Browse entries in the PDBbind-CN Database
HEADER 5MYD_COMPLEX COMPND 5MYD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 160 MET THR ASN THR LEU THR THR ASP GLN LEU GLN GLU LEU SEQRES 2 A 160 LEU GLN ILE GLN LYS GLU PHE ASP ASP ARG ILE PRO THR SEQRES 3 A 160 LEU ASN LEU GLY ASP SER LYS ILE ALA TYR VAL VAL GLU SEQRES 4 A 160 PHE PHE GLU TRP PHE ASN THR LEU GLU THR PHE LYS ASN SEQRES 5 A 160 TRP LYS LYS LYS PRO GLY LYS PRO LEU ASP VAL GLN LEU SEQRES 6 A 160 ASP GLU LEU ALA ASP ILE LEU ALA PHE GLY LEU SER ILE SEQRES 7 A 160 ALA ASN GLN GLN GLY PHE GLU GLU TYR ASP ARG ASP LEU SEQRES 8 A 160 PHE PHE GLU SER PHE ASP GLU GLU TYR PHE LEU ASP PHE SEQRES 9 A 160 PRO TYR LEU ARG ASN GLN ASP MET ILE TYR ASP MET MET SEQRES 10 A 160 SER GLU PHE TYR ASP ASP ASP LEU THR SER ILE ARG ARG SEQRES 11 A 160 LEU VAL ILE VAL PHE LYS ILE ALA GLU GLN LEU TYR THR SEQRES 12 A 160 ILE ASP GLN LEU ILE ASP ALA TYR LYS LYS LYS MET LYS SEQRES 13 A 160 ARG ASN HIS GLU HET MG A 1 1 HET MG A 2 1 HET DUP A 219 40 ATOM 1 N MET A 1 -4.835 50.395 20.127 1.00 57.05 N ATOM 2 CA MET A 1 -4.573 51.845 19.795 1.00 55.22 C ATOM 3 C MET A 1 -4.285 52.711 20.998 1.00 57.99 C ATOM 4 O MET A 1 -4.580 53.915 21.019 1.00 58.10 O ATOM 5 CB MET A 1 -5.773 52.456 19.075 1.00 54.67 C ATOM 6 CG MET A 1 -5.778 52.190 17.590 1.00 54.55 C ATOM 7 SD MET A 1 -6.736 53.402 16.690 1.00 53.18 S ATOM 8 CE MET A 1 -6.199 55.007 17.241 1.00 50.19 C ATOM 9 HN3 MET A 1 -5.660 50.328 20.757 1.00 0.00 H ATOM 10 HN2 MET A 1 -4.001 49.993 20.601 1.00 0.00 H ATOM 11 HN1 MET A 1 -5.024 49.868 19.250 1.00 0.00 H ATOM 12 N THR A 2 -3.645 52.121 21.989 1.00 62.83 N ATOM 13 CA THR A 2 -3.633 52.727 23.302 1.00 62.99 C ATOM 14 C THR A 2 -2.539 53.747 23.467 1.00 59.46 C ATOM 15 O THR A 2 -2.386 54.274 24.551 1.00 51.72 O ATOM 16 CB THR A 2 -3.436 51.669 24.392 1.00 68.80 C ATOM 17 OG1 THR A 2 -2.145 51.073 24.232 1.00 66.22 O ATOM 18 CG2 THR A 2 -4.544 50.627 24.270 1.00 71.24 C ATOM 19 HG1 THR A 2 -2.010 50.388 24.933 1.00 0.00 H ATOM 20 H THR A 2 -3.150 51.221 21.826 1.00 0.00 H ATOM 21 N ASN A 3 -1.816 54.054 22.397 1.00 57.11 N ATOM 22 CA ASN A 3 -0.660 54.896 22.517 1.00 53.82 C ATOM 23 C ASN A 3 -0.587 55.954 21.415 1.00 53.41 C ATOM 24 O ASN A 3 0.446 56.152 20.793 1.00 57.45 O ATOM 25 CB ASN A 3 0.566 53.985 22.542 1.00 50.64 C ATOM 26 CG ASN A 3 1.759 54.647 23.176 1.00 49.94 C ATOM 27 OD1 ASN A 3 1.624 55.641 23.874 1.00 48.43 O ATOM 28 ND2 ASN A 3 2.933 54.098 22.940 1.00 54.92 N ATOM 29 HD22 ASN A 3 3.000 53.252 22.339 1.00 0.00 H ATOM 30 HD21 ASN A 3 3.793 54.511 23.354 1.00 0.00 H ATOM 31 H ASN A 3 -2.089 53.682 21.465 1.00 0.00 H ATOM 32 N THR A 4 -1.716 56.631 21.214 1.00 60.86 N ATOM 33 CA THR A 4 -1.857 57.749 20.294 1.00 61.39 C ATOM 34 C THR A 4 -2.719 58.806 21.000 1.00 59.48 C ATOM 35 O THR A 4 -3.456 58.491 21.934 1.00 61.09 O ATOM 36 CB THR A 4 -2.544 57.327 18.992 1.00 64.96 C ATOM 37 OG1 THR A 4 -3.900 56.973 19.274 1.00 80.50 O ATOM 38 CG2 THR A 4 -1.821 56.149 18.347 1.00 61.20 C ATOM 39 HG1 THR A 4 -4.370 57.753 19.662 1.00 0.00 H ATOM 40 H THR A 4 -2.556 56.340 21.753 1.00 0.00 H ATOM 41 N LEU A 5 -2.569 60.062 20.598 1.00 57.77 N ATOM 42 CA LEU A 5 -3.290 61.168 21.205 1.00 53.01 C ATOM 43 C LEU A 5 -4.078 61.869 20.122 1.00 51.21 C ATOM 44 O LEU A 5 -3.507 62.276 19.119 1.00 50.58 O ATOM 45 CB LEU A 5 -2.320 62.154 21.844 1.00 48.37 C ATOM 46 CG LEU A 5 -2.927 63.368 22.558 1.00 51.23 C ATOM 47 CD1 LEU A 5 -3.738 62.958 23.784 1.00 52.53 C ATOM 48 CD2 LEU A 5 -1.813 64.331 22.950 1.00 51.46 C ATOM 49 H LEU A 5 -1.910 60.262 19.819 1.00 0.00 H ATOM 50 N THR A 6 -5.383 62.018 20.327 1.00 53.64 N ATOM 51 CA THR A 6 -6.234 62.733 19.375 1.00 54.25 C ATOM 52 C THR A 6 -6.447 64.148 19.854 1.00 51.65 C ATOM 53 O THR A 6 -6.242 64.461 21.038 1.00 49.88 O ATOM 54 CB THR A 6 -7.598 62.064 19.216 1.00 57.44 C ATOM 55 OG1 THR A 6 -8.342 62.220 20.432 1.00 65.10 O ATOM 56 CG2 THR A 6 -7.441 60.589 18.888 1.00 58.18 C ATOM 57 HG1 THR A 6 -7.847 61.796 21.177 1.00 0.00 H ATOM 58 H THR A 6 -5.810 61.616 21.186 1.00 0.00 H ATOM 59 N THR A 7 -6.908 64.983 18.937 1.00 57.40 N ATOM 60 CA THR A 7 -7.215 66.377 19.236 1.00 65.06 C ATOM 61 C THR A 7 -8.362 66.478 20.264 1.00 65.51 C ATOM 62 O THR A 7 -8.358 67.388 21.093 1.00 73.16 O ATOM 63 CB THR A 7 -7.583 67.197 17.961 1.00 66.27 C ATOM 64 OG1 THR A 7 -6.907 66.683 16.797 1.00 68.17 O ATOM 65 CG2 THR A 7 -7.201 68.671 18.140 1.00 66.49 C ATOM 66 HG1 THR A 7 -7.159 67.222 16.006 1.00 0.00 H ATOM 67 H THR A 7 -7.057 64.633 17.969 1.00 0.00 H ATOM 68 N ASP A 8 -9.319 65.552 20.216 1.00 62.62 N ATOM 69 CA ASP A 8 -10.402 65.508 21.210 1.00 72.03 C ATOM 70 C ASP A 8 -9.883 65.189 22.626 1.00 65.82 C ATOM 71 O ASP A 8 -10.281 65.823 23.607 1.00 61.01 O ATOM 72 CB ASP A 8 -11.505 64.518 20.771 1.00 77.19 C ATOM 73 H ASP A 8 -9.300 64.842 19.456 1.00 0.00 H ATOM 74 N GLN A 9 -8.997 64.208 22.728 1.00 62.68 N ATOM 75 CA GLN A 9 -8.359 63.890 24.008 1.00 64.76 C ATOM 76 C GLN A 9 -7.584 65.086 24.564 1.00 63.32 C ATOM 77 O GLN A 9 -7.737 65.438 25.739 1.00 64.34 O ATOM 78 CB GLN A 9 -7.415 62.710 23.865 1.00 62.84 C ATOM 79 CG GLN A 9 -8.108 61.398 23.581 1.00 75.43 C ATOM 80 CD GLN A 9 -7.108 60.281 23.417 1.00 77.82 C ATOM 81 OE1 GLN A 9 -6.329 60.269 22.461 1.00 78.77 O ATOM 82 NE2 GLN A 9 -7.112 59.339 24.351 1.00 79.71 N ATOM 83 HE22 GLN A 9 -7.788 59.391 25.139 1.00 0.00 H ATOM 84 HE21 GLN A 9 -6.439 58.548 24.295 1.00 0.00 H ATOM 85 H GLN A 9 -8.750 63.654 21.883 1.00 0.00 H ATOM 86 N LEU A 10 -6.770 65.718 23.725 1.00 55.42 N ATOM 87 CA LEU A 10 -6.018 66.897 24.163 1.00 53.40 C ATOM 88 C LEU A 10 -6.956 67.999 24.647 1.00 53.25 C ATOM 89 O LEU A 10 -6.727 68.607 25.688 1.00 55.22 O ATOM 90 CB LEU A 10 -5.105 67.420 23.054 1.00 51.64 C ATOM 91 CG LEU A 10 -4.274 68.663 23.387 1.00 52.25 C ATOM 92 CD1 LEU A 10 -3.321 68.417 24.551 1.00 50.11 C ATOM 93 CD2 LEU A 10 -3.506 69.116 22.159 1.00 54.14 C ATOM 94 H LEU A 10 -6.666 65.373 22.749 1.00 0.00 H ATOM 95 N GLN A 11 -8.026 68.254 23.905 1.00 53.20 N ATOM 96 CA GLN A 11 -9.002 69.283 24.310 1.00 55.49 C ATOM 97 C GLN A 11 -9.770 68.986 25.603 1.00 54.81 C ATOM 98 O GLN A 11 -10.088 69.912 26.382 1.00 57.88 O ATOM 99 CB GLN A 11 -10.035 69.524 23.201 1.00 62.42 C ATOM 100 CG GLN A 11 -9.470 70.365 22.081 1.00 66.21 C ATOM 101 CD GLN A 11 -10.442 70.545 20.950 1.00 72.10 C ATOM 102 OE1 GLN A 11 -11.356 71.350 21.052 1.00 74.67 O ATOM 103 NE2 GLN A 11 -10.240 69.818 19.864 1.00 72.11 N ATOM 104 HE22 GLN A 11 -9.447 69.146 19.828 1.00 0.00 H ATOM 105 HE21 GLN A 11 -10.874 69.918 19.046 1.00 0.00 H ATOM 106 H GLN A 11 -8.179 67.721 23.025 1.00 0.00 H ATOM 107 N GLU A 12 -10.102 67.707 25.809 1.00 52.36 N ATOM 108 CA GLU A 12 -10.686 67.265 27.083 1.00 53.82 C ATOM 109 C GLU A 12 -9.705 67.508 28.245 1.00 50.29 C ATOM 110 O GLU A 12 -10.100 68.054 29.274 1.00 49.89 O ATOM 111 CB GLU A 12 -11.046 65.782 27.034 1.00 60.37 C ATOM 112 CG GLU A 12 -11.816 65.313 28.263 1.00 68.22 C ATOM 113 CD GLU A 12 -12.067 63.823 28.274 1.00 76.54 C ATOM 114 OE1 GLU A 12 -11.095 63.045 28.151 1.00 80.93 O ATOM 115 OE2 GLU A 12 -13.240 63.423 28.431 1.00100.15 O ATOM 116 H GLU A 12 -9.944 67.011 25.052 1.00 0.00 H ATOM 117 N LEU A 13 -8.429 67.131 28.054 1.00 45.54 N ATOM 118 CA LEU A 13 -7.385 67.347 29.091 1.00 44.81 C ATOM 119 C LEU A 13 -7.246 68.821 29.437 1.00 46.64 C ATOM 120 O LEU A 13 -7.251 69.176 30.611 1.00 45.18 O ATOM 121 CB LEU A 13 -6.040 66.803 28.644 1.00 41.61 C ATOM 122 CG LEU A 13 -5.975 65.292 28.452 1.00 42.37 C ATOM 123 CD1 LEU A 13 -4.644 64.926 27.836 1.00 43.52 C ATOM 124 CD2 LEU A 13 -6.212 64.551 29.744 1.00 42.72 C ATOM 125 H LEU A 13 -8.165 66.676 27.157 1.00 0.00 H ATOM 126 N LEU A 14 -7.240 69.680 28.410 1.00 51.40 N ATOM 127 CA LEU A 14 -7.169 71.129 28.641 1.00 51.70 C ATOM 128 C LEU A 14 -8.379 71.642 29.423 1.00 49.51 C ATOM 129 O LEU A 14 -8.218 72.478 30.325 1.00 47.71 O ATOM 130 CB LEU A 14 -7.035 71.901 27.331 1.00 50.26 C ATOM 131 CG LEU A 14 -5.717 71.676 26.587 1.00 48.65 C ATOM 132 CD1 LEU A 14 -5.861 72.116 25.136 1.00 49.58 C ATOM 133 CD2 LEU A 14 -4.545 72.385 27.263 1.00 48.95 C ATOM 134 H LEU A 14 -7.286 69.317 27.437 1.00 0.00 H ATOM 135 N GLN A 15 -9.552 71.086 29.133 1.00 50.07 N ATOM 136 CA GLN A 15 -10.788 71.471 29.826 1.00 53.49 C ATOM 137 C GLN A 15 -10.790 70.998 31.291 1.00 52.94 C ATOM 138 O GLN A 15 -11.149 71.763 32.203 1.00 54.03 O ATOM 139 CB GLN A 15 -12.010 70.930 29.065 1.00 58.87 C ATOM 140 CG GLN A 15 -13.368 71.433 29.557 1.00 66.53 C ATOM 141 CD GLN A 15 -13.480 72.950 29.543 1.00 70.18 C ATOM 142 OE1 GLN A 15 -12.910 73.616 28.672 1.00 78.47 O ATOM 143 NE2 GLN A 15 -14.193 73.505 30.520 1.00 74.89 N ATOM 144 HE22 GLN A 15 -14.656 72.904 31.232 1.00 0.00 H ATOM 145 HE21 GLN A 15 -14.288 74.539 30.572 1.00 0.00 H ATOM 146 H GLN A 15 -9.595 70.356 28.393 1.00 0.00 H ATOM 147 N ILE A 16 -10.395 69.746 31.522 1.00 51.32 N ATOM 148 CA ILE A 16 -10.214 69.247 32.892 1.00 55.39 C ATOM 149 C ILE A 16 -9.266 70.173 33.700 1.00 51.76 C ATOM 150 O ILE A 16 -9.580 70.581 34.821 1.00 55.38 O ATOM 151 CB ILE A 16 -9.663 67.797 32.911 1.00 54.14 C ATOM 152 CG1 ILE A 16 -10.732 66.799 32.432 1.00 54.98 C ATOM 153 CG2 ILE A 16 -9.180 67.407 34.312 1.00 50.99 C ATOM 154 CD1 ILE A 16 -10.148 65.486 31.941 1.00 53.95 C ATOM 155 H ILE A 16 -10.212 69.111 30.719 1.00 0.00 H ATOM 156 N GLN A 17 -8.141 70.537 33.105 1.00 52.43 N ATOM 157 CA GLN A 17 -7.160 71.389 33.787 1.00 53.03 C ATOM 158 C GLN A 17 -7.709 72.776 34.078 1.00 56.19 C ATOM 159 O GLN A 17 -7.501 73.298 35.185 1.00 55.97 O ATOM 160 CB GLN A 17 -5.891 71.529 32.964 1.00 50.02 C ATOM 161 CG GLN A 17 -4.724 72.186 33.708 1.00 49.63 C ATOM 162 CD GLN A 17 -4.275 71.433 34.958 1.00 46.53 C ATOM 163 OE1 GLN A 17 -4.115 72.020 36.032 1.00 48.87 O ATOM 164 NE2 GLN A 17 -4.121 70.125 34.834 1.00 44.93 N ATOM 165 HE22 GLN A 17 -4.266 69.670 33.910 1.00 0.00 H ATOM 166 HE21 GLN A 17 -3.855 69.552 35.660 1.00 0.00 H ATOM 167 H GLN A 17 -7.949 70.213 32.136 1.00 0.00 H ATOM 168 N LYS A 18 -8.405 73.350 33.091 1.00 57.98 N ATOM 169 CA LYS A 18 -9.014 74.668 33.226 1.00 60.71 C ATOM 170 C LYS A 18 -10.023 74.704 34.371 1.00 65.27 C ATOM 171 O LYS A 18 -9.995 75.630 35.190 1.00 66.50 O ATOM 172 CB LYS A 18 -9.670 75.100 31.918 1.00 59.84 C ATOM 173 H LYS A 18 -8.516 72.837 32.193 1.00 0.00 H ATOM 174 N GLU A 19 -10.859 73.672 34.471 1.00 64.94 N ATOM 175 CA GLU A 19 -11.863 73.623 35.539 1.00 69.30 C ATOM 176 C GLU A 19 -11.225 73.518 36.935 1.00 63.91 C ATOM 177 O GLU A 19 -11.748 74.093 37.883 1.00 62.03 O ATOM 178 CB GLU A 19 -12.908 72.509 35.312 1.00 70.06 C ATOM 179 H GLU A 19 -10.799 72.893 33.785 1.00 0.00 H ATOM 180 N PHE A 20 -10.099 72.820 37.060 1.00 63.10 N ATOM 181 CA PHE A 20 -9.359 72.807 38.341 1.00 62.23 C ATOM 182 C PHE A 20 -8.677 74.146 38.640 1.00 56.90 C ATOM 183 O PHE A 20 -8.930 74.757 39.691 1.00 62.34 O ATOM 184 CB PHE A 20 -8.336 71.688 38.409 1.00 59.92 C ATOM 185 CG PHE A 20 -7.639 71.621 39.741 1.00 65.86 C ATOM 186 CD1 PHE A 20 -8.290 71.086 40.850 1.00 65.17 C ATOM 187 CD2 PHE A 20 -6.359 72.148 39.901 1.00 59.69 C ATOM 188 CE1 PHE A 20 -7.667 71.047 42.089 1.00 69.73 C ATOM 189 CE2 PHE A 20 -5.735 72.116 41.139 1.00 71.80 C ATOM 190 CZ PHE A 20 -6.390 71.564 42.237 1.00 70.09 C ATOM 191 H PHE A 20 -9.736 72.279 36.250 1.00 0.00 H ATOM 192 N ASP A 21 -7.883 74.637 37.697 1.00 51.86 N ATOM 193 CA ASP A 21 -7.208 75.933 37.857 1.00 52.11 C ATOM 194 C ASP A 21 -8.162 77.118 38.118 1.00 59.34 C ATOM 195 O ASP A 21 -7.772 78.069 38.798 1.00 62.21 O ATOM 196 CB ASP A 21 -6.298 76.223 36.660 1.00 51.44 C ATOM 197 CG ASP A 21 -5.039 75.328 36.639 1.00 51.20 C ATOM 198 OD1 ASP A 21 -4.761 74.634 37.643 1.00 48.08 O ATOM 199 OD2 ASP A 21 -4.341 75.311 35.615 1.00 47.86 O ATOM 200 H ASP A 21 -7.735 74.092 36.824 1.00 0.00 H ATOM 201 N ASP A 22 -9.395 77.042 37.610 1.00 60.54 N ATOM 202 CA ASP A 22 -10.477 77.988 37.961 1.00 66.35 C ATOM 203 C ASP A 22 -10.721 78.132 39.476 1.00 66.56 C ATOM 204 O ASP A 22 -11.156 79.186 39.919 1.00 63.40 O ATOM 205 CB ASP A 22 -11.820 77.580 37.305 1.00 69.99 C ATOM 206 CG ASP A 22 -11.917 77.928 35.800 1.00 75.97 C ATOM 207 OD1 ASP A 22 -11.034 78.617 35.245 1.00 72.39 O ATOM 208 OD2 ASP A 22 -12.921 77.503 35.172 1.00 78.46 O ATOM 209 H ASP A 22 -9.605 76.280 36.934 1.00 0.00 H ATOM 210 N ARG A 23 -10.460 77.076 40.250 1.00 66.97 N ATOM 211 CA ARG A 23 -10.596 77.114 41.720 1.00 69.21 C ATOM 212 C ARG A 23 -9.425 77.798 42.476 1.00 67.81 C ATOM 213 O ARG A 23 -9.480 77.919 43.701 1.00 65.72 O ATOM 214 CB ARG A 23 -10.763 75.682 42.263 1.00 71.72 C ATOM 215 CG ARG A 23 -11.954 74.919 41.700 1.00 78.14 C ATOM 216 CD ARG A 23 -12.155 73.555 42.359 1.00 82.72 C ATOM 217 NE ARG A 23 -12.350 73.651 43.815 1.00 88.88 N ATOM 218 CZ ARG A 23 -12.739 72.659 44.623 1.00 89.98 C ATOM 219 NH1 ARG A 23 -13.011 71.447 44.155 1.00 96.53 N ATOM 220 NH2 ARG A 23 -12.868 72.888 45.927 1.00 88.70 N ATOM 221 HE ARG A 23 -12.169 74.575 44.256 1.00 0.00 H ATOM 222 HH12 ARG A 23 -13.312 70.694 44.806 1.00 0.00 H ATOM 223 HH11 ARG A 23 -12.923 71.251 43.137 1.00 0.00 H ATOM 224 HH22 ARG A 23 -13.170 72.122 46.562 1.00 0.00 H ATOM 225 HH21 ARG A 23 -12.667 73.833 46.311 1.00 0.00 H ATOM 226 H ARG A 23 -10.149 76.192 39.800 1.00 0.00 H ATOM 227 N ILE A 24 -8.377 78.215 41.763 1.00 63.43 N ATOM 228 CA ILE A 24 -7.136 78.686 42.371 1.00 65.64 C ATOM 229 C ILE A 24 -6.927 80.168 42.017 1.00 66.44 C ATOM 230 O ILE A 24 -6.328 80.476 40.993 1.00 66.16 O ATOM 231 CB ILE A 24 -5.917 77.837 41.893 1.00 62.53 C ATOM 232 CG1 ILE A 24 -6.190 76.321 42.050 1.00 62.27 C ATOM 233 CG2 ILE A 24 -4.637 78.256 42.627 1.00 62.25 C ATOM 234 CD1 ILE A 24 -6.541 75.885 43.461 1.00 62.60 C ATOM 235 H ILE A 24 -8.448 78.204 40.725 1.00 0.00 H ATOM 236 N PRO A 25 -7.382 81.087 42.886 1.00 70.51 N ATOM 237 CA PRO A 25 -7.285 82.516 42.551 1.00 71.79 C ATOM 238 C PRO A 25 -5.862 83.087 42.520 1.00 68.37 C ATOM 239 O PRO A 25 -5.638 84.118 41.885 1.00 66.23 O ATOM 240 CB PRO A 25 -8.124 83.190 43.647 1.00 78.06 C ATOM 241 CG PRO A 25 -8.055 82.253 44.804 1.00 77.08 C ATOM 242 CD PRO A 25 -7.993 80.873 44.215 1.00 73.31 C ATOM 243 N THR A 26 -4.913 82.420 43.181 1.00 66.53 N ATOM 244 CA THR A 26 -3.483 82.799 43.112 1.00 69.50 C ATOM 245 C THR A 26 -2.755 82.287 41.859 1.00 67.69 C ATOM 246 O THR A 26 -1.549 82.492 41.736 1.00 76.03 O ATOM 247 CB THR A 26 -2.698 82.284 44.343 1.00 66.11 C ATOM 248 OG1 THR A 26 -2.868 80.867 44.445 1.00 66.73 O ATOM 249 CG2 THR A 26 -3.188 82.948 45.613 1.00 68.02 C ATOM 250 HG1 THR A 26 -2.368 80.532 45.231 1.00 0.00 H ATOM 251 H THR A 26 -5.188 81.605 43.765 1.00 0.00 H ATOM 252 N LEU A 27 -3.471 81.617 40.950 1.00 65.03 N ATOM 253 CA LEU A 27 -2.883 81.058 39.730 1.00 60.30 C ATOM 254 C LEU A 27 -1.936 82.046 39.075 1.00 60.42 C ATOM 255 O LEU A 27 -2.328 83.172 38.775 1.00 60.27 O ATOM 256 CB LEU A 27 -3.977 80.664 38.723 1.00 57.08 C ATOM 257 CG LEU A 27 -3.500 79.902 37.492 1.00 51.86 C ATOM 258 CD1 LEU A 27 -2.981 78.528 37.900 1.00 47.74 C ATOM 259 CD2 LEU A 27 -4.635 79.794 36.479 1.00 50.18 C ATOM 260 H LEU A 27 -4.489 81.487 41.116 1.00 0.00 H ATOM 261 N ASN A 28 -0.701 81.600 38.854 1.00 59.12 N ATOM 262 CA ASN A 28 0.407 82.464 38.454 1.00 61.87 C ATOM 263 C ASN A 28 1.310 81.717 37.472 1.00 56.54 C ATOM 264 O ASN A 28 1.721 80.591 37.736 1.00 56.29 O ATOM 265 CB ASN A 28 1.190 82.876 39.705 1.00 64.02 C ATOM 266 CG ASN A 28 2.466 83.607 39.382 1.00 64.12 C ATOM 267 OD1 ASN A 28 3.481 82.984 39.092 1.00 67.36 O ATOM 268 ND2 ASN A 28 2.422 84.930 39.407 1.00 67.50 N ATOM 269 HD22 ASN A 28 1.538 85.416 39.659 1.00 0.00 H ATOM 270 HD21 ASN A 28 3.272 85.483 39.175 1.00 0.00 H ATOM 271 H ASN A 28 -0.516 80.584 38.972 1.00 0.00 H ATOM 272 N LEU A 29 1.615 82.355 36.346 1.00 58.41 N ATOM 273 CA LEU A 29 2.356 81.709 35.250 1.00 54.17 C ATOM 274 C LEU A 29 3.815 81.385 35.604 1.00 47.35 C ATOM 275 O LEU A 29 4.308 80.319 35.258 1.00 45.04 O ATOM 276 CB LEU A 29 2.295 82.573 33.981 1.00 52.53 C ATOM 277 CG LEU A 29 2.799 81.979 32.660 1.00 51.57 C ATOM 278 CD1 LEU A 29 2.099 80.681 32.291 1.00 51.45 C ATOM 279 CD2 LEU A 29 2.630 83.003 31.550 1.00 54.00 C ATOM 280 H LEU A 29 1.320 83.346 36.236 1.00 0.00 H ATOM 281 N GLY A 30 4.495 82.306 36.275 1.00 47.90 N ATOM 282 CA GLY A 30 5.868 82.063 36.747 1.00 45.17 C ATOM 283 C GLY A 30 5.943 80.866 37.676 1.00 42.88 C ATOM 284 O GLY A 30 6.797 79.980 37.524 1.00 40.87 O ATOM 285 H GLY A 30 4.046 83.223 36.473 1.00 0.00 H ATOM 286 N ASP A 31 5.013 80.813 38.619 1.00 42.23 N ATOM 287 CA ASP A 31 4.941 79.684 39.558 1.00 41.44 C ATOM 288 C ASP A 31 4.631 78.357 38.879 1.00 40.25 C ATOM 289 O ASP A 31 5.303 77.342 39.163 1.00 37.94 O ATOM 290 CB ASP A 31 3.924 79.988 40.655 1.00 43.99 C ATOM 291 CG ASP A 31 4.415 81.049 41.651 1.00 45.89 C ATOM 292 OD1 ASP A 31 5.595 81.497 41.582 1.00 44.75 O ATOM 293 OD2 ASP A 31 3.588 81.455 42.511 1.00 51.00 O ATOM 294 H ASP A 31 4.321 81.585 38.696 1.00 0.00 H ATOM 295 N SER A 32 3.664 78.369 37.938 1.00 39.38 N ATOM 296 CA SER A 32 3.327 77.156 37.187 1.00 38.27 C ATOM 297 C SER A 32 4.494 76.644 36.331 1.00 36.42 C ATOM 298 O SER A 32 4.697 75.439 36.214 1.00 33.06 O ATOM 299 CB SER A 32 2.083 77.375 36.304 1.00 42.01 C ATOM 300 OG SER A 32 0.976 77.878 37.049 1.00 42.86 O ATOM 301 HG SER A 32 1.221 78.746 37.457 1.00 0.00 H ATOM 302 H SER A 32 3.150 79.252 37.743 1.00 0.00 H ATOM 303 N LYS A 33 5.272 77.559 35.755 1.00 40.82 N ATOM 304 CA LYS A 33 6.496 77.200 35.011 1.00 43.09 C ATOM 305 C LYS A 33 7.582 76.584 35.905 1.00 46.45 C ATOM 306 O LYS A 33 8.224 75.605 35.535 1.00 48.16 O ATOM 307 CB LYS A 33 7.074 78.425 34.296 1.00 45.03 C ATOM 308 CG LYS A 33 6.260 78.849 33.091 1.00 46.02 C ATOM 309 CD LYS A 33 6.900 80.016 32.373 1.00 48.49 C ATOM 310 CE LYS A 33 6.071 80.370 31.149 1.00 51.38 C ATOM 311 NZ LYS A 33 6.813 81.286 30.255 1.00 54.43 N ATOM 312 HZ1 LYS A 33 7.041 82.161 30.769 1.00 0.00 H ATOM 313 HZ2 LYS A 33 7.692 80.827 29.942 1.00 0.00 H ATOM 314 HZ3 LYS A 33 6.225 81.512 29.427 1.00 0.00 H ATOM 315 H LYS A 33 5.008 78.562 35.832 1.00 0.00 H ATOM 316 N ILE A 34 7.789 77.175 37.078 1.00 47.45 N ATOM 317 CA ILE A 34 8.698 76.601 38.072 1.00 46.65 C ATOM 318 C ILE A 34 8.184 75.217 38.462 1.00 45.75 C ATOM 319 O ILE A 34 8.967 74.259 38.500 1.00 40.05 O ATOM 320 CB ILE A 34 8.851 77.521 39.309 1.00 45.41 C ATOM 321 CG1 ILE A 34 9.707 78.741 38.942 1.00 44.83 C ATOM 322 CG2 ILE A 34 9.483 76.775 40.477 1.00 49.55 C ATOM 323 CD1 ILE A 34 9.616 79.888 39.925 1.00 46.48 C ATOM 324 H ILE A 34 7.295 78.064 37.294 1.00 0.00 H ATOM 325 N ALA A 35 6.871 75.124 38.708 1.00 41.82 N ATOM 326 CA ALA A 35 6.238 73.878 39.164 1.00 40.60 C ATOM 327 C ALA A 35 6.426 72.741 38.182 1.00 39.98 C ATOM 328 O ALA A 35 6.727 71.614 38.575 1.00 38.63 O ATOM 329 CB ALA A 35 4.764 74.099 39.415 1.00 43.53 C ATOM 330 H ALA A 35 6.276 75.966 38.571 1.00 0.00 H ATOM 331 N TYR A 36 6.273 73.048 36.897 1.00 41.74 N ATOM 332 CA TYR A 36 6.560 72.087 35.821 1.00 39.34 C ATOM 333 C TYR A 36 7.951 71.500 35.959 1.00 36.60 C ATOM 334 O TYR A 36 8.129 70.290 35.885 1.00 35.42 O ATOM 335 CB TYR A 36 6.422 72.773 34.456 1.00 41.22 C ATOM 336 CG TYR A 36 6.704 71.880 33.267 1.00 43.92 C ATOM 337 CD1 TYR A 36 8.011 71.685 32.811 1.00 38.94 C ATOM 338 CD2 TYR A 36 5.662 71.224 32.590 1.00 40.60 C ATOM 339 CE1 TYR A 36 8.271 70.876 31.721 1.00 40.11 C ATOM 340 CE2 TYR A 36 5.921 70.402 31.500 1.00 39.45 C ATOM 341 CZ TYR A 36 7.220 70.243 31.057 1.00 37.76 C ATOM 342 OH TYR A 36 7.494 69.425 29.979 1.00 31.02 O ATOM 343 HH TYR A 36 7.011 69.759 29.182 1.00 0.00 H ATOM 344 H TYR A 36 5.939 74.000 36.644 1.00 0.00 H ATOM 345 N VAL A 37 8.939 72.366 36.171 1.00 39.93 N ATOM 346 CA VAL A 37 10.334 71.935 36.262 1.00 35.92 C ATOM 347 C VAL A 37 10.567 71.058 37.501 1.00 37.81 C ATOM 348 O VAL A 37 11.217 70.023 37.415 1.00 35.45 O ATOM 349 CB VAL A 37 11.295 73.128 36.285 1.00 38.76 C ATOM 350 CG1 VAL A 37 12.740 72.648 36.491 1.00 38.39 C ATOM 351 CG2 VAL A 37 11.182 73.929 34.994 1.00 39.80 C ATOM 352 H VAL A 37 8.713 73.376 36.275 1.00 0.00 H ATOM 353 N VAL A 38 9.992 71.457 38.631 1.00 40.71 N ATOM 354 CA VAL A 38 10.153 70.711 39.873 1.00 36.19 C ATOM 355 C VAL A 38 9.501 69.356 39.745 1.00 35.91 C ATOM 356 O VAL A 38 10.111 68.352 40.111 1.00 32.03 O ATOM 357 CB VAL A 38 9.587 71.477 41.088 1.00 44.40 C ATOM 358 CG1 VAL A 38 9.667 70.633 42.361 1.00 44.83 C ATOM 359 CG2 VAL A 38 10.374 72.770 41.291 1.00 42.42 C ATOM 360 H VAL A 38 9.414 72.321 38.629 1.00 0.00 H ATOM 361 N GLU A 39 8.287 69.299 39.165 1.00 33.59 N ATOM 362 CA GLU A 39 7.622 68.010 38.948 1.00 32.21 C ATOM 363 C GLU A 39 8.406 67.123 37.995 1.00 30.01 C ATOM 364 O GLU A 39 8.380 65.906 38.121 1.00 32.85 O ATOM 365 CB GLU A 39 6.165 68.195 38.435 1.00 35.41 C ATOM 366 CG GLU A 39 5.217 68.852 39.432 1.00 37.47 C ATOM 367 CD GLU A 39 4.959 68.053 40.696 1.00 37.18 C ATOM 368 OE1 GLU A 39 5.134 66.808 40.714 1.00 34.38 O ATOM 369 OE2 GLU A 39 4.555 68.694 41.682 1.00 46.55 O ATOM 370 H GLU A 39 7.816 70.178 38.868 1.00 0.00 H ATOM 371 N PHE A 40 9.061 67.717 37.008 1.00 31.96 N ATOM 372 CA PHE A 40 9.877 66.941 36.088 1.00 31.73 C ATOM 373 C PHE A 40 10.984 66.200 36.850 1.00 36.55 C ATOM 374 O PHE A 40 11.208 65.019 36.600 1.00 42.29 O ATOM 375 CB PHE A 40 10.469 67.821 34.989 1.00 34.19 C ATOM 376 CG PHE A 40 11.105 67.032 33.889 1.00 36.61 C ATOM 377 CD1 PHE A 40 12.403 66.559 34.025 1.00 37.53 C ATOM 378 CD2 PHE A 40 10.396 66.711 32.743 1.00 42.88 C ATOM 379 CE1 PHE A 40 12.994 65.810 33.020 1.00 37.93 C ATOM 380 CE2 PHE A 40 10.985 65.962 31.728 1.00 41.14 C ATOM 381 CZ PHE A 40 12.280 65.503 31.879 1.00 40.28 C ATOM 382 H PHE A 40 8.991 68.748 36.890 1.00 0.00 H ATOM 383 N PHE A 41 11.636 66.890 37.785 1.00 32.71 N ATOM 384 CA PHE A 41 12.649 66.266 38.616 1.00 37.02 C ATOM 385 C PHE A 41 12.056 65.249 39.567 1.00 35.19 C ATOM 386 O PHE A 41 12.638 64.185 39.717 1.00 35.74 O ATOM 387 CB PHE A 41 13.512 67.285 39.358 1.00 33.54 C ATOM 388 CG PHE A 41 14.577 67.897 38.496 1.00 36.54 C ATOM 389 CD1 PHE A 41 15.829 67.303 38.354 1.00 40.55 C ATOM 390 CD2 PHE A 41 14.326 69.055 37.805 1.00 40.27 C ATOM 391 CE1 PHE A 41 16.805 67.864 37.552 1.00 36.05 C ATOM 392 CE2 PHE A 41 15.297 69.636 37.011 1.00 41.45 C ATOM 393 CZ PHE A 41 16.539 69.036 36.887 1.00 41.15 C ATOM 394 H PHE A 41 11.414 67.897 37.922 1.00 0.00 H ATOM 395 N GLU A 42 10.912 65.544 40.184 1.00 36.47 N ATOM 396 CA GLU A 42 10.205 64.532 41.015 1.00 43.40 C ATOM 397 C GLU A 42 9.969 63.262 40.193 1.00 37.69 C ATOM 398 O GLU A 42 10.195 62.157 40.681 1.00 39.04 O ATOM 399 CB GLU A 42 8.850 65.030 41.594 1.00 51.10 C ATOM 400 CG GLU A 42 8.934 66.186 42.603 1.00 75.30 C ATOM 401 CD GLU A 42 7.572 66.746 43.084 1.00 81.83 C ATOM 402 OE1 GLU A 42 6.504 66.144 42.866 1.00 78.44 O ATOM 403 OE2 GLU A 42 7.553 67.846 43.678 1.00 88.55 O ATOM 404 H GLU A 42 10.507 66.497 40.083 1.00 0.00 H ATOM 405 N TRP A 43 9.517 63.422 38.944 1.00 34.44 N ATOM 406 CA TRP A 43 9.324 62.267 38.050 1.00 32.81 C ATOM 407 C TRP A 43 10.635 61.557 37.720 1.00 32.42 C ATOM 408 O TRP A 43 10.685 60.326 37.724 1.00 32.22 O ATOM 409 CB TRP A 43 8.624 62.648 36.727 1.00 30.78 C ATOM 410 CG TRP A 43 8.740 61.538 35.755 1.00 28.46 C ATOM 411 CD1 TRP A 43 8.084 60.360 35.785 1.00 29.04 C ATOM 412 CD2 TRP A 43 9.674 61.453 34.689 1.00 28.92 C ATOM 413 NE1 TRP A 43 8.517 59.542 34.767 1.00 29.15 N ATOM 414 CE2 TRP A 43 9.502 60.199 34.083 1.00 29.05 C ATOM 415 CE3 TRP A 43 10.637 62.324 34.183 1.00 28.78 C ATOM 416 CZ2 TRP A 43 10.249 59.794 33.005 1.00 28.47 C ATOM 417 CZ3 TRP A 43 11.373 61.930 33.108 1.00 29.13 C ATOM 418 CH2 TRP A 43 11.176 60.675 32.523 1.00 29.65 C ATOM 419 HE1 TRP A 43 8.158 58.589 34.555 1.00 0.00 H ATOM 420 H TRP A 43 9.298 64.378 38.598 1.00 0.00 H ATOM 421 N PHE A 44 11.664 62.337 37.408 1.00 31.67 N ATOM 422 CA PHE A 44 12.957 61.778 37.030 1.00 37.25 C ATOM 423 C PHE A 44 13.528 60.970 38.210 1.00 38.86 C ATOM 424 O PHE A 44 14.149 59.912 38.035 1.00 40.74 O ATOM 425 CB PHE A 44 13.889 62.921 36.565 1.00 35.59 C ATOM 426 CG PHE A 44 15.252 62.468 36.146 1.00 38.64 C ATOM 427 CD1 PHE A 44 15.430 61.810 34.930 1.00 38.65 C ATOM 428 CD2 PHE A 44 16.369 62.721 36.940 1.00 37.04 C ATOM 429 CE1 PHE A 44 16.687 61.382 34.544 1.00 37.09 C ATOM 430 CE2 PHE A 44 17.629 62.288 36.546 1.00 42.51 C ATOM 431 CZ PHE A 44 17.782 61.621 35.335 1.00 36.69 C ATOM 432 H PHE A 44 11.545 63.370 37.434 1.00 0.00 H ATOM 433 N ASN A 45 13.254 61.431 39.422 1.00 39.38 N ATOM 434 CA ASN A 45 13.660 60.681 40.623 1.00 39.20 C ATOM 435 C ASN A 45 12.980 59.316 40.752 1.00 38.58 C ATOM 436 O ASN A 45 13.559 58.416 41.334 1.00 34.81 O ATOM 437 CB ASN A 45 13.425 61.504 41.890 1.00 38.33 C ATOM 438 CG ASN A 45 14.145 60.930 43.093 1.00 40.02 C ATOM 439 OD1 ASN A 45 15.282 60.463 42.998 1.00 44.72 O ATOM 440 ND2 ASN A 45 13.497 60.983 44.241 1.00 40.10 N ATOM 441 HD22 ASN A 45 12.539 61.385 44.279 1.00 0.00 H ATOM 442 HD21 ASN A 45 13.945 60.623 45.108 1.00 0.00 H ATOM 443 H ASN A 45 12.746 62.333 39.526 1.00 0.00 H ATOM 444 N THR A 46 11.767 59.153 40.211 1.00 34.55 N ATOM 445 CA THR A 46 11.100 57.836 40.254 1.00 34.69 C ATOM 446 C THR A 46 11.674 56.854 39.256 1.00 32.63 C ATOM 447 O THR A 46 11.554 55.640 39.410 1.00 31.59 O ATOM 448 CB THR A 46 9.576 57.951 40.045 1.00 37.07 C ATOM 449 OG1 THR A 46 9.292 58.445 38.730 1.00 33.04 O ATOM 450 CG2 THR A 46 8.972 58.873 41.112 1.00 34.69 C ATOM 451 HG1 THR A 46 9.703 59.339 38.619 1.00 0.00 H ATOM 452 H THR A 46 11.291 59.959 39.757 1.00 0.00 H ATOM 453 N LEU A 47 12.325 57.387 38.241 1.00 34.74 N ATOM 454 CA LEU A 47 12.878 56.581 37.173 1.00 37.29 C ATOM 455 C LEU A 47 14.194 55.927 37.626 1.00 42.89 C ATOM 456 O LEU A 47 14.434 54.753 37.307 1.00 49.14 O ATOM 457 CB LEU A 47 13.012 57.469 35.918 1.00 39.85 C ATOM 458 CG LEU A 47 13.290 56.782 34.588 1.00 43.32 C ATOM 459 CD1 LEU A 47 12.085 55.899 34.210 1.00 43.70 C ATOM 460 CD2 LEU A 47 13.574 57.797 33.489 1.00 43.35 C ATOM 461 H LEU A 47 12.445 58.419 38.206 1.00 0.00 H ATOM 462 N GLU A 48 15.003 56.680 38.384 1.00 39.33 N ATOM 463 CA GLU A 48 16.187 56.177 39.076 1.00 42.42 C ATOM 464 C GLU A 48 17.299 55.652 38.167 1.00 39.04 C ATOM 465 O GLU A 48 18.033 54.748 38.535 1.00 38.72 O ATOM 466 CB GLU A 48 15.792 55.119 40.115 1.00 50.09 C ATOM 467 CG GLU A 48 14.795 55.661 41.126 1.00 56.34 C ATOM 468 CD GLU A 48 14.652 54.814 42.371 1.00 55.74 C ATOM 469 OE1 GLU A 48 14.763 53.576 42.264 1.00 51.03 O ATOM 470 OE2 GLU A 48 14.414 55.407 43.446 1.00 48.79 O ATOM 471 H GLU A 48 14.773 57.689 38.486 1.00 0.00 H ATOM 472 N THR A 49 17.439 56.246 36.995 1.00 37.15 N ATOM 473 CA THR A 49 18.447 55.798 36.027 1.00 42.60 C ATOM 474 C THR A 49 19.874 56.160 36.421 1.00 41.86 C ATOM 475 O THR A 49 20.808 55.596 35.880 1.00 43.40 O ATOM 476 CB THR A 49 18.152 56.328 34.608 1.00 37.28 C ATOM 477 OG1 THR A 49 17.947 57.747 34.641 1.00 36.60 O ATOM 478 CG2 THR A 49 16.930 55.642 34.059 1.00 36.20 C ATOM 479 HG1 THR A 49 17.759 58.073 33.725 1.00 0.00 H ATOM 480 H THR A 49 16.822 57.048 36.754 1.00 0.00 H ATOM 481 N PHE A 50 20.016 57.095 37.365 1.00 43.36 N ATOM 482 CA PHE A 50 21.316 57.502 37.916 1.00 38.53 C ATOM 483 C PHE A 50 21.664 56.788 39.218 1.00 43.55 C ATOM 484 O PHE A 50 22.751 57.000 39.760 1.00 38.56 O ATOM 485 CB PHE A 50 21.322 59.022 38.128 1.00 38.77 C ATOM 486 CG PHE A 50 20.291 59.502 39.122 1.00 39.56 C ATOM 487 CD1 PHE A 50 18.976 59.813 38.703 1.00 36.54 C ATOM 488 CD2 PHE A 50 20.613 59.615 40.472 1.00 39.40 C ATOM 489 CE1 PHE A 50 18.026 60.212 39.611 1.00 34.29 C ATOM 490 CE2 PHE A 50 19.652 60.021 41.394 1.00 39.97 C ATOM 491 CZ PHE A 50 18.362 60.320 40.958 1.00 39.53 C ATOM 492 H PHE A 50 19.160 57.560 37.730 1.00 0.00 H ATOM 493 N LYS A 51 20.757 55.957 39.739 1.00 43.52 N ATOM 494 CA LYS A 51 20.918 55.414 41.103 1.00 43.92 C ATOM 495 C LYS A 51 21.569 54.063 41.031 1.00 48.38 C ATOM 496 O LYS A 51 20.935 53.046 41.297 1.00 57.91 O ATOM 497 CB LYS A 51 19.568 55.329 41.821 1.00 43.62 C ATOM 498 CG LYS A 51 18.912 56.676 42.036 1.00 42.48 C ATOM 499 CD LYS A 51 17.872 56.612 43.135 1.00 44.74 C ATOM 500 CE LYS A 51 17.100 57.919 43.235 1.00 49.01 C ATOM 501 NZ LYS A 51 16.084 57.875 44.321 1.00 55.55 N ATOM 502 HZ1 LYS A 51 15.408 57.108 44.131 1.00 0.00 H ATOM 503 HZ2 LYS A 51 16.558 57.703 45.231 1.00 0.00 H ATOM 504 HZ3 LYS A 51 15.579 58.783 44.358 1.00 0.00 H ATOM 505 H LYS A 51 19.925 55.688 39.176 1.00 0.00 H ATOM 506 N ASN A 52 22.850 54.066 40.688 1.00 47.35 N ATOM 507 CA ASN A 52 23.645 52.843 40.561 1.00 49.61 C ATOM 508 C ASN A 52 23.762 51.990 41.837 1.00 58.50 C ATOM 509 O ASN A 52 24.177 50.835 41.771 1.00 63.41 O ATOM 510 CB ASN A 52 25.055 53.189 40.069 1.00 48.43 C ATOM 511 CG ASN A 52 25.823 54.078 41.051 1.00 48.33 C ATOM 512 OD1 ASN A 52 26.345 53.616 42.064 1.00 47.98 O ATOM 513 ND2 ASN A 52 25.877 55.365 40.754 1.00 47.65 N ATOM 514 HD22 ASN A 52 25.423 55.718 39.888 1.00 0.00 H ATOM 515 HD21 ASN A 52 26.373 56.024 41.387 1.00 0.00 H ATOM 516 H ASN A 52 23.311 54.979 40.501 1.00 0.00 H ATOM 517 N TRP A 53 23.418 52.573 42.982 1.00 56.20 N ATOM 518 CA TRP A 53 23.461 51.895 44.292 1.00 57.76 C ATOM 519 C TRP A 53 22.211 51.041 44.623 1.00 56.83 C ATOM 520 O TRP A 53 22.205 50.354 45.626 1.00 64.36 O ATOM 521 CB TRP A 53 23.690 52.925 45.426 1.00 56.39 C ATOM 522 CG TRP A 53 22.684 54.048 45.470 1.00 49.85 C ATOM 523 CD1 TRP A 53 21.527 54.070 46.164 1.00 48.30 C ATOM 524 CD2 TRP A 53 22.768 55.313 44.772 1.00 47.58 C ATOM 525 NE1 TRP A 53 20.862 55.268 45.942 1.00 49.80 N ATOM 526 CE2 TRP A 53 21.596 56.042 45.087 1.00 42.54 C ATOM 527 CE3 TRP A 53 23.712 55.887 43.894 1.00 43.38 C ATOM 528 CZ2 TRP A 53 21.345 57.318 44.584 1.00 39.55 C ATOM 529 CZ3 TRP A 53 23.469 57.153 43.391 1.00 40.01 C ATOM 530 CH2 TRP A 53 22.271 57.858 43.729 1.00 39.07 C ATOM 531 HE1 TRP A 53 19.948 55.535 46.361 1.00 0.00 H ATOM 532 H TRP A 53 23.101 53.563 42.952 1.00 0.00 H ATOM 533 N LYS A 54 21.178 51.089 43.791 1.00 54.42 N ATOM 534 CA LYS A 54 19.962 50.283 44.002 1.00 60.38 C ATOM 535 C LYS A 54 20.140 48.896 43.425 1.00 67.99 C ATOM 536 O LYS A 54 20.514 48.771 42.250 1.00 63.41 O ATOM 537 CB LYS A 54 18.746 50.867 43.244 1.00 63.54 C ATOM 538 CG LYS A 54 17.624 51.630 44.039 1.00 59.67 C ATOM 539 CD LYS A 54 18.168 52.737 44.900 1.00 61.11 C ATOM 540 CE LYS A 54 17.124 53.537 45.557 1.00 62.29 C ATOM 541 NZ LYS A 54 15.861 52.879 45.900 1.00 66.55 N ATOM 542 HZ1 LYS A 54 15.415 52.514 45.034 1.00 0.00 H ATOM 543 HZ2 LYS A 54 16.048 52.092 46.553 1.00 0.00 H ATOM 544 HZ3 LYS A 54 15.226 53.566 46.355 1.00 0.00 H ATOM 545 H LYS A 54 21.228 51.716 42.963 1.00 0.00 H ATOM 546 N LYS A 55 19.760 47.872 44.188 1.00 69.74 N ATOM 547 CA LYS A 55 19.609 46.516 43.643 1.00 79.33 C ATOM 548 C LYS A 55 18.614 46.475 42.456 1.00 80.79 C ATOM 549 O LYS A 55 18.943 45.969 41.378 1.00 81.57 O ATOM 550 CB LYS A 55 19.153 45.554 44.745 1.00 79.16 C ATOM 551 H LYS A 55 19.565 48.037 45.196 1.00 0.00 H ATOM 552 N LYS A 56 17.420 47.045 42.652 1.00 82.02 N ATOM 553 CA LYS A 56 16.352 47.065 41.626 1.00 80.85 C ATOM 554 C LYS A 56 15.798 48.497 41.456 1.00 76.08 C ATOM 555 O LYS A 56 14.814 48.855 42.101 1.00 66.63 O ATOM 556 CB LYS A 56 15.230 46.088 41.994 1.00 74.10 C ATOM 557 H LYS A 56 17.232 47.496 43.570 1.00 0.00 H ATOM 558 N PRO A 57 16.454 49.331 40.613 1.00 72.58 N ATOM 559 CA PRO A 57 16.085 50.745 40.503 1.00 63.55 C ATOM 560 C PRO A 57 14.835 50.939 39.677 1.00 62.40 C ATOM 561 O PRO A 57 14.614 50.204 38.724 1.00 65.05 O ATOM 562 CB PRO A 57 17.273 51.368 39.763 1.00 60.95 C ATOM 563 CG PRO A 57 17.806 50.260 38.935 1.00 62.64 C ATOM 564 CD PRO A 57 17.604 49.008 39.743 1.00 71.77 C ATOM 565 N GLY A 58 14.062 51.955 40.035 1.00 55.90 N ATOM 566 CA GLY A 58 12.792 52.260 39.409 1.00 53.51 C ATOM 567 C GLY A 58 11.709 52.058 40.431 1.00 52.34 C ATOM 568 O GLY A 58 11.539 50.953 40.930 1.00 61.85 O ATOM 569 H GLY A 58 14.386 52.568 40.810 1.00 0.00 H ATOM 570 N LYS A 59 11.001 53.130 40.782 1.00 47.07 N ATOM 571 CA LYS A 59 9.840 53.024 41.668 1.00 49.88 C ATOM 572 C LYS A 59 8.698 52.324 40.944 1.00 51.68 C ATOM 573 O LYS A 59 8.804 52.049 39.754 1.00 62.60 O ATOM 574 CB LYS A 59 9.433 54.402 42.188 1.00 50.25 C ATOM 575 CG LYS A 59 10.358 54.892 43.295 1.00 53.64 C ATOM 576 CD LYS A 59 10.155 56.372 43.644 1.00 53.28 C ATOM 577 CE LYS A 59 10.709 56.676 45.021 1.00 55.32 C ATOM 578 NZ LYS A 59 12.193 56.533 45.102 1.00 51.13 N ATOM 579 HZ1 LYS A 59 12.459 55.556 44.864 1.00 0.00 H ATOM 580 HZ2 LYS A 59 12.640 57.189 44.431 1.00 0.00 H ATOM 581 HZ3 LYS A 59 12.509 56.754 46.068 1.00 0.00 H ATOM 582 H LYS A 59 11.279 54.064 40.418 1.00 0.00 H ATOM 583 N PRO A 60 7.621 51.968 41.659 1.00 59.35 N ATOM 584 CA PRO A 60 6.542 51.267 40.940 1.00 56.91 C ATOM 585 C PRO A 60 5.879 52.111 39.852 1.00 54.36 C ATOM 586 O PRO A 60 5.847 53.331 39.943 1.00 51.93 O ATOM 587 CB PRO A 60 5.566 50.893 42.057 1.00 57.93 C ATOM 588 CG PRO A 60 6.416 50.811 43.279 1.00 58.51 C ATOM 589 CD PRO A 60 7.415 51.923 43.115 1.00 57.03 C ATOM 590 N LEU A 61 5.380 51.445 38.815 1.00 62.18 N ATOM 591 CA LEU A 61 4.792 52.103 37.647 1.00 56.81 C ATOM 592 C LEU A 61 3.770 53.179 38.020 1.00 54.88 C ATOM 593 O LEU A 61 3.788 54.278 37.462 1.00 56.58 O ATOM 594 CB LEU A 61 4.115 51.063 36.738 1.00 69.25 C ATOM 595 CG LEU A 61 3.459 51.621 35.461 1.00 69.73 C ATOM 596 CD1 LEU A 61 4.534 51.998 34.456 1.00 67.11 C ATOM 597 CD2 LEU A 61 2.470 50.646 34.845 1.00 67.90 C ATOM 598 H LEU A 61 5.409 50.406 38.835 1.00 0.00 H ATOM 599 N ASP A 62 2.835 52.822 38.893 1.00 46.88 N ATOM 600 CA ASP A 62 1.791 53.753 39.305 1.00 51.86 C ATOM 601 C ASP A 62 2.375 55.002 39.930 1.00 48.21 C ATOM 602 O ASP A 62 1.808 56.091 39.794 1.00 48.52 O ATOM 603 CB ASP A 62 0.802 53.100 40.302 1.00 56.37 C ATOM 604 CG ASP A 62 1.507 52.395 41.459 1.00 68.99 C ATOM 605 OD1 ASP A 62 2.639 51.896 41.268 1.00 82.07 O ATOM 606 OD2 ASP A 62 0.956 52.370 42.572 1.00 73.72 O ATOM 607 H ASP A 62 2.848 51.861 39.290 1.00 0.00 H ATOM 608 N VAL A 63 3.466 54.842 40.673 1.00 47.81 N ATOM 609 CA VAL A 63 4.141 55.991 41.267 1.00 44.58 C ATOM 610 C VAL A 63 4.768 56.820 40.160 1.00 39.05 C ATOM 611 O VAL A 63 4.666 58.040 40.186 1.00 38.04 O ATOM 612 CB VAL A 63 5.178 55.589 42.352 1.00 45.83 C ATOM 613 CG1 VAL A 63 6.046 56.776 42.759 1.00 44.59 C ATOM 614 CG2 VAL A 63 4.464 55.009 43.569 1.00 45.63 C ATOM 615 H VAL A 63 3.843 53.886 40.833 1.00 0.00 H ATOM 616 N GLN A 64 5.402 56.167 39.196 1.00 39.64 N ATOM 617 CA GLN A 64 6.038 56.892 38.086 1.00 41.88 C ATOM 618 C GLN A 64 5.021 57.667 37.260 1.00 41.26 C ATOM 619 O GLN A 64 5.298 58.798 36.860 1.00 43.15 O ATOM 620 CB GLN A 64 6.789 55.939 37.170 1.00 39.95 C ATOM 621 CG GLN A 64 8.068 55.385 37.761 1.00 41.72 C ATOM 622 CD GLN A 64 8.765 54.440 36.812 1.00 39.66 C ATOM 623 OE1 GLN A 64 8.880 54.718 35.623 1.00 39.81 O ATOM 624 NE2 GLN A 64 9.252 53.321 37.339 1.00 42.26 N ATOM 625 HE22 GLN A 64 9.130 53.128 38.354 1.00 0.00 H ATOM 626 HE21 GLN A 64 9.755 52.639 36.737 1.00 0.00 H ATOM 627 H GLN A 64 5.450 55.129 39.225 1.00 0.00 H ATOM 628 N LEU A 65 3.862 57.046 37.022 1.00 38.77 N ATOM 629 CA LEU A 65 2.806 57.653 36.207 1.00 41.28 C ATOM 630 C LEU A 65 2.101 58.777 36.933 1.00 41.39 C ATOM 631 O LEU A 65 1.751 59.777 36.317 1.00 42.95 O ATOM 632 CB LEU A 65 1.772 56.613 35.776 1.00 42.61 C ATOM 633 CG LEU A 65 2.240 55.649 34.704 1.00 40.65 C ATOM 634 CD1 LEU A 65 1.343 54.436 34.669 1.00 42.34 C ATOM 635 CD2 LEU A 65 2.255 56.339 33.362 1.00 40.94 C ATOM 636 H LEU A 65 3.704 56.102 37.428 1.00 0.00 H ATOM 637 N ASP A 66 1.907 58.609 38.239 1.00 41.52 N ATOM 638 CA ASP A 66 1.391 59.677 39.075 1.00 41.67 C ATOM 639 C ASP A 66 2.250 60.938 38.966 1.00 39.41 C ATOM 640 O ASP A 66 1.711 62.025 38.754 1.00 36.92 O ATOM 641 CB ASP A 66 1.290 59.235 40.533 1.00 50.07 C ATOM 642 CG ASP A 66 0.441 60.176 41.369 1.00 57.97 C ATOM 643 OD1 ASP A 66 -0.699 60.463 40.966 1.00 78.13 O ATOM 644 OD2 ASP A 66 0.911 60.638 42.427 1.00 79.86 O ATOM 645 H ASP A 66 2.131 57.690 38.671 1.00 0.00 H ATOM 646 N GLU A 67 3.586 60.795 39.065 1.00 39.05 N ATOM 647 CA GLU A 67 4.504 61.950 38.939 1.00 36.57 C ATOM 648 C GLU A 67 4.519 62.501 37.543 1.00 35.55 C ATOM 649 O GLU A 67 4.544 63.707 37.350 1.00 37.54 O ATOM 650 CB GLU A 67 5.952 61.600 39.338 1.00 39.81 C ATOM 651 CG GLU A 67 6.129 61.138 40.779 1.00 40.92 C ATOM 652 CD GLU A 67 5.822 62.199 41.825 1.00 48.06 C ATOM 653 OE1 GLU A 67 5.779 63.418 41.517 1.00 53.90 O ATOM 654 OE2 GLU A 67 5.652 61.805 43.001 1.00 61.69 O ATOM 655 H GLU A 67 3.983 59.849 39.234 1.00 0.00 H ATOM 656 N LEU A 68 4.501 61.618 36.547 1.00 39.62 N ATOM 657 CA LEU A 68 4.365 62.057 35.157 1.00 38.52 C ATOM 658 C LEU A 68 3.064 62.864 34.961 1.00 38.71 C ATOM 659 O LEU A 68 3.074 63.866 34.260 1.00 38.79 O ATOM 660 CB LEU A 68 4.401 60.865 34.192 1.00 42.00 C ATOM 661 CG LEU A 68 4.456 61.188 32.683 1.00 40.64 C ATOM 662 CD1 LEU A 68 5.719 61.931 32.313 1.00 37.54 C ATOM 663 CD2 LEU A 68 4.353 59.913 31.866 1.00 41.64 C ATOM 664 H LEU A 68 4.585 60.603 36.759 1.00 0.00 H ATOM 665 N ALA A 69 1.971 62.449 35.607 1.00 40.18 N ATOM 666 CA ALA A 69 0.692 63.182 35.518 1.00 43.98 C ATOM 667 C ALA A 69 0.765 64.599 36.098 1.00 43.25 C ATOM 668 O ALA A 69 0.136 65.511 35.561 1.00 47.13 O ATOM 669 CB ALA A 69 -0.429 62.404 36.182 1.00 43.18 C ATOM 670 H ALA A 69 2.022 61.588 36.188 1.00 0.00 H ATOM 671 N ASP A 70 1.560 64.792 37.154 1.00 46.32 N ATOM 672 CA ASP A 70 1.787 66.130 37.705 1.00 42.57 C ATOM 673 C ASP A 70 2.491 67.045 36.718 1.00 41.96 C ATOM 674 O ASP A 70 2.208 68.230 36.708 1.00 39.71 O ATOM 675 CB ASP A 70 2.619 66.096 38.991 1.00 44.30 C ATOM 676 CG ASP A 70 1.924 65.365 40.135 1.00 48.38 C ATOM 677 OD1 ASP A 70 0.665 65.399 40.239 1.00 54.09 O ATOM 678 OD2 ASP A 70 2.652 64.735 40.932 1.00 47.32 O ATOM 679 H ASP A 70 2.028 63.974 37.595 1.00 0.00 H ATOM 680 N ILE A 71 3.401 66.508 35.899 1.00 41.17 N ATOM 681 CA ILE A 71 4.064 67.309 34.867 1.00 39.40 C ATOM 682 C ILE A 71 3.031 67.725 33.809 1.00 38.73 C ATOM 683 O ILE A 71 3.008 68.890 33.382 1.00 42.66 O ATOM 684 CB ILE A 71 5.200 66.566 34.122 1.00 36.13 C ATOM 685 CG1 ILE A 71 6.292 66.060 35.076 1.00 45.18 C ATOM 686 CG2 ILE A 71 5.866 67.512 33.127 1.00 36.93 C ATOM 687 CD1 ILE A 71 7.235 65.064 34.411 1.00 41.56 C ATOM 688 H ILE A 71 3.643 65.501 35.996 1.00 0.00 H ATOM 689 N LEU A 72 2.242 66.760 33.344 1.00 36.90 N ATOM 690 CA LEU A 72 1.173 67.049 32.374 1.00 39.08 C ATOM 691 C LEU A 72 0.296 68.177 32.857 1.00 36.20 C ATOM 692 O LEU A 72 0.019 69.120 32.098 1.00 37.53 O ATOM 693 CB LEU A 72 0.322 65.816 32.079 1.00 39.60 C ATOM 694 CG LEU A 72 -0.841 65.990 31.075 1.00 41.53 C ATOM 695 CD1 LEU A 72 -0.358 66.452 29.712 1.00 44.05 C ATOM 696 CD2 LEU A 72 -1.572 64.671 30.925 1.00 40.62 C ATOM 697 H LEU A 72 2.383 65.783 33.672 1.00 0.00 H ATOM 698 N ALA A 73 -0.093 68.110 34.125 1.00 34.50 N ATOM 699 CA ALA A 73 -1.023 69.097 34.685 1.00 40.22 C ATOM 700 C ALA A 73 -0.505 70.520 34.549 1.00 39.68 C ATOM 701 O ALA A 73 -1.229 71.411 34.072 1.00 41.61 O ATOM 702 CB ALA A 73 -1.343 68.788 36.149 1.00 40.83 C ATOM 703 H ALA A 73 0.267 67.345 34.731 1.00 0.00 H ATOM 704 N PHE A 74 0.740 70.729 34.954 1.00 36.79 N ATOM 705 CA PHE A 74 1.355 72.051 34.811 1.00 36.47 C ATOM 706 C PHE A 74 1.589 72.431 33.350 1.00 35.36 C ATOM 707 O PHE A 74 1.416 73.593 32.978 1.00 42.00 O ATOM 708 CB PHE A 74 2.639 72.168 35.673 1.00 34.91 C ATOM 709 CG PHE A 74 2.360 72.172 37.152 1.00 35.17 C ATOM 710 CD1 PHE A 74 1.672 73.237 37.739 1.00 38.07 C ATOM 711 CD2 PHE A 74 2.702 71.100 37.958 1.00 35.45 C ATOM 712 CE1 PHE A 74 1.364 73.233 39.094 1.00 37.78 C ATOM 713 CE2 PHE A 74 2.396 71.095 39.323 1.00 35.07 C ATOM 714 CZ PHE A 74 1.736 72.162 39.883 1.00 36.89 C ATOM 715 H PHE A 74 1.284 69.949 35.376 1.00 0.00 H ATOM 716 N GLY A 75 1.907 71.451 32.509 1.00 33.34 N ATOM 717 CA GLY A 75 2.015 71.678 31.076 1.00 33.72 C ATOM 718 C GLY A 75 0.692 72.144 30.473 1.00 34.43 C ATOM 719 O GLY A 75 0.651 73.140 29.743 1.00 34.53 O ATOM 720 H GLY A 75 2.083 70.498 32.885 1.00 0.00 H ATOM 721 N LEU A 76 -0.391 71.445 30.811 1.00 36.33 N ATOM 722 CA LEU A 76 -1.751 71.874 30.408 1.00 41.03 C ATOM 723 C LEU A 76 -2.120 73.219 30.994 1.00 41.40 C ATOM 724 O LEU A 76 -2.696 74.063 30.322 1.00 42.92 O ATOM 725 CB LEU A 76 -2.786 70.850 30.843 1.00 43.91 C ATOM 726 CG LEU A 76 -2.707 69.477 30.170 1.00 45.44 C ATOM 727 CD1 LEU A 76 -3.605 68.503 30.918 1.00 45.26 C ATOM 728 CD2 LEU A 76 -3.078 69.524 28.700 1.00 46.31 C ATOM 729 H LEU A 76 -0.279 70.576 31.372 1.00 0.00 H ATOM 730 N SER A 77 -1.758 73.432 32.250 1.00 45.35 N ATOM 731 CA SER A 77 -2.043 74.700 32.918 1.00 46.36 C ATOM 732 C SER A 77 -1.340 75.884 32.250 1.00 48.39 C ATOM 733 O SER A 77 -1.964 76.920 32.013 1.00 48.03 O ATOM 734 CB SER A 77 -1.634 74.620 34.388 1.00 46.87 C ATOM 735 OG SER A 77 -1.986 75.808 35.057 1.00 45.33 O ATOM 736 HG SER A 77 -2.966 75.940 35.000 1.00 0.00 H ATOM 737 H SER A 77 -1.261 72.682 32.771 1.00 0.00 H ATOM 738 N ILE A 78 -0.044 75.728 31.960 1.00 48.13 N ATOM 739 CA ILE A 78 0.720 76.769 31.258 1.00 46.39 C ATOM 740 C ILE A 78 0.071 77.040 29.884 1.00 46.11 C ATOM 741 O ILE A 78 -0.082 78.190 29.489 1.00 42.61 O ATOM 742 CB ILE A 78 2.205 76.383 31.083 1.00 43.26 C ATOM 743 CG1 ILE A 78 2.924 76.292 32.441 1.00 46.23 C ATOM 744 CG2 ILE A 78 2.945 77.401 30.231 1.00 44.03 C ATOM 745 CD1 ILE A 78 4.103 75.343 32.431 1.00 46.63 C ATOM 746 H ILE A 78 0.435 74.848 32.238 1.00 0.00 H ATOM 747 N ALA A 79 -0.294 75.979 29.171 1.00 44.69 N ATOM 748 CA ALA A 79 -0.990 76.113 27.880 1.00 50.57 C ATOM 749 C ALA A 79 -2.257 76.968 27.959 1.00 50.79 C ATOM 750 O ALA A 79 -2.403 77.918 27.187 1.00 51.52 O ATOM 751 CB ALA A 79 -1.317 74.739 27.299 1.00 52.34 C ATOM 752 H ALA A 79 -0.082 75.028 29.535 1.00 0.00 H ATOM 753 N ASN A 80 -3.147 76.649 28.905 1.00 51.07 N ATOM 754 CA ASN A 80 -4.393 77.417 29.095 1.00 53.03 C ATOM 755 C ASN A 80 -4.149 78.848 29.504 1.00 53.74 C ATOM 756 O ASN A 80 -4.806 79.762 28.997 1.00 55.47 O ATOM 757 CB ASN A 80 -5.289 76.775 30.150 1.00 52.22 C ATOM 758 CG ASN A 80 -5.890 75.469 29.688 1.00 52.50 C ATOM 759 OD1 ASN A 80 -5.987 75.208 28.494 1.00 56.70 O ATOM 760 ND2 ASN A 80 -6.301 74.639 30.636 1.00 53.11 N ATOM 761 HD22 ASN A 80 -6.199 74.902 31.637 1.00 0.00 H ATOM 762 HD21 ASN A 80 -6.725 73.725 30.379 1.00 0.00 H ATOM 763 H ASN A 80 -2.956 75.836 29.525 1.00 0.00 H ATOM 764 N GLN A 81 -3.204 79.036 30.421 1.00 52.51 N ATOM 765 CA GLN A 81 -2.869 80.368 30.933 1.00 55.41 C ATOM 766 C GLN A 81 -2.329 81.292 29.854 1.00 56.54 C ATOM 767 O GLN A 81 -2.601 82.487 29.889 1.00 64.63 O ATOM 768 CB GLN A 81 -1.846 80.286 32.067 1.00 56.52 C ATOM 769 CG GLN A 81 -2.425 79.842 33.392 1.00 57.30 C ATOM 770 CD GLN A 81 -1.345 79.782 34.459 1.00 53.94 C ATOM 771 OE1 GLN A 81 -0.902 80.816 34.936 1.00 53.73 O ATOM 772 NE2 GLN A 81 -0.921 78.581 34.824 1.00 50.04 N ATOM 773 HE22 GLN A 81 -1.330 77.730 34.388 1.00 0.00 H ATOM 774 HE21 GLN A 81 -0.179 78.489 35.547 1.00 0.00 H ATOM 775 H GLN A 81 -2.686 78.211 30.786 1.00 0.00 H ATOM 776 N GLN A 82 -1.554 80.737 28.926 1.00 57.01 N ATOM 777 CA GLN A 82 -1.014 81.497 27.795 1.00 59.28 C ATOM 778 C GLN A 82 -2.007 81.660 26.638 1.00 63.26 C ATOM 779 O GLN A 82 -1.858 82.571 25.819 1.00 65.73 O ATOM 780 CB GLN A 82 0.264 80.839 27.281 1.00 57.02 C ATOM 781 CG GLN A 82 1.441 81.016 28.203 1.00 54.93 C ATOM 782 CD GLN A 82 2.734 80.474 27.631 1.00 53.36 C ATOM 783 OE1 GLN A 82 2.767 79.882 26.546 1.00 58.89 O ATOM 784 NE2 GLN A 82 3.808 80.664 28.363 1.00 52.75 N ATOM 785 HE22 GLN A 82 3.737 81.167 29.270 1.00 0.00 H ATOM 786 HE21 GLN A 82 4.730 80.311 28.035 1.00 0.00 H ATOM 787 H GLN A 82 -1.323 79.726 29.006 1.00 0.00 H ATOM 788 N GLY A 83 -3.013 80.784 26.573 1.00 72.06 N ATOM 789 CA GLY A 83 -4.000 80.760 25.472 1.00 66.34 C ATOM 790 C GLY A 83 -3.587 79.679 24.490 1.00 64.35 C ATOM 791 O GLY A 83 -2.449 79.664 24.029 1.00 63.40 O ATOM 792 H GLY A 83 -3.107 80.083 27.335 1.00 0.00 H ATOM 793 N PHE A 84 -4.483 78.734 24.229 1.00 64.98 N ATOM 794 CA PHE A 84 -4.169 77.575 23.396 1.00 64.25 C ATOM 795 C PHE A 84 -5.317 77.326 22.424 1.00 63.95 C ATOM 796 O PHE A 84 -6.286 76.643 22.751 1.00 61.96 O ATOM 797 CB PHE A 84 -3.899 76.352 24.281 1.00 60.96 C ATOM 798 CG PHE A 84 -3.018 75.327 23.642 1.00 58.68 C ATOM 799 CD1 PHE A 84 -1.642 75.489 23.662 1.00 57.36 C ATOM 800 CD2 PHE A 84 -3.551 74.198 23.032 1.00 55.80 C ATOM 801 CE1 PHE A 84 -0.810 74.541 23.091 1.00 58.89 C ATOM 802 CE2 PHE A 84 -2.719 73.244 22.460 1.00 55.09 C ATOM 803 CZ PHE A 84 -1.350 73.416 22.486 1.00 56.09 C ATOM 804 H PHE A 84 -5.438 78.822 24.630 1.00 0.00 H ATOM 805 N GLU A 85 -5.199 77.930 21.243 1.00 65.32 N ATOM 806 CA GLU A 85 -6.225 77.882 20.201 1.00 69.07 C ATOM 807 C GLU A 85 -5.952 76.719 19.239 1.00 68.03 C ATOM 808 O GLU A 85 -5.059 75.897 19.474 1.00 59.53 O ATOM 809 CB GLU A 85 -6.268 79.218 19.424 1.00 70.23 C ATOM 810 CG GLU A 85 -6.340 80.477 20.285 1.00 71.46 C ATOM 811 CD GLU A 85 -7.642 80.606 21.065 1.00 74.59 C ATOM 812 OE1 GLU A 85 -8.470 79.668 21.053 1.00 75.78 O ATOM 813 OE2 GLU A 85 -7.848 81.659 21.708 1.00 85.82 O ATOM 814 H GLU A 85 -4.329 78.466 21.051 1.00 0.00 H ATOM 815 N GLU A 86 -6.742 76.658 18.169 1.00 61.70 N ATOM 816 CA GLU A 86 -6.563 75.689 17.085 1.00 62.05 C ATOM 817 C GLU A 86 -5.170 75.693 16.458 1.00 58.36 C ATOM 818 O GLU A 86 -4.581 74.635 16.280 1.00 56.56 O ATOM 819 CB GLU A 86 -7.622 75.946 16.019 1.00 65.34 C ATOM 820 CG GLU A 86 -8.005 74.751 15.163 1.00 66.57 C ATOM 821 CD GLU A 86 -9.382 74.908 14.537 1.00 71.95 C ATOM 822 OE1 GLU A 86 -9.925 76.042 14.537 1.00 74.21 O ATOM 823 OE2 GLU A 86 -9.926 73.890 14.050 1.00 72.75 O ATOM 824 H GLU A 86 -7.529 77.335 18.099 1.00 0.00 H ATOM 825 N TYR A 87 -4.659 76.881 16.129 1.00 58.93 N ATOM 826 CA TYR A 87 -3.331 77.024 15.548 1.00 61.38 C ATOM 827 C TYR A 87 -2.254 76.430 16.480 1.00 60.65 C ATOM 828 O TYR A 87 -1.268 75.854 16.011 1.00 58.02 O ATOM 829 CB TYR A 87 -3.029 78.493 15.200 1.00 67.36 C ATOM 830 CG TYR A 87 -1.567 78.745 14.860 1.00 75.78 C ATOM 831 CD1 TYR A 87 -0.630 79.003 15.870 1.00 74.26 C ATOM 832 CD2 TYR A 87 -1.111 78.697 13.534 1.00 79.54 C ATOM 833 CE1 TYR A 87 0.713 79.207 15.575 1.00 76.73 C ATOM 834 CE2 TYR A 87 0.232 78.912 13.227 1.00 82.93 C ATOM 835 CZ TYR A 87 1.140 79.164 14.256 1.00 83.06 C ATOM 836 OH TYR A 87 2.467 79.375 13.966 1.00 92.08 O ATOM 837 HH TYR A 87 2.965 79.537 14.806 1.00 0.00 H ATOM 838 H TYR A 87 -5.229 77.735 16.293 1.00 0.00 H ATOM 839 N ASP A 88 -2.464 76.563 17.789 1.00 58.31 N ATOM 840 CA ASP A 88 -1.545 76.002 18.794 1.00 58.77 C ATOM 841 C ASP A 88 -1.646 74.477 18.835 1.00 56.83 C ATOM 842 O ASP A 88 -0.619 73.792 18.914 1.00 51.35 O ATOM 843 CB ASP A 88 -1.815 76.588 20.179 1.00 57.58 C ATOM 844 CG ASP A 88 -1.806 78.101 20.182 1.00 60.60 C ATOM 845 OD1 ASP A 88 -0.700 78.667 20.025 1.00 55.82 O ATOM 846 OD2 ASP A 88 -2.903 78.714 20.312 1.00 68.44 O ATOM 847 H ASP A 88 -3.306 77.081 18.112 1.00 0.00 H ATOM 848 N ARG A 89 -2.874 73.962 18.734 1.00 54.90 N ATOM 849 CA ARG A 89 -3.099 72.525 18.669 1.00 56.04 C ATOM 850 C ARG A 89 -2.476 71.939 17.404 1.00 58.31 C ATOM 851 O ARG A 89 -1.757 70.939 17.481 1.00 59.47 O ATOM 852 CB ARG A 89 -4.589 72.192 18.747 1.00 63.20 C ATOM 853 CG ARG A 89 -5.198 72.489 20.108 1.00 69.13 C ATOM 854 CD ARG A 89 -6.664 72.062 20.205 1.00 75.69 C ATOM 855 NE ARG A 89 -7.589 72.614 19.184 1.00 80.87 N ATOM 856 CZ ARG A 89 -8.311 73.740 19.248 1.00 74.89 C ATOM 857 NH1 ARG A 89 -8.235 74.577 20.275 1.00 75.24 N ATOM 858 NH2 ARG A 89 -9.098 74.053 18.222 1.00 79.30 N ATOM 859 HE ARG A 89 -7.689 72.058 18.311 1.00 0.00 H ATOM 860 HH12 ARG A 89 -8.813 75.441 20.285 1.00 0.00 H ATOM 861 HH11 ARG A 89 -7.597 74.369 21.069 1.00 0.00 H ATOM 862 HH22 ARG A 89 -9.668 74.923 18.250 1.00 0.00 H ATOM 863 HH21 ARG A 89 -9.144 73.428 17.392 1.00 0.00 H ATOM 864 H ARG A 89 -3.691 74.604 18.701 1.00 0.00 H ATOM 865 N ASP A 90 -2.712 72.578 16.254 1.00 57.42 N ATOM 866 CA ASP A 90 -2.081 72.165 14.989 1.00 56.30 C ATOM 867 C ASP A 90 -0.565 72.033 15.132 1.00 54.90 C ATOM 868 O ASP A 90 0.017 71.024 14.737 1.00 49.65 O ATOM 869 CB ASP A 90 -2.377 73.163 13.873 1.00 58.74 C ATOM 870 CG ASP A 90 -3.803 73.051 13.341 1.00 63.16 C ATOM 871 OD1 ASP A 90 -4.585 72.243 13.888 1.00 62.16 O ATOM 872 OD2 ASP A 90 -4.133 73.781 12.375 1.00 62.22 O ATOM 873 H ASP A 90 -3.361 73.391 16.252 1.00 0.00 H ATOM 874 N LEU A 91 0.059 73.072 15.679 1.00 54.31 N ATOM 875 CA LEU A 91 1.508 73.128 15.787 1.00 55.42 C ATOM 876 C LEU A 91 2.029 72.056 16.763 1.00 52.63 C ATOM 877 O LEU A 91 3.074 71.465 16.537 1.00 48.81 O ATOM 878 CB LEU A 91 1.941 74.539 16.197 1.00 58.13 C ATOM 879 CG LEU A 91 3.433 74.883 16.215 1.00 58.60 C ATOM 880 CD1 LEU A 91 4.147 74.405 14.954 1.00 58.88 C ATOM 881 CD2 LEU A 91 3.612 76.388 16.398 1.00 59.89 C ATOM 882 H LEU A 91 -0.506 73.867 16.040 1.00 0.00 H ATOM 883 N PHE A 92 1.261 71.781 17.816 1.00 51.04 N ATOM 884 CA PHE A 92 1.607 70.720 18.746 1.00 47.50 C ATOM 885 C PHE A 92 1.710 69.362 18.072 1.00 46.63 C ATOM 886 O PHE A 92 2.717 68.662 18.236 1.00 45.95 O ATOM 887 CB PHE A 92 0.636 70.638 19.930 1.00 47.09 C ATOM 888 CG PHE A 92 0.753 69.358 20.692 1.00 42.99 C ATOM 889 CD1 PHE A 92 1.794 69.176 21.604 1.00 42.01 C ATOM 890 CD2 PHE A 92 -0.125 68.315 20.456 1.00 41.70 C ATOM 891 CE1 PHE A 92 1.926 67.981 22.296 1.00 40.55 C ATOM 892 CE2 PHE A 92 -0.002 67.118 21.130 1.00 41.20 C ATOM 893 CZ PHE A 92 1.040 66.937 22.038 1.00 41.37 C ATOM 894 H PHE A 92 0.397 72.337 17.976 1.00 0.00 H ATOM 895 N PHE A 93 0.675 68.978 17.345 1.00 47.52 N ATOM 896 CA PHE A 93 0.679 67.676 16.665 1.00 49.97 C ATOM 897 C PHE A 93 1.748 67.595 15.567 1.00 49.00 C ATOM 898 O PHE A 93 2.304 66.536 15.337 1.00 46.86 O ATOM 899 CB PHE A 93 -0.716 67.310 16.119 1.00 50.11 C ATOM 900 CG PHE A 93 -1.686 66.943 17.195 1.00 50.57 C ATOM 901 CD1 PHE A 93 -1.618 65.700 17.814 1.00 49.21 C ATOM 902 CD2 PHE A 93 -2.644 67.848 17.626 1.00 51.07 C ATOM 903 CE1 PHE A 93 -2.507 65.358 18.828 1.00 47.46 C ATOM 904 CE2 PHE A 93 -3.529 67.517 18.646 1.00 52.16 C ATOM 905 CZ PHE A 93 -3.448 66.272 19.261 1.00 49.19 C ATOM 906 H PHE A 93 -0.150 69.604 17.254 1.00 0.00 H ATOM 907 N GLU A 94 2.033 68.712 14.910 1.00 51.22 N ATOM 908 CA GLU A 94 3.153 68.772 13.985 1.00 57.63 C ATOM 909 C GLU A 94 4.496 68.594 14.729 1.00 54.78 C ATOM 910 O GLU A 94 5.322 67.817 14.284 1.00 58.39 O ATOM 911 CB GLU A 94 3.134 70.075 13.189 1.00 63.86 C ATOM 912 CG GLU A 94 4.115 70.093 12.035 1.00 75.80 C ATOM 913 CD GLU A 94 4.034 71.387 11.251 1.00 86.59 C ATOM 914 OE1 GLU A 94 2.941 71.699 10.739 1.00 84.07 O ATOM 915 OE2 GLU A 94 5.060 72.091 11.151 1.00 96.49 O ATOM 916 H GLU A 94 1.446 69.558 15.059 1.00 0.00 H ATOM 917 N SER A 95 4.696 69.277 15.855 1.00 50.73 N ATOM 918 CA SER A 95 5.942 69.110 16.653 1.00 51.11 C ATOM 919 C SER A 95 6.083 67.695 17.191 1.00 47.79 C ATOM 920 O SER A 95 7.158 67.089 17.085 1.00 48.19 O ATOM 921 CB SER A 95 6.020 70.092 17.820 1.00 48.23 C ATOM 922 OG SER A 95 5.768 71.417 17.383 1.00 51.74 O ATOM 923 HG SER A 95 4.863 71.465 16.985 1.00 0.00 H ATOM 924 H SER A 95 3.966 69.941 16.184 1.00 0.00 H ATOM 925 N PHE A 96 4.988 67.149 17.717 1.00 45.57 N ATOM 926 CA PHE A 96 4.996 65.787 18.229 1.00 46.21 C ATOM 927 C PHE A 96 5.387 64.778 17.160 1.00 50.40 C ATOM 928 O PHE A 96 6.282 63.954 17.373 1.00 45.44 O ATOM 929 CB PHE A 96 3.644 65.404 18.799 1.00 48.11 C ATOM 930 CG PHE A 96 3.682 64.141 19.582 1.00 52.70 C ATOM 931 CD1 PHE A 96 4.070 64.168 20.911 1.00 53.41 C ATOM 932 CD2 PHE A 96 3.387 62.915 18.992 1.00 58.58 C ATOM 933 CE1 PHE A 96 4.129 63.008 21.661 1.00 56.53 C ATOM 934 CE2 PHE A 96 3.447 61.747 19.740 1.00 63.95 C ATOM 935 CZ PHE A 96 3.822 61.796 21.077 1.00 59.33 C ATOM 936 H PHE A 96 4.111 67.706 17.763 1.00 0.00 H ATOM 937 N ASP A 97 4.702 64.851 16.018 1.00 50.60 N ATOM 938 CA ASP A 97 4.976 64.001 14.860 1.00 54.06 C ATOM 939 C ASP A 97 6.390 64.153 14.319 1.00 51.59 C ATOM 940 O ASP A 97 6.938 63.199 13.777 1.00 54.20 O ATOM 941 CB ASP A 97 3.990 64.365 13.722 1.00 61.30 C ATOM 942 CG ASP A 97 4.096 63.440 12.517 1.00 69.51 C ATOM 943 OD1 ASP A 97 3.660 62.301 12.688 1.00 79.74 O ATOM 944 OD2 ASP A 97 4.585 63.818 11.413 1.00 86.69 O ATOM 945 H ASP A 97 3.934 65.548 15.947 1.00 0.00 H ATOM 946 N GLU A 98 6.957 65.356 14.431 1.00 52.32 N ATOM 947 CA GLU A 98 8.291 65.675 13.892 1.00 55.72 C ATOM 948 C GLU A 98 9.417 65.511 14.922 1.00 57.55 C ATOM 949 O GLU A 98 10.565 65.865 14.648 1.00 63.06 O ATOM 950 CB GLU A 98 8.282 67.104 13.300 1.00 61.38 C ATOM 951 CG GLU A 98 8.508 67.213 11.789 1.00 75.23 C ATOM 952 CD GLU A 98 7.755 68.370 11.129 1.00 79.34 C ATOM 953 OE1 GLU A 98 8.034 69.552 11.433 1.00 82.81 O ATOM 954 OE2 GLU A 98 6.888 68.103 10.275 1.00 94.54 O ATOM 955 H GLU A 98 6.431 66.106 14.923 1.00 0.00 H ATOM 956 N GLU A 99 9.104 64.970 16.100 1.00 55.17 N ATOM 957 CA GLU A 99 10.096 64.783 17.161 1.00 48.61 C ATOM 958 C GLU A 99 10.774 63.430 17.005 1.00 45.64 C ATOM 959 O GLU A 99 10.112 62.396 17.171 1.00 48.60 O ATOM 960 CB GLU A 99 9.420 64.866 18.534 1.00 46.61 C ATOM 961 CG GLU A 99 10.350 64.660 19.714 1.00 48.43 C ATOM 962 CD GLU A 99 11.563 65.557 19.644 1.00 52.02 C ATOM 963 OE1 GLU A 99 11.359 66.782 19.653 1.00 47.97 O ATOM 964 OE2 GLU A 99 12.706 65.034 19.591 1.00 52.52 O ATOM 965 H GLU A 99 8.123 64.671 16.271 1.00 0.00 H ATOM 966 N TYR A 100 12.065 63.436 16.669 1.00 43.04 N ATOM 967 CA TYR A 100 12.806 62.196 16.394 1.00 44.06 C ATOM 968 C TYR A 100 13.872 61.823 17.428 1.00 40.76 C ATOM 969 O TYR A 100 14.380 60.702 17.389 1.00 40.23 O ATOM 970 CB TYR A 100 13.514 62.273 15.012 1.00 46.94 C ATOM 971 CG TYR A 100 12.708 62.910 13.894 1.00 50.38 C ATOM 972 CD1 TYR A 100 11.481 62.355 13.523 1.00 54.93 C ATOM 973 CD2 TYR A 100 13.156 64.038 13.187 1.00 49.90 C ATOM 974 CE1 TYR A 100 10.710 62.881 12.496 1.00 53.15 C ATOM 975 CE2 TYR A 100 12.387 64.571 12.152 1.00 53.95 C ATOM 976 CZ TYR A 100 11.160 63.995 11.821 1.00 54.04 C ATOM 977 OH TYR A 100 10.383 64.517 10.814 1.00 61.12 O ATOM 978 HH TYR A 100 9.556 63.980 10.725 1.00 0.00 H ATOM 979 H TYR A 100 12.563 64.346 16.599 1.00 0.00 H ATOM 980 N PHE A 101 14.189 62.738 18.337 1.00 40.46 N ATOM 981 CA PHE A 101 15.264 62.546 19.331 1.00 40.25 C ATOM 982 C PHE A 101 14.789 62.092 20.699 1.00 40.01 C ATOM 983 O PHE A 101 15.508 61.346 21.361 1.00 37.49 O ATOM 984 CB PHE A 101 16.127 63.797 19.429 1.00 38.90 C ATOM 985 CG PHE A 101 16.937 64.023 18.192 1.00 41.73 C ATOM 986 CD1 PHE A 101 18.046 63.215 17.917 1.00 45.14 C ATOM 987 CD2 PHE A 101 16.559 64.976 17.252 1.00 46.56 C ATOM 988 CE1 PHE A 101 18.793 63.387 16.743 1.00 48.56 C ATOM 989 CE2 PHE A 101 17.289 65.146 16.076 1.00 49.75 C ATOM 990 CZ PHE A 101 18.403 64.351 15.814 1.00 48.90 C ATOM 991 H PHE A 101 13.656 63.631 18.349 1.00 0.00 H ATOM 992 N LEU A 102 13.565 62.440 21.098 1.00 37.03 N ATOM 993 CA LEU A 102 13.061 61.991 22.401 1.00 37.72 C ATOM 994 C LEU A 102 12.475 60.574 22.371 1.00 38.17 C ATOM 995 O LEU A 102 11.266 60.381 22.554 1.00 43.24 O ATOM 996 CB LEU A 102 12.019 62.977 22.941 1.00 40.88 C ATOM 997 CG LEU A 102 12.466 64.422 23.122 1.00 39.67 C ATOM 998 CD1 LEU A 102 11.259 65.277 23.472 1.00 38.06 C ATOM 999 CD2 LEU A 102 13.553 64.541 24.196 1.00 37.39 C ATOM 1000 H LEU A 102 12.967 63.030 20.485 1.00 0.00 H ATOM 1001 N ASP A 103 13.336 59.582 22.191 1.00 39.26 N ATOM 1002 CA ASP A 103 12.935 58.173 22.136 1.00 41.03 C ATOM 1003 C ASP A 103 13.368 57.426 23.415 1.00 38.98 C ATOM 1004 O ASP A 103 13.993 58.001 24.299 1.00 42.15 O ATOM 1005 CB ASP A 103 13.464 57.508 20.846 1.00 45.96 C ATOM 1006 CG ASP A 103 14.991 57.444 20.778 1.00 50.67 C ATOM 1007 OD1 ASP A 103 15.679 57.918 21.730 1.00 56.52 O ATOM 1008 OD2 ASP A 103 15.495 56.896 19.774 1.00 57.63 O ATOM 1009 H ASP A 103 14.344 59.815 22.084 1.00 0.00 H ATOM 1010 N PHE A 104 13.041 56.139 23.492 1.00 41.87 N ATOM 1011 CA PHE A 104 13.290 55.314 24.687 1.00 43.33 C ATOM 1012 C PHE A 104 14.766 55.337 25.177 1.00 41.40 C ATOM 1013 O PHE A 104 15.005 55.688 26.329 1.00 38.76 O ATOM 1014 CB PHE A 104 12.748 53.888 24.431 1.00 47.03 C ATOM 1015 CG PHE A 104 12.930 52.933 25.563 1.00 50.62 C ATOM 1016 CD1 PHE A 104 14.121 52.208 25.701 1.00 62.03 C ATOM 1017 CD2 PHE A 104 11.903 52.704 26.471 1.00 50.05 C ATOM 1018 CE1 PHE A 104 14.291 51.302 26.749 1.00 63.10 C ATOM 1019 CE2 PHE A 104 12.060 51.798 27.513 1.00 56.35 C ATOM 1020 CZ PHE A 104 13.256 51.098 27.657 1.00 59.64 C ATOM 1021 H PHE A 104 12.588 55.694 22.669 1.00 0.00 H ATOM 1022 N PRO A 105 15.749 55.001 24.317 1.00 38.99 N ATOM 1023 CA PRO A 105 17.163 54.979 24.795 1.00 40.47 C ATOM 1024 C PRO A 105 17.645 56.326 25.297 1.00 39.88 C ATOM 1025 O PRO A 105 18.353 56.384 26.316 1.00 37.46 O ATOM 1026 CB PRO A 105 17.966 54.577 23.568 1.00 42.17 C ATOM 1027 CG PRO A 105 16.975 54.064 22.574 1.00 42.62 C ATOM 1028 CD PRO A 105 15.640 54.611 22.906 1.00 41.73 C ATOM 1029 N TYR A 106 17.233 57.394 24.621 1.00 35.58 N ATOM 1030 CA TYR A 106 17.583 58.732 25.059 1.00 37.05 C ATOM 1031 C TYR A 106 16.995 59.033 26.438 1.00 40.84 C ATOM 1032 O TYR A 106 17.686 59.557 27.326 1.00 38.07 O ATOM 1033 CB TYR A 106 17.110 59.784 24.054 1.00 37.83 C ATOM 1034 CG TYR A 106 17.332 61.192 24.541 1.00 38.06 C ATOM 1035 CD1 TYR A 106 18.583 61.801 24.431 1.00 38.03 C ATOM 1036 CD2 TYR A 106 16.297 61.911 25.152 1.00 37.02 C ATOM 1037 CE1 TYR A 106 18.798 63.093 24.912 1.00 39.49 C ATOM 1038 CE2 TYR A 106 16.498 63.195 25.636 1.00 37.13 C ATOM 1039 CZ TYR A 106 17.750 63.778 25.511 1.00 40.93 C ATOM 1040 OH TYR A 106 17.931 65.048 25.965 1.00 49.17 O ATOM 1041 HH TYR A 106 18.869 65.323 25.807 1.00 0.00 H ATOM 1042 H TYR A 106 16.652 57.269 23.767 1.00 0.00 H ATOM 1043 N LEU A 107 15.707 58.736 26.599 1.00 42.52 N ATOM 1044 CA LEU A 107 15.013 59.060 27.844 1.00 40.44 C ATOM 1045 C LEU A 107 15.451 58.187 29.040 1.00 36.69 C ATOM 1046 O LEU A 107 15.255 58.605 30.170 1.00 33.90 O ATOM 1047 CB LEU A 107 13.500 58.983 27.652 1.00 37.61 C ATOM 1048 CG LEU A 107 12.902 59.976 26.645 1.00 39.78 C ATOM 1049 CD1 LEU A 107 11.494 59.547 26.240 1.00 41.61 C ATOM 1050 CD2 LEU A 107 12.907 61.405 27.170 1.00 36.35 C ATOM 1051 H LEU A 107 15.188 58.267 25.829 1.00 0.00 H ATOM 1052 N ARG A 108 15.992 56.999 28.769 1.00 36.60 N ATOM 1053 CA ARG A 108 16.572 56.106 29.778 1.00 40.76 C ATOM 1054 C ARG A 108 18.013 56.482 30.187 1.00 36.45 C ATOM 1055 O ARG A 108 18.559 55.882 31.101 1.00 38.62 O ATOM 1056 CB ARG A 108 16.645 54.655 29.256 1.00 46.25 C ATOM 1057 CG ARG A 108 15.329 53.958 28.963 1.00 60.13 C ATOM 1058 CD ARG A 108 14.377 53.844 30.143 1.00 64.29 C ATOM 1059 NE ARG A 108 14.961 53.086 31.264 1.00 66.99 N ATOM 1060 CZ ARG A 108 14.301 52.535 32.278 1.00 74.69 C ATOM 1061 NH1 ARG A 108 12.980 52.650 32.361 1.00102.66 N ATOM 1062 NH2 ARG A 108 14.970 51.859 33.227 1.00 85.17 N ATOM 1063 HE ARG A 108 15.995 52.970 31.262 1.00 0.00 H ATOM 1064 HH12 ARG A 108 12.469 52.217 33.157 1.00 0.00 H ATOM 1065 HH11 ARG A 108 12.457 53.173 31.630 1.00 0.00 H ATOM 1066 HH22 ARG A 108 14.454 51.428 34.020 1.00 0.00 H ATOM 1067 HH21 ARG A 108 16.004 51.767 33.168 1.00 0.00 H ATOM 1068 H ARG A 108 16.004 56.685 27.778 1.00 0.00 H ATOM 1069 N ASN A 109 18.639 57.405 29.474 1.00 35.23 N ATOM 1070 CA ASN A 109 20.002 57.807 29.747 1.00 39.90 C ATOM 1071 C ASN A 109 19.928 58.896 30.803 1.00 37.31 C ATOM 1072 O ASN A 109 19.273 59.911 30.576 1.00 35.41 O ATOM 1073 CB ASN A 109 20.659 58.328 28.462 1.00 43.56 C ATOM 1074 CG ASN A 109 22.130 58.666 28.640 1.00 46.41 C ATOM 1075 OD1 ASN A 109 22.580 59.022 29.719 1.00 51.23 O ATOM 1076 ND2 ASN A 109 22.875 58.592 27.559 1.00 57.40 N ATOM 1077 HD22 ASN A 109 22.456 58.284 26.658 1.00 0.00 H ATOM 1078 HD21 ASN A 109 23.884 58.841 27.605 1.00 0.00 H ATOM 1079 H ASN A 109 18.132 57.859 28.687 1.00 0.00 H ATOM 1080 N GLN A 110 20.586 58.667 31.948 1.00 35.05 N ATOM 1081 CA GLN A 110 20.618 59.634 33.064 1.00 35.90 C ATOM 1082 C GLN A 110 21.106 61.029 32.642 1.00 35.40 C ATOM 1083 O GLN A 110 20.630 62.035 33.165 1.00 38.25 O ATOM 1084 CB GLN A 110 21.395 59.102 34.312 1.00 37.01 C ATOM 1085 CG GLN A 110 22.823 58.645 34.121 1.00 38.76 C ATOM 1086 CD GLN A 110 22.942 57.169 33.708 1.00 39.49 C ATOM 1087 OE1 GLN A 110 22.210 56.647 32.835 1.00 43.72 O ATOM 1088 NE2 GLN A 110 23.878 56.488 34.337 1.00 43.77 N ATOM 1089 HE22 GLN A 110 24.467 56.955 35.056 1.00 0.00 H ATOM 1090 HE21 GLN A 110 24.028 55.483 34.115 1.00 0.00 H ATOM 1091 H GLN A 110 21.097 57.768 32.056 1.00 0.00 H ATOM 1092 N ASP A 111 21.984 61.102 31.652 1.00 38.99 N ATOM 1093 CA ASP A 111 22.488 62.392 31.150 1.00 42.39 C ATOM 1094 C ASP A 111 21.455 63.274 30.445 1.00 40.56 C ATOM 1095 O ASP A 111 21.678 64.479 30.307 1.00 46.01 O ATOM 1096 CB ASP A 111 23.719 62.180 30.240 1.00 47.68 C ATOM 1097 CG ASP A 111 24.927 61.614 31.009 1.00 52.84 C ATOM 1098 OD1 ASP A 111 25.025 61.848 32.222 1.00 47.00 O ATOM 1099 OD2 ASP A 111 25.755 60.902 30.414 1.00 64.49 O ATOM 1100 H ASP A 111 22.327 60.222 31.216 1.00 0.00 H ATOM 1101 N MET A 112 20.331 62.708 30.026 1.00 40.77 N ATOM 1102 CA MET A 112 19.255 63.521 29.436 1.00 43.64 C ATOM 1103 C MET A 112 18.818 64.671 30.336 1.00 39.47 C ATOM 1104 O MET A 112 18.413 65.726 29.844 1.00 39.52 O ATOM 1105 CB MET A 112 18.054 62.661 29.041 1.00 42.43 C ATOM 1106 CG MET A 112 17.195 62.149 30.181 1.00 51.99 C ATOM 1107 SD MET A 112 15.783 63.190 30.625 1.00 50.44 S ATOM 1108 CE MET A 112 14.897 63.208 29.082 1.00 60.60 C ATOM 1109 H MET A 112 20.209 61.679 30.115 1.00 0.00 H ATOM 1110 N ILE A 113 18.930 64.487 31.648 1.00 35.02 N ATOM 1111 CA ILE A 113 18.553 65.540 32.594 1.00 37.50 C ATOM 1112 C ILE A 113 19.260 66.887 32.327 1.00 36.37 C ATOM 1113 O ILE A 113 18.670 67.940 32.534 1.00 39.60 O ATOM 1114 CB ILE A 113 18.734 65.067 34.078 1.00 39.20 C ATOM 1115 CG1 ILE A 113 17.898 65.909 35.037 1.00 46.81 C ATOM 1116 CG2 ILE A 113 20.193 65.048 34.489 1.00 46.36 C ATOM 1117 CD1 ILE A 113 16.386 65.748 34.855 1.00 45.33 C ATOM 1118 H ILE A 113 19.291 63.581 32.008 1.00 0.00 H ATOM 1119 N TYR A 114 20.506 66.857 31.870 1.00 37.43 N ATOM 1120 CA TYR A 114 21.231 68.094 31.529 1.00 39.72 C ATOM 1121 C TYR A 114 20.611 68.813 30.330 1.00 37.81 C ATOM 1122 O TYR A 114 20.509 70.039 30.316 1.00 35.01 O ATOM 1123 CB TYR A 114 22.729 67.815 31.280 1.00 38.78 C ATOM 1124 CG TYR A 114 23.486 67.390 32.520 1.00 39.04 C ATOM 1125 CD1 TYR A 114 23.740 68.300 33.545 1.00 41.83 C ATOM 1126 CD2 TYR A 114 23.950 66.085 32.681 1.00 36.61 C ATOM 1127 CE1 TYR A 114 24.434 67.924 34.693 1.00 37.70 C ATOM 1128 CE2 TYR A 114 24.641 65.699 33.829 1.00 36.33 C ATOM 1129 CZ TYR A 114 24.874 66.625 34.825 1.00 38.12 C ATOM 1130 OH TYR A 114 25.580 66.278 35.939 1.00 45.45 O ATOM 1131 HH TYR A 114 26.487 65.982 35.675 1.00 0.00 H ATOM 1132 H TYR A 114 20.981 65.940 31.750 1.00 0.00 H ATOM 1133 N ASP A 115 20.240 68.049 29.311 1.00 39.62 N ATOM 1134 CA ASP A 115 19.567 68.620 28.139 1.00 39.46 C ATOM 1135 C ASP A 115 18.283 69.286 28.550 1.00 37.01 C ATOM 1136 O ASP A 115 17.994 70.395 28.115 1.00 40.84 O ATOM 1137 CB ASP A 115 19.258 67.542 27.102 1.00 40.50 C ATOM 1138 CG ASP A 115 20.519 66.945 26.467 1.00 48.44 C ATOM 1139 OD1 ASP A 115 21.563 67.616 26.455 1.00 43.87 O ATOM 1140 OD2 ASP A 115 20.448 65.819 25.950 1.00 50.96 O ATOM 1141 H ASP A 115 20.430 67.027 29.343 1.00 0.00 H ATOM 1142 N MET A 116 17.523 68.605 29.408 1.00 35.27 N ATOM 1143 CA MET A 116 16.251 69.108 29.883 1.00 35.03 C ATOM 1144 C MET A 116 16.413 70.391 30.671 1.00 36.79 C ATOM 1145 O MET A 116 15.605 71.330 30.487 1.00 34.60 O ATOM 1146 CB MET A 116 15.529 68.060 30.715 1.00 34.94 C ATOM 1147 CG MET A 116 15.086 66.827 29.936 1.00 41.39 C ATOM 1148 SD MET A 116 13.866 67.119 28.602 1.00 46.54 S ATOM 1149 CE MET A 116 14.984 67.303 27.217 1.00 48.62 C ATOM 1150 H MET A 116 17.855 67.680 29.748 1.00 0.00 H ATOM 1151 N MET A 117 17.454 70.440 31.519 1.00 36.59 N ATOM 1152 CA MET A 117 17.761 71.639 32.297 1.00 38.05 C ATOM 1153 C MET A 117 18.011 72.823 31.389 1.00 39.11 C ATOM 1154 O MET A 117 17.511 73.911 31.652 1.00 37.46 O ATOM 1155 CB MET A 117 18.981 71.431 33.201 1.00 42.54 C ATOM 1156 CG MET A 117 18.661 70.799 34.540 1.00 46.15 C ATOM 1157 SD MET A 117 20.093 70.803 35.635 1.00 60.93 S ATOM 1158 CE MET A 117 19.387 71.366 37.160 1.00 55.80 C ATOM 1159 H MET A 117 18.059 69.601 31.625 1.00 0.00 H ATOM 1160 N SER A 118 18.824 72.617 30.355 1.00 39.73 N ATOM 1161 CA SER A 118 19.092 73.668 29.365 1.00 42.65 C ATOM 1162 C SER A 118 17.824 74.238 28.749 1.00 45.36 C ATOM 1163 O SER A 118 17.657 75.455 28.659 1.00 52.58 O ATOM 1164 CB SER A 118 19.998 73.133 28.244 1.00 41.70 C ATOM 1165 OG SER A 118 20.437 74.189 27.413 1.00 40.22 O ATOM 1166 HG SER A 118 21.018 73.825 26.699 1.00 0.00 H ATOM 1167 H SER A 118 19.280 71.689 30.246 1.00 0.00 H ATOM 1168 N GLU A 119 16.922 73.352 28.341 1.00 49.28 N ATOM 1169 CA GLU A 119 15.615 73.774 27.844 1.00 41.54 C ATOM 1170 C GLU A 119 14.788 74.498 28.917 1.00 42.46 C ATOM 1171 O GLU A 119 14.077 75.463 28.612 1.00 47.20 O ATOM 1172 CB GLU A 119 14.826 72.586 27.325 1.00 41.26 C ATOM 1173 CG GLU A 119 15.425 71.935 26.089 1.00 48.32 C ATOM 1174 CD GLU A 119 14.431 71.094 25.305 1.00 48.74 C ATOM 1175 OE1 GLU A 119 13.310 71.595 25.015 1.00 63.36 O ATOM 1176 OE2 GLU A 119 14.762 69.927 24.973 1.00 54.03 O ATOM 1177 H GLU A 119 17.151 72.338 28.376 1.00 0.00 H ATOM 1178 N PHE A 120 14.873 74.042 30.162 1.00 38.00 N ATOM 1179 CA PHE A 120 14.122 74.664 31.251 1.00 37.45 C ATOM 1180 C PHE A 120 14.588 76.059 31.669 1.00 38.10 C ATOM 1181 O PHE A 120 13.747 76.840 32.134 1.00 37.03 O ATOM 1182 CB PHE A 120 14.075 73.763 32.482 1.00 38.81 C ATOM 1183 CG PHE A 120 13.448 72.409 32.250 1.00 37.99 C ATOM 1184 CD1 PHE A 120 12.568 72.168 31.195 1.00 41.31 C ATOM 1185 CD2 PHE A 120 13.705 71.374 33.137 1.00 40.65 C ATOM 1186 CE1 PHE A 120 12.006 70.916 31.007 1.00 37.77 C ATOM 1187 CE2 PHE A 120 13.124 70.126 32.966 1.00 39.78 C ATOM 1188 CZ PHE A 120 12.272 69.899 31.903 1.00 38.16 C ATOM 1189 H PHE A 120 15.486 73.227 30.366 1.00 0.00 H ATOM 1190 N TYR A 121 15.873 76.406 31.522 1.00 44.08 N ATOM 1191 CA TYR A 121 16.308 77.803 31.846 1.00 47.15 C ATOM 1192 C TYR A 121 16.228 78.765 30.654 1.00 53.28 C ATOM 1193 O TYR A 121 16.310 79.976 30.839 1.00 48.40 O ATOM 1194 CB TYR A 121 17.622 77.960 32.634 1.00 60.82 C ATOM 1195 CG TYR A 121 18.926 77.456 32.069 1.00 56.63 C ATOM 1196 CD1 TYR A 121 19.720 78.287 31.277 1.00 65.91 C ATOM 1197 CD2 TYR A 121 19.428 76.189 32.411 1.00 59.43 C ATOM 1198 CE1 TYR A 121 20.947 77.853 30.786 1.00 63.20 C ATOM 1199 CE2 TYR A 121 20.659 75.745 31.925 1.00 57.20 C ATOM 1200 CZ TYR A 121 21.409 76.580 31.115 1.00 63.01 C ATOM 1201 OH TYR A 121 22.619 76.153 30.626 1.00 72.33 O ATOM 1202 HH TYR A 121 23.019 76.867 30.070 1.00 0.00 H ATOM 1203 H TYR A 121 16.567 75.709 31.184 1.00 0.00 H ATOM 1204 N ASP A 122 16.000 78.229 29.453 1.00 57.84 N ATOM 1205 CA ASP A 122 15.732 79.040 28.267 1.00 60.45 C ATOM 1206 C ASP A 122 14.354 79.695 28.409 1.00 58.66 C ATOM 1207 O ASP A 122 13.343 79.014 28.534 1.00 51.99 O ATOM 1208 CB ASP A 122 15.773 78.160 27.017 1.00 63.78 C ATOM 1209 CG ASP A 122 15.615 78.941 25.726 1.00 69.39 C ATOM 1210 OD1 ASP A 122 15.584 80.192 25.744 1.00 75.72 O ATOM 1211 OD2 ASP A 122 15.539 78.285 24.672 1.00 76.20 O ATOM 1212 H ASP A 122 16.014 77.193 29.357 1.00 0.00 H ATOM 1213 N ASP A 123 14.336 81.023 28.413 1.00 64.43 N ATOM 1214 CA ASP A 123 13.103 81.791 28.543 1.00 69.17 C ATOM 1215 C ASP A 123 12.201 81.716 27.298 1.00 71.64 C ATOM 1216 O ASP A 123 11.033 82.093 27.371 1.00 67.21 O ATOM 1217 CB ASP A 123 13.412 83.282 28.889 1.00 72.79 C ATOM 1218 CG ASP A 123 14.567 83.878 28.072 1.00 84.90 C ATOM 1219 OD1 ASP A 123 15.072 83.223 27.128 1.00103.44 O ATOM 1220 OD2 ASP A 123 14.973 85.022 28.375 1.00 98.59 O ATOM 1221 H ASP A 123 15.236 81.535 28.320 1.00 0.00 H ATOM 1222 N ASP A 124 12.749 81.243 26.178 1.00 68.17 N ATOM 1223 CA ASP A 124 11.977 80.958 24.966 1.00 67.80 C ATOM 1224 C ASP A 124 11.281 79.588 24.957 1.00 64.41 C ATOM 1225 O ASP A 124 10.556 79.296 24.009 1.00 55.34 O ATOM 1226 CB ASP A 124 12.882 81.046 23.731 1.00 70.91 C ATOM 1227 CG ASP A 124 13.480 82.428 23.529 1.00 71.97 C ATOM 1228 OD1 ASP A 124 12.874 83.436 23.964 1.00 72.26 O ATOM 1229 OD2 ASP A 124 14.560 82.497 22.905 1.00 67.85 O ATOM 1230 H ASP A 124 13.774 81.068 26.164 1.00 0.00 H ATOM 1231 N LEU A 125 11.486 78.752 25.981 1.00 55.34 N ATOM 1232 CA LEU A 125 10.745 77.487 26.085 1.00 50.11 C ATOM 1233 C LEU A 125 9.237 77.718 25.889 1.00 49.71 C ATOM 1234 O LEU A 125 8.644 78.529 26.590 1.00 56.59 O ATOM 1235 CB LEU A 125 10.965 76.825 27.441 1.00 44.78 C ATOM 1236 CG LEU A 125 10.248 75.493 27.675 1.00 42.94 C ATOM 1237 CD1 LEU A 125 10.738 74.457 26.680 1.00 42.52 C ATOM 1238 CD2 LEU A 125 10.429 75.000 29.107 1.00 44.38 C ATOM 1239 H LEU A 125 12.180 79.001 26.714 1.00 0.00 H ATOM 1240 N THR A 126 8.626 76.968 24.981 1.00 46.22 N ATOM 1241 CA THR A 126 7.207 77.173 24.649 1.00 48.29 C ATOM 1242 C THR A 126 6.320 76.193 25.386 1.00 46.91 C ATOM 1243 O THR A 126 6.765 75.130 25.867 1.00 44.64 O ATOM 1244 CB THR A 126 6.942 77.056 23.139 1.00 43.34 C ATOM 1245 OG1 THR A 126 7.254 75.729 22.696 1.00 44.77 O ATOM 1246 CG2 THR A 126 7.792 78.038 22.369 1.00 42.85 C ATOM 1247 HG1 THR A 126 7.082 75.658 21.724 1.00 0.00 H ATOM 1248 H THR A 126 9.160 76.220 24.494 1.00 0.00 H ATOM 1249 N SER A 127 5.062 76.583 25.505 1.00 46.05 N ATOM 1250 CA SER A 127 4.018 75.711 26.042 1.00 46.84 C ATOM 1251 C SER A 127 3.839 74.448 25.190 1.00 44.52 C ATOM 1252 O SER A 127 3.560 73.369 25.722 1.00 43.57 O ATOM 1253 CB SER A 127 2.668 76.485 26.164 1.00 51.64 C ATOM 1254 OG SER A 127 1.555 75.598 26.099 1.00 56.25 O ATOM 1255 HG SER A 127 0.716 76.117 26.179 1.00 0.00 H ATOM 1256 H SER A 127 4.806 77.545 25.206 1.00 0.00 H ATOM 1257 N ILE A 128 3.981 74.589 23.876 1.00 42.80 N ATOM 1258 CA ILE A 128 3.905 73.436 22.987 1.00 42.13 C ATOM 1259 C ILE A 128 5.012 72.433 23.313 1.00 41.26 C ATOM 1260 O ILE A 128 4.746 71.239 23.440 1.00 41.13 O ATOM 1261 CB ILE A 128 4.001 73.848 21.502 1.00 43.79 C ATOM 1262 CG1 ILE A 128 2.701 74.531 21.092 1.00 45.62 C ATOM 1263 CG2 ILE A 128 4.230 72.640 20.603 1.00 43.66 C ATOM 1264 CD1 ILE A 128 2.704 75.146 19.733 1.00 47.95 C ATOM 1265 H ILE A 128 4.149 75.535 23.477 1.00 0.00 H ATOM 1266 N ARG A 129 6.234 72.933 23.471 1.00 39.43 N ATOM 1267 CA ARG A 129 7.406 72.081 23.728 1.00 40.57 C ATOM 1268 C ARG A 129 7.254 71.282 25.017 1.00 35.80 C ATOM 1269 O ARG A 129 7.513 70.076 25.048 1.00 32.69 O ATOM 1270 CB ARG A 129 8.679 72.938 23.768 1.00 43.00 C ATOM 1271 CG ARG A 129 9.970 72.197 24.025 1.00 45.80 C ATOM 1272 CD ARG A 129 10.253 71.130 22.980 1.00 47.36 C ATOM 1273 NE ARG A 129 11.458 70.369 23.297 1.00 47.71 N ATOM 1274 CZ ARG A 129 11.861 69.271 22.656 1.00 49.15 C ATOM 1275 NH1 ARG A 129 11.155 68.764 21.644 1.00 48.55 N ATOM 1276 NH2 ARG A 129 12.981 68.655 23.035 1.00 45.41 N ATOM 1277 HE ARG A 129 12.048 70.709 24.083 1.00 0.00 H ATOM 1278 HH12 ARG A 129 11.486 67.907 21.157 1.00 0.00 H ATOM 1279 HH11 ARG A 129 10.273 69.226 21.342 1.00 0.00 H ATOM 1280 HH22 ARG A 129 13.298 67.799 22.537 1.00 0.00 H ATOM 1281 HH21 ARG A 129 13.538 69.031 23.829 1.00 0.00 H ATOM 1282 H ARG A 129 6.366 73.963 23.411 1.00 0.00 H ATOM 1283 N ARG A 130 6.802 71.956 26.069 1.00 35.50 N ATOM 1284 CA ARG A 130 6.551 71.312 27.365 1.00 36.09 C ATOM 1285 C ARG A 130 5.592 70.146 27.241 1.00 37.16 C ATOM 1286 O ARG A 130 5.770 69.124 27.916 1.00 38.56 O ATOM 1287 CB ARG A 130 5.983 72.320 28.364 1.00 36.84 C ATOM 1288 CG ARG A 130 6.998 73.333 28.895 1.00 39.17 C ATOM 1289 CD ARG A 130 6.365 74.141 30.002 1.00 37.74 C ATOM 1290 NE ARG A 130 7.200 75.237 30.493 1.00 41.67 N ATOM 1291 CZ ARG A 130 7.378 76.403 29.876 1.00 43.19 C ATOM 1292 NH1 ARG A 130 6.789 76.650 28.700 1.00 42.12 N ATOM 1293 NH2 ARG A 130 8.150 77.334 30.435 1.00 38.31 N ATOM 1294 HE ARG A 130 7.694 75.094 31.397 1.00 0.00 H ATOM 1295 HH12 ARG A 130 6.935 77.565 28.227 1.00 0.00 H ATOM 1296 HH11 ARG A 130 6.185 75.927 28.259 1.00 0.00 H ATOM 1297 HH22 ARG A 130 8.293 78.247 29.957 1.00 0.00 H ATOM 1298 HH21 ARG A 130 8.610 77.148 31.349 1.00 0.00 H ATOM 1299 H ARG A 130 6.620 72.975 25.971 1.00 0.00 H ATOM 1300 N LEU A 131 4.579 70.302 26.382 1.00 38.78 N ATOM 1301 CA LEU A 131 3.611 69.228 26.144 1.00 37.82 C ATOM 1302 C LEU A 131 4.192 68.118 25.285 1.00 35.24 C ATOM 1303 O LEU A 131 3.925 66.944 25.527 1.00 35.02 O ATOM 1304 CB LEU A 131 2.316 69.771 25.531 1.00 41.48 C ATOM 1305 CG LEU A 131 1.493 70.679 26.460 1.00 40.71 C ATOM 1306 CD1 LEU A 131 0.418 71.375 25.656 1.00 46.36 C ATOM 1307 CD2 LEU A 131 0.875 69.894 27.609 1.00 39.37 C ATOM 1308 H LEU A 131 4.476 71.203 25.873 1.00 0.00 H ATOM 1309 N VAL A 132 4.955 68.480 24.269 1.00 35.11 N ATOM 1310 CA VAL A 132 5.654 67.477 23.469 1.00 36.36 C ATOM 1311 C VAL A 132 6.542 66.603 24.383 1.00 37.51 C ATOM 1312 O VAL A 132 6.536 65.387 24.258 1.00 35.25 O ATOM 1313 CB VAL A 132 6.500 68.124 22.347 1.00 37.35 C ATOM 1314 CG1 VAL A 132 7.422 67.102 21.695 1.00 37.69 C ATOM 1315 CG2 VAL A 132 5.598 68.743 21.279 1.00 41.50 C ATOM 1316 H VAL A 132 5.059 69.488 24.037 1.00 0.00 H ATOM 1317 N ILE A 133 7.283 67.225 25.307 1.00 36.86 N ATOM 1318 CA ILE A 133 8.176 66.471 26.198 1.00 35.89 C ATOM 1319 C ILE A 133 7.390 65.422 26.981 1.00 35.04 C ATOM 1320 O ILE A 133 7.736 64.244 26.953 1.00 38.85 O ATOM 1321 CB ILE A 133 8.974 67.397 27.139 1.00 38.15 C ATOM 1322 CG1 ILE A 133 10.014 68.189 26.298 1.00 36.73 C ATOM 1323 CG2 ILE A 133 9.660 66.599 28.244 1.00 38.73 C ATOM 1324 CD1 ILE A 133 10.768 69.315 26.986 1.00 37.47 C ATOM 1325 H ILE A 133 7.226 68.260 25.396 1.00 0.00 H ATOM 1326 N VAL A 134 6.341 65.850 27.672 1.00 32.19 N ATOM 1327 CA VAL A 134 5.601 64.942 28.543 1.00 31.81 C ATOM 1328 C VAL A 134 4.875 63.844 27.763 1.00 34.06 C ATOM 1329 O VAL A 134 4.863 62.672 28.187 1.00 32.94 O ATOM 1330 CB VAL A 134 4.655 65.702 29.515 1.00 34.98 C ATOM 1331 CG1 VAL A 134 3.558 66.445 28.792 1.00 38.72 C ATOM 1332 CG2 VAL A 134 4.042 64.751 30.521 1.00 38.61 C ATOM 1333 H VAL A 134 6.043 66.843 27.592 1.00 0.00 H ATOM 1334 N PHE A 135 4.306 64.189 26.609 1.00 33.75 N ATOM 1335 CA PHE A 135 3.639 63.179 25.829 1.00 35.51 C ATOM 1336 C PHE A 135 4.610 62.190 25.204 1.00 33.96 C ATOM 1337 O PHE A 135 4.268 61.022 25.053 1.00 33.69 O ATOM 1338 CB PHE A 135 2.682 63.797 24.791 1.00 38.56 C ATOM 1339 CG PHE A 135 1.391 64.258 25.390 1.00 38.06 C ATOM 1340 CD1 PHE A 135 0.499 63.333 25.916 1.00 39.70 C ATOM 1341 CD2 PHE A 135 1.070 65.604 25.446 1.00 40.23 C ATOM 1342 CE1 PHE A 135 -0.697 63.742 26.482 1.00 42.40 C ATOM 1343 CE2 PHE A 135 -0.122 66.022 26.012 1.00 42.12 C ATOM 1344 CZ PHE A 135 -1.003 65.091 26.533 1.00 44.14 C ATOM 1345 H PHE A 135 4.343 65.174 26.276 1.00 0.00 H ATOM 1346 N LYS A 136 5.783 62.649 24.785 1.00 35.70 N ATOM 1347 CA LYS A 136 6.782 61.713 24.257 1.00 38.97 C ATOM 1348 C LYS A 136 7.317 60.775 25.338 1.00 36.41 C ATOM 1349 O LYS A 136 7.630 59.622 25.032 1.00 37.05 O ATOM 1350 CB LYS A 136 7.940 62.427 23.525 1.00 42.98 C ATOM 1351 CG LYS A 136 7.611 62.969 22.129 1.00 44.75 C ATOM 1352 CD LYS A 136 7.217 61.917 21.086 1.00 52.83 C ATOM 1353 CE LYS A 136 8.394 61.143 20.560 1.00 55.20 C ATOM 1354 NZ LYS A 136 7.947 60.256 19.458 1.00 54.90 N ATOM 1355 HZ1 LYS A 136 7.228 59.595 19.816 1.00 0.00 H ATOM 1356 HZ2 LYS A 136 7.540 60.832 18.694 1.00 0.00 H ATOM 1357 HZ3 LYS A 136 8.761 59.720 19.094 1.00 0.00 H ATOM 1358 H LYS A 136 5.993 63.667 24.831 1.00 0.00 H ATOM 1359 N ILE A 137 7.419 61.242 26.582 1.00 32.51 N ATOM 1360 CA ILE A 137 7.820 60.353 27.673 1.00 32.61 C ATOM 1361 C ILE A 137 6.774 59.266 27.859 1.00 33.48 C ATOM 1362 O ILE A 137 7.103 58.082 27.991 1.00 35.55 O ATOM 1363 CB ILE A 137 8.035 61.127 28.991 1.00 33.04 C ATOM 1364 CG1 ILE A 137 9.289 62.001 28.862 1.00 35.03 C ATOM 1365 CG2 ILE A 137 8.164 60.171 30.168 1.00 30.39 C ATOM 1366 CD1 ILE A 137 9.411 63.077 29.924 1.00 35.40 C ATOM 1367 H ILE A 137 7.213 62.242 26.778 1.00 0.00 H ATOM 1368 N ALA A 138 5.516 59.681 27.852 1.00 34.38 N ATOM 1369 CA ALA A 138 4.389 58.754 27.949 1.00 36.82 C ATOM 1370 C ALA A 138 4.384 57.748 26.815 1.00 37.02 C ATOM 1371 O ALA A 138 4.270 56.547 27.047 1.00 38.67 O ATOM 1372 CB ALA A 138 3.069 59.514 27.960 1.00 36.84 C ATOM 1373 H ALA A 138 5.323 60.700 27.775 1.00 0.00 H ATOM 1374 N GLU A 139 4.522 58.246 25.594 1.00 37.59 N ATOM 1375 CA GLU A 139 4.545 57.388 24.406 1.00 40.11 C ATOM 1376 C GLU A 139 5.673 56.352 24.420 1.00 40.25 C ATOM 1377 O GLU A 139 5.471 55.190 24.054 1.00 42.41 O ATOM 1378 CB GLU A 139 4.661 58.240 23.138 1.00 41.59 C ATOM 1379 CG GLU A 139 4.507 57.461 21.839 1.00 44.38 C ATOM 1380 CD GLU A 139 5.038 58.216 20.640 1.00 48.56 C ATOM 1381 OE1 GLU A 139 6.225 58.604 20.666 1.00 57.10 O ATOM 1382 OE2 GLU A 139 4.289 58.404 19.652 1.00 60.61 O ATOM 1383 H GLU A 139 4.617 59.275 25.476 1.00 0.00 H ATOM 1384 N GLN A 140 6.860 56.778 24.835 1.00 44.06 N ATOM 1385 CA GLN A 140 8.073 55.961 24.708 1.00 42.65 C ATOM 1386 C GLN A 140 8.331 55.067 25.914 1.00 43.74 C ATOM 1387 O GLN A 140 8.721 53.910 25.748 1.00 42.34 O ATOM 1388 CB GLN A 140 9.280 56.867 24.473 1.00 41.85 C ATOM 1389 CG GLN A 140 9.226 57.623 23.150 1.00 42.51 C ATOM 1390 CD GLN A 140 9.424 56.711 21.945 1.00 41.56 C ATOM 1391 OE1 GLN A 140 10.439 56.030 21.832 1.00 42.62 O ATOM 1392 NE2 GLN A 140 8.451 56.682 21.057 1.00 43.68 N ATOM 1393 HE22 GLN A 140 7.607 57.275 21.191 1.00 0.00 H ATOM 1394 HE21 GLN A 140 8.527 56.066 20.223 1.00 0.00 H ATOM 1395 H GLN A 140 6.933 57.722 25.265 1.00 0.00 H ATOM 1396 N LEU A 141 8.125 55.597 27.122 1.00 41.04 N ATOM 1397 CA LEU A 141 8.405 54.846 28.334 1.00 42.32 C ATOM 1398 C LEU A 141 7.183 54.153 28.883 1.00 42.03 C ATOM 1399 O LEU A 141 7.320 53.126 29.543 1.00 43.59 O ATOM 1400 CB LEU A 141 9.068 55.747 29.403 1.00 43.70 C ATOM 1401 CG LEU A 141 10.344 56.480 28.952 1.00 43.94 C ATOM 1402 CD1 LEU A 141 11.116 57.090 30.125 1.00 42.44 C ATOM 1403 CD2 LEU A 141 11.260 55.561 28.171 1.00 44.05 C ATOM 1404 H LEU A 141 7.757 56.567 27.197 1.00 0.00 H ATOM 1405 N TYR A 142 6.003 54.728 28.661 1.00 40.33 N ATOM 1406 CA TYR A 142 4.757 54.196 29.215 1.00 41.04 C ATOM 1407 C TYR A 142 3.789 53.977 28.029 1.00 45.79 C ATOM 1408 O TYR A 142 4.223 53.477 26.997 1.00 47.07 O ATOM 1409 CB TYR A 142 4.232 55.173 30.281 1.00 39.28 C ATOM 1410 CG TYR A 142 5.295 55.561 31.308 1.00 39.22 C ATOM 1411 CD1 TYR A 142 5.659 54.688 32.334 1.00 38.33 C ATOM 1412 CD2 TYR A 142 5.952 56.790 31.238 1.00 37.53 C ATOM 1413 CE1 TYR A 142 6.626 55.035 33.269 1.00 37.23 C ATOM 1414 CE2 TYR A 142 6.941 57.140 32.158 1.00 35.44 C ATOM 1415 CZ TYR A 142 7.272 56.261 33.174 1.00 37.96 C ATOM 1416 OH TYR A 142 8.256 56.617 34.099 1.00 36.09 O ATOM 1417 HH TYR A 142 8.372 55.884 34.754 1.00 0.00 H ATOM 1418 H TYR A 142 5.965 55.585 28.073 1.00 0.00 H ATOM 1419 N THR A 143 2.510 54.321 28.188 1.00 42.83 N ATOM 1420 CA THR A 143 1.644 54.684 27.067 1.00 47.20 C ATOM 1421 C THR A 143 0.923 55.987 27.391 1.00 46.87 C ATOM 1422 O THR A 143 0.795 56.366 28.570 1.00 46.69 O ATOM 1423 CB THR A 143 0.563 53.631 26.746 1.00 46.12 C ATOM 1424 OG1 THR A 143 -0.322 53.490 27.859 1.00 47.54 O ATOM 1425 CG2 THR A 143 1.185 52.292 26.416 1.00 48.02 C ATOM 1426 HG1 THR A 143 0.192 53.200 28.653 1.00 0.00 H ATOM 1427 H THR A 143 2.112 54.331 29.149 1.00 0.00 H ATOM 1428 N ILE A 144 0.478 56.666 26.332 1.00 44.41 N ATOM 1429 CA ILE A 144 -0.303 57.913 26.435 1.00 49.58 C ATOM 1430 C ILE A 144 -1.574 57.639 27.248 1.00 46.42 C ATOM 1431 O ILE A 144 -1.906 58.415 28.150 1.00 46.79 O ATOM 1432 CB ILE A 144 -0.672 58.457 25.018 1.00 53.85 C ATOM 1433 CG1 ILE A 144 0.580 58.699 24.200 1.00 53.37 C ATOM 1434 CG2 ILE A 144 -1.687 59.594 25.070 1.00 52.56 C ATOM 1435 CD1 ILE A 144 0.763 60.032 23.526 1.00 52.70 C ATOM 1436 H ILE A 144 0.693 56.296 25.384 1.00 0.00 H ATOM 1437 N ASP A 145 -2.238 56.527 26.934 1.00 46.49 N ATOM 1438 CA ASP A 145 -3.414 56.050 27.682 1.00 52.64 C ATOM 1439 C ASP A 145 -3.168 55.944 29.190 1.00 54.25 C ATOM 1440 O ASP A 145 -4.005 56.359 29.991 1.00 53.39 O ATOM 1441 CB ASP A 145 -3.869 54.665 27.200 1.00 56.88 C ATOM 1442 CG ASP A 145 -4.914 54.691 26.070 1.00 64.19 C ATOM 1443 OD1 ASP A 145 -5.191 55.744 25.494 1.00 62.42 O ATOM 1444 OD2 ASP A 145 -5.544 53.630 25.823 1.00 61.29 O ATOM 1445 H ASP A 145 -1.910 55.968 26.121 1.00 0.00 H ATOM 1446 N GLN A 146 -2.042 55.359 29.577 1.00 53.25 N ATOM 1447 CA GLN A 146 -1.708 55.253 31.000 1.00 50.51 C ATOM 1448 C GLN A 146 -1.514 56.620 31.630 1.00 46.96 C ATOM 1449 O GLN A 146 -1.928 56.831 32.766 1.00 47.85 O ATOM 1450 CB GLN A 146 -0.472 54.376 31.212 1.00 53.00 C ATOM 1451 CG GLN A 146 -0.784 52.903 31.043 1.00 54.74 C ATOM 1452 CD GLN A 146 0.452 52.057 30.875 1.00 59.77 C ATOM 1453 OE1 GLN A 146 1.230 52.272 29.956 1.00 79.73 O ATOM 1454 NE2 GLN A 146 0.648 51.108 31.766 1.00 60.95 N ATOM 1455 HE22 GLN A 146 -0.042 50.962 32.531 1.00 0.00 H ATOM 1456 HE21 GLN A 146 1.493 50.504 31.705 1.00 0.00 H ATOM 1457 H GLN A 146 -1.391 54.972 28.864 1.00 0.00 H ATOM 1458 N LEU A 147 -0.861 57.537 30.916 1.00 45.18 N ATOM 1459 CA LEU A 147 -0.712 58.909 31.414 1.00 42.85 C ATOM 1460 C LEU A 147 -2.083 59.547 31.608 1.00 43.08 C ATOM 1461 O LEU A 147 -2.381 60.107 32.666 1.00 45.22 O ATOM 1462 CB LEU A 147 0.140 59.773 30.472 1.00 40.09 C ATOM 1463 CG LEU A 147 0.180 61.274 30.812 1.00 40.38 C ATOM 1464 CD1 LEU A 147 0.725 61.497 32.213 1.00 45.78 C ATOM 1465 CD2 LEU A 147 0.987 62.052 29.791 1.00 38.67 C ATOM 1466 H LEU A 147 -0.453 57.277 29.996 1.00 0.00 H ATOM 1467 N ILE A 148 -2.924 59.466 30.586 1.00 42.95 N ATOM 1468 CA ILE A 148 -4.267 60.082 30.656 1.00 41.44 C ATOM 1469 C ILE A 148 -5.058 59.514 31.839 1.00 44.50 C ATOM 1470 O ILE A 148 -5.630 60.269 32.623 1.00 48.28 O ATOM 1471 CB ILE A 148 -5.021 59.928 29.305 1.00 41.44 C ATOM 1472 CG1 ILE A 148 -4.372 60.869 28.283 1.00 38.94 C ATOM 1473 CG2 ILE A 148 -6.532 60.203 29.469 1.00 41.01 C ATOM 1474 CD1 ILE A 148 -4.936 60.795 26.890 1.00 41.25 C ATOM 1475 H ILE A 148 -2.635 58.962 29.723 1.00 0.00 H ATOM 1476 N ASP A 149 -5.046 58.185 31.978 1.00 48.46 N ATOM 1477 CA ASP A 149 -5.683 57.480 33.107 1.00 52.53 C ATOM 1478 C ASP A 149 -5.154 58.017 34.455 1.00 53.62 C ATOM 1479 O ASP A 149 -5.932 58.439 35.317 1.00 56.49 O ATOM 1480 CB ASP A 149 -5.461 55.943 32.971 1.00 58.81 C ATOM 1481 CG ASP A 149 -6.191 55.342 31.759 1.00 73.99 C ATOM 1482 OD1 ASP A 149 -6.774 56.104 30.946 1.00 73.13 O ATOM 1483 OD2 ASP A 149 -6.152 54.102 31.603 1.00 91.36 O ATOM 1484 H ASP A 149 -4.562 57.618 31.253 1.00 0.00 H ATOM 1485 N ALA A 150 -3.827 58.071 34.601 1.00 46.40 N ATOM 1486 CA ALA A 150 -3.215 58.551 35.836 1.00 44.08 C ATOM 1487 C ALA A 150 -3.542 60.011 36.097 1.00 42.46 C ATOM 1488 O ALA A 150 -3.755 60.401 37.245 1.00 41.07 O ATOM 1489 CB ALA A 150 -1.700 58.343 35.800 1.00 43.25 C ATOM 1490 H ALA A 150 -3.216 57.764 33.817 1.00 0.00 H ATOM 1491 N TYR A 151 -3.584 60.819 35.035 1.00 43.96 N ATOM 1492 CA TYR A 151 -3.955 62.240 35.156 1.00 43.08 C ATOM 1493 C TYR A 151 -5.390 62.411 35.656 1.00 44.44 C ATOM 1494 O TYR A 151 -5.651 63.168 36.602 1.00 40.27 O ATOM 1495 CB TYR A 151 -3.723 62.975 33.833 1.00 41.89 C ATOM 1496 CG TYR A 151 -4.231 64.400 33.825 1.00 41.66 C ATOM 1497 CD1 TYR A 151 -3.473 65.452 34.383 1.00 42.10 C ATOM 1498 CD2 TYR A 151 -5.443 64.704 33.253 1.00 42.77 C ATOM 1499 CE1 TYR A 151 -3.955 66.762 34.377 1.00 42.28 C ATOM 1500 CE2 TYR A 151 -5.922 66.002 33.222 1.00 44.33 C ATOM 1501 CZ TYR A 151 -5.195 67.025 33.800 1.00 45.91 C ATOM 1502 OH TYR A 151 -5.712 68.304 33.753 1.00 47.60 O ATOM 1503 HH TYR A 151 -5.088 68.928 34.203 1.00 0.00 H ATOM 1504 H TYR A 151 -3.349 60.435 34.097 1.00 0.00 H ATOM 1505 N LYS A 152 -6.309 61.666 35.063 1.00 49.76 N ATOM 1506 CA LYS A 152 -7.721 61.765 35.468 1.00 50.83 C ATOM 1507 C LYS A 152 -7.903 61.375 36.929 1.00 56.70 C ATOM 1508 O LYS A 152 -8.500 62.130 37.687 1.00 58.24 O ATOM 1509 CB LYS A 152 -8.611 60.940 34.553 1.00 54.33 C ATOM 1510 CG LYS A 152 -8.777 61.591 33.185 1.00 56.81 C ATOM 1511 CD LYS A 152 -9.820 60.903 32.328 1.00 58.36 C ATOM 1512 CE LYS A 152 -9.934 61.584 30.978 1.00 59.92 C ATOM 1513 NZ LYS A 152 -10.972 60.943 30.116 1.00 64.93 N ATOM 1514 HZ1 LYS A 152 -10.722 59.946 29.958 1.00 0.00 H ATOM 1515 HZ2 LYS A 152 -11.897 60.999 30.589 1.00 0.00 H ATOM 1516 HZ3 LYS A 152 -11.017 61.439 29.203 1.00 0.00 H ATOM 1517 H LYS A 152 -6.032 61.007 34.307 1.00 0.00 H ATOM 1518 N LYS A 153 -7.303 60.254 37.344 1.00 66.84 N ATOM 1519 CA LYS A 153 -7.261 59.863 38.766 1.00 71.89 C ATOM 1520 C LYS A 153 -6.706 60.988 39.654 1.00 69.23 C ATOM 1521 O LYS A 153 -7.341 61.400 40.628 1.00 86.10 O ATOM 1522 CB LYS A 153 -6.405 58.603 38.956 1.00 76.35 C ATOM 1523 H LYS A 153 -6.850 59.637 36.640 1.00 0.00 H ATOM 1524 N LYS A 154 -5.533 61.496 39.302 1.00 60.66 N ATOM 1525 CA LYS A 154 -4.893 62.538 40.097 1.00 59.65 C ATOM 1526 C LYS A 154 -5.737 63.808 40.188 1.00 61.01 C ATOM 1527 O LYS A 154 -5.791 64.421 41.265 1.00 64.67 O ATOM 1528 CB LYS A 154 -3.487 62.866 39.569 1.00 56.04 C ATOM 1529 CG LYS A 154 -2.687 63.849 40.427 1.00 54.86 C ATOM 1530 CD LYS A 154 -2.302 63.299 41.803 1.00 64.21 C ATOM 1531 CE LYS A 154 -1.414 64.327 42.604 1.00 63.54 C ATOM 1532 NZ LYS A 154 -1.960 65.405 43.518 1.00 68.35 N ATOM 1533 HZ1 LYS A 154 -2.574 66.042 42.972 1.00 0.00 H ATOM 1534 HZ2 LYS A 154 -2.509 64.964 44.283 1.00 0.00 H ATOM 1535 HZ3 LYS A 154 -1.170 65.946 43.924 1.00 0.00 H ATOM 1536 H LYS A 154 -5.061 61.145 38.444 1.00 0.00 H ATOM 1537 N MET A 155 -6.372 64.210 39.085 1.00 60.19 N ATOM 1538 CA MET A 155 -7.203 65.421 39.095 1.00 61.22 C ATOM 1539 C MET A 155 -8.437 65.282 39.996 1.00 65.26 C ATOM 1540 O MET A 155 -8.787 66.242 40.691 1.00 61.88 O ATOM 1541 CB MET A 155 -7.604 65.861 37.692 1.00 54.77 C ATOM 1542 CG MET A 155 -6.464 66.421 36.855 1.00 60.77 C ATOM 1543 SD MET A 155 -5.261 67.527 37.669 1.00 64.01 S ATOM 1544 CE MET A 155 -6.272 68.967 37.993 1.00 59.35 C ATOM 1545 H MET A 155 -6.277 63.659 38.208 1.00 0.00 H ATOM 1546 N LYS A 156 -9.054 64.097 40.008 1.00 65.91 N ATOM 1547 CA LYS A 156 -10.141 63.790 40.956 1.00 73.02 C ATOM 1548 C LYS A 156 -9.646 63.913 42.412 1.00 73.43 C ATOM 1549 O LYS A 156 -10.274 64.595 43.220 1.00 85.43 O ATOM 1550 CB LYS A 156 -10.782 62.414 40.679 1.00 73.25 C ATOM 1551 H LYS A 156 -8.758 63.368 39.327 1.00 0.00 H ATOM 1552 N ARG A 157 -8.505 63.303 42.725 1.00 70.61 N ATOM 1553 CA ARG A 157 -7.879 63.452 44.043 1.00 71.96 C ATOM 1554 C ARG A 157 -7.575 64.924 44.371 1.00 75.82 C ATOM 1555 O ARG A 157 -7.849 65.378 45.481 1.00 81.76 O ATOM 1556 CB ARG A 157 -6.593 62.622 44.146 1.00 71.33 C ATOM 1557 H ARG A 157 -8.043 62.702 42.013 1.00 0.00 H ATOM 1558 N ASN A 158 -7.001 65.653 43.407 1.00 80.54 N ATOM 1559 CA ASN A 158 -6.730 67.092 43.566 1.00 78.01 C ATOM 1560 C ASN A 158 -7.991 67.911 43.866 1.00 86.33 C ATOM 1561 O ASN A 158 -7.941 68.836 44.669 1.00 93.42 O ATOM 1562 CB ASN A 158 -6.035 67.679 42.330 1.00 75.08 C ATOM 1563 CG ASN A 158 -4.570 67.271 42.208 1.00 80.52 C ATOM 1564 OD1 ASN A 158 -3.894 66.968 43.199 1.00 82.89 O ATOM 1565 ND2 ASN A 158 -4.059 67.279 40.978 1.00 78.55 N ATOM 1566 HD22 ASN A 158 -4.657 67.539 40.168 1.00 0.00 H ATOM 1567 HD21 ASN A 158 -3.062 67.025 40.828 1.00 0.00 H ATOM 1568 H ASN A 158 -6.737 65.188 42.515 1.00 0.00 H ATOM 1569 N HIS A 159 -9.113 67.569 43.234 1.00 82.07 N ATOM 1570 CA HIS A 159 -10.390 68.235 43.535 1.00 91.45 C ATOM 1571 C HIS A 159 -10.815 68.008 45.014 1.00 97.84 C ATOM 1572 O HIS A 159 -11.375 68.900 45.624 1.00 89.92 O ATOM 1573 CB HIS A 159 -11.501 67.819 42.541 1.00 82.12 C ATOM 1574 CG HIS A 159 -11.504 68.600 41.254 1.00 82.28 C ATOM 1575 ND1 HIS A 159 -11.892 69.921 41.182 1.00 79.84 N ATOM 1576 CD2 HIS A 159 -11.203 68.235 39.982 1.00 80.47 C ATOM 1577 CE1 HIS A 159 -11.821 70.340 39.930 1.00 77.35 C ATOM 1578 NE2 HIS A 159 -11.411 69.335 39.180 1.00 76.78 N ATOM 1579 H HIS A 159 -9.086 66.818 42.515 1.00 0.00 H ATOM 1580 N GLU A 160 -10.509 66.845 45.595 1.00101.11 N ATOM 1581 CA GLU A 160 -10.737 66.603 47.034 1.00 99.48 C ATOM 1582 C GLU A 160 -9.578 67.135 47.884 1.00 98.46 C ATOM 1583 O GLU A 160 -9.035 68.271 47.630 1.00 88.42 O ATOM 1584 CB GLU A 160 -10.938 65.109 47.298 1.00 20.00 C ATOM 1585 H GLU A 160 -10.097 66.086 45.016 1.00 0.00 H TER 1586 GLU A 160 HETATM 1587 MG MG A 1 4.596 65.267 42.290 1.00 45.58 MG HETATM 1588 MG MG A 2 5.066 68.755 43.966 1.00 64.04 MG HETATM 1589 O HOH 3 26.793 64.156 35.707 1.00 32.70 O HETATM 1590 O HOH 4 8.597 75.483 33.007 1.00 39.02 O HETATM 1591 O HOH 5 18.006 60.981 20.714 1.00 35.00 O HETATM 1592 O HOH 6 3.409 84.699 36.523 1.00 50.24 O HETATM 1593 O HOH 7 13.805 52.816 35.416 1.00 44.46 O HETATM 1594 O HOH 8 4.801 79.651 24.740 1.00 49.46 O HETATM 1595 O HOH 9 14.218 66.900 20.935 1.00 44.79 O HETATM 1596 O HOH 10 7.089 83.346 32.063 1.00 75.44 O HETATM 1597 O HOH 11 7.320 61.608 16.309 1.00 44.31 O HETATM 1598 O HOH 12 9.400 68.725 16.976 1.00 53.57 O HETATM 1599 O HOH 13 26.441 68.679 37.132 1.00 43.66 O HETATM 1600 O HOH 14 7.600 74.720 20.065 1.00 57.59 O HETATM 1601 O HOH 15 10.368 49.428 43.023 1.00 42.66 O HETATM 1602 O HOH 16 13.494 73.900 23.351 1.00 48.85 O HETATM 1603 O HOH 17 5.258 59.967 17.457 1.00 50.86 O HETATM 1604 O HOH 18 11.264 51.859 35.904 1.00 59.80 O HETATM 1605 O HOH 19 -2.677 81.517 21.002 1.00 71.73 O HETATM 1606 O HOH 20 -0.388 84.731 43.196 1.00 49.23 O HETATM 1607 O HOH 21 0.894 86.676 41.276 1.00 58.74 O HETATM 1608 O HOH 22 -2.123 83.493 34.392 1.00 56.87 O HETATM 1609 O HOH 23 5.435 85.292 38.937 1.00 54.22 O HETATM 1610 O HOH 24 -6.833 73.410 10.989 1.00 59.66 O HETATM 1611 O HOH 25 9.643 49.318 38.626 1.00 46.97 O HETATM 1612 O HOH 26 13.571 66.146 16.182 1.00 48.98 O HETATM 1613 O HOH 27 9.863 52.987 32.901 1.00 48.48 O HETATM 1614 O HOH 28 6.611 63.635 48.079 1.00 64.11 O HETATM 1615 O HOH 29 2.396 67.153 50.099 1.00 44.42 O HETATM 1616 O HOH 30 13.878 50.456 47.064 1.00 45.37 O HETATM 1617 O HOH 31 -0.860 61.472 17.051 1.00 55.44 O HETATM 1618 O HOH 32 17.225 67.804 23.676 1.00 61.07 O HETATM 1619 O HOH 33 -3.970 62.875 15.608 1.00 55.92 O HETATM 1620 O HOH 34 -4.162 84.694 32.674 1.00 67.01 O HETATM 1621 O HOH 35 14.652 82.881 33.389 1.00 53.89 O HETATM 1622 O HOH 36 9.190 62.922 46.625 1.00 67.13 O HETATM 1623 O HOH 37 -1.010 87.301 33.250 1.00 50.43 O HETATM 1624 O HOH 38 -10.683 89.870 31.593 1.00 64.62 O HETATM 1625 O HOH 39 14.818 55.474 47.012 1.00 56.42 O HETATM 1626 O HOH 40 25.975 44.895 54.523 1.00 68.55 O HETATM 1627 O HOH 41 30.916 68.704 45.782 1.00 37.66 O HETATM 1628 O HOH 42 28.672 55.421 34.539 1.00 57.95 O HETATM 1629 O HOH 43 31.520 79.206 34.742 1.00 52.17 O HETATM 1630 O HOH 44 26.132 68.384 40.250 1.00 43.37 O HETATM 1631 O HOH 45 16.360 53.607 50.299 1.00 45.61 O HETATM 1632 O HOH 46 20.144 86.018 37.662 1.00 71.46 O HETATM 1633 O HOH 47 12.399 63.611 54.579 1.00 55.15 O HETATM 1634 O HOH 48 11.698 61.852 50.735 1.00 46.70 O HETATM 1635 O HOH 49 34.808 70.410 38.634 1.00 62.05 O HETATM 1636 O HOH 50 23.918 81.744 39.971 1.00 61.10 O HETATM 1637 O HOH 51 -2.307 73.467 52.133 1.00 64.94 O HETATM 1638 O HOH 52 32.270 65.223 34.737 1.00 60.37 O HETATM 1639 O HOH 53 31.526 77.509 30.633 1.00 66.47 O HETATM 1640 O HOH 54 34.359 52.664 46.701 1.00 50.91 O HETATM 1641 O HOH 55 26.854 78.337 32.858 1.00 60.17 O HETATM 1642 O HOH 56 35.416 58.124 47.901 1.00 43.02 O HETATM 1643 O HOH 57 16.507 51.118 57.359 1.00 53.05 O HETATM 1644 O HOH 58 9.573 58.877 55.455 1.00 53.63 O HETATM 1645 O4 DUP A 59 -2.033 75.555 39.856 1.00 -0.41 O HETATM 1646 C4 DUP A 59 -2.089 74.319 40.061 1.00 0.18 C HETATM 1647 C5 DUP A 59 -1.520 73.778 41.209 1.00 0.01 C HETATM 1648 C6 DUP A 59 -1.563 72.405 41.447 1.00 0.06 C HETATM 1649 N1 DUP A 59 -2.165 71.590 40.560 1.00 -0.16 N HETATM 1650 C2 DUP A 59 -2.746 72.175 39.397 1.00 0.33 C HETATM 1651 N3 DUP A 59 -2.691 73.504 39.184 1.00 -0.19 N HETATM 1652 H3 DUP A 59 -3.106 73.888 38.359 1.00 0.23 H HETATM 1653 O2 DUP A 59 -3.318 71.454 38.552 1.00 -0.38 O HETATM 1654 C1' DUP A 59 -2.245 70.127 40.743 1.00 0.18 C HETATM 1655 C2' DUP A 59 -1.442 69.414 39.655 1.00 0.03 C HETATM 1656 C3' DUP A 59 -0.690 68.293 40.341 1.00 0.09 C HETATM 1657 O3' DUP A 59 -1.346 67.038 40.119 1.00 -0.39 O HETATM 1658 H8 DUP A 59 -0.862 66.347 40.556 1.00 0.21 H HETATM 1659 C4' DUP A 59 -0.705 68.659 41.816 1.00 0.12 C HETATM 1660 O4' DUP A 59 -1.724 69.656 41.996 1.00 -0.34 O HETATM 1661 C5' DUP A 59 0.640 69.210 42.268 1.00 0.11 C HETATM 1662 O5' DUP A 59 0.483 69.882 43.515 1.00 -0.25 O HETATM 1663 PA DUP A 59 1.513 69.654 44.725 1.00 0.24 P HETATM 1664 O1A DUP A 59 3.015 69.826 44.164 1.00 -0.60 O HETATM 1665 O2A DUP A 59 1.257 70.698 45.744 1.00 -0.60 O HETATM 1666 N3A DUP A 59 1.232 68.079 45.448 1.00 -0.16 N HETATM 1667 PB DUP A 59 2.220 66.664 45.122 1.00 0.29 P HETATM 1668 O1B DUP A 59 3.008 66.853 43.879 1.00 -0.57 O HETATM 1669 O2B DUP A 59 1.198 65.427 44.920 1.00 -0.57 O HETATM 1670 O3B DUP A 59 3.198 66.315 46.379 1.00 -0.17 O HETATM 1671 PG DUP A 59 4.617 67.017 46.781 1.00 0.20 P HETATM 1672 O2G DUP A 59 5.631 66.629 45.728 1.00 -0.59 O HETATM 1673 O1G DUP A 59 4.313 68.488 46.814 1.00 -0.59 O HETATM 1674 O3G DUP A 59 4.911 66.427 48.133 1.00 -0.59 O HETATM 1675 H12 DUP A 59 0.465 67.982 46.082 1.00 0.22 H HETATM 1676 H10 DUP A 59 1.018 69.917 41.515 1.00 0.07 H HETATM 1677 H11 DUP A 59 1.355 68.382 42.385 1.00 0.07 H HETATM 1678 H9 DUP A 59 -0.945 67.767 42.413 1.00 0.07 H HETATM 1679 H7 DUP A 59 0.343 68.236 39.969 1.00 0.06 H HETATM 1680 H5 DUP A 59 -0.735 70.113 39.184 1.00 0.03 H HETATM 1681 H6 DUP A 59 -2.118 69.005 38.890 1.00 0.03 H HETATM 1682 H4 DUP A 59 -3.303 69.835 40.670 1.00 0.10 H HETATM 1683 H2 DUP A 59 -1.111 71.993 42.348 1.00 0.12 H HETATM 1684 H1 DUP A 59 -1.035 74.434 41.930 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 368 367 1587 CONECT 369 367 1588 CONECT 402 401 1587 CONECT 403 401 1588 CONECT 653 652 1587 CONECT 678 676 1587 CONECT 1587 368 402 653 678 CONECT 1588 369 403 CONECT 1645 1646 CONECT 1646 1645 1647 1651 CONECT 1647 1646 1648 1684 CONECT 1648 1647 1649 1683 CONECT 1649 1648 1650 1654 CONECT 1650 1649 1651 1653 CONECT 1651 1646 1650 1652 CONECT 1652 1651 CONECT 1653 1650 CONECT 1654 1649 1655 1660 1682 CONECT 1655 1654 1656 1680 1681 CONECT 1656 1655 1657 1659 1679 CONECT 1657 1656 1658 CONECT 1658 1657 CONECT 1659 1656 1660 1661 1678 CONECT 1660 1654 1659 CONECT 1661 1659 1662 1676 1677 CONECT 1662 1661 1663 CONECT 1663 1662 1664 1665 1666 CONECT 1664 1663 CONECT 1665 1663 CONECT 1666 1663 1667 1675 CONECT 1667 1666 1668 1669 1670 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1667 1671 CONECT 1671 1670 1672 1673 1674 CONECT 1672 1671 CONECT 1673 1671 CONECT 1674 1671 CONECT 1675 1666 CONECT 1676 1661 CONECT 1677 1661 CONECT 1678 1659 CONECT 1679 1656 CONECT 1680 1655 CONECT 1681 1655 CONECT 1682 1654 CONECT 1683 1648 CONECT 1684 1647 MASTER 0 0 0 0 0 0 0 0 1683 1 52 13 END
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Related entries of code: 5myd
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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DUP
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2yay
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PDBbind
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PDBbind
DUP
5hva
RCSB PDB
PDBbind
DUP
5hwu
RCSB PDB
PDBbind
DUP
5nyz
RCSB PDB
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Entry Information
PDB ID
5myd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DUTPase
Ligand Name
DUP
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=13.9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) PLoS Pathog. Vol. 13: pp. e1006581-e1006581
Ligand Properties
Formula
C
9
H
1
9
N
3
O
1
3
P
3
Molecular Weight
470.181
Exact Mass
470.013
No. of atoms
47
No. of bonds
48
Polar Surface Area
297.19
LOGP Value
-5.77 (
Computed with XLOGP3
)
-2.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 2
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(NP(OP(O)(O)O)(O)O)(O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H22N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,11,13,16-22,26-28H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/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):
A0A2D0TC86
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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