Browse entries in the PDBbind-CN Database
HEADER 3UD9_COMPLEX COMPND 3UD9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 128 LYS PRO LYS LEU LEU TYR CYS SER ASN GLY GLY HIS PHE SEQRES 2 B 128 LEU ARG ILE LEU PRO ASP GLY THR VAL ASP GLY THR ARG SEQRES 3 B 128 ASP ARG SER ASP GLN HIS ILE GLN LEU GLN LEU SER ALA SEQRES 4 B 128 GLU SER VAL GLY GLU VAL TYR ILE LYS SER THR GLU THR SEQRES 5 B 128 GLY GLN TYR LEU ALA MET ASP THR ASP GLY LEU LEU TYR SEQRES 6 B 128 GLY SER GLN THR PRO ASN GLU GLU CYS LEU PHE LEU GLU SEQRES 7 B 128 ARG LEU GLU GLU ASN HIS TYR ASN THR TYR ILE SER LYS SEQRES 8 B 128 LYS HIS ALA GLU LYS ASN TRP PHE VAL GLY LEU LYS LYS SEQRES 9 B 128 ASN GLY SER CYS LYS ARG GLY PRO ARG THR HIS TYR GLY SEQRES 10 B 128 GLN LYS ALA ILE LEU PHE LEU PRO LEU PRO VAL HET SGN A 150 56 ATOM 1 N LYS B 10 -32.695 21.198 -0.388 1.00 78.08 N ATOM 2 CA LYS B 10 -31.995 21.074 0.916 1.00 76.97 C ATOM 3 C LYS B 10 -30.744 20.296 0.709 1.00 77.03 C ATOM 4 O LYS B 10 -29.712 20.884 0.386 1.00 81.49 O ATOM 5 CB LYS B 10 -32.845 20.385 1.968 1.00 74.62 C ATOM 6 CG LYS B 10 -32.428 20.645 3.425 1.00 75.97 C ATOM 7 CD LYS B 10 -30.984 21.144 3.576 1.00 78.94 C ATOM 8 CE LYS B 10 -30.810 22.084 4.807 1.00 77.72 C ATOM 9 NZ LYS B 10 -29.445 22.045 5.416 1.00 75.88 N ATOM 10 HA LYS B 10 -31.781 22.079 1.280 1.00 0.00 H ATOM 11 HB2 LYS B 10 -33.873 20.725 1.846 1.00 0.00 H ATOM 12 HB3 LYS B 10 -32.796 19.311 1.790 1.00 0.00 H ATOM 13 HG2 LYS B 10 -33.097 21.396 3.846 1.00 0.00 H ATOM 14 HG3 LYS B 10 -32.531 19.715 3.984 1.00 0.00 H ATOM 15 HD2 LYS B 10 -30.326 20.283 3.696 1.00 0.00 H ATOM 16 HD3 LYS B 10 -30.705 21.690 2.675 1.00 0.00 H ATOM 17 HE2 LYS B 10 -31.533 21.790 5.568 1.00 0.00 H ATOM 18 HE3 LYS B 10 -31.014 23.106 4.489 1.00 0.00 H ATOM 19 HZ1 LYS B 10 -29.237 21.078 5.737 1.00 0.00 H ATOM 20 HZ2 LYS B 10 -28.742 22.335 4.707 1.00 0.00 H ATOM 21 HZ3 LYS B 10 -29.410 22.695 6.227 1.00 0.00 H ATOM 22 HN3 LYS B 10 -32.922 20.250 -0.750 1.00 0.00 H ATOM 23 HN2 LYS B 10 -32.078 21.690 -1.066 1.00 0.00 H ATOM 24 HN1 LYS B 10 -33.573 21.740 -0.259 1.00 0.00 H ATOM 25 N PRO B 11 -30.805 18.979 0.899 1.00 72.96 N ATOM 26 CA PRO B 11 -31.878 18.224 1.525 1.00 68.90 C ATOM 27 C PRO B 11 -31.383 17.624 2.829 1.00 63.66 C ATOM 28 O PRO B 11 -30.199 17.589 3.019 1.00 61.95 O ATOM 29 CB PRO B 11 -32.113 17.072 0.539 1.00 63.46 C ATOM 30 CG PRO B 11 -31.320 17.356 -0.620 1.00 68.55 C ATOM 31 CD PRO B 11 -30.188 18.182 -0.166 1.00 73.01 C ATOM 32 HA PRO B 11 -32.760 18.830 1.732 1.00 0.00 H ATOM 33 HD3 PRO B 11 -29.376 17.565 0.219 1.00 0.00 H ATOM 34 HD2 PRO B 11 -29.812 18.816 -0.969 1.00 0.00 H ATOM 35 HG3 PRO B 11 -31.911 17.901 -1.356 1.00 0.00 H ATOM 36 HG2 PRO B 11 -30.955 16.429 -1.063 1.00 0.00 H ATOM 37 HB2 PRO B 11 -31.803 16.127 0.984 1.00 0.00 H ATOM 38 HB3 PRO B 11 -33.168 17.017 0.269 1.00 0.00 H ATOM 39 N LYS B 12 -32.263 17.147 3.690 1.00 57.86 N ATOM 40 CA LYS B 12 -31.802 16.425 4.859 1.00 55.90 C ATOM 41 C LYS B 12 -32.248 14.976 4.807 1.00 54.81 C ATOM 42 O LYS B 12 -33.108 14.607 4.026 1.00 49.87 O ATOM 43 CB LYS B 12 -32.283 17.042 6.168 1.00 59.51 C ATOM 44 CG LYS B 12 -32.700 18.471 6.132 1.00 64.77 C ATOM 45 CD LYS B 12 -33.499 18.848 7.406 1.00 69.79 C ATOM 46 CE LYS B 12 -32.810 19.933 8.296 1.00 71.99 C ATOM 47 NZ LYS B 12 -32.533 21.226 7.592 1.00 71.66 N ATOM 48 HA LYS B 12 -30.714 16.486 4.838 1.00 0.00 H ATOM 49 HB2 LYS B 12 -33.137 16.459 6.512 1.00 0.00 H ATOM 50 HB3 LYS B 12 -31.471 16.955 6.890 1.00 0.00 H ATOM 51 HG2 LYS B 12 -31.812 19.100 6.068 1.00 0.00 H ATOM 52 HG3 LYS B 12 -33.326 18.638 5.256 1.00 0.00 H ATOM 53 HD2 LYS B 12 -34.474 19.226 7.099 1.00 0.00 H ATOM 54 HD3 LYS B 12 -33.632 17.947 8.006 1.00 0.00 H ATOM 55 HE2 LYS B 12 -31.863 19.530 8.654 1.00 0.00 H ATOM 56 HE3 LYS B 12 -33.460 20.140 9.146 1.00 0.00 H ATOM 57 HZ1 LYS B 12 -31.903 21.051 6.783 1.00 0.00 H ATOM 58 HZ2 LYS B 12 -33.428 21.634 7.254 1.00 0.00 H ATOM 59 HZ3 LYS B 12 -32.077 21.888 8.252 1.00 0.00 H ATOM 60 H LYS B 12 -33.281 17.289 3.530 1.00 0.00 H ATOM 61 N LEU B 13 -31.661 14.164 5.656 1.00 46.97 N ATOM 62 CA LEU B 13 -32.104 12.802 5.806 1.00 46.93 C ATOM 63 C LEU B 13 -32.722 12.671 7.165 1.00 49.27 C ATOM 64 O LEU B 13 -32.302 13.326 8.091 1.00 49.68 O ATOM 65 CB LEU B 13 -30.940 11.837 5.706 1.00 47.17 C ATOM 66 CG LEU B 13 -29.978 11.968 4.527 1.00 53.24 C ATOM 67 CD1 LEU B 13 -28.818 10.984 4.699 1.00 46.69 C ATOM 68 CD2 LEU B 13 -30.700 11.785 3.198 1.00 47.38 C ATOM 69 HA LEU B 13 -32.816 12.564 5.016 1.00 0.00 H ATOM 70 HB2 LEU B 13 -30.350 11.950 6.616 1.00 0.00 H ATOM 71 HB3 LEU B 13 -31.359 10.831 5.668 1.00 0.00 H ATOM 72 HG LEU B 13 -29.567 12.977 4.513 1.00 0.00 H ATOM 73 HD21 LEU B 13 -31.154 10.795 3.166 1.00 0.00 H ATOM 74 HD22 LEU B 13 -31.475 12.545 3.099 1.00 0.00 H ATOM 75 HD23 LEU B 13 -29.985 11.885 2.381 1.00 0.00 H ATOM 76 HD11 LEU B 13 -28.289 11.207 5.626 1.00 0.00 H ATOM 77 HD12 LEU B 13 -29.209 9.967 4.737 1.00 0.00 H ATOM 78 HD13 LEU B 13 -28.134 11.080 3.856 1.00 0.00 H ATOM 79 H LEU B 13 -30.864 14.510 6.228 1.00 0.00 H ATOM 80 N LEU B 14 -33.730 11.824 7.275 1.00 46.10 N ATOM 81 CA LEU B 14 -34.333 11.499 8.541 1.00 43.93 C ATOM 82 C LEU B 14 -33.933 10.096 8.974 1.00 46.37 C ATOM 83 O LEU B 14 -34.339 9.089 8.394 1.00 47.46 O ATOM 84 CB LEU B 14 -35.854 11.622 8.477 1.00 45.40 C ATOM 85 CG LEU B 14 -36.428 13.031 8.341 1.00 48.90 C ATOM 86 CD1 LEU B 14 -37.961 12.973 8.198 1.00 50.30 C ATOM 87 CD2 LEU B 14 -36.001 13.927 9.499 1.00 45.87 C ATOM 88 HA LEU B 14 -33.969 12.213 9.280 1.00 0.00 H ATOM 89 HB2 LEU B 14 -36.196 11.043 7.619 1.00 0.00 H ATOM 90 HB3 LEU B 14 -36.259 11.188 9.391 1.00 0.00 H ATOM 91 HG LEU B 14 -36.021 13.478 7.434 1.00 0.00 H ATOM 92 HD21 LEU B 14 -36.356 13.500 10.437 1.00 0.00 H ATOM 93 HD22 LEU B 14 -34.914 13.999 9.519 1.00 0.00 H ATOM 94 HD23 LEU B 14 -36.430 14.920 9.365 1.00 0.00 H ATOM 95 HD11 LEU B 14 -38.220 12.396 7.311 1.00 0.00 H ATOM 96 HD12 LEU B 14 -38.389 12.498 9.080 1.00 0.00 H ATOM 97 HD13 LEU B 14 -38.354 13.985 8.102 1.00 0.00 H ATOM 98 H LEU B 14 -34.102 11.375 6.414 1.00 0.00 H ATOM 99 N TYR B 15 -33.151 10.033 10.036 1.00 49.04 N ATOM 100 CA TYR B 15 -32.604 8.758 10.503 1.00 50.26 C ATOM 101 C TYR B 15 -33.373 8.257 11.711 1.00 49.18 C ATOM 102 O TYR B 15 -33.460 8.951 12.727 1.00 49.18 O ATOM 103 CB TYR B 15 -31.112 8.926 10.809 1.00 49.98 C ATOM 104 CG TYR B 15 -30.518 7.779 11.566 1.00 52.01 C ATOM 105 CD1 TYR B 15 -29.957 6.703 10.893 1.00 53.88 C ATOM 106 CD2 TYR B 15 -30.503 7.770 12.949 1.00 55.27 C ATOM 107 CE1 TYR B 15 -29.406 5.654 11.580 1.00 58.75 C ATOM 108 CE2 TYR B 15 -29.952 6.736 13.644 1.00 59.04 C ATOM 109 CZ TYR B 15 -29.406 5.682 12.965 1.00 62.51 C ATOM 110 OH TYR B 15 -28.861 4.643 13.679 1.00 68.94 O ATOM 111 HA TYR B 15 -32.712 8.007 9.721 1.00 0.00 H ATOM 112 HB3 TYR B 15 -30.982 9.833 11.400 1.00 0.00 H ATOM 113 HB2 TYR B 15 -30.577 9.029 9.865 1.00 0.00 H ATOM 114 HD2 TYR B 15 -30.941 8.607 13.494 1.00 0.00 H ATOM 115 HE2 TYR B 15 -29.946 6.749 14.734 1.00 0.00 H ATOM 116 HE1 TYR B 15 -28.974 4.809 11.044 1.00 0.00 H ATOM 117 HD1 TYR B 15 -29.955 6.692 9.803 1.00 0.00 H ATOM 118 HH TYR B 15 -28.509 3.962 13.052 1.00 0.00 H ATOM 119 H TYR B 15 -32.919 10.906 10.551 1.00 0.00 H ATOM 120 N CYS B 16 -33.935 7.057 11.585 1.00 51.09 N ATOM 121 CA CYS B 16 -34.790 6.484 12.613 1.00 52.32 C ATOM 122 C CYS B 16 -33.953 5.660 13.560 1.00 56.24 C ATOM 123 O CYS B 16 -33.230 4.768 13.164 1.00 57.71 O ATOM 124 CB CYS B 16 -35.939 5.643 12.012 1.00 51.51 C ATOM 125 SG CYS B 16 -37.112 4.875 13.247 1.00 55.72 S ATOM 126 HA CYS B 16 -35.258 7.301 13.162 1.00 0.00 H ATOM 127 HB2 CYS B 16 -35.495 4.838 11.426 1.00 0.00 H ATOM 128 HB3 CYS B 16 -36.520 6.290 11.355 1.00 0.00 H ATOM 129 HG CYS B 16 -37.709 5.871 13.993 1.00 0.00 H ATOM 130 H CYS B 16 -33.756 6.509 10.720 1.00 0.00 H ATOM 131 N SER B 17 -34.044 5.992 14.834 1.00 60.03 N ATOM 132 CA SER B 17 -33.233 5.362 15.840 1.00 62.82 C ATOM 133 C SER B 17 -33.493 3.867 15.848 1.00 63.23 C ATOM 134 O SER B 17 -32.580 3.069 16.015 1.00 59.68 O ATOM 135 CB SER B 17 -33.603 5.945 17.199 1.00 62.87 C ATOM 136 OG SER B 17 -32.430 6.066 17.995 1.00 76.42 O ATOM 137 HA SER B 17 -32.179 5.539 15.628 1.00 0.00 H ATOM 138 HB2 SER B 17 -34.314 5.286 17.697 1.00 0.00 H ATOM 139 HB3 SER B 17 -34.054 6.928 17.063 1.00 0.00 H ATOM 140 HG SER B 17 -32.669 6.445 18.878 1.00 0.00 H ATOM 141 H SER B 17 -34.721 6.729 15.118 1.00 0.00 H ATOM 142 N ASN B 18 -34.762 3.506 15.671 1.00 63.99 N ATOM 143 CA ASN B 18 -35.229 2.154 15.905 1.00 64.06 C ATOM 144 C ASN B 18 -34.293 1.118 15.283 1.00 65.11 C ATOM 145 O ASN B 18 -33.597 0.395 16.006 1.00 68.99 O ATOM 146 CB ASN B 18 -36.686 2.004 15.426 1.00 64.13 C ATOM 147 CG ASN B 18 -37.248 0.615 15.668 1.00 65.67 C ATOM 148 OD1 ASN B 18 -36.532 -0.291 16.092 1.00 70.78 O ATOM 149 ND2 ASN B 18 -38.533 0.440 15.387 1.00 63.76 N ATOM 150 HA ASN B 18 -35.216 1.962 16.978 1.00 0.00 H ATOM 151 HB2 ASN B 18 -37.304 2.727 15.959 1.00 0.00 H ATOM 152 HB3 ASN B 18 -36.724 2.213 14.357 1.00 0.00 H ATOM 153 HD22 ASN B 18 -39.100 1.235 15.030 1.00 0.00 H ATOM 154 HD21 ASN B 18 -38.973 -0.493 15.523 1.00 0.00 H ATOM 155 H ASN B 18 -35.445 4.222 15.352 1.00 0.00 H ATOM 156 N GLY B 19 -34.256 1.066 13.953 1.00 63.34 N ATOM 157 CA GLY B 19 -33.449 0.070 13.239 1.00 64.03 C ATOM 158 C GLY B 19 -32.230 0.658 12.541 1.00 62.93 C ATOM 159 O GLY B 19 -31.437 -0.068 11.951 1.00 62.15 O ATOM 160 HA3 GLY B 19 -34.078 -0.409 12.489 1.00 0.00 H ATOM 161 HA2 GLY B 19 -33.109 -0.676 13.957 1.00 0.00 H ATOM 162 H GLY B 19 -34.815 1.751 13.405 1.00 0.00 H ATOM 163 N GLY B 20 -32.076 1.977 12.619 1.00 60.17 N ATOM 164 CA GLY B 20 -30.992 2.654 11.924 1.00 56.32 C ATOM 165 C GLY B 20 -31.272 2.944 10.458 1.00 54.99 C ATOM 166 O GLY B 20 -30.365 3.076 9.659 1.00 56.26 O ATOM 167 HA3 GLY B 20 -30.103 2.026 11.984 1.00 0.00 H ATOM 168 HA2 GLY B 20 -30.801 3.601 12.429 1.00 0.00 H ATOM 169 H GLY B 20 -32.744 2.535 13.188 1.00 0.00 H ATOM 170 N HIS B 21 -32.540 3.041 10.103 1.00 54.94 N ATOM 171 CA HIS B 21 -32.928 3.307 8.740 1.00 54.22 C ATOM 172 C HIS B 21 -33.163 4.790 8.471 1.00 50.71 C ATOM 173 O HIS B 21 -33.632 5.515 9.342 1.00 48.99 O ATOM 174 CB HIS B 21 -34.204 2.538 8.438 1.00 56.35 C ATOM 175 CG HIS B 21 -34.014 1.061 8.457 1.00 59.23 C ATOM 176 ND1 HIS B 21 -34.134 0.320 9.609 1.00 57.33 N ATOM 177 CD2 HIS B 21 -33.672 0.191 7.477 1.00 57.62 C ATOM 178 CE1 HIS B 21 -33.890 -0.948 9.335 1.00 63.74 C ATOM 179 NE2 HIS B 21 -33.605 -1.051 8.050 1.00 63.02 N ATOM 180 HA HIS B 21 -32.109 2.988 8.095 1.00 0.00 H ATOM 181 HB2 HIS B 21 -34.953 2.801 9.185 1.00 0.00 H ATOM 182 HB3 HIS B 21 -34.560 2.830 7.450 1.00 0.00 H ATOM 183 HD2 HIS B 21 -33.485 0.433 6.431 1.00 0.00 H ATOM 184 HE1 HIS B 21 -33.919 -1.771 10.049 1.00 0.00 H ATOM 185 H HIS B 21 -33.278 2.922 10.826 1.00 0.00 H ATOM 186 N PHE B 22 -32.848 5.224 7.259 1.00 46.55 N ATOM 187 CA PHE B 22 -33.323 6.518 6.774 1.00 45.19 C ATOM 188 C PHE B 22 -34.694 6.370 6.151 1.00 46.77 C ATOM 189 O PHE B 22 -34.981 5.374 5.475 1.00 47.32 O ATOM 190 CB PHE B 22 -32.366 7.110 5.754 1.00 45.88 C ATOM 191 CG PHE B 22 -30.952 7.182 6.227 1.00 49.37 C ATOM 192 CD1 PHE B 22 -30.538 8.204 7.080 1.00 48.56 C ATOM 193 CD2 PHE B 22 -30.015 6.227 5.812 1.00 53.85 C ATOM 194 CE1 PHE B 22 -29.198 8.291 7.520 1.00 46.41 C ATOM 195 CE2 PHE B 22 -28.683 6.283 6.258 1.00 55.32 C ATOM 196 CZ PHE B 22 -28.281 7.340 7.110 1.00 50.78 C ATOM 197 HA PHE B 22 -33.379 7.193 7.628 1.00 0.00 H ATOM 198 HB2 PHE B 22 -32.397 6.494 4.855 1.00 0.00 H ATOM 199 HB3 PHE B 22 -32.700 8.119 5.514 1.00 0.00 H ATOM 200 HD2 PHE B 22 -30.323 5.430 5.135 1.00 0.00 H ATOM 201 HE2 PHE B 22 -27.967 5.521 5.951 1.00 0.00 H ATOM 202 HZ PHE B 22 -27.245 7.405 7.444 1.00 0.00 H ATOM 203 HE1 PHE B 22 -28.889 9.103 8.179 1.00 0.00 H ATOM 204 HD1 PHE B 22 -31.261 8.949 7.413 1.00 0.00 H ATOM 205 H PHE B 22 -32.253 4.634 6.643 1.00 0.00 H ATOM 206 N LEU B 23 -35.563 7.349 6.421 1.00 46.76 N ATOM 207 CA LEU B 23 -36.906 7.365 5.861 1.00 42.27 C ATOM 208 C LEU B 23 -36.845 7.500 4.328 1.00 43.40 C ATOM 209 O LEU B 23 -36.135 8.368 3.797 1.00 42.65 O ATOM 210 CB LEU B 23 -37.695 8.526 6.443 1.00 41.19 C ATOM 211 CG LEU B 23 -39.186 8.534 6.056 1.00 42.72 C ATOM 212 CD1 LEU B 23 -39.851 7.305 6.569 1.00 36.95 C ATOM 213 CD2 LEU B 23 -39.913 9.787 6.543 1.00 42.28 C ATOM 214 HA LEU B 23 -37.400 6.427 6.115 1.00 0.00 H ATOM 215 HB2 LEU B 23 -37.624 8.477 7.530 1.00 0.00 H ATOM 216 HB3 LEU B 23 -37.246 9.455 6.092 1.00 0.00 H ATOM 217 HG LEU B 23 -39.240 8.547 4.967 1.00 0.00 H ATOM 218 HD21 LEU B 23 -39.848 9.844 7.630 1.00 0.00 H ATOM 219 HD22 LEU B 23 -39.448 10.669 6.103 1.00 0.00 H ATOM 220 HD23 LEU B 23 -40.959 9.738 6.242 1.00 0.00 H ATOM 221 HD11 LEU B 23 -39.372 6.427 6.136 1.00 0.00 H ATOM 222 HD12 LEU B 23 -39.762 7.271 7.655 1.00 0.00 H ATOM 223 HD13 LEU B 23 -40.905 7.320 6.290 1.00 0.00 H ATOM 224 H LEU B 23 -35.270 8.123 7.051 1.00 0.00 H ATOM 225 N ARG B 24 -37.599 6.660 3.622 1.00 42.35 N ATOM 226 CA ARG B 24 -37.576 6.667 2.169 1.00 44.45 C ATOM 227 C ARG B 24 -38.969 6.672 1.543 1.00 45.49 C ATOM 228 O ARG B 24 -39.868 5.925 1.971 1.00 45.42 O ATOM 229 CB ARG B 24 -36.756 5.491 1.657 1.00 43.06 C ATOM 230 CG ARG B 24 -36.759 5.340 0.144 1.00 47.14 C ATOM 231 CD ARG B 24 -35.836 4.225 -0.322 1.00 47.36 C ATOM 232 NE ARG B 24 -36.287 2.888 0.028 1.00 50.82 N ATOM 233 CZ ARG B 24 -35.605 1.775 -0.279 1.00 56.93 C ATOM 234 NH1 ARG B 24 -34.431 1.872 -0.924 1.00 56.89 N ATOM 235 NH2 ARG B 24 -36.065 0.575 0.074 1.00 50.78 N ATOM 236 HA ARG B 24 -37.106 7.602 1.863 1.00 0.00 H ATOM 237 HB2 ARG B 24 -35.725 5.624 1.985 1.00 0.00 H ATOM 238 HB3 ARG B 24 -37.160 4.577 2.093 1.00 0.00 H ATOM 239 HG2 ARG B 24 -37.774 5.117 -0.185 1.00 0.00 H ATOM 240 HG3 ARG B 24 -36.431 6.278 -0.304 1.00 0.00 H ATOM 241 HD2 ARG B 24 -34.856 4.383 0.127 1.00 0.00 H ATOM 242 HD3 ARG B 24 -35.751 4.283 -1.407 1.00 0.00 H ATOM 243 HE ARG B 24 -37.185 2.790 0.543 1.00 0.00 H ATOM 244 HH12 ARG B 24 -33.897 1.012 -1.165 1.00 0.00 H ATOM 245 HH11 ARG B 24 -34.055 2.807 -1.183 1.00 0.00 H ATOM 246 HH22 ARG B 24 -35.527 -0.281 -0.170 1.00 0.00 H ATOM 247 HH21 ARG B 24 -36.962 0.494 0.594 1.00 0.00 H ATOM 248 H ARG B 24 -38.216 5.986 4.120 1.00 0.00 H ATOM 249 N ILE B 25 -39.136 7.519 0.530 1.00 47.50 N ATOM 250 CA ILE B 25 -40.357 7.582 -0.246 1.00 45.55 C ATOM 251 C ILE B 25 -40.104 7.170 -1.688 1.00 47.46 C ATOM 252 O ILE B 25 -39.762 7.989 -2.537 1.00 48.60 O ATOM 253 CB ILE B 25 -40.991 8.990 -0.224 1.00 44.52 C ATOM 254 CG1 ILE B 25 -41.078 9.533 1.214 1.00 44.47 C ATOM 255 CG2 ILE B 25 -42.388 8.955 -0.814 1.00 44.81 C ATOM 256 CD1 ILE B 25 -41.280 11.105 1.269 1.00 38.74 C ATOM 257 HA ILE B 25 -41.055 6.886 0.218 1.00 0.00 H ATOM 258 HB ILE B 25 -40.354 9.644 -0.820 1.00 0.00 H ATOM 259 HG12 ILE B 25 -41.920 9.056 1.716 1.00 0.00 H ATOM 260 HG13 ILE B 25 -40.155 9.282 1.737 1.00 0.00 H ATOM 261 HD11 ILE B 25 -40.439 11.595 0.779 1.00 0.00 H ATOM 262 HD12 ILE B 25 -42.205 11.369 0.757 1.00 0.00 H ATOM 263 HD13 ILE B 25 -41.334 11.427 2.309 1.00 0.00 H ATOM 264 HG21 ILE B 25 -42.337 8.606 -1.845 1.00 0.00 H ATOM 265 HG22 ILE B 25 -43.011 8.277 -0.230 1.00 0.00 H ATOM 266 HG23 ILE B 25 -42.817 9.957 -0.789 1.00 0.00 H ATOM 267 H ILE B 25 -38.357 8.163 0.285 1.00 0.00 H ATOM 268 N LEU B 26 -40.312 5.895 -1.968 1.00 48.49 N ATOM 269 CA LEU B 26 -40.167 5.381 -3.325 1.00 48.12 C ATOM 270 C LEU B 26 -41.168 6.019 -4.289 1.00 49.87 C ATOM 271 O LEU B 26 -42.251 6.422 -3.877 1.00 50.02 O ATOM 272 CB LEU B 26 -40.312 3.863 -3.307 1.00 47.16 C ATOM 273 CG LEU B 26 -39.122 3.226 -2.610 1.00 51.02 C ATOM 274 CD1 LEU B 26 -39.241 1.666 -2.547 1.00 47.05 C ATOM 275 CD2 LEU B 26 -37.837 3.672 -3.344 1.00 50.98 C ATOM 276 HA LEU B 26 -39.174 5.645 -3.690 1.00 0.00 H ATOM 277 HB2 LEU B 26 -41.225 3.595 -2.776 1.00 0.00 H ATOM 278 HB3 LEU B 26 -40.368 3.495 -4.331 1.00 0.00 H ATOM 279 HG LEU B 26 -39.090 3.561 -1.573 1.00 0.00 H ATOM 280 HD21 LEU B 26 -37.882 3.346 -4.383 1.00 0.00 H ATOM 281 HD22 LEU B 26 -37.757 4.758 -3.306 1.00 0.00 H ATOM 282 HD23 LEU B 26 -36.969 3.225 -2.859 1.00 0.00 H ATOM 283 HD11 LEU B 26 -40.142 1.394 -1.998 1.00 0.00 H ATOM 284 HD12 LEU B 26 -39.296 1.266 -3.559 1.00 0.00 H ATOM 285 HD13 LEU B 26 -38.367 1.256 -2.040 1.00 0.00 H ATOM 286 H LEU B 26 -40.585 5.244 -1.204 1.00 0.00 H ATOM 287 N PRO B 27 -40.803 6.109 -5.586 1.00 50.18 N ATOM 288 CA PRO B 27 -41.654 6.774 -6.593 1.00 50.57 C ATOM 289 C PRO B 27 -43.043 6.151 -6.753 1.00 48.91 C ATOM 290 O PRO B 27 -43.951 6.832 -7.209 1.00 50.12 O ATOM 291 CB PRO B 27 -40.827 6.664 -7.882 1.00 47.77 C ATOM 292 CG PRO B 27 -39.384 6.557 -7.388 1.00 51.16 C ATOM 293 CD PRO B 27 -39.455 5.794 -6.106 1.00 48.26 C ATOM 294 HA PRO B 27 -41.883 7.800 -6.304 1.00 0.00 H ATOM 295 HD3 PRO B 27 -39.346 4.724 -6.283 1.00 0.00 H ATOM 296 HD2 PRO B 27 -38.683 6.126 -5.412 1.00 0.00 H ATOM 297 HG3 PRO B 27 -38.965 7.549 -7.218 1.00 0.00 H ATOM 298 HG2 PRO B 27 -38.771 6.024 -8.115 1.00 0.00 H ATOM 299 HB2 PRO B 27 -41.109 5.777 -8.449 1.00 0.00 H ATOM 300 HB3 PRO B 27 -40.959 7.549 -8.504 1.00 0.00 H ATOM 301 N ASP B 28 -43.202 4.879 -6.395 1.00 50.24 N ATOM 302 CA ASP B 28 -44.533 4.256 -6.354 1.00 54.27 C ATOM 303 C ASP B 28 -45.357 4.703 -5.123 1.00 54.94 C ATOM 304 O ASP B 28 -46.502 4.253 -4.928 1.00 56.75 O ATOM 305 CB ASP B 28 -44.428 2.733 -6.373 1.00 52.83 C ATOM 306 CG ASP B 28 -43.708 2.178 -5.166 1.00 59.59 C ATOM 307 OD1 ASP B 28 -43.149 2.977 -4.366 1.00 60.08 O ATOM 308 OD2 ASP B 28 -43.687 0.936 -5.016 1.00 64.51 O ATOM 309 HA ASP B 28 -45.056 4.594 -7.249 1.00 0.00 H ATOM 310 HB2 ASP B 28 -45.434 2.315 -6.401 1.00 0.00 H ATOM 311 HB3 ASP B 28 -43.886 2.433 -7.270 1.00 0.00 H ATOM 312 H ASP B 28 -42.367 4.314 -6.139 1.00 0.00 H ATOM 313 N GLY B 29 -44.769 5.571 -4.292 1.00 54.32 N ATOM 314 CA GLY B 29 -45.460 6.085 -3.112 1.00 54.42 C ATOM 315 C GLY B 29 -45.376 5.165 -1.919 1.00 51.19 C ATOM 316 O GLY B 29 -45.981 5.419 -0.885 1.00 54.98 O ATOM 317 HA3 GLY B 29 -46.511 6.231 -3.363 1.00 0.00 H ATOM 318 HA2 GLY B 29 -45.016 7.043 -2.842 1.00 0.00 H ATOM 319 H GLY B 29 -43.798 5.887 -4.490 1.00 0.00 H ATOM 320 N THR B 30 -44.643 4.069 -2.068 1.00 48.71 N ATOM 321 CA THR B 30 -44.315 3.236 -0.929 1.00 50.60 C ATOM 322 C THR B 30 -43.419 4.026 0.033 1.00 51.37 C ATOM 323 O THR B 30 -42.489 4.707 -0.383 1.00 49.64 O ATOM 324 CB THR B 30 -43.538 1.988 -1.358 1.00 54.83 C ATOM 325 OG1 THR B 30 -44.367 1.163 -2.168 1.00 56.78 O ATOM 326 CG2 THR B 30 -43.081 1.199 -0.126 1.00 58.06 C ATOM 327 HA THR B 30 -45.250 2.939 -0.454 1.00 0.00 H ATOM 328 HB THR B 30 -42.662 2.298 -1.927 1.00 0.00 H ATOM 329 HG1 THR B 30 -44.648 1.668 -2.972 1.00 0.00 H ATOM 330 HG23 THR B 30 -42.446 1.832 0.494 1.00 0.00 H ATOM 331 HG21 THR B 30 -43.953 0.885 0.447 1.00 0.00 H ATOM 332 HG22 THR B 30 -42.520 0.321 -0.446 1.00 0.00 H ATOM 333 H THR B 30 -44.300 3.805 -3.014 1.00 0.00 H ATOM 334 N VAL B 31 -43.698 3.939 1.325 1.00 52.03 N ATOM 335 CA VAL B 31 -42.827 4.529 2.321 1.00 48.65 C ATOM 336 C VAL B 31 -42.202 3.401 3.127 1.00 50.91 C ATOM 337 O VAL B 31 -42.911 2.499 3.577 1.00 50.80 O ATOM 338 CB VAL B 31 -43.583 5.418 3.277 1.00 48.59 C ATOM 339 CG1 VAL B 31 -42.625 5.916 4.375 1.00 43.61 C ATOM 340 CG2 VAL B 31 -44.241 6.583 2.527 1.00 45.70 C ATOM 341 HA VAL B 31 -42.080 5.134 1.807 1.00 0.00 H ATOM 342 HB VAL B 31 -44.384 4.849 3.749 1.00 0.00 H ATOM 343 HG11 VAL B 31 -42.218 5.061 4.915 1.00 0.00 H ATOM 344 HG12 VAL B 31 -41.812 6.479 3.918 1.00 0.00 H ATOM 345 HG13 VAL B 31 -43.170 6.559 5.067 1.00 0.00 H ATOM 346 HG21 VAL B 31 -43.472 7.173 2.029 1.00 0.00 H ATOM 347 HG22 VAL B 31 -44.936 6.190 1.785 1.00 0.00 H ATOM 348 HG23 VAL B 31 -44.781 7.211 3.236 1.00 0.00 H ATOM 349 H VAL B 31 -44.557 3.438 1.630 1.00 0.00 H ATOM 350 N ASP B 32 -40.882 3.445 3.283 1.00 46.64 N ATOM 351 CA ASP B 32 -40.155 2.469 4.101 1.00 49.63 C ATOM 352 C ASP B 32 -38.863 3.079 4.594 1.00 48.78 C ATOM 353 O ASP B 32 -38.707 4.304 4.594 1.00 47.79 O ATOM 354 CB ASP B 32 -39.872 1.176 3.326 1.00 53.32 C ATOM 355 CG ASP B 32 -39.023 1.399 2.037 1.00 57.77 C ATOM 356 OD1 ASP B 32 -39.152 2.454 1.350 1.00 57.10 O ATOM 357 OD2 ASP B 32 -38.239 0.475 1.684 1.00 57.69 O ATOM 358 HA ASP B 32 -40.783 2.208 4.953 1.00 0.00 H ATOM 359 HB2 ASP B 32 -39.333 0.491 3.981 1.00 0.00 H ATOM 360 HB3 ASP B 32 -40.824 0.729 3.040 1.00 0.00 H ATOM 361 H ASP B 32 -40.346 4.199 2.808 1.00 0.00 H ATOM 362 N GLY B 33 -37.926 2.233 5.002 1.00 52.45 N ATOM 363 CA GLY B 33 -36.609 2.706 5.434 1.00 51.41 C ATOM 364 C GLY B 33 -35.464 1.906 4.833 1.00 52.83 C ATOM 365 O GLY B 33 -35.635 0.754 4.479 1.00 57.10 O ATOM 366 HA3 GLY B 33 -36.552 2.632 6.520 1.00 0.00 H ATOM 367 HA2 GLY B 33 -36.499 3.749 5.136 1.00 0.00 H ATOM 368 H GLY B 33 -38.131 1.213 5.015 1.00 0.00 H ATOM 369 N THR B 34 -34.292 2.513 4.735 1.00 54.75 N ATOM 370 CA THR B 34 -33.112 1.856 4.201 1.00 54.46 C ATOM 371 C THR B 34 -31.841 2.321 4.923 1.00 54.42 C ATOM 372 O THR B 34 -31.692 3.510 5.251 1.00 52.34 O ATOM 373 CB THR B 34 -32.980 2.081 2.672 1.00 55.13 C ATOM 374 OG1 THR B 34 -31.716 1.589 2.226 1.00 58.89 O ATOM 375 CG2 THR B 34 -33.042 3.571 2.317 1.00 54.75 C ATOM 376 HA THR B 34 -33.232 0.787 4.376 1.00 0.00 H ATOM 377 HB THR B 34 -33.806 1.557 2.192 1.00 0.00 H ATOM 378 HG1 THR B 34 -31.651 0.621 2.425 1.00 0.00 H ATOM 379 HG23 THR B 34 -33.997 3.982 2.644 1.00 0.00 H ATOM 380 HG21 THR B 34 -32.229 4.097 2.817 1.00 0.00 H ATOM 381 HG22 THR B 34 -32.944 3.691 1.238 1.00 0.00 H ATOM 382 H THR B 34 -34.213 3.500 5.053 1.00 0.00 H ATOM 383 N ARG B 35 -30.915 1.394 5.156 1.00 55.74 N ATOM 384 CA ARG B 35 -29.646 1.753 5.797 1.00 56.33 C ATOM 385 C ARG B 35 -28.649 2.417 4.831 1.00 54.74 C ATOM 386 O ARG B 35 -27.684 3.033 5.277 1.00 51.07 O ATOM 387 CB ARG B 35 -29.015 0.547 6.508 1.00 56.96 C ATOM 388 CG ARG B 35 -29.968 -0.161 7.461 1.00 60.07 C ATOM 389 CD ARG B 35 -29.267 -0.732 8.657 1.00 67.68 C ATOM 390 NE ARG B 35 -30.216 -1.219 9.670 1.00 73.82 N ATOM 391 CZ ARG B 35 -30.443 -2.505 9.964 1.00 75.40 C ATOM 392 NH1 ARG B 35 -29.786 -3.480 9.332 1.00 80.63 N ATOM 393 NH2 ARG B 35 -31.322 -2.816 10.905 1.00 68.00 N ATOM 394 HA ARG B 35 -29.888 2.502 6.550 1.00 0.00 H ATOM 395 HB2 ARG B 35 -28.688 -0.167 5.752 1.00 0.00 H ATOM 396 HB3 ARG B 35 -28.152 0.894 7.076 1.00 0.00 H ATOM 397 HG2 ARG B 35 -30.716 0.554 7.803 1.00 0.00 H ATOM 398 HG3 ARG B 35 -30.461 -0.972 6.924 1.00 0.00 H ATOM 399 HD2 ARG B 35 -28.643 0.042 9.103 1.00 0.00 H ATOM 400 HD3 ARG B 35 -28.639 -1.562 8.334 1.00 0.00 H ATOM 401 HE ARG B 35 -30.755 -0.506 10.201 1.00 0.00 H ATOM 402 HH12 ARG B 35 -29.974 -4.474 9.572 1.00 0.00 H ATOM 403 HH11 ARG B 35 -29.086 -3.245 8.599 1.00 0.00 H ATOM 404 HH22 ARG B 35 -31.503 -3.813 11.138 1.00 0.00 H ATOM 405 HH21 ARG B 35 -31.831 -2.063 11.410 1.00 0.00 H ATOM 406 H ARG B 35 -31.093 0.407 4.881 1.00 0.00 H ATOM 407 N ASP B 36 -28.908 2.322 3.522 1.00 53.20 N ATOM 408 CA ASP B 36 -27.996 2.868 2.508 1.00 57.88 C ATOM 409 C ASP B 36 -28.119 4.371 2.351 1.00 56.26 C ATOM 410 O ASP B 36 -29.121 4.864 1.874 1.00 60.80 O ATOM 411 CB ASP B 36 -28.207 2.181 1.149 1.00 60.89 C ATOM 412 CG ASP B 36 -27.467 2.886 0.005 1.00 63.95 C ATOM 413 OD1 ASP B 36 -26.429 3.537 0.245 1.00 66.94 O ATOM 414 OD2 ASP B 36 -27.921 2.779 -1.146 1.00 65.46 O ATOM 415 HA ASP B 36 -26.987 2.660 2.865 1.00 0.00 H ATOM 416 HB2 ASP B 36 -27.846 1.155 1.217 1.00 0.00 H ATOM 417 HB3 ASP B 36 -29.273 2.175 0.923 1.00 0.00 H ATOM 418 H ASP B 36 -29.781 1.848 3.213 1.00 0.00 H ATOM 419 N ARG B 37 -27.071 5.089 2.703 1.00 55.96 N ATOM 420 CA ARG B 37 -27.114 6.538 2.725 1.00 56.77 C ATOM 421 C ARG B 37 -27.016 7.161 1.344 1.00 57.81 C ATOM 422 O ARG B 37 -27.385 8.311 1.138 1.00 58.04 O ATOM 423 CB ARG B 37 -25.992 7.069 3.626 1.00 59.15 C ATOM 424 CG ARG B 37 -26.179 8.496 4.063 1.00 59.21 C ATOM 425 CD ARG B 37 -25.038 8.933 4.941 1.00 62.15 C ATOM 426 NE ARG B 37 -25.218 10.294 5.435 1.00 62.39 N ATOM 427 CZ ARG B 37 -24.907 10.672 6.673 1.00 63.15 C ATOM 428 NH1 ARG B 37 -24.414 9.775 7.532 1.00 61.05 N ATOM 429 NH2 ARG B 37 -25.111 11.937 7.059 1.00 59.54 N ATOM 430 HA ARG B 37 -28.088 6.824 3.123 1.00 0.00 H ATOM 431 HB2 ARG B 37 -25.942 6.442 4.516 1.00 0.00 H ATOM 432 HB3 ARG B 37 -25.051 6.998 3.080 1.00 0.00 H ATOM 433 HG2 ARG B 37 -26.221 9.138 3.183 1.00 0.00 H ATOM 434 HG3 ARG B 37 -27.113 8.582 4.619 1.00 0.00 H ATOM 435 HD2 ARG B 37 -24.113 8.887 4.366 1.00 0.00 H ATOM 436 HD3 ARG B 37 -24.969 8.256 5.792 1.00 0.00 H ATOM 437 HE ARG B 37 -25.610 11.006 4.786 1.00 0.00 H ATOM 438 HH12 ARG B 37 -24.169 10.063 8.501 1.00 0.00 H ATOM 439 HH11 ARG B 37 -24.276 8.789 7.232 1.00 0.00 H ATOM 440 HH22 ARG B 37 -24.868 12.231 8.026 1.00 0.00 H ATOM 441 HH21 ARG B 37 -25.513 12.626 6.392 1.00 0.00 H ATOM 442 H ARG B 37 -26.191 4.604 2.972 1.00 0.00 H ATOM 443 N SER B 38 -26.527 6.404 0.390 1.00 60.99 N ATOM 444 CA SER B 38 -26.406 6.890 -0.981 1.00 64.25 C ATOM 445 C SER B 38 -27.718 6.780 -1.762 1.00 60.54 C ATOM 446 O SER B 38 -27.803 7.288 -2.863 1.00 63.91 O ATOM 447 CB SER B 38 -25.299 6.123 -1.714 1.00 63.50 C ATOM 448 OG SER B 38 -25.643 4.763 -1.815 1.00 65.57 O ATOM 449 HA SER B 38 -26.151 7.948 -0.924 1.00 0.00 H ATOM 450 HB2 SER B 38 -24.365 6.219 -1.160 1.00 0.00 H ATOM 451 HB3 SER B 38 -25.172 6.539 -2.714 1.00 0.00 H ATOM 452 HG SER B 38 -25.757 4.384 -0.907 1.00 0.00 H ATOM 453 H SER B 38 -26.219 5.437 0.616 1.00 0.00 H ATOM 454 N ASP B 39 -28.722 6.124 -1.190 1.00 57.56 N ATOM 455 CA ASP B 39 -30.020 5.983 -1.838 1.00 59.71 C ATOM 456 C ASP B 39 -30.621 7.324 -2.157 1.00 55.49 C ATOM 457 O ASP B 39 -30.619 8.202 -1.358 1.00 57.68 O ATOM 458 CB ASP B 39 -30.969 5.182 -0.959 1.00 54.39 C ATOM 459 CG ASP B 39 -32.293 4.876 -1.634 1.00 56.11 C ATOM 460 OD1 ASP B 39 -33.059 5.790 -1.947 1.00 52.87 O ATOM 461 OD2 ASP B 39 -32.613 3.706 -1.820 1.00 56.04 O ATOM 462 HA ASP B 39 -29.866 5.448 -2.775 1.00 0.00 H ATOM 463 HB2 ASP B 39 -30.487 4.240 -0.697 1.00 0.00 H ATOM 464 HB3 ASP B 39 -31.166 5.753 -0.051 1.00 0.00 H ATOM 465 H ASP B 39 -28.577 5.699 -0.252 1.00 0.00 H ATOM 466 N GLN B 40 -31.163 7.478 -3.341 1.00 59.02 N ATOM 467 CA GLN B 40 -31.606 8.789 -3.739 1.00 59.60 C ATOM 468 C GLN B 40 -33.044 9.137 -3.361 1.00 59.27 C ATOM 469 O GLN B 40 -33.505 10.247 -3.629 1.00 61.59 O ATOM 470 CB GLN B 40 -31.391 8.979 -5.232 1.00 61.23 C ATOM 471 CG GLN B 40 -31.150 10.438 -5.633 1.00 67.23 C ATOM 472 CD GLN B 40 -29.708 10.867 -5.440 1.00 68.95 C ATOM 473 OE1 GLN B 40 -28.844 10.031 -5.226 1.00 69.88 O ATOM 474 NE2 GLN B 40 -29.443 12.179 -5.520 1.00 66.07 N ATOM 475 HA GLN B 40 -30.991 9.485 -3.168 1.00 0.00 H ATOM 476 HB2 GLN B 40 -30.525 8.390 -5.534 1.00 0.00 H ATOM 477 HB3 GLN B 40 -32.275 8.618 -5.757 1.00 0.00 H ATOM 478 HG2 GLN B 40 -31.413 10.559 -6.684 1.00 0.00 H ATOM 479 HG3 GLN B 40 -31.789 11.078 -5.024 1.00 0.00 H ATOM 480 HE22 GLN B 40 -30.212 12.855 -5.704 1.00 0.00 H ATOM 481 HE21 GLN B 40 -28.468 12.521 -5.398 1.00 0.00 H ATOM 482 H GLN B 40 -31.271 6.666 -3.982 1.00 0.00 H ATOM 483 N HIS B 41 -33.745 8.220 -2.710 1.00 55.04 N ATOM 484 CA HIS B 41 -35.099 8.512 -2.286 1.00 52.36 C ATOM 485 C HIS B 41 -35.296 8.744 -0.793 1.00 49.33 C ATOM 486 O HIS B 41 -36.402 8.792 -0.301 1.00 48.69 O ATOM 487 CB HIS B 41 -36.012 7.458 -2.854 1.00 51.92 C ATOM 488 CG HIS B 41 -35.938 7.395 -4.342 1.00 54.66 C ATOM 489 ND1 HIS B 41 -35.152 6.488 -5.004 1.00 55.98 N ATOM 490 CD2 HIS B 41 -36.484 8.178 -5.292 1.00 50.53 C ATOM 491 CE1 HIS B 41 -35.238 6.696 -6.298 1.00 53.28 C ATOM 492 NE2 HIS B 41 -36.049 7.709 -6.498 1.00 53.08 N ATOM 493 HA HIS B 41 -35.359 9.490 -2.691 1.00 0.00 H ATOM 494 HB2 HIS B 41 -35.727 6.488 -2.446 1.00 0.00 H ATOM 495 HB3 HIS B 41 -37.037 7.686 -2.562 1.00 0.00 H ATOM 496 HD2 HIS B 41 -37.148 9.027 -5.129 1.00 0.00 H ATOM 497 HE1 HIS B 41 -34.725 6.126 -7.072 1.00 0.00 H ATOM 498 H HIS B 41 -33.324 7.292 -2.504 1.00 0.00 H ATOM 499 N ILE B 42 -34.200 8.935 -0.090 1.00 47.24 N ATOM 500 CA ILE B 42 -34.243 9.285 1.312 1.00 44.01 C ATOM 501 C ILE B 42 -33.902 10.740 1.504 1.00 45.77 C ATOM 502 O ILE B 42 -33.793 11.179 2.610 1.00 49.06 O ATOM 503 CB ILE B 42 -33.231 8.536 2.106 1.00 43.36 C ATOM 504 CG1 ILE B 42 -31.840 8.789 1.534 1.00 47.82 C ATOM 505 CG2 ILE B 42 -33.545 7.104 2.128 1.00 44.45 C ATOM 506 CD1 ILE B 42 -30.763 8.155 2.293 1.00 50.44 C ATOM 507 HA ILE B 42 -35.253 9.047 1.645 1.00 0.00 H ATOM 508 HB ILE B 42 -33.252 8.891 3.136 1.00 0.00 H ATOM 509 HG12 ILE B 42 -31.813 8.406 0.514 1.00 0.00 H ATOM 510 HG13 ILE B 42 -31.664 9.865 1.521 1.00 0.00 H ATOM 511 HD11 ILE B 42 -30.767 8.536 3.314 1.00 0.00 H ATOM 512 HD12 ILE B 42 -30.916 7.076 2.306 1.00 0.00 H ATOM 513 HD13 ILE B 42 -29.806 8.382 1.823 1.00 0.00 H ATOM 514 HG21 ILE B 42 -34.527 6.955 2.578 1.00 0.00 H ATOM 515 HG22 ILE B 42 -33.549 6.719 1.108 1.00 0.00 H ATOM 516 HG23 ILE B 42 -32.792 6.577 2.714 1.00 0.00 H ATOM 517 H ILE B 42 -33.276 8.831 -0.556 1.00 0.00 H ATOM 518 N GLN B 43 -33.724 11.473 0.423 1.00 46.93 N ATOM 519 CA GLN B 43 -33.437 12.895 0.519 1.00 47.96 C ATOM 520 C GLN B 43 -34.670 13.747 0.668 1.00 47.93 C ATOM 521 O GLN B 43 -35.394 13.922 -0.259 1.00 51.83 O ATOM 522 CB GLN B 43 -32.637 13.340 -0.679 1.00 50.08 C ATOM 523 CG GLN B 43 -31.183 13.032 -0.519 1.00 54.93 C ATOM 524 CD GLN B 43 -30.370 13.277 -1.749 1.00 63.09 C ATOM 525 OE1 GLN B 43 -30.659 14.157 -2.549 1.00 64.07 O ATOM 526 NE2 GLN B 43 -29.341 12.484 -1.916 1.00 64.14 N ATOM 527 HA GLN B 43 -32.856 13.035 1.431 1.00 0.00 H ATOM 528 HB2 GLN B 43 -33.012 12.827 -1.565 1.00 0.00 H ATOM 529 HB3 GLN B 43 -32.759 14.416 -0.805 1.00 0.00 H ATOM 530 HG2 GLN B 43 -30.787 13.654 0.283 1.00 0.00 H ATOM 531 HG3 GLN B 43 -31.083 11.982 -0.245 1.00 0.00 H ATOM 532 HE22 GLN B 43 -29.131 11.749 -1.211 1.00 0.00 H ATOM 533 HE21 GLN B 43 -28.734 12.590 -2.754 1.00 0.00 H ATOM 534 H GLN B 43 -33.790 11.027 -0.514 1.00 0.00 H ATOM 535 N LEU B 44 -34.897 14.264 1.860 1.00 46.74 N ATOM 536 CA LEU B 44 -36.116 14.975 2.189 1.00 46.39 C ATOM 537 C LEU B 44 -35.911 16.465 2.360 1.00 49.20 C ATOM 538 O LEU B 44 -34.806 16.964 2.548 1.00 50.95 O ATOM 539 CB LEU B 44 -36.771 14.390 3.438 1.00 45.59 C ATOM 540 CG LEU B 44 -36.829 12.851 3.457 1.00 46.54 C ATOM 541 CD1 LEU B 44 -37.481 12.350 4.716 1.00 48.77 C ATOM 542 CD2 LEU B 44 -37.539 12.266 2.253 1.00 43.74 C ATOM 543 HA LEU B 44 -36.780 14.841 1.335 1.00 0.00 H ATOM 544 HB2 LEU B 44 -36.205 14.722 4.309 1.00 0.00 H ATOM 545 HB3 LEU B 44 -37.790 14.772 3.501 1.00 0.00 H ATOM 546 HG LEU B 44 -35.793 12.515 3.421 1.00 0.00 H ATOM 547 HD21 LEU B 44 -38.564 12.635 2.223 1.00 0.00 H ATOM 548 HD22 LEU B 44 -37.017 12.565 1.344 1.00 0.00 H ATOM 549 HD23 LEU B 44 -37.544 11.179 2.329 1.00 0.00 H ATOM 550 HD11 LEU B 44 -36.909 12.689 5.580 1.00 0.00 H ATOM 551 HD12 LEU B 44 -38.497 12.739 4.777 1.00 0.00 H ATOM 552 HD13 LEU B 44 -37.508 11.260 4.701 1.00 0.00 H ATOM 553 H LEU B 44 -34.170 14.157 2.596 1.00 0.00 H ATOM 554 N GLN B 45 -37.008 17.178 2.285 1.00 50.48 N ATOM 555 CA GLN B 45 -37.010 18.579 2.458 1.00 50.53 C ATOM 556 C GLN B 45 -38.237 18.863 3.289 1.00 51.04 C ATOM 557 O GLN B 45 -39.308 18.438 2.946 1.00 52.93 O ATOM 558 CB GLN B 45 -37.117 19.239 1.119 1.00 50.67 C ATOM 559 CG GLN B 45 -37.465 20.680 1.218 1.00 58.45 C ATOM 560 CD GLN B 45 -37.411 21.393 -0.117 1.00 71.90 C ATOM 561 OE1 GLN B 45 -36.365 21.453 -0.761 1.00 73.75 O ATOM 562 NE2 GLN B 45 -38.541 21.943 -0.535 1.00 73.94 N ATOM 563 HA GLN B 45 -36.104 18.952 2.936 1.00 0.00 H ATOM 564 HB2 GLN B 45 -36.160 19.145 0.606 1.00 0.00 H ATOM 565 HB3 GLN B 45 -37.889 18.732 0.540 1.00 0.00 H ATOM 566 HG2 GLN B 45 -38.475 20.767 1.619 1.00 0.00 H ATOM 567 HG3 GLN B 45 -36.763 21.162 1.898 1.00 0.00 H ATOM 568 HE22 GLN B 45 -39.402 21.867 0.044 1.00 0.00 H ATOM 569 HE21 GLN B 45 -38.568 22.451 -1.442 1.00 0.00 H ATOM 570 H GLN B 45 -37.908 16.695 2.091 1.00 0.00 H ATOM 571 N LEU B 46 -38.068 19.533 4.413 1.00 51.09 N ATOM 572 CA LEU B 46 -39.189 19.866 5.272 1.00 51.69 C ATOM 573 C LEU B 46 -39.584 21.294 5.047 1.00 55.32 C ATOM 574 O LEU B 46 -38.749 22.154 4.968 1.00 55.04 O ATOM 575 CB LEU B 46 -38.815 19.705 6.717 1.00 50.67 C ATOM 576 CG LEU B 46 -38.877 18.297 7.259 1.00 55.00 C ATOM 577 CD1 LEU B 46 -37.741 17.435 6.735 1.00 56.60 C ATOM 578 CD2 LEU B 46 -38.819 18.373 8.755 1.00 53.80 C ATOM 579 HA LEU B 46 -40.014 19.195 5.032 1.00 0.00 H ATOM 580 HB2 LEU B 46 -37.794 20.067 6.841 1.00 0.00 H ATOM 581 HB3 LEU B 46 -39.492 20.321 7.309 1.00 0.00 H ATOM 582 HG LEU B 46 -39.805 17.831 6.929 1.00 0.00 H ATOM 583 HD21 LEU B 46 -37.888 18.853 9.057 1.00 0.00 H ATOM 584 HD22 LEU B 46 -39.665 18.955 9.121 1.00 0.00 H ATOM 585 HD23 LEU B 46 -38.862 17.366 9.171 1.00 0.00 H ATOM 586 HD11 LEU B 46 -37.797 17.385 5.648 1.00 0.00 H ATOM 587 HD12 LEU B 46 -36.788 17.873 7.031 1.00 0.00 H ATOM 588 HD13 LEU B 46 -37.826 16.431 7.151 1.00 0.00 H ATOM 589 H LEU B 46 -37.110 19.829 4.689 1.00 0.00 H ATOM 590 N SER B 47 -40.871 21.530 4.913 1.00 57.88 N ATOM 591 CA SER B 47 -41.364 22.857 4.631 1.00 61.14 C ATOM 592 C SER B 47 -42.541 23.130 5.498 1.00 63.11 C ATOM 593 O SER B 47 -43.303 22.244 5.841 1.00 60.37 O ATOM 594 CB SER B 47 -41.754 23.028 3.161 1.00 62.07 C ATOM 595 OG SER B 47 -43.141 22.791 2.990 1.00 66.09 O ATOM 596 HA SER B 47 -40.563 23.566 4.838 1.00 0.00 H ATOM 597 HB2 SER B 47 -41.190 22.320 2.554 1.00 0.00 H ATOM 598 HB3 SER B 47 -41.520 24.044 2.842 1.00 0.00 H ATOM 599 HG SER B 47 -43.379 22.905 2.036 1.00 0.00 H ATOM 600 H SER B 47 -41.546 20.745 5.012 1.00 0.00 H ATOM 601 N ALA B 48 -42.669 24.394 5.861 1.00 70.96 N ATOM 602 CA ALA B 48 -43.660 24.823 6.814 1.00 72.20 C ATOM 603 C ALA B 48 -44.918 25.321 6.155 1.00 74.51 C ATOM 604 O ALA B 48 -44.887 26.011 5.170 1.00 75.31 O ATOM 605 CB ALA B 48 -43.092 25.869 7.663 1.00 71.79 C ATOM 606 HA ALA B 48 -43.938 23.957 7.414 1.00 0.00 H ATOM 607 HB1 ALA B 48 -42.223 25.475 8.191 1.00 0.00 H ATOM 608 HB2 ALA B 48 -42.790 26.714 7.044 1.00 0.00 H ATOM 609 HB3 ALA B 48 -43.840 26.195 8.385 1.00 0.00 H ATOM 610 H ALA B 48 -42.033 25.103 5.444 1.00 0.00 H ATOM 611 N GLU B 49 -46.035 24.909 6.705 1.00 75.46 N ATOM 612 CA GLU B 49 -47.294 25.532 6.427 1.00 79.78 C ATOM 613 C GLU B 49 -47.460 26.483 7.600 1.00 80.68 C ATOM 614 O GLU B 49 -46.610 27.331 7.833 1.00 78.90 O ATOM 615 CB GLU B 49 -48.394 24.477 6.388 1.00 77.59 C ATOM 616 CG GLU B 49 -49.795 25.038 6.267 1.00 85.85 C ATOM 617 CD GLU B 49 -50.100 25.589 4.882 1.00 90.46 C ATOM 618 OE1 GLU B 49 -49.563 26.652 4.517 1.00 91.39 O ATOM 619 OE2 GLU B 49 -50.892 24.957 4.166 1.00 90.02 O ATOM 620 HA GLU B 49 -47.344 26.044 5.466 1.00 0.00 H ATOM 621 HB2 GLU B 49 -48.212 23.826 5.533 1.00 0.00 H ATOM 622 HB3 GLU B 49 -48.339 23.892 7.306 1.00 0.00 H ATOM 623 HG2 GLU B 49 -50.507 24.244 6.489 1.00 0.00 H ATOM 624 HG3 GLU B 49 -49.911 25.842 6.994 1.00 0.00 H ATOM 625 H GLU B 49 -46.005 24.105 7.364 1.00 0.00 H ATOM 626 N SER B 50 -48.520 26.311 8.373 1.00 79.33 N ATOM 627 CA SER B 50 -48.645 27.040 9.629 1.00 78.08 C ATOM 628 C SER B 50 -47.414 26.799 10.499 1.00 75.19 C ATOM 629 O SER B 50 -46.586 25.923 10.232 1.00 75.28 O ATOM 630 CB SER B 50 -49.911 26.618 10.384 1.00 79.79 C ATOM 631 OG SER B 50 -51.072 26.693 9.568 1.00 84.49 O ATOM 632 HA SER B 50 -48.721 28.103 9.400 1.00 0.00 H ATOM 633 HB2 SER B 50 -50.043 27.275 11.244 1.00 0.00 H ATOM 634 HB3 SER B 50 -49.789 25.591 10.728 1.00 0.00 H ATOM 635 HG SER B 50 -50.964 26.094 8.787 1.00 0.00 H ATOM 636 H SER B 50 -49.269 25.651 8.082 1.00 0.00 H ATOM 637 N VAL B 51 -47.280 27.607 11.536 1.00 76.08 N ATOM 638 CA VAL B 51 -46.241 27.409 12.540 1.00 76.16 C ATOM 639 C VAL B 51 -46.453 26.072 13.286 1.00 70.79 C ATOM 640 O VAL B 51 -47.525 25.793 13.799 1.00 69.26 O ATOM 641 CB VAL B 51 -46.234 28.605 13.514 1.00 71.62 C ATOM 642 CG1 VAL B 51 -47.637 28.936 13.891 1.00 71.52 C ATOM 643 CG2 VAL B 51 -45.395 28.319 14.734 1.00 70.37 C ATOM 644 HA VAL B 51 -45.269 27.356 12.050 1.00 0.00 H ATOM 645 HB VAL B 51 -45.783 29.464 13.016 1.00 0.00 H ATOM 646 HG11 VAL B 51 -48.201 29.196 12.995 1.00 0.00 H ATOM 647 HG12 VAL B 51 -48.096 28.073 14.373 1.00 0.00 H ATOM 648 HG13 VAL B 51 -47.637 29.781 14.580 1.00 0.00 H ATOM 649 HG21 VAL B 51 -45.798 27.451 15.255 1.00 0.00 H ATOM 650 HG22 VAL B 51 -44.369 28.116 14.428 1.00 0.00 H ATOM 651 HG23 VAL B 51 -45.414 29.184 15.397 1.00 0.00 H ATOM 652 H VAL B 51 -47.935 28.408 11.639 1.00 0.00 H ATOM 653 N GLY B 52 -45.425 25.245 13.328 1.00 68.55 N ATOM 654 CA GLY B 52 -45.547 23.946 13.972 1.00 69.93 C ATOM 655 C GLY B 52 -45.828 22.781 13.032 1.00 70.63 C ATOM 656 O GLY B 52 -45.577 21.618 13.409 1.00 64.80 O ATOM 657 HA3 GLY B 52 -46.362 24.002 14.693 1.00 0.00 H ATOM 658 HA2 GLY B 52 -44.614 23.740 14.496 1.00 0.00 H ATOM 659 H GLY B 52 -44.521 25.524 12.897 1.00 0.00 H ATOM 660 N GLU B 53 -46.351 23.100 11.833 1.00 68.40 N ATOM 661 CA GLU B 53 -46.761 22.135 10.793 1.00 63.27 C ATOM 662 C GLU B 53 -45.641 21.979 9.800 1.00 61.47 C ATOM 663 O GLU B 53 -44.964 22.957 9.485 1.00 66.04 O ATOM 664 CB GLU B 53 -47.987 22.656 10.007 1.00 68.23 C ATOM 665 CG GLU B 53 -49.247 22.984 10.838 1.00 71.09 C ATOM 666 CD GLU B 53 -50.473 23.338 9.987 1.00 75.41 C ATOM 667 OE1 GLU B 53 -50.322 24.014 8.951 1.00 81.96 O ATOM 668 OE2 GLU B 53 -51.599 22.951 10.357 1.00 73.30 O ATOM 669 HA GLU B 53 -47.004 21.194 11.285 1.00 0.00 H ATOM 670 HB2 GLU B 53 -47.686 23.566 9.487 1.00 0.00 H ATOM 671 HB3 GLU B 53 -48.260 21.895 9.276 1.00 0.00 H ATOM 672 HG2 GLU B 53 -49.492 22.116 11.450 1.00 0.00 H ATOM 673 HG3 GLU B 53 -49.021 23.831 11.486 1.00 0.00 H ATOM 674 H GLU B 53 -46.477 24.110 11.622 1.00 0.00 H ATOM 675 N VAL B 54 -45.441 20.772 9.279 1.00 56.98 N ATOM 676 CA VAL B 54 -44.496 20.601 8.156 1.00 56.17 C ATOM 677 C VAL B 54 -45.021 19.674 7.082 1.00 52.82 C ATOM 678 O VAL B 54 -45.863 18.809 7.336 1.00 51.72 O ATOM 679 CB VAL B 54 -43.114 20.050 8.587 1.00 55.95 C ATOM 680 CG1 VAL B 54 -42.438 20.979 9.550 1.00 55.07 C ATOM 681 CG2 VAL B 54 -43.243 18.605 9.182 1.00 50.41 C ATOM 682 HA VAL B 54 -44.384 21.613 7.766 1.00 0.00 H ATOM 683 HB VAL B 54 -42.488 19.986 7.697 1.00 0.00 H ATOM 684 HG11 VAL B 54 -42.294 21.950 9.076 1.00 0.00 H ATOM 685 HG12 VAL B 54 -43.060 21.095 10.438 1.00 0.00 H ATOM 686 HG13 VAL B 54 -41.471 20.565 9.834 1.00 0.00 H ATOM 687 HG21 VAL B 54 -43.897 18.630 10.054 1.00 0.00 H ATOM 688 HG22 VAL B 54 -43.665 17.940 8.429 1.00 0.00 H ATOM 689 HG23 VAL B 54 -42.257 18.245 9.475 1.00 0.00 H ATOM 690 H VAL B 54 -45.949 19.949 9.662 1.00 0.00 H ATOM 691 N TYR B 55 -44.499 19.855 5.883 1.00 52.21 N ATOM 692 CA TYR B 55 -44.633 18.871 4.832 1.00 50.36 C ATOM 693 C TYR B 55 -43.273 18.208 4.787 1.00 50.45 C ATOM 694 O TYR B 55 -42.228 18.883 4.878 1.00 48.32 O ATOM 695 CB TYR B 55 -44.864 19.550 3.497 1.00 49.05 C ATOM 696 CG TYR B 55 -46.250 20.103 3.297 1.00 55.98 C ATOM 697 CD1 TYR B 55 -46.471 21.480 3.260 1.00 58.39 C ATOM 698 CD2 TYR B 55 -47.336 19.248 3.118 1.00 55.31 C ATOM 699 CE1 TYR B 55 -47.752 21.985 3.072 1.00 62.23 C ATOM 700 CE2 TYR B 55 -48.601 19.734 2.912 1.00 58.41 C ATOM 701 CZ TYR B 55 -48.802 21.104 2.885 1.00 61.47 C ATOM 702 OH TYR B 55 -50.062 21.573 2.682 1.00 66.57 O ATOM 703 HA TYR B 55 -45.463 18.188 5.014 1.00 0.00 H ATOM 704 HB3 TYR B 55 -44.673 18.821 2.709 1.00 0.00 H ATOM 705 HB2 TYR B 55 -44.155 20.373 3.409 1.00 0.00 H ATOM 706 HD2 TYR B 55 -47.176 18.170 3.142 1.00 0.00 H ATOM 707 HE2 TYR B 55 -49.438 19.051 2.771 1.00 0.00 H ATOM 708 HE1 TYR B 55 -47.927 23.061 3.072 1.00 0.00 H ATOM 709 HD1 TYR B 55 -45.632 22.165 3.380 1.00 0.00 H ATOM 710 HH TYR B 55 -50.049 22.563 2.688 1.00 0.00 H ATOM 711 H TYR B 55 -43.975 20.732 5.688 1.00 0.00 H ATOM 712 N ILE B 56 -43.276 16.894 4.647 1.00 45.57 N ATOM 713 CA ILE B 56 -42.059 16.179 4.406 1.00 44.62 C ATOM 714 C ILE B 56 -42.014 15.695 2.957 1.00 48.68 C ATOM 715 O ILE B 56 -42.719 14.744 2.616 1.00 48.90 O ATOM 716 CB ILE B 56 -41.942 15.021 5.373 1.00 47.35 C ATOM 717 CG1 ILE B 56 -42.032 15.583 6.802 1.00 46.54 C ATOM 718 CG2 ILE B 56 -40.611 14.253 5.145 1.00 43.77 C ATOM 719 CD1 ILE B 56 -42.223 14.508 7.881 1.00 44.02 C ATOM 720 HA ILE B 56 -41.211 16.844 4.567 1.00 0.00 H ATOM 721 HB ILE B 56 -42.750 14.308 5.212 1.00 0.00 H ATOM 722 HG12 ILE B 56 -41.111 16.126 7.017 1.00 0.00 H ATOM 723 HG13 ILE B 56 -42.877 16.270 6.848 1.00 0.00 H ATOM 724 HD11 ILE B 56 -43.147 13.962 7.689 1.00 0.00 H ATOM 725 HD12 ILE B 56 -41.380 13.817 7.857 1.00 0.00 H ATOM 726 HD13 ILE B 56 -42.277 14.984 8.860 1.00 0.00 H ATOM 727 HG21 ILE B 56 -40.585 13.868 4.126 1.00 0.00 H ATOM 728 HG22 ILE B 56 -39.771 14.930 5.300 1.00 0.00 H ATOM 729 HG23 ILE B 56 -40.546 13.424 5.850 1.00 0.00 H ATOM 730 H ILE B 56 -44.173 16.373 4.713 1.00 0.00 H ATOM 731 N LYS B 57 -41.176 16.336 2.127 1.00 48.30 N ATOM 732 CA LYS B 57 -41.192 16.127 0.692 1.00 48.38 C ATOM 733 C LYS B 57 -39.898 15.539 0.114 1.00 51.38 C ATOM 734 O LYS B 57 -38.782 15.965 0.467 1.00 51.10 O ATOM 735 CB LYS B 57 -41.479 17.453 -0.010 1.00 51.32 C ATOM 736 CG LYS B 57 -41.779 17.320 -1.517 1.00 54.15 C ATOM 737 CD LYS B 57 -41.907 18.684 -2.178 1.00 56.30 C ATOM 738 CE LYS B 57 -40.543 19.297 -2.380 1.00 68.02 C ATOM 739 NZ LYS B 57 -40.582 20.535 -3.216 1.00 74.30 N ATOM 740 HA LYS B 57 -41.974 15.389 0.512 1.00 0.00 H ATOM 741 HB2 LYS B 57 -42.341 17.915 0.471 1.00 0.00 H ATOM 742 HB3 LYS B 57 -40.609 18.099 0.110 1.00 0.00 H ATOM 743 HG2 LYS B 57 -40.968 16.769 -1.993 1.00 0.00 H ATOM 744 HG3 LYS B 57 -42.713 16.773 -1.646 1.00 0.00 H ATOM 745 HD2 LYS B 57 -42.398 18.571 -3.145 1.00 0.00 H ATOM 746 HD3 LYS B 57 -42.505 19.337 -1.543 1.00 0.00 H ATOM 747 HE2 LYS B 57 -39.901 18.565 -2.871 1.00 0.00 H ATOM 748 HE3 LYS B 57 -40.126 19.548 -1.405 1.00 0.00 H ATOM 749 HZ1 LYS B 57 -40.970 20.307 -4.153 1.00 0.00 H ATOM 750 HZ2 LYS B 57 -41.185 21.245 -2.754 1.00 0.00 H ATOM 751 HZ3 LYS B 57 -39.618 20.912 -3.321 1.00 0.00 H ATOM 752 H LYS B 57 -40.490 17.007 2.528 1.00 0.00 H ATOM 753 N SER B 58 -40.050 14.594 -0.820 1.00 50.44 N ATOM 754 CA SER B 58 -38.916 13.992 -1.532 1.00 48.99 C ATOM 755 C SER B 58 -38.362 14.986 -2.508 1.00 52.58 C ATOM 756 O SER B 58 -39.119 15.575 -3.304 1.00 53.78 O ATOM 757 CB SER B 58 -39.372 12.755 -2.291 1.00 51.11 C ATOM 758 OG SER B 58 -38.307 12.159 -3.008 1.00 50.09 O ATOM 759 HA SER B 58 -38.151 13.709 -0.808 1.00 0.00 H ATOM 760 HB2 SER B 58 -40.155 13.040 -2.993 1.00 0.00 H ATOM 761 HB3 SER B 58 -39.769 12.030 -1.580 1.00 0.00 H ATOM 762 HG SER B 58 -38.640 11.360 -3.488 1.00 0.00 H ATOM 763 H SER B 58 -41.011 14.272 -1.052 1.00 0.00 H ATOM 764 N THR B 59 -37.049 15.199 -2.442 1.00 51.08 N ATOM 765 CA THR B 59 -36.359 16.145 -3.337 1.00 54.29 C ATOM 766 C THR B 59 -36.140 15.515 -4.705 1.00 57.49 C ATOM 767 O THR B 59 -36.109 16.203 -5.714 1.00 59.71 O ATOM 768 CB THR B 59 -35.027 16.637 -2.743 1.00 57.96 C ATOM 769 OG1 THR B 59 -34.279 15.529 -2.238 1.00 56.57 O ATOM 770 CG2 THR B 59 -35.263 17.617 -1.573 1.00 55.85 C ATOM 771 HA THR B 59 -37.001 17.019 -3.449 1.00 0.00 H ATOM 772 HB THR B 59 -34.483 17.143 -3.540 1.00 0.00 H ATOM 773 HG1 THR B 59 -34.803 15.073 -1.532 1.00 0.00 H ATOM 774 HG23 THR B 59 -35.833 18.475 -1.929 1.00 0.00 H ATOM 775 HG21 THR B 59 -35.820 17.111 -0.784 1.00 0.00 H ATOM 776 HG22 THR B 59 -34.302 17.954 -1.183 1.00 0.00 H ATOM 777 H THR B 59 -36.491 14.680 -1.734 1.00 0.00 H ATOM 778 N GLU B 60 -36.045 14.188 -4.728 1.00 57.98 N ATOM 779 CA GLU B 60 -35.941 13.427 -5.959 1.00 56.18 C ATOM 780 C GLU B 60 -37.248 13.425 -6.765 1.00 56.28 C ATOM 781 O GLU B 60 -37.222 13.649 -7.958 1.00 54.20 O ATOM 782 CB GLU B 60 -35.499 11.996 -5.642 1.00 54.22 C ATOM 783 CG GLU B 60 -35.402 11.063 -6.855 1.00 65.47 C ATOM 784 CD GLU B 60 -34.393 11.541 -7.929 1.00 70.87 C ATOM 785 OE1 GLU B 60 -34.714 11.424 -9.149 1.00 72.92 O ATOM 786 OE2 GLU B 60 -33.286 12.011 -7.554 1.00 74.18 O ATOM 787 HA GLU B 60 -35.193 13.913 -6.585 1.00 0.00 H ATOM 788 HB2 GLU B 60 -34.517 12.042 -5.171 1.00 0.00 H ATOM 789 HB3 GLU B 60 -36.217 11.568 -4.942 1.00 0.00 H ATOM 790 HG2 GLU B 60 -35.094 10.077 -6.507 1.00 0.00 H ATOM 791 HG3 GLU B 60 -36.388 10.993 -7.315 1.00 0.00 H ATOM 792 H GLU B 60 -36.045 13.674 -3.824 1.00 0.00 H ATOM 793 N THR B 61 -38.389 13.189 -6.110 1.00 55.66 N ATOM 794 CA THR B 61 -39.654 12.941 -6.837 1.00 54.22 C ATOM 795 C THR B 61 -40.681 14.042 -6.688 1.00 51.51 C ATOM 796 O THR B 61 -41.664 14.079 -7.444 1.00 52.05 O ATOM 797 CB THR B 61 -40.349 11.595 -6.425 1.00 51.21 C ATOM 798 OG1 THR B 61 -40.668 11.630 -5.031 1.00 52.19 O ATOM 799 CG2 THR B 61 -39.434 10.399 -6.660 1.00 53.71 C ATOM 800 HA THR B 61 -39.329 12.895 -7.876 1.00 0.00 H ATOM 801 HB THR B 61 -41.246 11.489 -7.035 1.00 0.00 H ATOM 802 HG1 THR B 61 -39.837 11.747 -4.506 1.00 0.00 H ATOM 803 HG23 THR B 61 -39.173 10.345 -7.717 1.00 0.00 H ATOM 804 HG21 THR B 61 -38.528 10.514 -6.066 1.00 0.00 H ATOM 805 HG22 THR B 61 -39.950 9.485 -6.365 1.00 0.00 H ATOM 806 H THR B 61 -38.388 13.179 -5.070 1.00 0.00 H ATOM 807 N GLY B 62 -40.492 14.920 -5.707 1.00 52.13 N ATOM 808 CA GLY B 62 -41.542 15.891 -5.363 1.00 51.69 C ATOM 809 C GLY B 62 -42.738 15.296 -4.602 1.00 52.53 C ATOM 810 O GLY B 62 -43.686 16.006 -4.285 1.00 56.02 O ATOM 811 HA3 GLY B 62 -41.913 16.333 -6.288 1.00 0.00 H ATOM 812 HA2 GLY B 62 -41.097 16.669 -4.743 1.00 0.00 H ATOM 813 H GLY B 62 -39.596 14.920 -5.180 1.00 0.00 H ATOM 814 N GLN B 63 -42.722 13.993 -4.325 1.00 50.12 N ATOM 815 CA GLN B 63 -43.796 13.387 -3.544 1.00 51.79 C ATOM 816 C GLN B 63 -43.770 13.875 -2.095 1.00 50.39 C ATOM 817 O GLN B 63 -42.698 14.161 -1.524 1.00 50.35 O ATOM 818 CB GLN B 63 -43.711 11.852 -3.549 1.00 50.19 C ATOM 819 CG GLN B 63 -44.191 11.159 -4.810 1.00 49.19 C ATOM 820 CD GLN B 63 -44.066 9.666 -4.661 1.00 55.97 C ATOM 821 OE1 GLN B 63 -45.018 8.988 -4.290 1.00 60.42 O ATOM 822 NE2 GLN B 63 -42.887 9.139 -4.910 1.00 56.58 N ATOM 823 HA GLN B 63 -44.730 13.692 -4.017 1.00 0.00 H ATOM 824 HB2 GLN B 63 -42.668 11.576 -3.394 1.00 0.00 H ATOM 825 HB3 GLN B 63 -44.311 11.483 -2.717 1.00 0.00 H ATOM 826 HG2 GLN B 63 -45.235 11.417 -4.988 1.00 0.00 H ATOM 827 HG3 GLN B 63 -43.587 11.489 -5.655 1.00 0.00 H ATOM 828 HE22 GLN B 63 -42.102 9.745 -5.223 1.00 0.00 H ATOM 829 HE21 GLN B 63 -42.740 8.116 -4.794 1.00 0.00 H ATOM 830 H GLN B 63 -41.938 13.403 -4.668 1.00 0.00 H ATOM 831 N TYR B 64 -44.956 13.966 -1.506 1.00 45.41 N ATOM 832 CA TYR B 64 -45.107 14.310 -0.085 1.00 44.72 C ATOM 833 C TYR B 64 -45.421 13.078 0.735 1.00 44.69 C ATOM 834 O TYR B 64 -46.203 12.220 0.305 1.00 45.67 O ATOM 835 CB TYR B 64 -46.246 15.281 0.105 1.00 43.01 C ATOM 836 CG TYR B 64 -46.032 16.608 -0.552 1.00 48.82 C ATOM 837 CD1 TYR B 64 -46.004 16.722 -1.923 1.00 53.26 C ATOM 838 CD2 TYR B 64 -45.868 17.766 0.209 1.00 56.03 C ATOM 839 CE1 TYR B 64 -45.809 17.944 -2.539 1.00 56.92 C ATOM 840 CE2 TYR B 64 -45.681 18.996 -0.404 1.00 61.24 C ATOM 841 CZ TYR B 64 -45.648 19.063 -1.794 1.00 61.28 C ATOM 842 OH TYR B 64 -45.460 20.248 -2.448 1.00 65.43 O ATOM 843 HA TYR B 64 -44.166 14.753 0.242 1.00 0.00 H ATOM 844 HB3 TYR B 64 -46.381 15.446 1.174 1.00 0.00 H ATOM 845 HB2 TYR B 64 -47.150 14.835 -0.310 1.00 0.00 H ATOM 846 HD2 TYR B 64 -45.887 17.703 1.297 1.00 0.00 H ATOM 847 HE2 TYR B 64 -45.561 19.899 0.195 1.00 0.00 H ATOM 848 HE1 TYR B 64 -45.785 18.007 -3.627 1.00 0.00 H ATOM 849 HD1 TYR B 64 -46.138 15.831 -2.536 1.00 0.00 H ATOM 850 HH TYR B 64 -45.468 20.089 -3.425 1.00 0.00 H ATOM 851 H TYR B 64 -45.811 13.787 -2.071 1.00 0.00 H ATOM 852 N LEU B 65 -44.805 12.973 1.912 1.00 44.17 N ATOM 853 CA LEU B 65 -45.205 11.978 2.896 1.00 41.98 C ATOM 854 C LEU B 65 -46.612 12.323 3.333 1.00 43.75 C ATOM 855 O LEU B 65 -46.970 13.501 3.392 1.00 45.22 O ATOM 856 CB LEU B 65 -44.286 11.976 4.110 1.00 41.85 C ATOM 857 CG LEU B 65 -44.506 10.835 5.109 1.00 40.42 C ATOM 858 CD1 LEU B 65 -44.132 9.483 4.504 1.00 39.93 C ATOM 859 CD2 LEU B 65 -43.696 11.100 6.405 1.00 39.52 C ATOM 860 HA LEU B 65 -45.149 10.985 2.449 1.00 0.00 H ATOM 861 HB2 LEU B 65 -43.258 11.914 3.752 1.00 0.00 H ATOM 862 HB3 LEU B 65 -44.429 12.918 4.640 1.00 0.00 H ATOM 863 HG LEU B 65 -45.567 10.800 5.356 1.00 0.00 H ATOM 864 HD21 LEU B 65 -42.635 11.165 6.162 1.00 0.00 H ATOM 865 HD22 LEU B 65 -44.026 12.038 6.853 1.00 0.00 H ATOM 866 HD23 LEU B 65 -43.860 10.283 7.108 1.00 0.00 H ATOM 867 HD11 LEU B 65 -44.749 9.297 3.625 1.00 0.00 H ATOM 868 HD12 LEU B 65 -43.081 9.493 4.217 1.00 0.00 H ATOM 869 HD13 LEU B 65 -44.301 8.698 5.241 1.00 0.00 H ATOM 870 H LEU B 65 -44.019 13.618 2.133 1.00 0.00 H ATOM 871 N ALA B 66 -47.394 11.289 3.658 1.00 40.65 N ATOM 872 CA ALA B 66 -48.789 11.428 4.001 1.00 45.64 C ATOM 873 C ALA B 66 -49.265 10.180 4.727 1.00 44.55 C ATOM 874 O ALA B 66 -48.709 9.067 4.567 1.00 47.35 O ATOM 875 CB ALA B 66 -49.655 11.684 2.705 1.00 44.64 C ATOM 876 HA ALA B 66 -48.909 12.287 4.661 1.00 0.00 H ATOM 877 HB1 ALA B 66 -49.317 12.599 2.218 1.00 0.00 H ATOM 878 HB2 ALA B 66 -49.540 10.843 2.021 1.00 0.00 H ATOM 879 HB3 ALA B 66 -50.704 11.786 2.985 1.00 0.00 H ATOM 880 H ALA B 66 -46.976 10.337 3.664 1.00 0.00 H ATOM 881 N MET B 67 -50.298 10.344 5.519 1.00 42.96 N ATOM 882 CA MET B 67 -50.848 9.241 6.240 1.00 46.99 C ATOM 883 C MET B 67 -52.308 9.164 5.953 1.00 47.03 C ATOM 884 O MET B 67 -53.019 10.140 6.032 1.00 45.66 O ATOM 885 CB MET B 67 -50.598 9.370 7.744 1.00 42.95 C ATOM 886 CG MET B 67 -50.931 8.095 8.503 1.00 44.07 C ATOM 887 SD MET B 67 -50.745 8.339 10.236 1.00 54.50 S ATOM 888 CE MET B 67 -48.987 8.134 10.449 1.00 40.42 C ATOM 889 HA MET B 67 -50.357 8.324 5.915 1.00 0.00 H ATOM 890 HB2 MET B 67 -49.546 9.608 7.904 1.00 0.00 H ATOM 891 HB3 MET B 67 -51.216 10.180 8.133 1.00 0.00 H ATOM 892 HG2 MET B 67 -50.260 7.299 8.179 1.00 0.00 H ATOM 893 HG3 MET B 67 -51.961 7.809 8.290 1.00 0.00 H ATOM 894 HE1 MET B 67 -48.697 7.135 10.123 1.00 0.00 H ATOM 895 HE2 MET B 67 -48.461 8.879 9.852 1.00 0.00 H ATOM 896 HE3 MET B 67 -48.732 8.263 11.501 1.00 0.00 H ATOM 897 H MET B 67 -50.721 11.288 5.623 1.00 0.00 H ATOM 898 N ASP B 68 -52.740 7.965 5.596 1.00 51.24 N ATOM 899 CA ASP B 68 -54.117 7.754 5.210 1.00 54.18 C ATOM 900 C ASP B 68 -55.002 7.479 6.409 1.00 55.38 C ATOM 901 O ASP B 68 -54.538 7.410 7.526 1.00 53.97 O ATOM 902 CB ASP B 68 -54.228 6.657 4.170 1.00 49.84 C ATOM 903 CG ASP B 68 -54.041 5.273 4.743 1.00 58.01 C ATOM 904 OD1 ASP B 68 -54.074 5.083 5.965 1.00 58.25 O ATOM 905 OD2 ASP B 68 -53.834 4.357 3.944 1.00 60.02 O ATOM 906 HA ASP B 68 -54.476 8.678 4.757 1.00 0.00 H ATOM 907 HB2 ASP B 68 -55.216 6.712 3.712 1.00 0.00 H ATOM 908 HB3 ASP B 68 -53.466 6.823 3.408 1.00 0.00 H ATOM 909 H ASP B 68 -52.079 7.162 5.593 1.00 0.00 H ATOM 910 N THR B 69 -56.287 7.333 6.148 1.00 53.07 N ATOM 911 CA THR B 69 -57.259 7.084 7.179 1.00 57.13 C ATOM 912 C THR B 69 -57.087 5.758 7.919 1.00 58.73 C ATOM 913 O THR B 69 -57.639 5.596 8.974 1.00 61.49 O ATOM 914 CB THR B 69 -58.687 7.182 6.625 1.00 62.52 C ATOM 915 OG1 THR B 69 -58.829 6.293 5.507 1.00 57.80 O ATOM 916 CG2 THR B 69 -58.997 8.632 6.192 1.00 54.32 C ATOM 917 HA THR B 69 -57.082 7.867 7.916 1.00 0.00 H ATOM 918 HB THR B 69 -59.392 6.896 7.406 1.00 0.00 H ATOM 919 HG1 THR B 69 -59.750 6.357 5.151 1.00 0.00 H ATOM 920 HG23 THR B 69 -58.886 9.297 7.048 1.00 0.00 H ATOM 921 HG21 THR B 69 -58.304 8.931 5.406 1.00 0.00 H ATOM 922 HG22 THR B 69 -60.019 8.687 5.817 1.00 0.00 H ATOM 923 H THR B 69 -56.609 7.400 5.161 1.00 0.00 H ATOM 924 N ASP B 70 -56.312 4.819 7.403 1.00 59.18 N ATOM 925 CA ASP B 70 -56.070 3.606 8.169 1.00 59.55 C ATOM 926 C ASP B 70 -54.714 3.650 8.874 1.00 62.46 C ATOM 927 O ASP B 70 -54.278 2.634 9.444 1.00 60.55 O ATOM 928 CB ASP B 70 -56.160 2.361 7.277 1.00 64.08 C ATOM 929 CG ASP B 70 -57.219 2.493 6.218 1.00 69.06 C ATOM 930 OD1 ASP B 70 -58.356 2.837 6.596 1.00 67.84 O ATOM 931 OD2 ASP B 70 -56.914 2.273 5.019 1.00 66.80 O ATOM 932 HA ASP B 70 -56.848 3.546 8.930 1.00 0.00 H ATOM 933 HB2 ASP B 70 -55.196 2.207 6.792 1.00 0.00 H ATOM 934 HB3 ASP B 70 -56.394 1.498 7.901 1.00 0.00 H ATOM 935 H ASP B 70 -55.882 4.946 6.464 1.00 0.00 H ATOM 936 N GLY B 71 -54.049 4.812 8.813 1.00 57.38 N ATOM 937 CA GLY B 71 -52.819 5.067 9.564 1.00 59.26 C ATOM 938 C GLY B 71 -51.537 4.704 8.848 1.00 58.41 C ATOM 939 O GLY B 71 -50.470 4.624 9.418 1.00 58.91 O ATOM 940 HA3 GLY B 71 -52.863 4.491 10.489 1.00 0.00 H ATOM 941 HA2 GLY B 71 -52.783 6.130 9.801 1.00 0.00 H ATOM 942 H GLY B 71 -54.424 5.567 8.204 1.00 0.00 H ATOM 943 N LEU B 72 -51.661 4.487 7.561 1.00 59.54 N ATOM 944 CA LEU B 72 -50.595 3.944 6.772 1.00 56.64 C ATOM 945 C LEU B 72 -49.925 5.068 6.040 1.00 53.10 C ATOM 946 O LEU B 72 -50.581 6.019 5.627 1.00 52.85 O ATOM 947 CB LEU B 72 -51.224 3.003 5.764 1.00 60.91 C ATOM 948 CG LEU B 72 -50.346 2.099 4.951 1.00 66.30 C ATOM 949 CD1 LEU B 72 -50.515 0.715 5.508 1.00 74.86 C ATOM 950 CD2 LEU B 72 -50.828 2.165 3.531 1.00 69.36 C ATOM 951 HA LEU B 72 -49.864 3.423 7.391 1.00 0.00 H ATOM 952 HB2 LEU B 72 -51.915 2.364 6.314 1.00 0.00 H ATOM 953 HB3 LEU B 72 -51.783 3.619 5.060 1.00 0.00 H ATOM 954 HG LEU B 72 -49.294 2.383 4.985 1.00 0.00 H ATOM 955 HD21 LEU B 72 -51.865 1.834 3.485 1.00 0.00 H ATOM 956 HD22 LEU B 72 -50.757 3.192 3.172 1.00 0.00 H ATOM 957 HD23 LEU B 72 -50.210 1.517 2.909 1.00 0.00 H ATOM 958 HD11 LEU B 72 -50.215 0.707 6.556 1.00 0.00 H ATOM 959 HD12 LEU B 72 -51.560 0.417 5.426 1.00 0.00 H ATOM 960 HD13 LEU B 72 -49.892 0.020 4.945 1.00 0.00 H ATOM 961 H LEU B 72 -52.563 4.717 7.097 1.00 0.00 H ATOM 962 N LEU B 73 -48.620 4.955 5.873 1.00 46.74 N ATOM 963 CA LEU B 73 -47.845 6.023 5.269 1.00 44.50 C ATOM 964 C LEU B 73 -47.767 5.742 3.797 1.00 47.56 C ATOM 965 O LEU B 73 -47.670 4.586 3.398 1.00 44.66 O ATOM 966 CB LEU B 73 -46.416 6.099 5.837 1.00 42.84 C ATOM 967 CG LEU B 73 -46.272 6.431 7.330 1.00 44.25 C ATOM 968 CD1 LEU B 73 -44.841 6.180 7.854 1.00 40.39 C ATOM 969 CD2 LEU B 73 -46.741 7.860 7.589 1.00 42.06 C ATOM 970 HA LEU B 73 -48.331 6.975 5.482 1.00 0.00 H ATOM 971 HB2 LEU B 73 -45.944 5.131 5.669 1.00 0.00 H ATOM 972 HB3 LEU B 73 -45.880 6.865 5.277 1.00 0.00 H ATOM 973 HG LEU B 73 -46.912 5.752 7.894 1.00 0.00 H ATOM 974 HD21 LEU B 73 -46.134 8.552 7.005 1.00 0.00 H ATOM 975 HD22 LEU B 73 -47.787 7.956 7.297 1.00 0.00 H ATOM 976 HD23 LEU B 73 -46.636 8.089 8.650 1.00 0.00 H ATOM 977 HD11 LEU B 73 -44.584 5.130 7.716 1.00 0.00 H ATOM 978 HD12 LEU B 73 -44.138 6.803 7.301 1.00 0.00 H ATOM 979 HD13 LEU B 73 -44.794 6.430 8.914 1.00 0.00 H ATOM 980 H LEU B 73 -48.139 4.085 6.180 1.00 0.00 H ATOM 981 N TYR B 74 -47.787 6.804 2.995 1.00 44.87 N ATOM 982 CA TYR B 74 -47.674 6.664 1.549 1.00 45.31 C ATOM 983 C TYR B 74 -47.091 7.951 0.989 1.00 44.54 C ATOM 984 O TYR B 74 -47.062 8.967 1.676 1.00 43.49 O ATOM 985 CB TYR B 74 -49.058 6.359 0.924 1.00 46.19 C ATOM 986 CG TYR B 74 -50.081 7.485 0.992 1.00 47.44 C ATOM 987 CD1 TYR B 74 -50.260 8.355 -0.077 1.00 48.96 C ATOM 988 CD2 TYR B 74 -50.871 7.672 2.128 1.00 50.68 C ATOM 989 CE1 TYR B 74 -51.204 9.392 -0.019 1.00 48.75 C ATOM 990 CE2 TYR B 74 -51.836 8.707 2.189 1.00 51.84 C ATOM 991 CZ TYR B 74 -51.984 9.560 1.109 1.00 52.82 C ATOM 992 OH TYR B 74 -52.907 10.594 1.172 1.00 55.58 O ATOM 993 HA TYR B 74 -47.017 5.830 1.303 1.00 0.00 H ATOM 994 HB3 TYR B 74 -49.476 5.496 1.442 1.00 0.00 H ATOM 995 HB2 TYR B 74 -48.903 6.111 -0.126 1.00 0.00 H ATOM 996 HD2 TYR B 74 -50.743 7.009 2.984 1.00 0.00 H ATOM 997 HE2 TYR B 74 -52.456 8.830 3.077 1.00 0.00 H ATOM 998 HE1 TYR B 74 -51.322 10.067 -0.867 1.00 0.00 H ATOM 999 HD1 TYR B 74 -49.657 8.230 -0.976 1.00 0.00 H ATOM 1000 HH TYR B 74 -53.812 10.219 1.311 1.00 0.00 H ATOM 1001 H TYR B 74 -47.885 7.753 3.409 1.00 0.00 H ATOM 1002 N GLY B 75 -46.636 7.902 -0.256 1.00 44.50 N ATOM 1003 CA GLY B 75 -46.246 9.087 -0.989 1.00 43.62 C ATOM 1004 C GLY B 75 -47.320 9.662 -1.931 1.00 48.73 C ATOM 1005 O GLY B 75 -47.768 9.021 -2.880 1.00 47.50 O ATOM 1006 HA3 GLY B 75 -45.370 8.839 -1.588 1.00 0.00 H ATOM 1007 HA2 GLY B 75 -45.984 9.859 -0.266 1.00 0.00 H ATOM 1008 H GLY B 75 -46.557 6.976 -0.723 1.00 0.00 H ATOM 1009 N SER B 76 -47.663 10.922 -1.692 1.00 47.16 N ATOM 1010 CA SER B 76 -48.669 11.608 -2.464 1.00 49.28 C ATOM 1011 C SER B 76 -47.971 12.488 -3.475 1.00 52.60 C ATOM 1012 O SER B 76 -46.979 13.162 -3.153 1.00 50.33 O ATOM 1013 CB SER B 76 -49.554 12.451 -1.522 1.00 52.65 C ATOM 1014 OG SER B 76 -50.532 13.167 -2.228 1.00 53.80 O ATOM 1015 HA SER B 76 -49.309 10.895 -2.985 1.00 0.00 H ATOM 1016 HB2 SER B 76 -48.922 13.156 -0.981 1.00 0.00 H ATOM 1017 HB3 SER B 76 -50.047 11.787 -0.812 1.00 0.00 H ATOM 1018 HG SER B 76 -50.092 13.778 -2.871 1.00 0.00 H ATOM 1019 H SER B 76 -47.189 11.433 -0.920 1.00 0.00 H ATOM 1020 N GLN B 77 -48.506 12.505 -4.697 1.00 54.14 N ATOM 1021 CA GLN B 77 -47.919 13.290 -5.767 1.00 54.37 C ATOM 1022 C GLN B 77 -48.348 14.732 -5.530 1.00 53.69 C ATOM 1023 O GLN B 77 -47.691 15.678 -5.946 1.00 53.38 O ATOM 1024 CB GLN B 77 -48.337 12.747 -7.155 1.00 53.83 C ATOM 1025 CG GLN B 77 -47.727 11.365 -7.489 1.00 52.90 C ATOM 1026 CD GLN B 77 -47.802 10.972 -8.991 1.00 55.09 C ATOM 1027 OE1 GLN B 77 -48.878 10.714 -9.536 1.00 57.46 O ATOM 1028 NE2 GLN B 77 -46.654 10.911 -9.640 1.00 55.09 N ATOM 1029 HA GLN B 77 -46.831 13.227 -5.763 1.00 0.00 H ATOM 1030 HB2 GLN B 77 -49.423 12.659 -7.178 1.00 0.00 H ATOM 1031 HB3 GLN B 77 -48.015 13.459 -7.915 1.00 0.00 H ATOM 1032 HG2 GLN B 77 -46.678 11.375 -7.192 1.00 0.00 H ATOM 1033 HG3 GLN B 77 -48.260 10.609 -6.912 1.00 0.00 H ATOM 1034 HE22 GLN B 77 -45.766 11.136 -9.148 1.00 0.00 H ATOM 1035 HE21 GLN B 77 -46.638 10.638 -10.644 1.00 0.00 H ATOM 1036 H GLN B 77 -49.361 11.944 -4.887 1.00 0.00 H ATOM 1037 N THR B 78 -49.435 14.884 -4.788 1.00 52.81 N ATOM 1038 CA THR B 78 -50.020 16.191 -4.525 1.00 56.90 C ATOM 1039 C THR B 78 -50.147 16.488 -3.019 1.00 56.49 C ATOM 1040 O THR B 78 -50.448 15.609 -2.221 1.00 56.08 O ATOM 1041 CB THR B 78 -51.405 16.293 -5.224 1.00 62.13 C ATOM 1042 OG1 THR B 78 -51.222 16.318 -6.661 1.00 61.78 O ATOM 1043 CG2 THR B 78 -52.164 17.563 -4.774 1.00 62.93 C ATOM 1044 HA THR B 78 -49.347 16.944 -4.934 1.00 0.00 H ATOM 1045 HB THR B 78 -51.998 15.423 -4.941 1.00 0.00 H ATOM 1046 HG1 THR B 78 -52.105 16.383 -7.104 1.00 0.00 H ATOM 1047 HG23 THR B 78 -52.299 17.540 -3.693 1.00 0.00 H ATOM 1048 HG21 THR B 78 -51.588 18.446 -5.051 1.00 0.00 H ATOM 1049 HG22 THR B 78 -53.138 17.595 -5.263 1.00 0.00 H ATOM 1050 H THR B 78 -49.886 14.041 -4.379 1.00 0.00 H ATOM 1051 N PRO B 79 -49.903 17.736 -2.630 1.00 56.33 N ATOM 1052 CA PRO B 79 -50.075 18.169 -1.247 1.00 57.86 C ATOM 1053 C PRO B 79 -51.528 18.223 -0.825 1.00 60.55 C ATOM 1054 O PRO B 79 -52.182 19.231 -1.075 1.00 68.59 O ATOM 1055 CB PRO B 79 -49.510 19.593 -1.260 1.00 59.61 C ATOM 1056 CG PRO B 79 -49.577 20.020 -2.725 1.00 59.09 C ATOM 1057 CD PRO B 79 -49.272 18.771 -3.465 1.00 57.60 C ATOM 1058 HA PRO B 79 -49.590 17.483 -0.552 1.00 0.00 H ATOM 1059 HD3 PRO B 79 -49.708 18.790 -4.464 1.00 0.00 H ATOM 1060 HD2 PRO B 79 -48.196 18.612 -3.542 1.00 0.00 H ATOM 1061 HG3 PRO B 79 -48.837 20.791 -2.940 1.00 0.00 H ATOM 1062 HG2 PRO B 79 -50.570 20.390 -2.978 1.00 0.00 H ATOM 1063 HB2 PRO B 79 -50.115 20.253 -0.638 1.00 0.00 H ATOM 1064 HB3 PRO B 79 -48.480 19.602 -0.903 1.00 0.00 H ATOM 1065 N ASN B 80 -52.040 17.175 -0.193 1.00 59.12 N ATOM 1066 CA ASN B 80 -53.367 17.247 0.402 1.00 56.40 C ATOM 1067 C ASN B 80 -53.251 17.469 1.897 1.00 56.33 C ATOM 1068 O ASN B 80 -52.155 17.727 2.408 1.00 57.02 O ATOM 1069 CB ASN B 80 -54.164 15.977 0.098 1.00 58.38 C ATOM 1070 CG ASN B 80 -53.451 14.733 0.514 1.00 58.68 C ATOM 1071 OD1 ASN B 80 -53.140 14.531 1.691 1.00 61.02 O ATOM 1072 ND2 ASN B 80 -53.184 13.881 -0.442 1.00 56.33 N ATOM 1073 HA ASN B 80 -53.904 18.090 -0.034 1.00 0.00 H ATOM 1074 HB2 ASN B 80 -55.115 16.027 0.628 1.00 0.00 H ATOM 1075 HB3 ASN B 80 -54.349 15.930 -0.975 1.00 0.00 H ATOM 1076 HD22 ASN B 80 -53.465 14.093 -1.421 1.00 0.00 H ATOM 1077 HD21 ASN B 80 -52.691 12.992 -0.223 1.00 0.00 H ATOM 1078 H ASN B 80 -51.490 16.295 -0.122 1.00 0.00 H ATOM 1079 N GLU B 81 -54.366 17.349 2.610 1.00 56.84 N ATOM 1080 CA GLU B 81 -54.404 17.617 4.050 1.00 56.23 C ATOM 1081 C GLU B 81 -53.849 16.458 4.888 1.00 54.87 C ATOM 1082 O GLU B 81 -53.411 16.662 6.014 1.00 51.29 O ATOM 1083 CB GLU B 81 -55.811 17.986 4.518 1.00 61.01 C ATOM 1084 CG GLU B 81 -55.840 19.012 5.665 1.00 69.26 C ATOM 1085 CD GLU B 81 -55.803 20.494 5.193 1.00 78.47 C ATOM 1086 OE1 GLU B 81 -54.781 20.929 4.580 1.00 73.44 O ATOM 1087 OE2 GLU B 81 -56.808 21.220 5.451 1.00 78.93 O ATOM 1088 HA GLU B 81 -53.749 18.473 4.210 1.00 0.00 H ATOM 1089 HB2 GLU B 81 -56.356 18.403 3.671 1.00 0.00 H ATOM 1090 HB3 GLU B 81 -56.309 17.078 4.857 1.00 0.00 H ATOM 1091 HG2 GLU B 81 -56.754 18.858 6.239 1.00 0.00 H ATOM 1092 HG3 GLU B 81 -54.976 18.835 6.305 1.00 0.00 H ATOM 1093 H GLU B 81 -55.241 17.055 2.130 1.00 0.00 H ATOM 1094 N GLU B 82 -53.866 15.256 4.320 1.00 52.22 N ATOM 1095 CA GLU B 82 -53.214 14.094 4.906 1.00 49.40 C ATOM 1096 C GLU B 82 -51.674 14.181 4.866 1.00 47.89 C ATOM 1097 O GLU B 82 -51.002 13.230 5.233 1.00 42.72 O ATOM 1098 CB GLU B 82 -53.631 12.821 4.153 1.00 52.06 C ATOM 1099 CG GLU B 82 -55.134 12.595 4.076 1.00 58.53 C ATOM 1100 CD GLU B 82 -55.513 11.143 3.788 1.00 58.20 C ATOM 1101 OE1 GLU B 82 -56.647 10.723 4.158 1.00 59.86 O ATOM 1102 OE2 GLU B 82 -54.674 10.435 3.195 1.00 58.15 O ATOM 1103 HA GLU B 82 -53.530 14.064 5.949 1.00 0.00 H ATOM 1104 HB2 GLU B 82 -53.244 12.885 3.136 1.00 0.00 H ATOM 1105 HB3 GLU B 82 -53.183 11.965 4.658 1.00 0.00 H ATOM 1106 HG2 GLU B 82 -55.577 12.886 5.028 1.00 0.00 H ATOM 1107 HG3 GLU B 82 -55.538 13.222 3.282 1.00 0.00 H ATOM 1108 H GLU B 82 -54.368 15.141 3.416 1.00 0.00 H ATOM 1109 N CYS B 83 -51.132 15.307 4.405 1.00 48.18 N ATOM 1110 CA CYS B 83 -49.689 15.480 4.177 1.00 48.33 C ATOM 1111 C CYS B 83 -49.045 16.393 5.227 1.00 49.48 C ATOM 1112 O CYS B 83 -47.829 16.611 5.237 1.00 46.26 O ATOM 1113 CB CYS B 83 -49.453 16.106 2.809 1.00 47.36 C ATOM 1114 SG CYS B 83 -49.622 15.004 1.419 1.00 49.74 S ATOM 1115 HA CYS B 83 -49.237 14.490 4.242 1.00 0.00 H ATOM 1116 HB2 CYS B 83 -48.441 16.511 2.795 1.00 0.00 H ATOM 1117 HB3 CYS B 83 -50.170 16.918 2.683 1.00 0.00 H ATOM 1118 HG CYS B 83 -50.902 14.489 1.396 1.00 0.00 H ATOM 1119 H CYS B 83 -51.763 16.107 4.195 1.00 0.00 H ATOM 1120 N LEU B 84 -49.856 16.923 6.120 1.00 50.32 N ATOM 1121 CA LEU B 84 -49.353 17.746 7.184 1.00 49.32 C ATOM 1122 C LEU B 84 -49.061 16.938 8.425 1.00 48.17 C ATOM 1123 O LEU B 84 -49.813 16.046 8.797 1.00 48.01 O ATOM 1124 CB LEU B 84 -50.361 18.816 7.473 1.00 53.03 C ATOM 1125 CG LEU B 84 -50.354 19.912 6.427 1.00 55.06 C ATOM 1126 CD1 LEU B 84 -51.459 20.873 6.741 1.00 62.17 C ATOM 1127 CD2 LEU B 84 -49.068 20.639 6.466 1.00 57.65 C ATOM 1128 HA LEU B 84 -48.410 18.194 6.872 1.00 0.00 H ATOM 1129 HB2 LEU B 84 -51.353 18.365 7.501 1.00 0.00 H ATOM 1130 HB3 LEU B 84 -50.136 19.257 8.444 1.00 0.00 H ATOM 1131 HG LEU B 84 -50.490 19.474 5.438 1.00 0.00 H ATOM 1132 HD21 LEU B 84 -48.933 21.083 7.452 1.00 0.00 H ATOM 1133 HD22 LEU B 84 -48.253 19.944 6.264 1.00 0.00 H ATOM 1134 HD23 LEU B 84 -49.073 21.425 5.710 1.00 0.00 H ATOM 1135 HD11 LEU B 84 -52.413 20.346 6.723 1.00 0.00 H ATOM 1136 HD12 LEU B 84 -51.297 21.300 7.731 1.00 0.00 H ATOM 1137 HD13 LEU B 84 -51.468 21.669 5.997 1.00 0.00 H ATOM 1138 H LEU B 84 -50.878 16.742 6.053 1.00 0.00 H ATOM 1139 N PHE B 85 -47.951 17.255 9.063 1.00 48.11 N ATOM 1140 CA PHE B 85 -47.563 16.569 10.252 1.00 44.58 C ATOM 1141 C PHE B 85 -47.172 17.627 11.240 1.00 44.80 C ATOM 1142 O PHE B 85 -46.708 18.674 10.876 1.00 46.26 O ATOM 1143 CB PHE B 85 -46.390 15.694 9.932 1.00 42.74 C ATOM 1144 CG PHE B 85 -46.695 14.601 8.979 1.00 42.73 C ATOM 1145 CD1 PHE B 85 -47.149 13.394 9.442 1.00 40.71 C ATOM 1146 CD2 PHE B 85 -46.520 14.772 7.633 1.00 40.58 C ATOM 1147 CE1 PHE B 85 -47.413 12.409 8.588 1.00 40.27 C ATOM 1148 CE2 PHE B 85 -46.802 13.776 6.790 1.00 42.68 C ATOM 1149 CZ PHE B 85 -47.242 12.588 7.268 1.00 39.65 C ATOM 1150 HA PHE B 85 -48.362 15.946 10.654 1.00 0.00 H ATOM 1151 HB2 PHE B 85 -45.606 16.316 9.501 1.00 0.00 H ATOM 1152 HB3 PHE B 85 -46.030 15.249 10.860 1.00 0.00 H ATOM 1153 HD2 PHE B 85 -46.150 15.722 7.248 1.00 0.00 H ATOM 1154 HE2 PHE B 85 -46.678 13.919 5.717 1.00 0.00 H ATOM 1155 HZ PHE B 85 -47.459 11.773 6.578 1.00 0.00 H ATOM 1156 HE1 PHE B 85 -47.771 11.450 8.962 1.00 0.00 H ATOM 1157 HD1 PHE B 85 -47.294 13.241 10.511 1.00 0.00 H ATOM 1158 H PHE B 85 -47.349 18.018 8.693 1.00 0.00 H ATOM 1159 N LEU B 86 -47.363 17.347 12.512 1.00 46.17 N ATOM 1160 CA LEU B 86 -46.895 18.247 13.554 1.00 50.26 C ATOM 1161 C LEU B 86 -45.605 17.764 14.116 1.00 46.49 C ATOM 1162 O LEU B 86 -45.502 16.655 14.589 1.00 43.12 O ATOM 1163 CB LEU B 86 -47.914 18.392 14.671 1.00 46.62 C ATOM 1164 CG LEU B 86 -49.351 18.529 14.219 1.00 51.73 C ATOM 1165 CD1 LEU B 86 -50.214 18.351 15.423 1.00 54.26 C ATOM 1166 CD2 LEU B 86 -49.566 19.867 13.576 1.00 50.74 C ATOM 1167 HA LEU B 86 -46.750 19.226 13.096 1.00 0.00 H ATOM 1168 HB2 LEU B 86 -47.843 17.511 15.309 1.00 0.00 H ATOM 1169 HB3 LEU B 86 -47.656 19.279 15.250 1.00 0.00 H ATOM 1170 HG LEU B 86 -49.603 17.776 13.472 1.00 0.00 H ATOM 1171 HD21 LEU B 86 -49.341 20.655 14.295 1.00 0.00 H ATOM 1172 HD22 LEU B 86 -48.909 19.963 12.712 1.00 0.00 H ATOM 1173 HD23 LEU B 86 -50.604 19.952 13.255 1.00 0.00 H ATOM 1174 HD11 LEU B 86 -50.039 17.364 15.851 1.00 0.00 H ATOM 1175 HD12 LEU B 86 -49.970 19.116 16.160 1.00 0.00 H ATOM 1176 HD13 LEU B 86 -51.261 18.444 15.135 1.00 0.00 H ATOM 1177 H LEU B 86 -47.856 16.470 12.775 1.00 0.00 H ATOM 1178 N GLU B 87 -44.627 18.645 14.062 1.00 47.94 N ATOM 1179 CA GLU B 87 -43.283 18.352 14.492 1.00 51.91 C ATOM 1180 C GLU B 87 -43.046 18.659 15.963 1.00 54.28 C ATOM 1181 O GLU B 87 -43.688 19.516 16.531 1.00 54.88 O ATOM 1182 CB GLU B 87 -42.314 19.138 13.635 1.00 53.02 C ATOM 1183 CG GLU B 87 -40.899 18.743 13.862 1.00 56.01 C ATOM 1184 CD GLU B 87 -39.978 19.519 13.017 1.00 63.63 C ATOM 1185 OE1 GLU B 87 -40.173 20.736 12.916 1.00 69.53 O ATOM 1186 OE2 GLU B 87 -39.061 18.912 12.448 1.00 66.90 O ATOM 1187 HA GLU B 87 -43.125 17.280 14.373 1.00 0.00 H ATOM 1188 HB2 GLU B 87 -42.560 18.970 12.586 1.00 0.00 H ATOM 1189 HB3 GLU B 87 -42.422 20.197 13.867 1.00 0.00 H ATOM 1190 HG2 GLU B 87 -40.647 18.913 14.909 1.00 0.00 H ATOM 1191 HG3 GLU B 87 -40.785 17.684 13.630 1.00 0.00 H ATOM 1192 H GLU B 87 -44.834 19.595 13.692 1.00 0.00 H ATOM 1193 N ARG B 88 -42.109 17.958 16.565 1.00 54.36 N ATOM 1194 CA ARG B 88 -41.865 18.111 17.977 1.00 56.85 C ATOM 1195 C ARG B 88 -40.537 17.536 18.456 1.00 57.53 C ATOM 1196 O ARG B 88 -40.112 16.514 17.986 1.00 55.55 O ATOM 1197 CB ARG B 88 -42.981 17.434 18.731 1.00 57.66 C ATOM 1198 CG ARG B 88 -43.009 17.813 20.176 1.00 66.93 C ATOM 1199 CD ARG B 88 -42.984 16.619 21.052 1.00 73.47 C ATOM 1200 NE ARG B 88 -44.335 16.160 21.308 1.00 79.06 N ATOM 1201 CZ ARG B 88 -44.655 14.904 21.578 1.00 80.04 C ATOM 1202 NH1 ARG B 88 -43.728 13.961 21.644 1.00 77.29 N ATOM 1203 NH2 ARG B 88 -45.911 14.598 21.785 1.00 82.22 N ATOM 1204 HA ARG B 88 -41.821 19.183 18.167 1.00 0.00 H ATOM 1205 HB2 ARG B 88 -43.931 17.716 18.277 1.00 0.00 H ATOM 1206 HB3 ARG B 88 -42.850 16.355 18.655 1.00 0.00 H ATOM 1207 HG2 ARG B 88 -42.140 18.433 20.397 1.00 0.00 H ATOM 1208 HG3 ARG B 88 -43.918 18.380 20.376 1.00 0.00 H ATOM 1209 HD2 ARG B 88 -42.505 16.875 21.997 1.00 0.00 H ATOM 1210 HD3 ARG B 88 -42.420 15.825 20.563 1.00 0.00 H ATOM 1211 HE ARG B 88 -45.102 16.862 21.278 1.00 0.00 H ATOM 1212 HH12 ARG B 88 -43.999 12.980 21.857 1.00 0.00 H ATOM 1213 HH11 ARG B 88 -42.729 14.201 21.482 1.00 0.00 H ATOM 1214 HH22 ARG B 88 -46.179 13.616 21.998 1.00 0.00 H ATOM 1215 HH21 ARG B 88 -46.641 15.337 21.736 1.00 0.00 H ATOM 1216 H ARG B 88 -41.538 17.285 16.015 1.00 0.00 H ATOM 1217 N LEU B 89 -39.896 18.177 19.421 1.00 63.26 N ATOM 1218 CA LEU B 89 -38.688 17.643 20.033 1.00 59.62 C ATOM 1219 C LEU B 89 -38.946 16.779 21.248 1.00 60.01 C ATOM 1220 O LEU B 89 -39.496 17.219 22.199 1.00 63.08 O ATOM 1221 CB LEU B 89 -37.838 18.791 20.494 1.00 63.26 C ATOM 1222 CG LEU B 89 -37.034 19.486 19.441 1.00 68.18 C ATOM 1223 CD1 LEU B 89 -36.279 20.581 20.136 1.00 66.81 C ATOM 1224 CD2 LEU B 89 -36.071 18.476 18.822 1.00 68.58 C ATOM 1225 HA LEU B 89 -38.210 17.025 19.273 1.00 0.00 H ATOM 1226 HB2 LEU B 89 -38.497 19.530 20.951 1.00 0.00 H ATOM 1227 HB3 LEU B 89 -37.145 18.411 21.244 1.00 0.00 H ATOM 1228 HG LEU B 89 -37.656 19.899 18.647 1.00 0.00 H ATOM 1229 HD21 LEU B 89 -35.412 18.083 19.596 1.00 0.00 H ATOM 1230 HD22 LEU B 89 -36.639 17.659 18.378 1.00 0.00 H ATOM 1231 HD23 LEU B 89 -35.477 18.967 18.052 1.00 0.00 H ATOM 1232 HD11 LEU B 89 -36.985 21.267 20.604 1.00 0.00 H ATOM 1233 HD12 LEU B 89 -35.632 20.147 20.898 1.00 0.00 H ATOM 1234 HD13 LEU B 89 -35.674 21.122 19.408 1.00 0.00 H ATOM 1235 H LEU B 89 -40.267 19.090 19.752 1.00 0.00 H ATOM 1236 N GLU B 90 -38.484 15.555 21.226 1.00 62.27 N ATOM 1237 CA GLU B 90 -38.678 14.638 22.310 1.00 61.64 C ATOM 1238 C GLU B 90 -37.622 14.925 23.344 1.00 62.45 C ATOM 1239 O GLU B 90 -36.691 15.627 23.062 1.00 61.99 O ATOM 1240 CB GLU B 90 -38.497 13.239 21.752 1.00 61.81 C ATOM 1241 CG GLU B 90 -38.779 12.136 22.710 1.00 70.09 C ATOM 1242 CD GLU B 90 -37.539 11.456 23.162 1.00 72.55 C ATOM 1243 OE1 GLU B 90 -36.436 11.906 22.759 1.00 72.25 O ATOM 1244 OE2 GLU B 90 -37.675 10.474 23.910 1.00 76.75 O ATOM 1245 HA GLU B 90 -39.665 14.733 22.762 1.00 0.00 H ATOM 1246 HB2 GLU B 90 -39.167 13.126 20.900 1.00 0.00 H ATOM 1247 HB3 GLU B 90 -37.465 13.140 21.417 1.00 0.00 H ATOM 1248 HG2 GLU B 90 -39.291 12.548 23.580 1.00 0.00 H ATOM 1249 HG3 GLU B 90 -39.424 11.404 22.223 1.00 0.00 H ATOM 1250 H GLU B 90 -37.955 15.235 20.389 1.00 0.00 H ATOM 1251 N GLU B 91 -37.739 14.384 24.548 1.00 65.98 N ATOM 1252 CA GLU B 91 -36.704 14.571 25.564 1.00 68.08 C ATOM 1253 C GLU B 91 -35.508 13.841 25.072 1.00 70.34 C ATOM 1254 O GLU B 91 -35.530 12.626 25.044 1.00 75.04 O ATOM 1255 CB GLU B 91 -37.139 13.972 26.900 1.00 71.51 C ATOM 1256 CG GLU B 91 -36.011 13.666 27.903 1.00 78.93 C ATOM 1257 CD GLU B 91 -35.574 14.885 28.759 1.00 82.14 C ATOM 1258 OE1 GLU B 91 -34.673 14.721 29.609 1.00 76.86 O ATOM 1259 OE2 GLU B 91 -36.128 15.995 28.593 1.00 78.27 O ATOM 1260 HA GLU B 91 -36.508 15.631 25.723 1.00 0.00 H ATOM 1261 HB2 GLU B 91 -37.825 14.675 27.373 1.00 0.00 H ATOM 1262 HB3 GLU B 91 -37.663 13.039 26.692 1.00 0.00 H ATOM 1263 HG2 GLU B 91 -36.355 12.881 28.576 1.00 0.00 H ATOM 1264 HG3 GLU B 91 -35.144 13.311 27.346 1.00 0.00 H ATOM 1265 H GLU B 91 -38.581 13.817 24.774 1.00 0.00 H ATOM 1266 N ASN B 92 -34.473 14.555 24.659 1.00 68.42 N ATOM 1267 CA ASN B 92 -33.329 13.908 24.013 1.00 65.00 C ATOM 1268 C ASN B 92 -33.092 14.415 22.615 1.00 58.33 C ATOM 1269 O ASN B 92 -32.229 13.953 21.921 1.00 56.86 O ATOM 1270 CB ASN B 92 -33.536 12.412 23.963 1.00 68.46 C ATOM 1271 CG ASN B 92 -32.257 11.666 23.695 1.00 77.68 C ATOM 1272 OD1 ASN B 92 -31.161 12.133 24.022 1.00 78.28 O ATOM 1273 ND2 ASN B 92 -32.384 10.492 23.090 1.00 78.45 N ATOM 1274 HA ASN B 92 -32.452 14.152 24.613 1.00 0.00 H ATOM 1275 HB2 ASN B 92 -33.941 12.082 24.920 1.00 0.00 H ATOM 1276 HB3 ASN B 92 -34.248 12.183 23.170 1.00 0.00 H ATOM 1277 HD22 ASN B 92 -33.328 10.139 22.833 1.00 0.00 H ATOM 1278 HD21 ASN B 92 -31.540 9.925 22.873 1.00 0.00 H ATOM 1279 H ASN B 92 -34.472 15.586 24.795 1.00 0.00 H ATOM 1280 N HIS B 93 -33.919 15.361 22.227 1.00 55.40 N ATOM 1281 CA HIS B 93 -33.781 16.150 21.039 1.00 53.87 C ATOM 1282 C HIS B 93 -33.832 15.411 19.723 1.00 52.29 C ATOM 1283 O HIS B 93 -33.255 15.842 18.757 1.00 49.61 O ATOM 1284 CB HIS B 93 -32.549 17.003 21.132 1.00 54.41 C ATOM 1285 CG HIS B 93 -32.644 18.054 22.172 1.00 57.19 C ATOM 1286 ND1 HIS B 93 -32.768 19.389 21.862 1.00 57.38 N ATOM 1287 CD2 HIS B 93 -32.620 17.977 23.519 1.00 53.69 C ATOM 1288 CE1 HIS B 93 -32.817 20.090 22.975 1.00 55.52 C ATOM 1289 NE2 HIS B 93 -32.714 19.261 23.993 1.00 54.16 N ATOM 1290 HA HIS B 93 -34.681 16.765 21.013 1.00 0.00 H ATOM 1291 HB2 HIS B 93 -31.699 16.361 21.364 1.00 0.00 H ATOM 1292 HB3 HIS B 93 -32.386 17.484 20.167 1.00 0.00 H ATOM 1293 HD2 HIS B 93 -32.541 17.069 24.116 1.00 0.00 H ATOM 1294 HE1 HIS B 93 -32.925 21.173 23.043 1.00 0.00 H ATOM 1295 H HIS B 93 -34.742 15.552 22.833 1.00 0.00 H ATOM 1296 N TYR B 94 -34.542 14.305 19.701 1.00 47.97 N ATOM 1297 CA TYR B 94 -34.973 13.695 18.450 1.00 51.10 C ATOM 1298 C TYR B 94 -36.224 14.411 17.977 1.00 50.57 C ATOM 1299 O TYR B 94 -36.907 15.049 18.771 1.00 54.13 O ATOM 1300 CB TYR B 94 -35.271 12.215 18.650 1.00 50.45 C ATOM 1301 CG TYR B 94 -34.037 11.419 18.877 1.00 51.76 C ATOM 1302 CD1 TYR B 94 -33.424 10.780 17.835 1.00 52.66 C ATOM 1303 CD2 TYR B 94 -33.457 11.330 20.143 1.00 57.66 C ATOM 1304 CE1 TYR B 94 -32.266 10.054 18.025 1.00 59.16 C ATOM 1305 CE2 TYR B 94 -32.277 10.594 20.345 1.00 61.00 C ATOM 1306 CZ TYR B 94 -31.695 9.970 19.268 1.00 61.17 C ATOM 1307 OH TYR B 94 -30.558 9.228 19.416 1.00 66.93 O ATOM 1308 HA TYR B 94 -34.180 13.784 17.708 1.00 0.00 H ATOM 1309 HB3 TYR B 94 -35.776 11.835 17.762 1.00 0.00 H ATOM 1310 HB2 TYR B 94 -35.926 12.102 19.514 1.00 0.00 H ATOM 1311 HD2 TYR B 94 -33.925 11.838 20.986 1.00 0.00 H ATOM 1312 HE2 TYR B 94 -31.832 10.520 21.337 1.00 0.00 H ATOM 1313 HE1 TYR B 94 -31.802 9.544 17.181 1.00 0.00 H ATOM 1314 HD1 TYR B 94 -33.858 10.845 16.837 1.00 0.00 H ATOM 1315 HH TYR B 94 -30.289 8.859 18.537 1.00 0.00 H ATOM 1316 H TYR B 94 -34.803 13.853 20.601 1.00 0.00 H ATOM 1317 N ASN B 95 -36.520 14.317 16.688 1.00 47.09 N ATOM 1318 CA ASN B 95 -37.812 14.744 16.172 1.00 46.29 C ATOM 1319 C ASN B 95 -38.818 13.613 16.093 1.00 49.29 C ATOM 1320 O ASN B 95 -38.453 12.452 15.824 1.00 48.60 O ATOM 1321 CB ASN B 95 -37.661 15.392 14.811 1.00 49.58 C ATOM 1322 CG ASN B 95 -37.034 16.758 14.913 1.00 54.23 C ATOM 1323 OD1 ASN B 95 -37.174 17.424 15.947 1.00 60.27 O ATOM 1324 ND2 ASN B 95 -36.324 17.178 13.878 1.00 55.13 N ATOM 1325 HA ASN B 95 -38.198 15.474 16.883 1.00 0.00 H ATOM 1326 HB2 ASN B 95 -37.031 14.759 14.186 1.00 0.00 H ATOM 1327 HB3 ASN B 95 -38.646 15.488 14.353 1.00 0.00 H ATOM 1328 HD22 ASN B 95 -36.236 16.581 13.031 1.00 0.00 H ATOM 1329 HD21 ASN B 95 -35.854 18.105 13.912 1.00 0.00 H ATOM 1330 H ASN B 95 -35.813 13.929 16.031 1.00 0.00 H ATOM 1331 N THR B 96 -40.083 13.964 16.355 1.00 48.23 N ATOM 1332 CA THR B 96 -41.246 13.101 16.107 1.00 44.35 C ATOM 1333 C THR B 96 -42.249 13.874 15.288 1.00 44.75 C ATOM 1334 O THR B 96 -42.307 15.136 15.338 1.00 44.97 O ATOM 1335 CB THR B 96 -41.943 12.659 17.394 1.00 46.32 C ATOM 1336 OG1 THR B 96 -42.421 13.810 18.097 1.00 47.74 O ATOM 1337 CG2 THR B 96 -40.978 11.881 18.275 1.00 47.72 C ATOM 1338 HA THR B 96 -40.884 12.210 15.593 1.00 0.00 H ATOM 1339 HB THR B 96 -42.783 12.013 17.140 1.00 0.00 H ATOM 1340 HG1 THR B 96 -43.063 14.301 17.525 1.00 0.00 H ATOM 1341 HG23 THR B 96 -40.618 11.006 17.733 1.00 0.00 H ATOM 1342 HG21 THR B 96 -40.134 12.519 18.539 1.00 0.00 H ATOM 1343 HG22 THR B 96 -41.492 11.562 19.182 1.00 0.00 H ATOM 1344 H THR B 96 -40.253 14.907 16.760 1.00 0.00 H ATOM 1345 N TYR B 97 -43.048 13.122 14.537 1.00 42.25 N ATOM 1346 CA TYR B 97 -43.978 13.686 13.568 1.00 41.73 C ATOM 1347 C TYR B 97 -45.328 13.033 13.756 1.00 42.75 C ATOM 1348 O TYR B 97 -45.468 11.782 13.778 1.00 41.91 O ATOM 1349 CB TYR B 97 -43.479 13.495 12.126 1.00 37.47 C ATOM 1350 CG TYR B 97 -42.178 14.219 11.893 1.00 43.49 C ATOM 1351 CD1 TYR B 97 -42.167 15.586 11.598 1.00 44.54 C ATOM 1352 CD2 TYR B 97 -40.958 13.556 12.020 1.00 44.08 C ATOM 1353 CE1 TYR B 97 -40.959 16.267 11.412 1.00 45.78 C ATOM 1354 CE2 TYR B 97 -39.751 14.221 11.837 1.00 45.84 C ATOM 1355 CZ TYR B 97 -39.754 15.577 11.533 1.00 48.76 C ATOM 1356 OH TYR B 97 -38.558 16.262 11.358 1.00 53.21 O ATOM 1357 HA TYR B 97 -44.057 14.760 13.737 1.00 0.00 H ATOM 1358 HB3 TYR B 97 -44.229 13.883 11.437 1.00 0.00 H ATOM 1359 HB2 TYR B 97 -43.331 12.431 11.940 1.00 0.00 H ATOM 1360 HD2 TYR B 97 -40.950 12.495 12.268 1.00 0.00 H ATOM 1361 HE2 TYR B 97 -38.808 13.682 11.931 1.00 0.00 H ATOM 1362 HE1 TYR B 97 -40.960 17.331 11.174 1.00 0.00 H ATOM 1363 HD1 TYR B 97 -43.110 16.127 11.512 1.00 0.00 H ATOM 1364 HH TYR B 97 -38.750 17.210 11.149 1.00 0.00 H ATOM 1365 H TYR B 97 -43.007 12.089 14.646 1.00 0.00 H ATOM 1366 N ILE B 98 -46.324 13.883 13.924 1.00 41.16 N ATOM 1367 CA ILE B 98 -47.656 13.377 14.181 1.00 46.13 C ATOM 1368 C ILE B 98 -48.508 13.770 13.022 1.00 43.62 C ATOM 1369 O ILE B 98 -48.360 14.891 12.504 1.00 42.19 O ATOM 1370 CB ILE B 98 -48.220 13.947 15.496 1.00 48.46 C ATOM 1371 CG1 ILE B 98 -48.832 12.826 16.300 1.00 53.91 C ATOM 1372 CG2 ILE B 98 -49.214 15.053 15.249 1.00 51.12 C ATOM 1373 CD1 ILE B 98 -47.795 11.755 16.618 1.00 54.23 C ATOM 1374 HA ILE B 98 -47.637 12.293 14.292 1.00 0.00 H ATOM 1375 HB ILE B 98 -47.402 14.391 16.064 1.00 0.00 H ATOM 1376 HG12 ILE B 98 -49.226 13.229 17.233 1.00 0.00 H ATOM 1377 HG13 ILE B 98 -49.644 12.378 15.727 1.00 0.00 H ATOM 1378 HD11 ILE B 98 -47.401 11.345 15.688 1.00 0.00 H ATOM 1379 HD12 ILE B 98 -46.983 12.197 17.195 1.00 0.00 H ATOM 1380 HD13 ILE B 98 -48.262 10.959 17.198 1.00 0.00 H ATOM 1381 HG21 ILE B 98 -48.727 15.863 14.706 1.00 0.00 H ATOM 1382 HG22 ILE B 98 -50.046 14.667 14.659 1.00 0.00 H ATOM 1383 HG23 ILE B 98 -49.586 15.425 16.204 1.00 0.00 H ATOM 1384 H ILE B 98 -46.153 14.908 13.872 1.00 0.00 H ATOM 1385 N SER B 99 -49.384 12.876 12.596 1.00 43.36 N ATOM 1386 CA SER B 99 -50.439 13.235 11.666 1.00 47.21 C ATOM 1387 C SER B 99 -51.325 14.359 12.173 1.00 46.42 C ATOM 1388 O SER B 99 -51.944 14.236 13.186 1.00 45.16 O ATOM 1389 CB SER B 99 -51.301 12.016 11.391 1.00 47.95 C ATOM 1390 OG SER B 99 -52.372 12.397 10.571 1.00 51.05 O ATOM 1391 HA SER B 99 -49.953 13.590 10.757 1.00 0.00 H ATOM 1392 HB2 SER B 99 -51.682 11.617 12.331 1.00 0.00 H ATOM 1393 HB3 SER B 99 -50.707 11.253 10.888 1.00 0.00 H ATOM 1394 HG SER B 99 -52.941 11.608 10.386 1.00 0.00 H ATOM 1395 H SER B 99 -49.316 11.895 12.934 1.00 0.00 H ATOM 1396 N LYS B 100 -51.405 15.448 11.447 1.00 47.07 N ATOM 1397 CA LYS B 100 -52.255 16.549 11.861 1.00 49.80 C ATOM 1398 C LYS B 100 -53.718 16.184 11.753 1.00 52.61 C ATOM 1399 O LYS B 100 -54.495 16.501 12.608 1.00 54.68 O ATOM 1400 CB LYS B 100 -51.971 17.773 11.031 1.00 49.24 C ATOM 1401 CG LYS B 100 -52.944 18.896 11.282 1.00 52.27 C ATOM 1402 CD LYS B 100 -52.595 20.104 10.436 1.00 60.04 C ATOM 1403 CE LYS B 100 -53.618 21.240 10.604 1.00 66.71 C ATOM 1404 NZ LYS B 100 -54.212 21.714 9.328 1.00 64.97 N ATOM 1405 HA LYS B 100 -52.032 16.765 12.906 1.00 0.00 H ATOM 1406 HB2 LYS B 100 -50.966 18.125 11.264 1.00 0.00 H ATOM 1407 HB3 LYS B 100 -52.023 17.498 9.978 1.00 0.00 H ATOM 1408 HG2 LYS B 100 -53.950 18.561 11.031 1.00 0.00 H ATOM 1409 HG3 LYS B 100 -52.907 19.173 12.335 1.00 0.00 H ATOM 1410 HD2 LYS B 100 -51.612 20.469 10.732 1.00 0.00 H ATOM 1411 HD3 LYS B 100 -52.570 19.805 9.388 1.00 0.00 H ATOM 1412 HE2 LYS B 100 -53.119 22.082 11.084 1.00 0.00 H ATOM 1413 HE3 LYS B 100 -54.424 20.883 11.246 1.00 0.00 H ATOM 1414 HZ1 LYS B 100 -53.458 22.070 8.707 1.00 0.00 H ATOM 1415 HZ2 LYS B 100 -54.703 20.925 8.862 1.00 0.00 H ATOM 1416 HZ3 LYS B 100 -54.890 22.478 9.525 1.00 0.00 H ATOM 1417 H LYS B 100 -50.855 15.523 10.568 1.00 0.00 H ATOM 1418 N LYS B 101 -54.084 15.493 10.700 1.00 50.75 N ATOM 1419 CA LYS B 101 -55.427 15.017 10.538 1.00 55.74 C ATOM 1420 C LYS B 101 -55.884 14.060 11.632 1.00 55.51 C ATOM 1421 O LYS B 101 -57.042 13.975 11.927 1.00 57.10 O ATOM 1422 CB LYS B 101 -55.531 14.327 9.202 1.00 53.92 C ATOM 1423 CG LYS B 101 -56.710 14.769 8.421 1.00 61.19 C ATOM 1424 CD LYS B 101 -57.043 13.754 7.347 1.00 63.99 C ATOM 1425 CE LYS B 101 -57.532 12.515 8.004 1.00 69.08 C ATOM 1426 NZ LYS B 101 -57.836 12.910 9.417 1.00 68.98 N ATOM 1427 HA LYS B 101 -56.081 15.886 10.602 1.00 0.00 H ATOM 1428 HB2 LYS B 101 -54.631 14.542 8.627 1.00 0.00 H ATOM 1429 HB3 LYS B 101 -55.606 13.252 9.369 1.00 0.00 H ATOM 1430 HG2 LYS B 101 -57.564 14.878 9.090 1.00 0.00 H ATOM 1431 HG3 LYS B 101 -56.492 15.729 7.953 1.00 0.00 H ATOM 1432 HD2 LYS B 101 -57.817 14.153 6.691 1.00 0.00 H ATOM 1433 HD3 LYS B 101 -56.151 13.532 6.761 1.00 0.00 H ATOM 1434 HE2 LYS B 101 -56.764 11.741 7.980 1.00 0.00 H ATOM 1435 HE3 LYS B 101 -58.431 12.149 7.508 1.00 0.00 H ATOM 1436 HZ1 LYS B 101 -56.970 13.266 9.870 1.00 0.00 H ATOM 1437 HZ2 LYS B 101 -58.562 13.655 9.419 1.00 0.00 H ATOM 1438 HZ3 LYS B 101 -58.186 12.082 9.939 1.00 0.00 H ATOM 1439 H LYS B 101 -53.381 15.285 9.962 1.00 0.00 H ATOM 1440 N HIS B 102 -54.966 13.350 12.243 1.00 55.22 N ATOM 1441 CA HIS B 102 -55.318 12.490 13.334 1.00 55.31 C ATOM 1442 C HIS B 102 -54.639 12.889 14.619 1.00 54.53 C ATOM 1443 O HIS B 102 -54.292 12.034 15.420 1.00 51.77 O ATOM 1444 CB HIS B 102 -54.910 11.084 12.967 1.00 55.47 C ATOM 1445 CG HIS B 102 -55.527 10.626 11.697 1.00 58.74 C ATOM 1446 ND1 HIS B 102 -56.823 10.180 11.630 1.00 58.29 N ATOM 1447 CD2 HIS B 102 -55.051 10.599 10.435 1.00 54.56 C ATOM 1448 CE1 HIS B 102 -57.116 9.874 10.383 1.00 59.03 C ATOM 1449 NE2 HIS B 102 -56.057 10.124 9.638 1.00 61.59 N ATOM 1450 HA HIS B 102 -56.392 12.564 13.503 1.00 0.00 H ATOM 1451 HB2 HIS B 102 -53.826 11.051 12.861 1.00 0.00 H ATOM 1452 HB3 HIS B 102 -55.216 10.411 13.768 1.00 0.00 H ATOM 1453 HD2 HIS B 102 -54.054 10.899 10.111 1.00 0.00 H ATOM 1454 HE1 HIS B 102 -58.069 9.482 10.028 1.00 0.00 H ATOM 1455 H HIS B 102 -53.975 13.412 11.933 1.00 0.00 H ATOM 1456 N ALA B 103 -54.439 14.182 14.808 1.00 52.35 N ATOM 1457 CA ALA B 103 -53.642 14.638 15.934 1.00 57.59 C ATOM 1458 C ALA B 103 -54.144 14.138 17.264 1.00 59.76 C ATOM 1459 O ALA B 103 -53.346 13.840 18.119 1.00 60.84 O ATOM 1460 CB ALA B 103 -53.536 16.141 15.958 1.00 57.48 C ATOM 1461 HA ALA B 103 -52.652 14.209 15.783 1.00 0.00 H ATOM 1462 HB1 ALA B 103 -53.065 16.485 15.037 1.00 0.00 H ATOM 1463 HB2 ALA B 103 -54.533 16.573 16.041 1.00 0.00 H ATOM 1464 HB3 ALA B 103 -52.933 16.448 16.813 1.00 0.00 H ATOM 1465 H ALA B 103 -54.852 14.873 14.150 1.00 0.00 H ATOM 1466 N GLU B 104 -55.455 14.071 17.452 1.00 57.89 N ATOM 1467 CA GLU B 104 -56.020 13.602 18.716 1.00 62.42 C ATOM 1468 C GLU B 104 -55.691 12.134 18.990 1.00 62.30 C ATOM 1469 O GLU B 104 -55.679 11.704 20.139 1.00 62.92 O ATOM 1470 CB GLU B 104 -57.534 13.804 18.767 1.00 65.38 C ATOM 1471 CG GLU B 104 -58.034 15.121 18.166 1.00 75.34 C ATOM 1472 CD GLU B 104 -57.523 16.360 18.907 1.00 82.78 C ATOM 1473 OE1 GLU B 104 -56.954 17.257 18.233 1.00 82.18 O ATOM 1474 OE2 GLU B 104 -57.679 16.427 20.153 1.00 86.57 O ATOM 1475 HA GLU B 104 -55.556 14.207 19.495 1.00 0.00 H ATOM 1476 HB2 GLU B 104 -58.003 12.984 18.222 1.00 0.00 H ATOM 1477 HB3 GLU B 104 -57.845 13.769 19.811 1.00 0.00 H ATOM 1478 HG2 GLU B 104 -57.702 15.176 17.129 1.00 0.00 H ATOM 1479 HG3 GLU B 104 -59.124 15.124 18.198 1.00 0.00 H ATOM 1480 H GLU B 104 -56.095 14.358 16.684 1.00 0.00 H ATOM 1481 N LYS B 105 -55.399 11.369 17.949 1.00 54.14 N ATOM 1482 CA LYS B 105 -55.121 9.966 18.144 1.00 56.36 C ATOM 1483 C LYS B 105 -53.638 9.692 18.363 1.00 56.06 C ATOM 1484 O LYS B 105 -53.259 8.552 18.687 1.00 56.09 O ATOM 1485 CB LYS B 105 -55.690 9.144 16.991 1.00 57.22 C ATOM 1486 CG LYS B 105 -57.224 9.248 16.848 1.00 62.25 C ATOM 1487 CD LYS B 105 -57.805 8.245 15.818 1.00 64.88 C ATOM 1488 CE LYS B 105 -57.497 8.633 14.364 1.00 59.78 C ATOM 1489 NZ LYS B 105 -58.274 9.842 13.899 1.00 55.46 N ATOM 1490 HA LYS B 105 -55.622 9.655 19.061 1.00 0.00 H ATOM 1491 HB2 LYS B 105 -55.234 9.491 16.064 1.00 0.00 H ATOM 1492 HB3 LYS B 105 -55.430 8.098 17.153 1.00 0.00 H ATOM 1493 HG2 LYS B 105 -57.678 9.051 17.819 1.00 0.00 H ATOM 1494 HG3 LYS B 105 -57.476 10.259 16.529 1.00 0.00 H ATOM 1495 HD2 LYS B 105 -57.379 7.261 16.013 1.00 0.00 H ATOM 1496 HD3 LYS B 105 -58.887 8.203 15.945 1.00 0.00 H ATOM 1497 HE2 LYS B 105 -57.746 7.790 13.719 1.00 0.00 H ATOM 1498 HE3 LYS B 105 -56.432 8.851 14.280 1.00 0.00 H ATOM 1499 HZ1 LYS B 105 -59.293 9.644 13.965 1.00 0.00 H ATOM 1500 HZ2 LYS B 105 -58.038 10.657 14.501 1.00 0.00 H ATOM 1501 HZ3 LYS B 105 -58.024 10.055 12.912 1.00 0.00 H ATOM 1502 H LYS B 105 -55.370 11.778 16.993 1.00 0.00 H ATOM 1503 N ASN B 106 -52.803 10.734 18.238 1.00 53.14 N ATOM 1504 CA ASN B 106 -51.336 10.570 18.245 1.00 52.75 C ATOM 1505 C ASN B 106 -50.797 9.519 17.275 1.00 52.94 C ATOM 1506 O ASN B 106 -50.129 8.592 17.704 1.00 53.25 O ATOM 1507 CB ASN B 106 -50.821 10.243 19.648 1.00 56.94 C ATOM 1508 CG ASN B 106 -50.459 11.493 20.454 1.00 61.53 C ATOM 1509 OD1 ASN B 106 -51.273 12.402 20.638 1.00 67.07 O ATOM 1510 ND2 ASN B 106 -49.237 11.532 20.945 1.00 65.49 N ATOM 1511 HA ASN B 106 -50.964 11.536 17.905 1.00 0.00 H ATOM 1512 HB2 ASN B 106 -51.595 9.695 20.184 1.00 0.00 H ATOM 1513 HB3 ASN B 106 -49.933 9.618 19.556 1.00 0.00 H ATOM 1514 HD22 ASN B 106 -48.580 10.746 20.768 1.00 0.00 H ATOM 1515 HD21 ASN B 106 -48.929 12.349 21.510 1.00 0.00 H ATOM 1516 H ASN B 106 -53.202 11.689 18.133 1.00 0.00 H ATOM 1517 N TRP B 107 -51.090 9.649 15.979 1.00 51.60 N ATOM 1518 CA TRP B 107 -50.559 8.702 14.981 1.00 51.77 C ATOM 1519 C TRP B 107 -49.212 9.204 14.459 1.00 50.28 C ATOM 1520 O TRP B 107 -49.162 10.124 13.628 1.00 48.60 O ATOM 1521 CB TRP B 107 -51.540 8.541 13.824 1.00 52.36 C ATOM 1522 CG TRP B 107 -52.710 7.703 14.152 1.00 57.15 C ATOM 1523 CD1 TRP B 107 -52.991 7.135 15.356 1.00 57.14 C ATOM 1524 CD2 TRP B 107 -53.791 7.337 13.270 1.00 59.22 C ATOM 1525 NE1 TRP B 107 -54.152 6.413 15.273 1.00 60.08 N ATOM 1526 CE2 TRP B 107 -54.665 6.521 14.009 1.00 57.71 C ATOM 1527 CE3 TRP B 107 -54.086 7.604 11.920 1.00 54.75 C ATOM 1528 CZ2 TRP B 107 -55.824 5.969 13.457 1.00 62.67 C ATOM 1529 CZ3 TRP B 107 -55.226 7.070 11.377 1.00 58.82 C ATOM 1530 CH2 TRP B 107 -56.089 6.251 12.144 1.00 58.75 C ATOM 1531 HA TRP B 107 -50.422 7.731 15.456 1.00 0.00 H ATOM 1532 HB2 TRP B 107 -51.895 9.530 13.533 1.00 0.00 H ATOM 1533 HB3 TRP B 107 -51.013 8.084 12.986 1.00 0.00 H ATOM 1534 HE1 TRP B 107 -54.577 5.868 16.050 1.00 0.00 H ATOM 1535 HD1 TRP B 107 -52.382 7.239 16.254 1.00 0.00 H ATOM 1536 HZ2 TRP B 107 -56.490 5.340 14.048 1.00 0.00 H ATOM 1537 HH2 TRP B 107 -56.983 5.836 11.679 1.00 0.00 H ATOM 1538 HZ3 TRP B 107 -55.472 7.280 10.336 1.00 0.00 H ATOM 1539 HE3 TRP B 107 -53.421 8.223 11.318 1.00 0.00 H ATOM 1540 H TRP B 107 -51.702 10.430 15.668 1.00 0.00 H ATOM 1541 N PHE B 108 -48.134 8.610 14.971 1.00 47.28 N ATOM 1542 CA PHE B 108 -46.780 8.967 14.563 1.00 50.89 C ATOM 1543 C PHE B 108 -46.378 8.390 13.216 1.00 47.25 C ATOM 1544 O PHE B 108 -46.842 7.321 12.823 1.00 46.91 O ATOM 1545 CB PHE B 108 -45.732 8.515 15.611 1.00 47.24 C ATOM 1546 CG PHE B 108 -45.855 9.213 16.928 1.00 54.38 C ATOM 1547 CD1 PHE B 108 -45.193 10.417 17.157 1.00 49.72 C ATOM 1548 CD2 PHE B 108 -46.656 8.671 17.950 1.00 57.68 C ATOM 1549 CE1 PHE B 108 -45.313 11.084 18.387 1.00 54.15 C ATOM 1550 CE2 PHE B 108 -46.774 9.329 19.180 1.00 59.70 C ATOM 1551 CZ PHE B 108 -46.095 10.541 19.396 1.00 58.60 C ATOM 1552 HA PHE B 108 -46.795 10.054 14.480 1.00 0.00 H ATOM 1553 HB2 PHE B 108 -45.851 7.444 15.777 1.00 0.00 H ATOM 1554 HB3 PHE B 108 -44.738 8.711 15.210 1.00 0.00 H ATOM 1555 HD2 PHE B 108 -47.187 7.734 17.783 1.00 0.00 H ATOM 1556 HE2 PHE B 108 -47.392 8.902 19.970 1.00 0.00 H ATOM 1557 HZ PHE B 108 -46.183 11.053 20.354 1.00 0.00 H ATOM 1558 HE1 PHE B 108 -44.792 12.028 18.549 1.00 0.00 H ATOM 1559 HD1 PHE B 108 -44.573 10.847 16.370 1.00 0.00 H ATOM 1560 H PHE B 108 -48.263 7.866 15.686 1.00 0.00 H ATOM 1561 N VAL B 109 -45.465 9.094 12.549 1.00 44.75 N ATOM 1562 CA VAL B 109 -44.615 8.466 11.538 1.00 44.19 C ATOM 1563 C VAL B 109 -43.659 7.584 12.311 1.00 46.25 C ATOM 1564 O VAL B 109 -43.087 8.008 13.331 1.00 47.39 O ATOM 1565 CB VAL B 109 -43.775 9.486 10.794 1.00 42.81 C ATOM 1566 CG1 VAL B 109 -42.872 8.785 9.759 1.00 40.93 C ATOM 1567 CG2 VAL B 109 -44.656 10.547 10.146 1.00 41.99 C ATOM 1568 HA VAL B 109 -45.232 7.936 10.812 1.00 0.00 H ATOM 1569 HB VAL B 109 -43.129 9.995 11.510 1.00 0.00 H ATOM 1570 HG11 VAL B 109 -42.211 8.085 10.270 1.00 0.00 H ATOM 1571 HG12 VAL B 109 -43.493 8.245 9.044 1.00 0.00 H ATOM 1572 HG13 VAL B 109 -42.276 9.531 9.234 1.00 0.00 H ATOM 1573 HG21 VAL B 109 -45.337 10.071 9.440 1.00 0.00 H ATOM 1574 HG22 VAL B 109 -45.231 11.061 10.917 1.00 0.00 H ATOM 1575 HG23 VAL B 109 -44.029 11.266 9.619 1.00 0.00 H ATOM 1576 H VAL B 109 -45.355 10.108 12.751 1.00 0.00 H ATOM 1577 N GLY B 110 -43.493 6.353 11.859 1.00 47.70 N ATOM 1578 CA GLY B 110 -42.622 5.428 12.563 1.00 50.18 C ATOM 1579 C GLY B 110 -42.192 4.317 11.648 1.00 53.97 C ATOM 1580 O GLY B 110 -42.941 3.898 10.771 1.00 56.63 O ATOM 1581 HA3 GLY B 110 -43.157 5.007 13.414 1.00 0.00 H ATOM 1582 HA2 GLY B 110 -41.741 5.963 12.918 1.00 0.00 H ATOM 1583 H GLY B 110 -43.987 6.046 10.997 1.00 0.00 H ATOM 1584 N LEU B 111 -40.969 3.858 11.848 1.00 55.75 N ATOM 1585 CA LEU B 111 -40.443 2.732 11.127 1.00 56.47 C ATOM 1586 C LEU B 111 -40.167 1.620 12.118 1.00 59.77 C ATOM 1587 O LEU B 111 -39.792 1.867 13.247 1.00 61.78 O ATOM 1588 CB LEU B 111 -39.160 3.123 10.394 1.00 57.10 C ATOM 1589 CG LEU B 111 -39.296 4.055 9.174 1.00 54.66 C ATOM 1590 CD1 LEU B 111 -37.953 4.258 8.516 1.00 50.08 C ATOM 1591 CD2 LEU B 111 -40.295 3.522 8.177 1.00 53.37 C ATOM 1592 HA LEU B 111 -41.165 2.396 10.382 1.00 0.00 H ATOM 1593 HB2 LEU B 111 -38.510 3.620 11.114 1.00 0.00 H ATOM 1594 HB3 LEU B 111 -38.685 2.203 10.052 1.00 0.00 H ATOM 1595 HG LEU B 111 -39.665 5.017 9.531 1.00 0.00 H ATOM 1596 HD21 LEU B 111 -39.970 2.542 7.828 1.00 0.00 H ATOM 1597 HD22 LEU B 111 -41.271 3.434 8.654 1.00 0.00 H ATOM 1598 HD23 LEU B 111 -40.363 4.206 7.331 1.00 0.00 H ATOM 1599 HD11 LEU B 111 -37.263 4.706 9.231 1.00 0.00 H ATOM 1600 HD12 LEU B 111 -37.562 3.295 8.187 1.00 0.00 H ATOM 1601 HD13 LEU B 111 -38.067 4.919 7.656 1.00 0.00 H ATOM 1602 H LEU B 111 -40.366 4.329 12.552 1.00 0.00 H ATOM 1603 N LYS B 112 -40.375 0.395 11.689 1.00 62.99 N ATOM 1604 CA LYS B 112 -40.068 -0.724 12.518 1.00 65.20 C ATOM 1605 C LYS B 112 -38.600 -0.995 12.373 1.00 67.00 C ATOM 1606 O LYS B 112 -37.959 -0.496 11.459 1.00 66.60 O ATOM 1607 CB LYS B 112 -40.849 -1.933 12.067 1.00 66.57 C ATOM 1608 CG LYS B 112 -42.264 -1.632 11.706 1.00 66.93 C ATOM 1609 CD LYS B 112 -42.892 -2.842 11.031 1.00 70.49 C ATOM 1610 CE LYS B 112 -43.770 -3.627 11.960 1.00 66.63 C ATOM 1611 NZ LYS B 112 -45.112 -3.720 11.389 1.00 70.07 N ATOM 1612 HA LYS B 112 -40.329 -0.514 13.555 1.00 0.00 H ATOM 1613 HB2 LYS B 112 -40.353 -2.357 11.194 1.00 0.00 H ATOM 1614 HB3 LYS B 112 -40.848 -2.665 12.875 1.00 0.00 H ATOM 1615 HG2 LYS B 112 -42.824 -1.389 12.609 1.00 0.00 H ATOM 1616 HG3 LYS B 112 -42.291 -0.782 11.024 1.00 0.00 H ATOM 1617 HD2 LYS B 112 -43.492 -2.500 10.188 1.00 0.00 H ATOM 1618 HD3 LYS B 112 -42.096 -3.493 10.669 1.00 0.00 H ATOM 1619 HE2 LYS B 112 -43.819 -3.126 12.927 1.00 0.00 H ATOM 1620 HE3 LYS B 112 -43.359 -4.628 12.092 1.00 0.00 H ATOM 1621 HZ1 LYS B 112 -45.501 -2.764 11.264 1.00 0.00 H ATOM 1622 HZ2 LYS B 112 -45.063 -4.198 10.467 1.00 0.00 H ATOM 1623 HZ3 LYS B 112 -45.724 -4.264 12.031 1.00 0.00 H ATOM 1624 H LYS B 112 -40.766 0.241 10.738 1.00 0.00 H ATOM 1625 N LYS B 113 -38.079 -1.803 13.287 1.00 70.15 N ATOM 1626 CA LYS B 113 -36.688 -2.232 13.283 1.00 68.79 C ATOM 1627 C LYS B 113 -36.246 -2.860 11.958 1.00 68.75 C ATOM 1628 O LYS B 113 -35.131 -2.640 11.543 1.00 67.72 O ATOM 1629 CB LYS B 113 -36.456 -3.183 14.454 1.00 69.12 C ATOM 1630 CG LYS B 113 -35.178 -4.024 14.397 1.00 72.41 C ATOM 1631 CD LYS B 113 -34.103 -3.576 15.409 1.00 77.85 C ATOM 1632 CE LYS B 113 -34.507 -3.924 16.861 1.00 79.15 C ATOM 1633 NZ LYS B 113 -33.369 -3.887 17.825 1.00 75.66 N ATOM 1634 HA LYS B 113 -36.068 -1.343 13.398 1.00 0.00 H ATOM 1635 HB2 LYS B 113 -36.422 -2.587 15.366 1.00 0.00 H ATOM 1636 HB3 LYS B 113 -37.303 -3.867 14.500 1.00 0.00 H ATOM 1637 HG2 LYS B 113 -35.438 -5.062 14.605 1.00 0.00 H ATOM 1638 HG3 LYS B 113 -34.760 -3.950 13.393 1.00 0.00 H ATOM 1639 HD2 LYS B 113 -33.164 -4.077 15.173 1.00 0.00 H ATOM 1640 HD3 LYS B 113 -33.968 -2.497 15.328 1.00 0.00 H ATOM 1641 HE2 LYS B 113 -34.933 -4.927 16.869 1.00 0.00 H ATOM 1642 HE3 LYS B 113 -35.260 -3.208 17.190 1.00 0.00 H ATOM 1643 HZ1 LYS B 113 -32.645 -4.573 17.531 1.00 0.00 H ATOM 1644 HZ2 LYS B 113 -32.958 -2.932 17.838 1.00 0.00 H ATOM 1645 HZ3 LYS B 113 -33.714 -4.130 18.776 1.00 0.00 H ATOM 1646 H LYS B 113 -38.698 -2.149 14.048 1.00 0.00 H ATOM 1647 N ASN B 114 -37.116 -3.619 11.294 1.00 66.99 N ATOM 1648 CA ASN B 114 -36.792 -4.188 9.988 1.00 68.92 C ATOM 1649 C ASN B 114 -36.881 -3.203 8.812 1.00 70.55 C ATOM 1650 O ASN B 114 -36.694 -3.597 7.659 1.00 72.15 O ATOM 1651 CB ASN B 114 -37.638 -5.437 9.690 1.00 68.17 C ATOM 1652 CG ASN B 114 -39.117 -5.123 9.467 1.00 73.11 C ATOM 1653 OD1 ASN B 114 -39.608 -4.019 9.775 1.00 76.67 O ATOM 1654 ND2 ASN B 114 -39.838 -6.096 8.943 1.00 71.55 N ATOM 1655 HA ASN B 114 -35.741 -4.464 10.071 1.00 0.00 H ATOM 1656 HB2 ASN B 114 -37.246 -5.915 8.792 1.00 0.00 H ATOM 1657 HB3 ASN B 114 -37.552 -6.123 10.533 1.00 0.00 H ATOM 1658 HD22 ASN B 114 -39.390 -7.002 8.700 1.00 0.00 H ATOM 1659 HD21 ASN B 114 -40.854 -5.956 8.773 1.00 0.00 H ATOM 1660 H ASN B 114 -38.047 -3.811 11.715 1.00 0.00 H ATOM 1661 N GLY B 115 -37.161 -1.932 9.090 1.00 66.22 N ATOM 1662 CA GLY B 115 -37.162 -0.931 8.037 1.00 64.75 C ATOM 1663 C GLY B 115 -38.490 -0.691 7.346 1.00 63.68 C ATOM 1664 O GLY B 115 -38.585 0.172 6.479 1.00 63.95 O ATOM 1665 HA3 GLY B 115 -36.444 -1.244 7.279 1.00 0.00 H ATOM 1666 HA2 GLY B 115 -36.839 0.013 8.475 1.00 0.00 H ATOM 1667 H GLY B 115 -37.381 -1.653 10.068 1.00 0.00 H ATOM 1668 N SER B 116 -39.525 -1.443 7.709 1.00 63.51 N ATOM 1669 CA SER B 116 -40.827 -1.233 7.096 1.00 62.96 C ATOM 1670 C SER B 116 -41.589 -0.238 7.956 1.00 62.41 C ATOM 1671 O SER B 116 -41.175 0.034 9.069 1.00 61.10 O ATOM 1672 CB SER B 116 -41.574 -2.558 6.956 1.00 62.15 C ATOM 1673 OG SER B 116 -42.163 -2.936 8.180 1.00 66.48 O ATOM 1674 HA SER B 116 -40.720 -0.831 6.088 1.00 0.00 H ATOM 1675 HB2 SER B 116 -40.873 -3.332 6.643 1.00 0.00 H ATOM 1676 HB3 SER B 116 -42.354 -2.450 6.203 1.00 0.00 H ATOM 1677 HG SER B 116 -41.457 -3.039 8.867 1.00 0.00 H ATOM 1678 H SER B 116 -39.403 -2.181 8.431 1.00 0.00 H ATOM 1679 N CYS B 117 -42.684 0.312 7.445 1.00 61.86 N ATOM 1680 CA CYS B 117 -43.399 1.359 8.166 1.00 62.11 C ATOM 1681 C CYS B 117 -44.289 0.817 9.281 1.00 62.30 C ATOM 1682 O CYS B 117 -44.810 -0.305 9.215 1.00 63.10 O ATOM 1683 CB CYS B 117 -44.238 2.226 7.227 1.00 62.23 C ATOM 1684 SG CYS B 117 -45.919 1.513 6.958 1.00 85.47 S ATOM 1685 HA CYS B 117 -42.622 1.971 8.624 1.00 0.00 H ATOM 1686 HB2 CYS B 117 -43.728 2.302 6.266 1.00 0.00 H ATOM 1687 HB3 CYS B 117 -44.341 3.220 7.662 1.00 0.00 H ATOM 1688 HG CYS B 117 -46.633 2.331 6.106 1.00 0.00 H ATOM 1689 H CYS B 117 -43.036 -0.007 6.520 1.00 0.00 H ATOM 1690 N LYS B 118 -44.445 1.633 10.315 1.00 61.96 N ATOM 1691 CA LYS B 118 -45.330 1.336 11.413 1.00 62.62 C ATOM 1692 C LYS B 118 -46.572 2.207 11.268 1.00 63.57 C ATOM 1693 O LYS B 118 -46.462 3.439 11.093 1.00 62.41 O ATOM 1694 CB LYS B 118 -44.620 1.642 12.717 1.00 61.07 C ATOM 1695 CG LYS B 118 -45.126 0.868 13.885 1.00 60.48 C ATOM 1696 CD LYS B 118 -44.017 0.642 14.889 1.00 64.47 C ATOM 1697 CE LYS B 118 -44.539 -0.023 16.160 1.00 64.36 C ATOM 1698 NZ LYS B 118 -43.473 -0.108 17.195 1.00 67.53 N ATOM 1699 HA LYS B 118 -45.617 0.284 11.410 1.00 0.00 H ATOM 1700 HB2 LYS B 118 -43.561 1.417 12.591 1.00 0.00 H ATOM 1701 HB3 LYS B 118 -44.742 2.704 12.932 1.00 0.00 H ATOM 1702 HG2 LYS B 118 -45.934 1.423 14.361 1.00 0.00 H ATOM 1703 HG3 LYS B 118 -45.502 -0.096 13.542 1.00 0.00 H ATOM 1704 HD2 LYS B 118 -43.258 0.002 14.440 1.00 0.00 H ATOM 1705 HD3 LYS B 118 -43.573 1.603 15.149 1.00 0.00 H ATOM 1706 HE2 LYS B 118 -44.884 -1.029 15.920 1.00 0.00 H ATOM 1707 HE3 LYS B 118 -45.371 0.562 16.552 1.00 0.00 H ATOM 1708 HZ1 LYS B 118 -42.678 -0.669 16.827 1.00 0.00 H ATOM 1709 HZ2 LYS B 118 -43.143 0.850 17.431 1.00 0.00 H ATOM 1710 HZ3 LYS B 118 -43.855 -0.564 18.048 1.00 0.00 H ATOM 1711 H LYS B 118 -43.907 2.523 10.334 1.00 0.00 H ATOM 1712 N ARG B 119 -47.742 1.573 11.338 1.00 66.30 N ATOM 1713 CA ARG B 119 -49.018 2.256 11.146 1.00 65.36 C ATOM 1714 C ARG B 119 -49.303 3.171 12.323 1.00 61.54 C ATOM 1715 O ARG B 119 -49.046 2.809 13.460 1.00 62.90 O ATOM 1716 CB ARG B 119 -50.155 1.231 10.966 1.00 65.24 C ATOM 1717 CG ARG B 119 -50.089 0.484 9.649 1.00 75.51 C ATOM 1718 CD ARG B 119 -51.209 -0.575 9.476 1.00 85.12 C ATOM 1719 NE ARG B 119 -51.243 -1.078 8.097 1.00 91.75 N ATOM 1720 CZ ARG B 119 -50.404 -1.994 7.605 1.00 93.43 C ATOM 1721 NH1 ARG B 119 -49.457 -2.529 8.379 1.00 93.25 N ATOM 1722 NH2 ARG B 119 -50.511 -2.373 6.335 1.00 90.90 N ATOM 1723 HA ARG B 119 -48.959 2.862 10.242 1.00 0.00 H ATOM 1724 HB2 ARG B 119 -50.099 0.506 11.778 1.00 0.00 H ATOM 1725 HB3 ARG B 119 -51.107 1.759 11.017 1.00 0.00 H ATOM 1726 HG2 ARG B 119 -50.171 1.208 8.838 1.00 0.00 H ATOM 1727 HG3 ARG B 119 -49.125 -0.021 9.587 1.00 0.00 H ATOM 1728 HD2 ARG B 119 -52.171 -0.121 9.715 1.00 0.00 H ATOM 1729 HD3 ARG B 119 -51.023 -1.407 10.156 1.00 0.00 H ATOM 1730 HE ARG B 119 -51.970 -0.695 7.460 1.00 0.00 H ATOM 1731 HH12 ARG B 119 -48.808 -3.242 7.989 1.00 0.00 H ATOM 1732 HH11 ARG B 119 -49.369 -2.233 9.372 1.00 0.00 H ATOM 1733 HH22 ARG B 119 -49.860 -3.086 5.948 1.00 0.00 H ATOM 1734 HH21 ARG B 119 -51.246 -1.957 5.728 1.00 0.00 H ATOM 1735 H ARG B 119 -47.746 0.552 11.537 1.00 0.00 H ATOM 1736 N GLY B 120 -49.857 4.344 12.029 1.00 60.33 N ATOM 1737 CA GLY B 120 -50.173 5.371 13.022 1.00 59.55 C ATOM 1738 C GLY B 120 -50.758 4.918 14.345 1.00 61.08 C ATOM 1739 O GLY B 120 -50.214 5.219 15.406 1.00 60.04 O ATOM 1740 HA3 GLY B 120 -50.889 6.055 12.566 1.00 0.00 H ATOM 1741 HA2 GLY B 120 -49.250 5.907 13.241 1.00 0.00 H ATOM 1742 H GLY B 120 -50.079 4.543 11.033 1.00 0.00 H ATOM 1743 N PRO B 121 -51.892 4.204 14.304 1.00 63.50 N ATOM 1744 CA PRO B 121 -52.509 3.657 15.516 1.00 62.17 C ATOM 1745 C PRO B 121 -51.661 2.616 16.269 1.00 63.31 C ATOM 1746 O PRO B 121 -51.902 2.391 17.445 1.00 67.25 O ATOM 1747 CB PRO B 121 -53.798 3.018 14.993 1.00 63.11 C ATOM 1748 CG PRO B 121 -53.564 2.786 13.552 1.00 65.54 C ATOM 1749 CD PRO B 121 -52.717 3.944 13.115 1.00 62.06 C ATOM 1750 HA PRO B 121 -52.651 4.443 16.257 1.00 0.00 H ATOM 1751 HD3 PRO B 121 -52.099 3.679 12.257 1.00 0.00 H ATOM 1752 HD2 PRO B 121 -53.331 4.809 12.865 1.00 0.00 H ATOM 1753 HG3 PRO B 121 -54.507 2.771 13.006 1.00 0.00 H ATOM 1754 HG2 PRO B 121 -53.039 1.844 13.394 1.00 0.00 H ATOM 1755 HB2 PRO B 121 -53.992 2.075 15.505 1.00 0.00 H ATOM 1756 HB3 PRO B 121 -54.644 3.690 15.139 1.00 0.00 H ATOM 1757 N ARG B 122 -50.699 1.988 15.632 1.00 64.23 N ATOM 1758 CA ARG B 122 -49.818 1.109 16.376 1.00 64.30 C ATOM 1759 C ARG B 122 -48.532 1.808 16.854 1.00 63.43 C ATOM 1760 O ARG B 122 -47.614 1.137 17.317 1.00 62.85 O ATOM 1761 CB ARG B 122 -49.476 -0.155 15.585 1.00 66.17 C ATOM 1762 CG ARG B 122 -50.501 -1.338 15.659 1.00 69.50 C ATOM 1763 CD ARG B 122 -51.513 -1.275 16.839 1.00 76.83 C ATOM 1764 NE ARG B 122 -50.889 -0.884 18.108 1.00 84.00 N ATOM 1765 CZ ARG B 122 -50.598 -1.718 19.113 1.00 87.97 C ATOM 1766 NH1 ARG B 122 -50.889 -3.010 19.006 1.00 86.90 N ATOM 1767 NH2 ARG B 122 -50.007 -1.261 20.223 1.00 85.38 N ATOM 1768 HA ARG B 122 -50.376 0.820 17.266 1.00 0.00 H ATOM 1769 HB2 ARG B 122 -49.376 0.129 14.537 1.00 0.00 H ATOM 1770 HB3 ARG B 122 -48.519 -0.525 15.953 1.00 0.00 H ATOM 1771 HG2 ARG B 122 -51.069 -1.349 14.729 1.00 0.00 H ATOM 1772 HG3 ARG B 122 -49.937 -2.266 15.749 1.00 0.00 H ATOM 1773 HD2 ARG B 122 -51.965 -2.259 16.962 1.00 0.00 H ATOM 1774 HD3 ARG B 122 -52.288 -0.549 16.594 1.00 0.00 H ATOM 1775 HE ARG B 122 -50.654 0.121 18.237 1.00 0.00 H ATOM 1776 HH12 ARG B 122 -50.664 -3.660 19.786 1.00 0.00 H ATOM 1777 HH11 ARG B 122 -51.342 -3.371 18.142 1.00 0.00 H ATOM 1778 HH22 ARG B 122 -49.784 -1.915 21.000 1.00 0.00 H ATOM 1779 HH21 ARG B 122 -49.771 -0.252 20.309 1.00 0.00 H ATOM 1780 H ARG B 122 -50.571 2.119 14.608 1.00 0.00 H ATOM 1781 N THR B 123 -48.474 3.141 16.754 1.00 59.92 N ATOM 1782 CA THR B 123 -47.368 3.893 17.334 1.00 60.24 C ATOM 1783 C THR B 123 -47.703 4.462 18.730 1.00 61.68 C ATOM 1784 O THR B 123 -48.863 4.762 19.031 1.00 64.09 O ATOM 1785 CB THR B 123 -46.849 5.024 16.412 1.00 55.29 C ATOM 1786 OG1 THR B 123 -47.853 6.027 16.236 1.00 53.22 O ATOM 1787 CG2 THR B 123 -46.422 4.481 15.068 1.00 56.28 C ATOM 1788 HA THR B 123 -46.566 3.163 17.446 1.00 0.00 H ATOM 1789 HB THR B 123 -45.979 5.471 16.893 1.00 0.00 H ATOM 1790 HG1 THR B 123 -48.656 5.620 15.825 1.00 0.00 H ATOM 1791 HG23 THR B 123 -45.657 3.718 15.212 1.00 0.00 H ATOM 1792 HG21 THR B 123 -47.284 4.043 14.564 1.00 0.00 H ATOM 1793 HG22 THR B 123 -46.018 5.292 14.462 1.00 0.00 H ATOM 1794 H THR B 123 -49.231 3.649 16.254 1.00 0.00 H ATOM 1795 N HIS B 124 -46.691 4.610 19.578 1.00 61.17 N ATOM 1796 CA HIS B 124 -46.885 5.221 20.887 1.00 64.14 C ATOM 1797 C HIS B 124 -45.659 6.010 21.358 1.00 60.66 C ATOM 1798 O HIS B 124 -44.535 5.667 21.034 1.00 59.40 O ATOM 1799 CB HIS B 124 -47.265 4.157 21.933 1.00 63.51 C ATOM 1800 CG HIS B 124 -48.432 3.305 21.536 1.00 66.99 C ATOM 1801 ND1 HIS B 124 -49.730 3.602 21.901 1.00 71.40 N ATOM 1802 CD2 HIS B 124 -48.498 2.162 20.809 1.00 70.24 C ATOM 1803 CE1 HIS B 124 -50.543 2.680 21.412 1.00 72.31 C ATOM 1804 NE2 HIS B 124 -49.822 1.802 20.737 1.00 71.93 N ATOM 1805 HA HIS B 124 -47.705 5.932 20.781 1.00 0.00 H ATOM 1806 HB2 HIS B 124 -46.404 3.508 22.091 1.00 0.00 H ATOM 1807 HB3 HIS B 124 -47.512 4.665 22.865 1.00 0.00 H ATOM 1808 HD2 HIS B 124 -47.658 1.629 20.365 1.00 0.00 H ATOM 1809 HE1 HIS B 124 -51.625 2.650 21.544 1.00 0.00 H ATOM 1810 H HIS B 124 -45.743 4.284 19.303 1.00 0.00 H ATOM 1811 N TYR B 125 -45.901 7.071 22.120 1.00 65.65 N ATOM 1812 CA TYR B 125 -44.844 7.772 22.889 1.00 67.67 C ATOM 1813 C TYR B 125 -43.974 6.765 23.645 1.00 67.73 C ATOM 1814 O TYR B 125 -44.482 5.838 24.260 1.00 66.56 O ATOM 1815 CB TYR B 125 -45.469 8.776 23.870 1.00 70.43 C ATOM 1816 CG TYR B 125 -44.530 9.349 24.926 1.00 80.28 C ATOM 1817 CD1 TYR B 125 -43.343 10.002 24.569 1.00 81.34 C ATOM 1818 CD2 TYR B 125 -44.852 9.269 26.293 1.00 84.06 C ATOM 1819 CE1 TYR B 125 -42.489 10.538 25.541 1.00 81.88 C ATOM 1820 CE2 TYR B 125 -44.014 9.807 27.273 1.00 84.21 C ATOM 1821 CZ TYR B 125 -42.833 10.439 26.892 1.00 88.36 C ATOM 1822 OH TYR B 125 -42.002 10.967 27.868 1.00 88.14 O ATOM 1823 HA TYR B 125 -44.214 8.318 22.187 1.00 0.00 H ATOM 1824 HB3 TYR B 125 -46.286 8.273 24.387 1.00 0.00 H ATOM 1825 HB2 TYR B 125 -45.866 9.608 23.289 1.00 0.00 H ATOM 1826 HD2 TYR B 125 -45.776 8.776 26.595 1.00 0.00 H ATOM 1827 HE2 TYR B 125 -44.282 9.733 28.327 1.00 0.00 H ATOM 1828 HE1 TYR B 125 -41.562 11.029 25.246 1.00 0.00 H ATOM 1829 HD1 TYR B 125 -43.079 10.095 23.515 1.00 0.00 H ATOM 1830 HH TYR B 125 -41.709 10.244 28.477 1.00 0.00 H ATOM 1831 H TYR B 125 -46.877 7.426 22.180 1.00 0.00 H ATOM 1832 N GLY B 126 -42.664 6.931 23.561 1.00 65.96 N ATOM 1833 CA GLY B 126 -41.763 5.998 24.195 1.00 69.19 C ATOM 1834 C GLY B 126 -41.290 4.874 23.294 1.00 67.91 C ATOM 1835 O GLY B 126 -40.722 3.889 23.768 1.00 70.25 O ATOM 1836 HA3 GLY B 126 -42.275 5.557 25.051 1.00 0.00 H ATOM 1837 HA2 GLY B 126 -40.889 6.549 24.541 1.00 0.00 H ATOM 1838 H GLY B 126 -42.280 7.741 23.034 1.00 0.00 H ATOM 1839 N GLN B 127 -41.492 5.027 21.992 1.00 61.04 N ATOM 1840 CA GLN B 127 -41.015 4.024 21.039 1.00 62.12 C ATOM 1841 C GLN B 127 -39.820 4.545 20.231 1.00 61.80 C ATOM 1842 O GLN B 127 -39.817 5.700 19.754 1.00 57.25 O ATOM 1843 CB GLN B 127 -42.142 3.620 20.073 1.00 63.87 C ATOM 1844 CG GLN B 127 -43.250 2.768 20.672 1.00 63.31 C ATOM 1845 CD GLN B 127 -44.304 2.374 19.635 1.00 61.14 C ATOM 1846 OE1 GLN B 127 -44.313 2.894 18.537 1.00 60.94 O ATOM 1847 NE2 GLN B 127 -45.193 1.460 19.993 1.00 58.93 N ATOM 1848 HA GLN B 127 -40.696 3.154 21.613 1.00 0.00 H ATOM 1849 HB2 GLN B 127 -42.594 4.533 19.685 1.00 0.00 H ATOM 1850 HB3 GLN B 127 -41.695 3.060 19.252 1.00 0.00 H ATOM 1851 HG2 GLN B 127 -42.810 1.861 21.087 1.00 0.00 H ATOM 1852 HG3 GLN B 127 -43.735 3.332 21.468 1.00 0.00 H ATOM 1853 HE22 GLN B 127 -45.152 1.038 20.943 1.00 0.00 H ATOM 1854 HE21 GLN B 127 -45.933 1.164 19.324 1.00 0.00 H ATOM 1855 H GLN B 127 -41.995 5.869 21.645 1.00 0.00 H ATOM 1856 N LYS B 128 -38.811 3.690 20.077 1.00 61.28 N ATOM 1857 CA LYS B 128 -37.679 3.959 19.194 1.00 60.72 C ATOM 1858 C LYS B 128 -38.200 4.268 17.799 1.00 59.69 C ATOM 1859 O LYS B 128 -37.656 5.136 17.090 1.00 57.65 O ATOM 1860 CB LYS B 128 -36.763 2.738 19.118 1.00 65.18 C ATOM 1861 CG LYS B 128 -35.474 2.832 19.868 1.00 69.18 C ATOM 1862 CD LYS B 128 -35.721 3.002 21.359 1.00 77.86 C ATOM 1863 CE LYS B 128 -34.434 2.889 22.163 1.00 78.49 C ATOM 1864 NZ LYS B 128 -34.741 3.148 23.587 1.00 87.52 N ATOM 1865 HA LYS B 128 -37.116 4.806 19.587 1.00 0.00 H ATOM 1866 HB2 LYS B 128 -37.314 1.883 19.510 1.00 0.00 H ATOM 1867 HB3 LYS B 128 -36.525 2.565 18.068 1.00 0.00 H ATOM 1868 HG2 LYS B 128 -34.898 1.921 19.703 1.00 0.00 H ATOM 1869 HG3 LYS B 128 -34.909 3.689 19.500 1.00 0.00 H ATOM 1870 HD2 LYS B 128 -36.161 3.984 21.534 1.00 0.00 H ATOM 1871 HD3 LYS B 128 -36.414 2.230 21.692 1.00 0.00 H ATOM 1872 HE2 LYS B 128 -33.711 3.622 21.804 1.00 0.00 H ATOM 1873 HE3 LYS B 128 -34.019 1.887 22.053 1.00 0.00 H ATOM 1874 HZ1 LYS B 128 -35.138 4.104 23.686 1.00 0.00 H ATOM 1875 HZ2 LYS B 128 -35.432 2.448 23.924 1.00 0.00 H ATOM 1876 HZ3 LYS B 128 -33.868 3.074 24.148 1.00 0.00 H ATOM 1877 H LYS B 128 -38.830 2.795 20.606 1.00 0.00 H ATOM 1878 N ALA B 129 -39.280 3.577 17.429 1.00 58.27 N ATOM 1879 CA ALA B 129 -39.847 3.638 16.073 1.00 55.81 C ATOM 1880 C ALA B 129 -40.112 5.046 15.584 1.00 52.27 C ATOM 1881 O ALA B 129 -40.013 5.320 14.399 1.00 51.41 O ATOM 1882 CB ALA B 129 -41.110 2.843 16.007 1.00 54.98 C ATOM 1883 HA ALA B 129 -39.091 3.214 15.413 1.00 0.00 H ATOM 1884 HB1 ALA B 129 -40.898 1.804 16.260 1.00 0.00 H ATOM 1885 HB2 ALA B 129 -41.832 3.250 16.715 1.00 0.00 H ATOM 1886 HB3 ALA B 129 -41.519 2.897 14.998 1.00 0.00 H ATOM 1887 H ALA B 129 -39.743 2.967 18.132 1.00 0.00 H ATOM 1888 N ILE B 130 -40.439 5.945 16.502 1.00 49.54 N ATOM 1889 CA ILE B 130 -40.913 7.261 16.120 1.00 49.15 C ATOM 1890 C ILE B 130 -39.837 8.347 16.211 1.00 48.49 C ATOM 1891 O ILE B 130 -40.104 9.504 15.923 1.00 45.68 O ATOM 1892 CB ILE B 130 -42.149 7.661 16.948 1.00 48.27 C ATOM 1893 CG1 ILE B 130 -41.769 7.846 18.440 1.00 49.44 C ATOM 1894 CG2 ILE B 130 -43.255 6.634 16.767 1.00 49.05 C ATOM 1895 CD1 ILE B 130 -42.872 8.390 19.321 1.00 50.22 C ATOM 1896 HA ILE B 130 -41.191 7.186 15.069 1.00 0.00 H ATOM 1897 HB ILE B 130 -42.525 8.619 16.589 1.00 0.00 H ATOM 1898 HG12 ILE B 130 -41.469 6.875 18.835 1.00 0.00 H ATOM 1899 HG13 ILE B 130 -40.925 8.534 18.491 1.00 0.00 H ATOM 1900 HD11 ILE B 130 -43.179 9.369 18.954 1.00 0.00 H ATOM 1901 HD12 ILE B 130 -43.723 7.709 19.298 1.00 0.00 H ATOM 1902 HD13 ILE B 130 -42.506 8.482 20.344 1.00 0.00 H ATOM 1903 HG21 ILE B 130 -43.531 6.581 15.714 1.00 0.00 H ATOM 1904 HG22 ILE B 130 -42.901 5.658 17.100 1.00 0.00 H ATOM 1905 HG23 ILE B 130 -44.123 6.928 17.357 1.00 0.00 H ATOM 1906 H ILE B 130 -40.354 5.703 17.510 1.00 0.00 H ATOM 1907 N LEU B 131 -38.629 7.962 16.616 1.00 46.40 N ATOM 1908 CA LEU B 131 -37.562 8.936 16.878 1.00 47.99 C ATOM 1909 C LEU B 131 -36.695 9.153 15.664 1.00 48.17 C ATOM 1910 O LEU B 131 -36.012 8.237 15.198 1.00 49.14 O ATOM 1911 CB LEU B 131 -36.700 8.503 18.067 1.00 51.36 C ATOM 1912 CG LEU B 131 -37.466 8.366 19.395 1.00 55.61 C ATOM 1913 CD1 LEU B 131 -36.587 7.814 20.481 1.00 57.35 C ATOM 1914 CD2 LEU B 131 -38.112 9.699 19.839 1.00 51.66 C ATOM 1915 HA LEU B 131 -38.047 9.881 17.122 1.00 0.00 H ATOM 1916 HB2 LEU B 131 -36.253 7.537 17.830 1.00 0.00 H ATOM 1917 HB3 LEU B 131 -35.911 9.243 18.203 1.00 0.00 H ATOM 1918 HG LEU B 131 -38.274 7.657 19.216 1.00 0.00 H ATOM 1919 HD21 LEU B 131 -37.335 10.451 19.973 1.00 0.00 H ATOM 1920 HD22 LEU B 131 -38.815 10.033 19.076 1.00 0.00 H ATOM 1921 HD23 LEU B 131 -38.640 9.549 20.781 1.00 0.00 H ATOM 1922 HD11 LEU B 131 -36.224 6.829 20.187 1.00 0.00 H ATOM 1923 HD12 LEU B 131 -35.741 8.483 20.637 1.00 0.00 H ATOM 1924 HD13 LEU B 131 -37.161 7.731 21.404 1.00 0.00 H ATOM 1925 H LEU B 131 -38.437 6.949 16.750 1.00 0.00 H ATOM 1926 N PHE B 132 -36.754 10.364 15.112 1.00 48.46 N ATOM 1927 CA PHE B 132 -35.951 10.687 13.935 1.00 49.29 C ATOM 1928 C PHE B 132 -34.939 11.751 14.244 1.00 50.48 C ATOM 1929 O PHE B 132 -35.196 12.667 15.012 1.00 51.94 O ATOM 1930 CB PHE B 132 -36.794 11.106 12.722 1.00 45.47 C ATOM 1931 CG PHE B 132 -37.638 10.005 12.190 1.00 49.96 C ATOM 1932 CD1 PHE B 132 -37.144 9.159 11.194 1.00 48.50 C ATOM 1933 CD2 PHE B 132 -38.908 9.779 12.708 1.00 46.02 C ATOM 1934 CE1 PHE B 132 -37.910 8.106 10.709 1.00 48.64 C ATOM 1935 CE2 PHE B 132 -39.687 8.727 12.223 1.00 49.70 C ATOM 1936 CZ PHE B 132 -39.185 7.888 11.222 1.00 48.29 C ATOM 1937 HA PHE B 132 -35.437 9.764 13.666 1.00 0.00 H ATOM 1938 HB2 PHE B 132 -37.444 11.929 13.019 1.00 0.00 H ATOM 1939 HB3 PHE B 132 -36.122 11.441 11.932 1.00 0.00 H ATOM 1940 HD2 PHE B 132 -39.297 10.425 13.495 1.00 0.00 H ATOM 1941 HE2 PHE B 132 -40.687 8.559 12.624 1.00 0.00 H ATOM 1942 HZ PHE B 132 -39.792 7.065 10.845 1.00 0.00 H ATOM 1943 HE1 PHE B 132 -37.514 7.454 9.930 1.00 0.00 H ATOM 1944 HD1 PHE B 132 -36.145 9.327 10.792 1.00 0.00 H ATOM 1945 H PHE B 132 -37.378 11.087 15.523 1.00 0.00 H ATOM 1946 N LEU B 133 -33.778 11.600 13.627 1.00 48.87 N ATOM 1947 CA LEU B 133 -32.730 12.545 13.761 1.00 49.50 C ATOM 1948 C LEU B 133 -32.442 13.047 12.358 1.00 50.19 C ATOM 1949 O LEU B 133 -32.077 12.278 11.484 1.00 50.46 O ATOM 1950 CB LEU B 133 -31.530 11.830 14.363 1.00 53.75 C ATOM 1951 CG LEU B 133 -30.360 12.600 14.930 1.00 55.57 C ATOM 1952 CD1 LEU B 133 -30.796 13.228 16.224 1.00 55.97 C ATOM 1953 CD2 LEU B 133 -29.202 11.644 15.162 1.00 57.71 C ATOM 1954 HA LEU B 133 -32.979 13.384 14.410 1.00 0.00 H ATOM 1955 HB2 LEU B 133 -31.914 11.211 15.174 1.00 0.00 H ATOM 1956 HB3 LEU B 133 -31.127 11.189 13.579 1.00 0.00 H ATOM 1957 HG LEU B 133 -30.034 13.379 14.241 1.00 0.00 H ATOM 1958 HD21 LEU B 133 -29.507 10.869 15.865 1.00 0.00 H ATOM 1959 HD22 LEU B 133 -28.916 11.185 14.215 1.00 0.00 H ATOM 1960 HD23 LEU B 133 -28.355 12.194 15.571 1.00 0.00 H ATOM 1961 HD11 LEU B 133 -31.633 13.901 16.036 1.00 0.00 H ATOM 1962 HD12 LEU B 133 -31.105 12.447 16.919 1.00 0.00 H ATOM 1963 HD13 LEU B 133 -29.966 13.790 16.652 1.00 0.00 H ATOM 1964 H LEU B 133 -33.630 10.764 13.026 1.00 0.00 H ATOM 1965 N PRO B 134 -32.648 14.345 12.120 1.00 50.30 N ATOM 1966 CA PRO B 134 -32.207 14.950 10.865 1.00 45.90 C ATOM 1967 C PRO B 134 -30.686 14.994 10.778 1.00 52.70 C ATOM 1968 O PRO B 134 -30.003 15.514 11.681 1.00 52.92 O ATOM 1969 CB PRO B 134 -32.751 16.369 10.933 1.00 47.49 C ATOM 1970 CG PRO B 134 -32.948 16.643 12.352 1.00 51.56 C ATOM 1971 CD PRO B 134 -33.286 15.312 13.012 1.00 50.36 C ATOM 1972 HA PRO B 134 -32.554 14.389 9.997 1.00 0.00 H ATOM 1973 HD3 PRO B 134 -32.871 15.254 14.018 1.00 0.00 H ATOM 1974 HD2 PRO B 134 -34.364 15.156 13.056 1.00 0.00 H ATOM 1975 HG3 PRO B 134 -33.767 17.349 12.488 1.00 0.00 H ATOM 1976 HG2 PRO B 134 -32.037 17.057 12.785 1.00 0.00 H ATOM 1977 HB2 PRO B 134 -32.037 17.072 10.504 1.00 0.00 H ATOM 1978 HB3 PRO B 134 -33.697 16.441 10.396 1.00 0.00 H ATOM 1979 N LEU B 135 -30.171 14.417 9.695 1.00 53.24 N ATOM 1980 CA LEU B 135 -28.736 14.292 9.453 1.00 50.97 C ATOM 1981 C LEU B 135 -28.476 14.958 8.122 1.00 53.74 C ATOM 1982 O LEU B 135 -29.385 15.082 7.304 1.00 54.32 O ATOM 1983 CB LEU B 135 -28.317 12.825 9.388 1.00 47.08 C ATOM 1984 CG LEU B 135 -28.075 12.134 10.711 1.00 52.25 C ATOM 1985 CD1 LEU B 135 -27.749 10.615 10.550 1.00 46.83 C ATOM 1986 CD2 LEU B 135 -27.012 12.859 11.505 1.00 45.52 C ATOM 1987 HA LEU B 135 -28.166 14.754 10.259 1.00 0.00 H ATOM 1988 HB2 LEU B 135 -29.103 12.278 8.867 1.00 0.00 H ATOM 1989 HB3 LEU B 135 -27.394 12.769 8.811 1.00 0.00 H ATOM 1990 HG LEU B 135 -29.008 12.179 11.273 1.00 0.00 H ATOM 1991 HD21 LEU B 135 -26.081 12.871 10.937 1.00 0.00 H ATOM 1992 HD22 LEU B 135 -27.337 13.882 11.695 1.00 0.00 H ATOM 1993 HD23 LEU B 135 -26.854 12.345 12.453 1.00 0.00 H ATOM 1994 HD11 LEU B 135 -28.585 10.115 10.061 1.00 0.00 H ATOM 1995 HD12 LEU B 135 -26.850 10.500 9.944 1.00 0.00 H ATOM 1996 HD13 LEU B 135 -27.585 10.174 11.533 1.00 0.00 H ATOM 1997 H LEU B 135 -30.825 14.035 8.983 1.00 0.00 H ATOM 1998 N PRO B 136 -27.243 15.427 7.904 1.00 55.69 N ATOM 1999 CA PRO B 136 -26.927 16.005 6.597 1.00 56.45 C ATOM 2000 C PRO B 136 -26.742 14.919 5.518 1.00 58.04 C ATOM 2001 O PRO B 136 -26.609 13.720 5.830 1.00 55.51 O ATOM 2002 CB PRO B 136 -25.598 16.744 6.854 1.00 58.64 C ATOM 2003 CG PRO B 136 -24.950 16.020 7.999 1.00 49.82 C ATOM 2004 CD PRO B 136 -26.111 15.505 8.850 1.00 54.62 C ATOM 2005 HA PRO B 136 -27.723 16.649 6.223 1.00 0.00 H ATOM 2006 HD3 PRO B 136 -25.883 14.522 9.263 1.00 0.00 H ATOM 2007 HD2 PRO B 136 -26.332 16.197 9.663 1.00 0.00 H ATOM 2008 HG3 PRO B 136 -24.323 16.699 8.577 1.00 0.00 H ATOM 2009 HG2 PRO B 136 -24.344 15.190 7.634 1.00 0.00 H ATOM 2010 HB2 PRO B 136 -24.963 16.704 5.969 1.00 0.00 H ATOM 2011 HB3 PRO B 136 -25.786 17.785 7.118 1.00 0.00 H ATOM 2012 N VAL B 137 -26.765 15.348 4.256 1.00 56.60 N ATOM 2013 CA VAL B 137 -26.286 14.535 3.141 1.00 63.49 C ATOM 2014 C VAL B 137 -27.447 14.076 2.273 1.00 64.49 C ATOM 2015 O VAL B 137 -28.301 14.896 1.904 1.00 66.36 O ATOM 2016 CB VAL B 137 -25.335 13.346 3.598 1.00 63.52 C ATOM 2017 CG1 VAL B 137 -25.549 12.076 2.772 1.00 59.81 C ATOM 2018 CG2 VAL B 137 -23.856 13.796 3.595 1.00 62.81 C ATOM 2019 HA VAL B 137 -25.651 15.170 2.523 1.00 0.00 H ATOM 2020 HB VAL B 137 -25.605 13.088 4.622 1.00 0.00 H ATOM 2021 HG11 VAL B 137 -26.581 11.743 2.881 1.00 0.00 H ATOM 2022 HG12 VAL B 137 -25.343 12.288 1.723 1.00 0.00 H ATOM 2023 HG13 VAL B 137 -24.875 11.296 3.126 1.00 0.00 H ATOM 2024 HG21 VAL B 137 -23.574 14.106 2.589 1.00 0.00 H ATOM 2025 HG22 VAL B 137 -23.731 14.632 4.283 1.00 0.00 H ATOM 2026 HG23 VAL B 137 -23.224 12.966 3.911 1.00 0.00 H ATOM 2027 H VAL B 137 -27.138 16.298 4.058 1.00 0.00 H TER 2028 VAL B 137 HETATM 2029 O HOH 1 -44.422 23.936 0.798 1.00 70.61 O HETATM 2030 O HOH 2 -50.437 6.558 19.276 1.00 71.92 O HETATM 2031 O HOH 3 -30.068 2.046 18.763 1.00 75.95 O HETATM 2032 O HOH 4 -42.291 10.388 14.608 1.00 54.89 O HETATM 2033 O HOH 5 -34.927 19.748 13.422 1.00 57.69 O HETATM 2034 O HOH 6 -48.253 -5.062 8.563 1.00 81.60 O HETATM 2035 O HOH 7 -51.801 15.490 19.714 1.00 70.61 O HETATM 2036 O HOH 8 -30.840 1.817 -1.702 1.00 65.20 O HETATM 2037 O HOH 9 -32.866 24.641 -4.256 1.00 73.20 O HETATM 2038 O HOH 10 -32.873 -5.056 2.289 1.00 67.44 O HETATM 2039 O HOH 11 -32.883 -1.276 1.461 1.00 78.53 O HETATM 2040 O HOH 12 -33.881 -2.166 -0.554 1.00 67.87 O HETATM 2041 O HOH 13 -32.966 23.532 0.166 1.00 50.37 O HETATM 2042 O HOH 14 -49.443 -4.666 10.726 1.00 54.27 O HETATM 2043 O HOH 15 -38.549 18.322 -6.071 1.00 51.00 O HETATM 2044 O HOH 16 -33.784 10.895 25.953 1.00 51.62 O HETATM 2045 O HOH 17 -55.783 10.479 6.695 1.00 49.21 O HETATM 2046 O HOH 18 -41.587 7.918 28.228 1.00 52.36 O HETATM 2047 O HOH 19 -24.277 6.535 8.376 1.00 51.32 O HETATM 2048 O HOH 20 -43.547 -5.977 8.372 1.00 52.60 O HETATM 2049 O HOH 21 -25.604 6.830 11.057 1.00 51.26 O HETATM 2050 C1 SGN A 22 -39.438 -4.987 17.886 1.00 0.18 C HETATM 2051 C2 SGN A 22 -40.818 -4.485 17.460 1.00 0.11 C HETATM 2052 C3 SGN A 22 -41.837 -4.898 18.504 1.00 0.11 C HETATM 2053 C4 SGN A 22 -41.739 -6.383 18.720 1.00 0.11 C HETATM 2054 C5 SGN A 22 -40.326 -6.849 19.049 1.00 0.12 C HETATM 2055 C6 SGN A 22 -40.255 -8.358 19.011 1.00 0.10 C HETATM 2056 O6 SGN A 22 -39.694 -8.744 17.779 1.00 -0.26 O HETATM 2057 S2 SGN A 22 -38.934 -10.090 17.747 1.00 -0.07 S HETATM 2058 O4S SGN A 22 -38.702 -10.458 16.366 1.00 -0.46 O HETATM 2059 O5S SGN A 22 -39.828 -11.001 18.410 1.00 -0.46 O HETATM 2060 O6S SGN A 22 -37.693 -9.942 18.496 1.00 -0.46 O HETATM 2061 H SGN A 22 -41.254 -8.782 19.116 1.00 0.06 H HETATM 2062 H SGN A 22 -39.639 -8.724 19.833 1.00 0.06 H HETATM 2063 O5 SGN A 22 -39.417 -6.388 18.088 1.00 -0.34 O HETATM 2064 H SGN A 22 -40.079 -6.461 20.037 1.00 0.06 H HETATM 2065 O4 SGN A 22 -42.611 -6.583 19.794 1.00 -0.39 O HETATM 2066 H SGN A 22 -43.489 -6.279 19.553 1.00 0.21 H HETATM 2067 H SGN A 22 -41.992 -6.955 17.827 1.00 0.06 H HETATM 2068 O3 SGN A 22 -43.169 -4.657 18.112 1.00 -0.39 O HETATM 2069 H SGN A 22 -43.764 -4.949 18.807 1.00 0.21 H HETATM 2070 H SGN A 22 -41.612 -4.310 19.394 1.00 0.06 H HETATM 2071 N SGN A 22 -40.800 -3.050 17.329 1.00 -0.27 N HETATM 2072 S1 SGN A 22 -40.906 -2.412 15.892 1.00 -0.12 S HETATM 2073 O1S SGN A 22 -41.426 -1.084 16.006 1.00 -0.47 O HETATM 2074 O2S SGN A 22 -41.820 -3.266 15.210 1.00 -0.47 O HETATM 2075 O3S SGN A 22 -39.612 -2.465 15.279 1.00 -0.47 O HETATM 2076 H SGN A 22 -40.720 -2.456 18.154 1.00 0.16 H HETATM 2077 H SGN A 22 -41.085 -4.919 16.497 1.00 0.06 H HETATM 2078 O4 SGN A 22 -39.044 -4.356 19.076 1.00 -0.34 O HETATM 2079 C4 SGN A 22 -37.785 -3.666 19.536 1.00 0.13 C HETATM 2080 C3 SGN A 22 -37.617 -2.365 18.828 1.00 0.12 C HETATM 2081 C2 SGN A 22 -38.137 -1.163 19.549 1.00 0.16 C HETATM 2082 C1 SGN A 22 -38.042 -1.250 21.050 1.00 0.19 C HETATM 2083 O1 SGN A 22 -37.000 -0.762 21.501 1.00 -0.35 O HETATM 2084 C7 SGN A 22 -35.673 -0.290 21.637 1.00 0.04 C HETATM 2085 H SGN A 22 -34.977 -1.110 21.460 1.00 0.05 H HETATM 2086 H SGN A 22 -35.494 0.503 20.910 1.00 0.05 H HETATM 2087 H SGN A 22 -35.529 0.100 22.645 1.00 0.05 H HETATM 2088 O5 SGN A 22 -38.439 -2.480 21.620 1.00 -0.33 O HETATM 2089 C5 SGN A 22 -37.773 -3.621 21.056 1.00 0.14 C HETATM 2090 C6 SGN A 22 -38.525 -4.806 21.617 1.00 0.07 C HETATM 2091 O61 SGN A 22 -37.849 -5.661 22.341 1.00 -0.57 O HETATM 2092 O62 SGN A 22 -39.848 -4.607 21.772 1.00 -0.57 O HETATM 2093 H SGN A 22 -36.714 -3.600 21.314 1.00 0.08 H HETATM 2094 H SGN A 22 -38.831 -0.589 21.410 1.00 0.09 H HETATM 2095 O2 SGN A 22 -39.523 -0.915 19.229 1.00 -0.25 O HETATM 2096 S SGN A 22 -40.107 0.456 19.484 1.00 -0.07 S HETATM 2097 OS1 SGN A 22 -41.574 0.357 19.443 1.00 -0.46 O HETATM 2098 OS2 SGN A 22 -39.643 1.365 18.413 1.00 -0.46 O HETATM 2099 OS3 SGN A 22 -39.625 0.999 20.798 1.00 -0.46 O HETATM 2100 H SGN A 22 -37.493 -0.353 19.206 1.00 0.07 H HETATM 2101 O3 SGN A 22 -36.177 -2.136 18.540 1.00 -0.39 O HETATM 2102 H SGN A 22 -36.082 -1.353 17.993 1.00 0.21 H HETATM 2103 H SGN A 22 -38.218 -2.466 17.925 1.00 0.07 H HETATM 2104 H SGN A 22 -36.889 -4.223 19.261 1.00 0.07 H HETATM 2105 H SGN A 22 -38.748 -4.746 17.077 1.00 0.09 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 2050 2051 2063 2078 2105 CONECT 2051 2050 2052 2071 2077 CONECT 2052 2051 2053 2068 2070 CONECT 2053 2052 2054 2065 2067 CONECT 2054 2053 2055 2063 2064 CONECT 2055 2054 2056 2061 2062 CONECT 2056 2055 2057 CONECT 2057 2056 2058 2059 2060 CONECT 2058 2057 CONECT 2059 2057 CONECT 2060 2057 CONECT 2061 2055 CONECT 2062 2055 CONECT 2063 2050 2054 CONECT 2064 2054 CONECT 2065 2053 2066 CONECT 2066 2065 CONECT 2067 2053 CONECT 2068 2052 2069 CONECT 2069 2068 CONECT 2070 2052 CONECT 2071 2051 2072 2076 CONECT 2072 2071 2073 2074 2075 CONECT 2073 2072 CONECT 2074 2072 CONECT 2075 2072 CONECT 2076 2071 CONECT 2077 2051 CONECT 2078 2050 2079 CONECT 2079 2078 2080 2089 2104 CONECT 2080 2079 2081 2101 2103 CONECT 2081 2080 2082 2095 2100 CONECT 2082 2081 2083 2088 2094 CONECT 2083 2082 2084 CONECT 2084 2083 2085 2086 2087 CONECT 2085 2084 CONECT 2086 2084 CONECT 2087 2084 CONECT 2088 2082 2089 CONECT 2089 2079 2088 2090 2093 CONECT 2090 2089 2091 2092 CONECT 2091 2090 CONECT 2092 2090 CONECT 2093 2089 CONECT 2094 2082 CONECT 2095 2081 2096 CONECT 2096 2095 2097 2098 2099 CONECT 2097 2096 CONECT 2098 2096 CONECT 2099 2096 CONECT 2100 2081 CONECT 2101 2080 2102 CONECT 2102 2101 CONECT 2103 2080 CONECT 2104 2079 CONECT 2105 2050 MASTER 0 0 0 0 0 0 0 0 2104 1 60 10 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 3ud9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1djs
RCSB PDB
PDBbind
135aa, >1DJS_2|Chain... at 100%
1ry7
RCSB PDB
PDBbind
155aa, >1RY7_1|Chain... *
3oj2
RCSB PDB
PDBbind
155aa, >3OJ2_1|Chains... at 100%
3ojm
RCSB PDB
PDBbind
155aa, >3OJM_1|Chain... at 100%
3ud7
RCSB PDB
PDBbind
141aa, >3UD7_1|Chains... at 99%
3ud8
RCSB PDB
PDBbind
141aa, >3UD8_1|Chains... at 99%
3uda
RCSB PDB
PDBbind
141aa, >3UDA_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4oef
RCSB PDB
PDBbind
SGN-IDY
Entry Information
PDB ID
3ud9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heparin-binding growth factor 1
Ligand Name
SGN-IDY
EC.Number
E.C.-.-.-.-
Resolution
2.34(Å)
Affinity (Kd/Ki/IC50)
Kd=21.2uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Am.Chem.Soc. Vol. 134: pp. 20722-20727
Ligand Properties
Formula
C
1
3
H
2
9
NO
2
0
S
3
Molecular Weight
615.559
Exact Mass
615.045
No. of atoms
66
No. of bonds
67
Polar Surface Area
423.37
LOGP Value
-4.80 (
Computed with XLOGP3
)
-1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(O)(O)O)O)O[C@H]1O[C@H](COS(O)(O)O)[C@H]([C@@H]([C@H]1NS(O)(O)O)O)O
InChI String
InChI=1S/C13H29NO20S3/c1-29-13-9(34-37(26,27)28)7(17)8(10(33-13)11(18)19)32-12-4(14-35(20,21)22)6(16)5(15)3(31-12)2-30-36(23,24)25/h3-10,12-17,20-28H,2H2,1H3,(H,18,19)/t3-,4-,5-,6-,7+,8+,9-,10-,12-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P05230
Entrez Gene ID
NCBI Entrez Gene ID:
2246
ASD
Information of known allosteric effects of PDB entries
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