.472 -24.376 -28.901 1.00 54.12 O ATOM 1922 CB THR A 121 -7.076 -24.606 -31.619 1.00 71.54 C ATOM 1923 OG1 THR A 121 -7.233 -23.924 -32.868 1.00 44.24 O ATOM 1924 CG2 THR A 121 -8.166 -25.657 -31.470 1.00 21.21 C ATOM 1925 HA THR A 121 -8.150 -23.248 -30.332 1.00 0.00 H ATOM 1926 HB THR A 121 -6.107 -25.104 -31.597 1.00 0.00 H ATOM 1927 HG1 THR A 121 -7.200 -24.581 -33.608 1.00 0.00 H ATOM 1928 HG23 THR A 121 -8.043 -26.174 -30.518 1.00 0.00 H ATOM 1929 HG21 THR A 121 -9.142 -25.173 -31.499 1.00 0.00 H ATOM 1930 HG22 THR A 121 -8.091 -26.375 -32.287 1.00 0.00 H ATOM 1931 H THR A 121 -5.784 -22.373 -31.635 1.00 0.00 H ATOM 1932 N SER A 122 -7.629 -24.781 -28.402 1.00 2.24 N ATOM 1933 CA SER A 122 -7.325 -25.463 -27.149 1.00 63.13 C ATOM 1934 C SER A 122 -7.477 -26.973 -27.303 1.00 34.44 C ATOM 1935 O SER A 122 -7.946 -27.460 -28.332 1.00 10.41 O ATOM 1936 CB SER A 122 -8.240 -24.957 -26.033 1.00 34.31 C ATOM 1937 OG SER A 122 -8.943 -23.795 -26.437 1.00 40.11 O ATOM 1938 HA SER A 122 -6.290 -25.244 -26.886 1.00 0.00 H ATOM 1939 HB2 SER A 122 -7.636 -24.721 -25.157 1.00 0.00 H ATOM 1940 HB3 SER A 122 -8.958 -25.737 -25.779 1.00 0.00 H ATOM 1941 HG SER A 122 -9.526 -23.490 -25.698 1.00 0.00 H ATOM 1942 H SER A 122 -8.621 -24.677 -28.695 1.00 0.00 H ATOM 1943 N ARG A 123 -7.078 -27.710 -26.271 1.00 12.22 N ATOM 1944 CA ARG A 123 -7.169 -29.165 -26.290 1.00 41.21 C ATOM 1945 C ARG A 123 -7.954 -29.677 -25.086 1.00 54.41 C ATOM 1946 O ARG A 123 -7.877 -29.130 -23.985 1.00 64.45 O ATOM 1947 CB ARG A 123 -5.770 -29.784 -26.301 1.00 32.23 C ATOM 1948 CG ARG A 123 -5.014 -29.602 -24.995 1.00 23.40 C ATOM 1949 CD ARG A 123 -3.526 -29.866 -25.172 1.00 14.54 C ATOM 1950 NE ARG A 123 -2.862 -28.785 -25.896 1.00 24.34 N ATOM 1951 CZ ARG A 123 -1.542 -28.640 -25.950 1.00 73.10 C ATOM 1952 NH1 ARG A 123 -0.751 -29.502 -25.327 1.00 21.13 N ATOM 1953 NH2 ARG A 123 -1.012 -27.631 -26.629 1.00 72.25 N ATOM 1954 HA ARG A 123 -7.697 -29.459 -27.197 1.00 0.00 H ATOM 1955 HB2 ARG A 123 -5.867 -30.852 -26.498 1.00 0.00 H ATOM 1956 HB3 ARG A 123 -5.194 -29.319 -27.101 1.00 0.00 H ATOM 1957 HG2 ARG A 123 -5.154 -28.580 -24.644 1.00 0.00 H ATOM 1958 HG3 ARG A 123 -5.412 -30.296 -24.255 1.00 0.00 H ATOM 1959 HD2 ARG A 123 -3.396 -30.794 -25.728 1.00 0.00 H ATOM 1960 HD3 ARG A 123 -3.066 -29.966 -24.189 1.00 0.00 H ATOM 1961 HE ARG A 123 -3.454 -28.091 -26.396 1.00 0.00 H ATOM 1962 HH12 ARG A 123 0.282 -29.386 -25.371 1.00 0.00 H ATOM 1963 HH11 ARG A 123 -1.163 -30.294 -24.794 1.00 0.00 H ATOM 1964 HH22 ARG A 123 0.021 -27.518 -26.671 1.00 0.00 H ATOM 1965 HH21 ARG A 123 -1.630 -26.953 -27.119 1.00 0.00 H ATOM 1966 H ARG A 123 -6.691 -27.237 -25.429 1.00 0.00 H ATOM 1967 N PRO A 124 -8.730 -30.750 -25.298 1.00 70.12 N ATOM 1968 CA PRO A 124 -9.545 -31.359 -24.243 1.00 24.15 C ATOM 1969 C PRO A 124 -8.696 -32.059 -23.186 1.00 40.14 C ATOM 1970 O PRO A 124 -7.548 -32.426 -23.440 1.00 31.01 O ATOM 1971 CB PRO A 124 -10.403 -32.376 -24.999 1.00 22.21 C ATOM 1972 CG PRO A 124 -9.611 -32.708 -26.217 1.00 34.44 C ATOM 1973 CD PRO A 124 -8.871 -31.452 -26.585 1.00 31.53 C ATOM 1974 HA PRO A 124 -10.125 -30.616 -23.696 1.00 0.00 H ATOM 1975 HD3 PRO A 124 -7.895 -31.684 -27.012 1.00 0.00 H ATOM 1976 HD2 PRO A 124 -9.444 -30.855 -27.295 1.00 0.00 H ATOM 1977 HG3 PRO A 124 -10.273 -33.010 -27.029 1.00 0.00 H ATOM 1978 HG2 PRO A 124 -8.908 -33.514 -26.004 1.00 0.00 H ATOM 1979 HB2 PRO A 124 -10.568 -33.267 -24.393 1.00 0.00 H ATOM 1980 HB3 PRO A 124 -11.364 -31.941 -25.272 1.00 0.00 H ATOM 1981 N THR A 125 -9.268 -32.242 -22.000 1.00 43.21 N ATOM 1982 CA THR A 125 -8.564 -32.897 -20.905 1.00 65.02 C ATOM 1983 C THR A 125 -8.214 -34.338 -21.260 1.00 42.44 C ATOM 1984 O THR A 125 -8.798 -34.921 -22.173 1.00 44.02 O ATOM 1985 CB THR A 125 -9.402 -32.888 -19.613 1.00 3.11 C ATOM 1986 OG1 THR A 125 -10.616 -32.159 -19.822 1.00 12.31 O ATOM 1987 CG2 THR A 125 -8.621 -32.264 -18.466 1.00 21.41 C ATOM 1988 HA THR A 125 -7.646 -32.333 -20.738 1.00 0.00 H ATOM 1989 HB THR A 125 -9.638 -33.920 -19.352 1.00 0.00 H ATOM 1990 HG1 THR A 125 -11.147 -32.159 -18.987 1.00 0.00 H ATOM 1991 HG23 THR A 125 -7.698 -32.822 -18.311 1.00 0.00 H ATOM 1992 HG21 THR A 125 -8.384 -31.228 -18.710 1.00 0.00 H ATOM 1993 HG22 THR A 125 -9.223 -32.296 -17.558 1.00 0.00 H ATOM 1994 H THR A 125 -10.242 -31.910 -21.850 1.00 0.00 H ATOM 1995 N ALA A 126 -7.258 -34.906 -20.533 1.00 31.33 N ATOM 1996 CA ALA A 126 -6.833 -36.280 -20.770 1.00 22.22 C ATOM 1997 C ALA A 126 -7.783 -37.271 -20.106 1.00 21.20 C ATOM 1998 O ALA A 126 -8.470 -36.954 -19.134 1.00 64.35 O ATOM 1999 CB ALA A 126 -5.413 -36.488 -20.264 1.00 42.22 C ATOM 2000 HA ALA A 126 -6.854 -36.460 -21.845 1.00 0.00 H ATOM 2001 HB1 ALA A 126 -4.739 -35.811 -20.788 1.00 0.00 H ATOM 2002 HB2 ALA A 126 -5.376 -36.283 -19.194 1.00 0.00 H ATOM 2003 HB3 ALA A 126 -5.110 -37.519 -20.448 1.00 0.00 H ATOM 2004 H ALA A 126 -6.802 -34.357 -19.777 1.00 0.00 H ATOM 2005 N PRO A 127 -7.826 -38.500 -20.641 1.00 64.41 N ATOM 2006 CA PRO A 127 -8.688 -39.563 -20.116 1.00 14.21 C ATOM 2007 C PRO A 127 -8.225 -40.066 -18.753 1.00 43.41 C ATOM 2008 O PRO A 127 -9.034 -40.497 -17.932 1.00 1.22 O ATOM 2009 CB PRO A 127 -8.565 -40.671 -21.165 1.00 13.30 C ATOM 2010 CG PRO A 127 -7.243 -40.437 -21.809 1.00 65.12 C ATOM 2011 CD PRO A 127 -7.034 -38.948 -21.800 1.00 14.14 C ATOM 2012 HA PRO A 127 -9.710 -39.218 -19.959 1.00 0.00 H ATOM 2013 HD3 PRO A 127 -5.980 -38.702 -21.671 1.00 0.00 H ATOM 2014 HD2 PRO A 127 -7.401 -38.497 -22.722 1.00 0.00 H ATOM 2015 HG3 PRO A 127 -7.248 -40.813 -22.832 1.00 0.00 H ATOM 2016 HG2 PRO A 127 -6.454 -40.934 -21.245 1.00 0.00 H ATOM 2017 HB2 PRO A 127 -8.594 -41.653 -20.693 1.00 0.00 H ATOM 2018 HB3 PRO A 127 -9.368 -40.598 -21.898 1.00 0.00 H ATOM 2019 N SER A 128 -6.918 -40.007 -18.519 1.00 64.02 N ATOM 2020 CA SER A 128 -6.346 -40.460 -17.256 1.00 41.15 C ATOM 2021 C SER A 128 -6.956 -39.702 -16.081 1.00 60.02 C ATOM 2022 O SER A 128 -7.855 -38.880 -16.258 1.00 31.12 O ATOM 2023 CB SER A 128 -4.827 -40.275 -17.264 1.00 53.23 C ATOM 2024 OG SER A 128 -4.468 -38.985 -16.801 1.00 14.43 O ATOM 2025 HA SER A 128 -6.575 -41.519 -17.141 1.00 0.00 H ATOM 2026 HB2 SER A 128 -4.458 -40.404 -18.281 1.00 0.00 H ATOM 2027 HB3 SER A 128 -4.373 -41.025 -16.616 1.00 0.00 H ATOM 2028 HG SER A 128 -3.482 -38.893 -16.816 1.00 0.00 H ATOM 2029 H SER A 128 -6.288 -39.629 -19.255 1.00 0.00 H ATOM 2030 N SER A 129 -6.460 -39.985 -14.881 1.00 62.20 N ATOM 2031 CA SER A 129 -6.958 -39.334 -13.675 1.00 63.10 C ATOM 2032 C SER A 129 -6.282 -37.982 -13.469 1.00 40.34 C ATOM 2033 O SER A 129 -5.108 -37.912 -13.108 1.00 1.20 O ATOM 2034 CB SER A 129 -6.722 -40.226 -12.454 1.00 40.42 C ATOM 2035 OG SER A 129 -7.863 -41.017 -12.172 1.00 54.35 O ATOM 2036 HA SER A 129 -8.029 -39.171 -13.796 1.00 0.00 H ATOM 2037 HB2 SER A 129 -6.502 -39.598 -11.591 1.00 0.00 H ATOM 2038 HB3 SER A 129 -5.874 -40.882 -12.650 1.00 0.00 H ATOM 2039 HG SER A 129 -7.683 -41.583 -11.380 1.00 0.00 H ATOM 2040 H SER A 129 -5.698 -40.688 -14.800 1.00 0.00 H ATOM 2041 N GLU A 130 -7.033 -36.910 -13.703 1.00 34.22 N ATOM 2042 CA GLU A 130 -6.507 -35.560 -13.544 1.00 41.42 C ATOM 2043 C GLU A 130 -7.488 -34.680 -12.775 1.00 55.02 C ATOM 2044 O GLU A 130 -7.905 -33.626 -13.257 1.00 23.03 O ATOM 2045 CB GLU A 130 -6.212 -34.939 -14.912 1.00 34.34 C ATOM 2046 CG GLU A 130 -5.171 -33.834 -14.867 1.00 10.22 C ATOM 2047 CD GLU A 130 -3.773 -34.337 -15.167 1.00 65.11 C ATOM 2048 OE1 GLU A 130 -3.346 -35.320 -14.525 1.00 41.12 O ATOM 2049 OE2 GLU A 130 -3.105 -33.749 -16.043 1.00 41.20 O ATOM 2050 HA GLU A 130 -5.580 -35.624 -12.974 1.00 0.00 H ATOM 2051 HB2 GLU A 130 -5.853 -35.724 -15.577 1.00 0.00 H ATOM 2052 HB3 GLU A 130 -7.138 -34.524 -15.309 1.00 0.00 H ATOM 2053 HG2 GLU A 130 -5.435 -33.075 -15.604 1.00 0.00 H ATOM 2054 HG3 GLU A 130 -5.176 -33.389 -13.872 1.00 0.00 H ATOM 2055 H GLU A 130 -8.019 -37.038 -14.007 1.00 0.00 H ATOM 2056 N LYS A 131 -7.855 -35.121 -11.577 1.00 11.14 N ATOM 2057 CA LYS A 131 -8.787 -34.375 -10.739 1.00 21.53 C ATOM 2058 C LYS A 131 -8.179 -34.091 -9.369 1.00 31.32 C ATOM 2059 O LYS A 131 -8.424 -34.818 -8.407 1.00 71.53 O ATOM 2060 CB LYS A 131 -10.094 -35.154 -10.577 1.00 33.24 C ATOM 2061 CG LYS A 131 -11.167 -34.391 -9.819 1.00 51.13 C ATOM 2062 CD LYS A 131 -12.073 -33.618 -10.763 1.00 42.21 C ATOM 2063 CE LYS A 131 -13.389 -34.344 -10.992 1.00 72.44 C ATOM 2064 NZ LYS A 131 -13.177 -35.743 -11.458 1.00 30.04 N ATOM 2065 HA LYS A 131 -8.996 -33.424 -11.228 1.00 0.00 H ATOM 2066 HB2 LYS A 131 -10.477 -35.395 -11.569 1.00 0.00 H ATOM 2067 HB3 LYS A 131 -9.881 -36.077 -10.038 1.00 0.00 H ATOM 2068 HG2 LYS A 131 -11.770 -35.098 -9.249 1.00 0.00 H ATOM 2069 HG3 LYS A 131 -10.688 -33.691 -9.135 1.00 0.00 H ATOM 2070 HD2 LYS A 131 -12.279 -32.638 -10.333 1.00 0.00 H ATOM 2071 HD3 LYS A 131 -11.565 -33.494 -11.720 1.00 0.00 H ATOM 2072 HE2 LYS A 131 -13.963 -33.804 -11.745 1.00 0.00 H ATOM 2073 HE3 LYS A 131 -13.948 -34.365 -10.057 1.00 0.00 H ATOM 2074 HZ1 LYS A 131 -12.650 -35.732 -12.354 1.00 0.00 H ATOM 2075 HZ2 LYS A 131 -12.635 -36.267 -10.742 1.00 0.00 H ATOM 2076 HZ3 LYS A 131 -14.099 -36.203 -11.602 1.00 0.00 H ATOM 2077 H LYS A 131 -7.468 -36.021 -11.228 1.00 0.00 H ATOM 2078 N GLY A 132 -7.386 -33.027 -9.287 1.00 62.24 N ATOM 2079 CA GLY A 132 -6.757 -32.665 -8.031 1.00 22.34 C ATOM 2080 C GLY A 132 -6.521 -31.173 -7.909 1.00 10.11 C ATOM 2081 O GLY A 132 -5.618 -30.627 -8.540 1.00 43.54 O ATOM 2082 HA3 GLY A 132 -5.798 -33.178 -7.959 1.00 0.00 H ATOM 2083 HA2 GLY A 132 -7.401 -32.985 -7.212 1.00 0.00 H ATOM 2084 H GLY A 132 -7.215 -32.447 -10.133 1.00 0.00 H ATOM 2085 N GLY A 133 -7.338 -30.511 -7.095 1.00 5.42 N ATOM 2086 CA GLY A 133 -7.198 -29.078 -6.909 1.00 31.12 C ATOM 2087 C GLY A 133 -8.333 -28.486 -6.097 1.00 41.30 C ATOM 2088 O GLY A 133 -9.501 -28.787 -6.339 1.00 41.30 O ATOM 2089 HA3 GLY A 133 -7.180 -28.598 -7.887 1.00 0.00 H ATOM 2090 HA2 GLY A 133 -6.258 -28.882 -6.392 1.00 0.00 H ATOM 2091 H GLY A 133 -8.085 -31.025 -6.586 1.00 0.00 H ATOM 2092 N ASN A 134 -7.989 -27.642 -5.130 1.00 3.24 N ATOM 2093 CA ASN A 134 -8.988 -27.007 -4.278 1.00 21.35 C ATOM 2094 C ASN A 134 -9.360 -25.627 -4.810 1.00 44.22 C ATOM 2095 O ASN A 134 -8.594 -25.009 -5.551 1.00 11.25 O ATOM 2096 CB ASN A 134 -8.466 -26.890 -2.844 1.00 44.43 C ATOM 2097 CG ASN A 134 -7.134 -26.168 -2.772 1.00 2.23 C ATOM 2098 OD1 ASN A 134 -7.072 -24.943 -2.882 1.00 71.21 O ATOM 2099 ND2 ASN A 134 -6.060 -26.926 -2.585 1.00 44.15 N ATOM 2100 HA ASN A 134 -9.882 -27.631 -4.282 1.00 0.00 H ATOM 2101 HB2 ASN A 134 -9.195 -26.340 -2.249 1.00 0.00 H ATOM 2102 HB3 ASN A 134 -8.344 -27.892 -2.432 1.00 0.00 H ATOM 2103 HD22 ASN A 134 -6.160 -27.957 -2.498 1.00 0.00 H ATOM 2104 HD21 ASN A 134 -5.118 -26.488 -2.526 1.00 0.00 H ATOM 2105 H ASN A 134 -6.983 -27.429 -4.977 1.00 0.00 H ATOM 2106 N TYR A 135 -10.539 -25.149 -4.428 1.00 63.20 N ATOM 2107 CA TYR A 135 -11.013 -23.843 -4.868 1.00 52.32 C ATOM 2108 C TYR A 135 -10.097 -22.732 -4.364 1.00 64.14 C ATOM 2109 O TYR A 135 -10.052 -22.486 -3.160 1.00 71.20 O ATOM 2110 CB TYR A 135 -12.441 -23.603 -4.376 1.00 34.11 C ATOM 2111 CG TYR A 135 -13.430 -24.641 -4.858 1.00 11.42 C ATOM 2112 CD1 TYR A 135 -13.459 -25.035 -6.190 1.00 24.53 C ATOM 2113 CD2 TYR A 135 -14.336 -25.225 -3.982 1.00 32.32 C ATOM 2114 CE1 TYR A 135 -14.361 -25.983 -6.635 1.00 5.42 C ATOM 2115 CE2 TYR A 135 -15.241 -26.174 -4.418 1.00 24.23 C ATOM 2116 CZ TYR A 135 -15.249 -26.549 -5.745 1.00 70.30 C ATOM 2117 OH TYR A 135 -16.149 -27.493 -6.183 1.00 73.15 O ATOM 2118 HA TYR A 135 -11.004 -23.830 -5.958 1.00 0.00 H ATOM 2119 HB3 TYR A 135 -12.768 -22.625 -4.729 1.00 0.00 H ATOM 2120 HB2 TYR A 135 -12.436 -23.611 -3.286 1.00 0.00 H ATOM 2121 HD2 TYR A 135 -14.333 -24.930 -2.933 1.00 0.00 H ATOM 2122 HE2 TYR A 135 -15.944 -26.623 -3.717 1.00 0.00 H ATOM 2123 HE1 TYR A 135 -14.370 -26.281 -7.683 1.00 0.00 H ATOM 2124 HD1 TYR A 135 -12.759 -24.589 -6.896 1.00 0.00 H ATOM 2125 HH TYR A 135 -16.021 -27.645 -7.153 1.00 0.00 H ATOM 2126 H TYR A 135 -11.139 -25.721 -3.799 1.00 0.00 H TER 2127 TYR A 135 HETATM 2128 P1 PBU A 1 9.389 -12.688 3.339 1.00 0.26 P HETATM 2129 O1 PBU A 1 8.904 -12.748 1.741 1.00 -0.25 O HETATM 2130 C1 PBU A 1 7.682 -13.373 1.053 1.00 0.15 C HETATM 2131 C2 PBU A 1 6.942 -14.481 1.877 1.00 0.12 C HETATM 2132 O2 PBU A 1 7.799 -15.547 2.276 1.00 -0.39 O HETATM 2133 H8 PBU A 1 8.499 -15.203 2.819 1.00 0.21 H HETATM 2134 C3 PBU A 1 5.761 -15.062 1.067 1.00 0.12 C HETATM 2135 O3 PBU A 1 5.132 -16.070 1.871 1.00 -0.39 O HETATM 2136 H10 PBU A 1 5.762 -16.752 2.072 1.00 0.21 H HETATM 2137 C4 PBU A 1 6.243 -15.631 -0.323 1.00 0.15 C HETATM 2138 O4 PBU A 1 5.045 -16.144 -1.102 1.00 -0.27 O HETATM 2139 P4 PBU A 1 4.179 -15.464 -2.354 1.00 0.20 P HETATM 2140 O41 PBU A 1 3.057 -16.495 -2.445 1.00 -0.55 O HETATM 2141 O42 PBU A 1 3.747 -14.111 -1.857 1.00 -0.55 O HETATM 2142 O43 PBU A 1 5.061 -15.343 -3.586 1.00 -0.55 O HETATM 2143 C5 PBU A 1 6.976 -14.477 -1.116 1.00 0.15 C HETATM 2144 O5 PBU A 1 7.476 -15.023 -2.380 1.00 -0.27 O HETATM 2145 P5 PBU A 1 7.991 -14.337 -3.788 1.00 0.20 P HETATM 2146 O51 PBU A 1 8.060 -15.561 -4.678 1.00 -0.55 O HETATM 2147 O52 PBU A 1 6.914 -13.307 -4.091 1.00 -0.55 O HETATM 2148 O53 PBU A 1 9.338 -13.759 -3.419 1.00 -0.55 O HETATM 2149 C6 PBU A 1 8.161 -13.871 -0.323 1.00 0.12 C HETATM 2150 O6 PBU A 1 8.749 -12.748 -0.996 1.00 -0.39 O HETATM 2151 H14 PBU A 1 9.073 -13.023 -1.845 1.00 0.21 H HETATM 2152 H13 PBU A 1 8.925 -14.650 -0.187 1.00 0.07 H HETATM 2153 H12 PBU A 1 6.250 -13.678 -1.326 1.00 0.07 H HETATM 2154 H11 PBU A 1 6.946 -16.460 -0.157 1.00 0.07 H HETATM 2155 H9 PBU A 1 5.034 -14.260 0.873 1.00 0.07 H HETATM 2156 H7 PBU A 1 6.542 -14.009 2.786 1.00 0.07 H HETATM 2157 H6 PBU A 1 6.949 -12.570 0.888 1.00 0.07 H HETATM 2158 OP1 PBU A 1 10.166 -11.418 3.516 1.00 -0.25 O HETATM 2159 C3' PBU A 1 9.681 -10.229 2.927 1.00 0.12 C HETATM 2160 C2' PBU A 1 10.215 -10.050 1.484 1.00 0.14 C HETATM 2161 O2' PBU A 1 9.205 -10.456 0.575 1.00 -0.27 O HETATM 2162 C7 PBU A 1 8.101 -9.587 0.395 1.00 0.23 C HETATM 2163 O7 PBU A 1 6.998 -9.910 0.777 1.00 -0.37 O HETATM 2164 C8 PBU A 1 8.309 -8.218 -0.274 1.00 0.05 C HETATM 2165 C9 PBU A 1 7.079 -7.848 -1.123 1.00 -0.04 C HETATM 2166 C10 PBU A 1 6.771 -8.993 -2.105 1.00 -0.06 C HETATM 2167 H19 PBU A 1 5.892 -8.729 -2.712 1.00 0.02 H HETATM 2168 H20 PBU A 1 6.564 -9.914 -1.541 1.00 0.02 H HETATM 2169 H21 PBU A 1 7.637 -9.154 -2.764 1.00 0.02 H HETATM 2170 H17 PBU A 1 7.286 -6.927 -1.687 1.00 0.03 H HETATM 2171 H18 PBU A 1 6.213 -7.687 -0.464 1.00 0.03 H HETATM 2172 H15 PBU A 1 9.197 -8.261 -0.921 1.00 0.05 H HETATM 2173 H16 PBU A 1 8.458 -7.453 0.502 1.00 0.05 H HETATM 2174 C1' PBU A 1 11.490 -10.892 1.230 1.00 0.11 C HETATM 2175 O1' PBU A 1 12.429 -10.635 2.253 1.00 -0.27 O HETATM 2176 C11 PBU A 1 13.795 -10.422 1.977 1.00 0.23 C HETATM 2177 O11 PBU A 1 14.217 -9.634 1.152 1.00 -0.37 O HETATM 2178 C12 PBU A 1 14.783 -11.322 2.770 1.00 0.05 C HETATM 2179 C13 PBU A 1 16.245 -11.168 2.320 1.00 -0.04 C HETATM 2180 C14 PBU A 1 17.028 -10.254 3.279 1.00 -0.06 C HETATM 2181 H26 PBU A 1 18.068 -10.163 2.932 1.00 0.02 H HETATM 2182 H27 PBU A 1 17.015 -10.687 4.290 1.00 0.02 H HETATM 2183 H28 PBU A 1 16.560 -9.259 3.300 1.00 0.02 H HETATM 2184 H24 PBU A 1 16.266 -10.731 1.311 1.00 0.03 H HETATM 2185 H25 PBU A 1 16.721 -12.159 2.300 1.00 0.03 H HETATM 2186 H22 PBU A 1 14.485 -12.372 2.633 1.00 0.05 H HETATM 2187 H23 PBU A 1 14.717 -11.058 3.836 1.00 0.05 H HETATM 2188 H4 PBU A 1 11.923 -10.619 0.256 1.00 0.06 H HETATM 2189 H5 PBU A 1 11.231 -11.961 1.229 1.00 0.06 H HETATM 2190 H3 PBU A 1 10.452 -8.988 1.320 1.00 0.07 H HETATM 2191 H1 PBU A 1 8.582 -10.267 2.899 1.00 0.07 H HETATM 2192 H2 PBU A 1 10.003 -9.371 3.536 1.00 0.07 H HETATM 2193 OP2 PBU A 1 8.065 -12.714 4.107 1.00 -0.62 O HETATM 2194 OP3 PBU A 1 10.294 -13.883 3.487 1.00 -0.62 O CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2128 2129 2158 2193 2194 CONECT 2129 2128 2130 CONECT 2130 2129 2131 2149 2157 CONECT 2131 2130 2132 2134 2156 CONECT 2132 2131 2133 CONECT 2133 2132 CONECT 2134 2131 2135 2137 2155 CONECT 2135 2134 2136 CONECT 2136 2135 CONECT 2137 2134 2138 2143 2154 CONECT 2138 2137 2139 CONECT 2139 2138 2140 2141 2142 CONECT 2140 2139 CONECT 2141 2139 CONECT 2142 2139 CONECT 2143 2137 2144 2149 2153 CONECT 2144 2143 2145 CONECT 2145 2144 2146 2147 2148 CONECT 2146 2145 CONECT 2147 2145 CONECT 2148 2145 CONECT 2149 2130 2143 2150 2152 CONECT 2150 2149 2151 CONECT 2151 2150 CONECT 2152 2149 CONECT 2153 2143 CONECT 2154 2137 CONECT 2155 2134 CONECT 2156 2131 CONECT 2157 2130 CONECT 2158 2128 2159 CONECT 2159 2158 2160 2191 2192 CONECT 2160 2159 2161 2174 2190 CONECT 2161 2160 2162 CONECT 2162 2161 2163 2164 CONECT 2163 2162 CONECT 2164 2162 2165 2172 2173 CONECT 2165 2164 2166 2170 2171 CONECT 2166 2165 2167 2168 2169 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2166 CONECT 2170 2165 CONECT 2171 2165 CONECT 2172 2164 CONECT 2173 2164 CONECT 2174 2160 2175 2188 2189 CONECT 2175 2174 2176 CONECT 2176 2175 2177 2178 CONECT 2177 2176 CONECT 2178 2176 2179 2186 2187 CONECT 2179 2178 2180 2184 2185 CONECT 2180 2179 2181 2182 2183 CONECT 2181 2180 CONECT 2182 2180 CONECT 2183 2180 CONECT 2184 2179 CONECT 2185 2179 CONECT 2186 2178 CONECT 2187 2178 CONECT 2188 2174 CONECT 2189 2174 CONECT 2190 2160 CONECT 2191 2159 CONECT 2192 2159 CONECT 2193 2128 CONECT 2194 2128 MASTER 0 0 0 0 0 0 0 0 2193 1 71 11 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 2k4i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2k4i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-2 myristoylated matrix protein
Ligand Name
PBU
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=143uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 382: pp. 434-447
Ligand Properties
Formula
C
1
7
H
3
6
O
1
9
P
3
Molecular Weight
637.378
Exact Mass
637.106
No. of atoms
75
No. of bonds
75
Polar Surface Area
352.82
LOGP Value
-5.36 (
Computed with XLOGP3
)
-2.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 1
Canonical SMILES
CCCC(=O)O[C@@H](COP(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(O)(O)O)OP(O)(O)O)(O)O)COC(=O)CCC
InChI String
InChI=1S/C17H39O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-30,37-39H,3-8H2,1-2H3/t9-,12-,13+,14+,15-,16-,17-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P04584
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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