Browse entries in the PDBbind-CN Database
HEADER 3UDA_COMPLEX COMPND 3UDA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 127 PRO LYS LEU LEU TYR CYS SER ASN GLY GLY HIS PHE LEU SEQRES 2 B 127 ARG ILE LEU PRO ASP GLY THR VAL ASP GLY THR ARG ASP SEQRES 3 B 127 ARG SER ASP GLN HIS ILE GLN LEU GLN LEU SER ALA GLU SEQRES 4 B 127 SER VAL GLY GLU VAL TYR ILE LYS SER THR GLU THR GLY SEQRES 5 B 127 GLN TYR LEU ALA MET ASP THR ASP GLY LEU LEU TYR GLY SEQRES 6 B 127 SER GLN THR PRO ASN GLU GLU CYS LEU PHE LEU GLU ARG SEQRES 7 B 127 LEU GLU GLU ASN HIS TYR ASN THR TYR ILE SER LYS LYS SEQRES 8 B 127 HIS ALA GLU LYS ASN TRP PHE VAL GLY LEU LYS LYS ASN SEQRES 9 B 127 GLY SER CYS LYS ARG GLY PRO ARG THR HIS TYR GLY GLN SEQRES 10 B 127 LYS ALA ILE LEU PHE LEU PRO LEU PRO VAL HET SUS A 140 59 ATOM 1 N PRO B 11 -17.015 -12.564 27.472 1.00 50.74 N ATOM 2 CA PRO B 11 -17.625 -11.296 26.984 1.00 50.47 C ATOM 3 C PRO B 11 -16.929 -10.074 27.593 1.00 49.81 C ATOM 4 O PRO B 11 -16.846 -9.940 28.819 1.00 50.53 O ATOM 5 CB PRO B 11 -19.089 -11.388 27.443 1.00 50.63 C ATOM 6 CG PRO B 11 -19.193 -12.705 28.240 1.00 53.32 C ATOM 7 CD PRO B 11 -17.792 -13.176 28.549 1.00 52.26 C ATOM 8 HA PRO B 11 -17.531 -11.176 25.905 1.00 0.00 H ATOM 9 HD3 PRO B 11 -17.462 -12.821 29.525 1.00 0.00 H ATOM 10 HD2 PRO B 11 -17.724 -14.263 28.517 1.00 0.00 H ATOM 11 HG3 PRO B 11 -19.714 -13.457 27.647 1.00 0.00 H ATOM 12 HG2 PRO B 11 -19.739 -12.534 29.168 1.00 0.00 H ATOM 13 HB2 PRO B 11 -19.343 -10.538 28.077 1.00 0.00 H ATOM 14 HB3 PRO B 11 -19.757 -11.410 26.582 1.00 0.00 H ATOM 15 N LYS B 12 -16.396 -9.212 26.739 1.00 48.12 N ATOM 16 CA LYS B 12 -15.504 -8.165 27.212 1.00 46.85 C ATOM 17 C LYS B 12 -15.736 -6.895 26.469 1.00 44.68 C ATOM 18 O LYS B 12 -16.292 -6.911 25.364 1.00 44.44 O ATOM 19 CB LYS B 12 -14.049 -8.572 26.994 1.00 47.41 C ATOM 20 CG LYS B 12 -13.569 -9.752 27.833 1.00 49.59 C ATOM 21 CD LYS B 12 -12.324 -10.306 27.171 1.00 51.99 C ATOM 22 CE LYS B 12 -11.551 -11.219 28.101 1.00 57.95 C ATOM 23 NZ LYS B 12 -12.347 -12.373 28.607 1.00 57.78 N ATOM 24 HA LYS B 12 -15.706 -8.018 28.273 1.00 0.00 H ATOM 25 HB2 LYS B 12 -13.926 -8.834 25.943 1.00 0.00 H ATOM 26 HB3 LYS B 12 -13.420 -7.713 27.229 1.00 0.00 H ATOM 27 HG2 LYS B 12 -13.336 -9.419 28.845 1.00 0.00 H ATOM 28 HG3 LYS B 12 -14.342 -10.519 27.873 1.00 0.00 H ATOM 29 HD2 LYS B 12 -12.616 -10.870 26.285 1.00 0.00 H ATOM 30 HD3 LYS B 12 -11.682 -9.476 26.876 1.00 0.00 H ATOM 31 HE2 LYS B 12 -11.212 -10.633 28.956 1.00 0.00 H ATOM 32 HE3 LYS B 12 -10.686 -11.607 27.562 1.00 0.00 H ATOM 33 HZ1 LYS B 12 -13.171 -12.020 29.134 1.00 0.00 H ATOM 34 HZ2 LYS B 12 -12.669 -12.950 27.803 1.00 0.00 H ATOM 35 HZ3 LYS B 12 -11.755 -12.952 29.236 1.00 0.00 H ATOM 36 H LYS B 12 -16.617 -9.285 25.725 1.00 0.00 H ATOM 37 N LEU B 13 -15.290 -5.797 27.070 1.00 42.31 N ATOM 38 CA LEU B 13 -15.082 -4.560 26.350 1.00 40.81 C ATOM 39 C LEU B 13 -13.593 -4.361 26.040 1.00 40.35 C ATOM 40 O LEU B 13 -12.736 -4.796 26.814 1.00 40.98 O ATOM 41 CB LEU B 13 -15.588 -3.371 27.172 1.00 40.69 C ATOM 42 CG LEU B 13 -16.977 -3.566 27.738 1.00 39.39 C ATOM 43 CD1 LEU B 13 -17.201 -2.727 28.978 1.00 38.11 C ATOM 44 CD2 LEU B 13 -17.947 -3.246 26.711 1.00 38.50 C ATOM 45 HA LEU B 13 -15.640 -4.617 25.415 1.00 0.00 H ATOM 46 HB2 LEU B 13 -14.899 -3.208 28.001 1.00 0.00 H ATOM 47 HB3 LEU B 13 -15.599 -2.490 26.531 1.00 0.00 H ATOM 48 HG LEU B 13 -17.093 -4.606 28.042 1.00 0.00 H ATOM 49 HD21 LEU B 13 -17.816 -2.210 26.399 1.00 0.00 H ATOM 50 HD22 LEU B 13 -17.800 -3.905 25.856 1.00 0.00 H ATOM 51 HD23 LEU B 13 -18.953 -3.383 27.108 1.00 0.00 H ATOM 52 HD11 LEU B 13 -16.477 -3.009 29.742 1.00 0.00 H ATOM 53 HD12 LEU B 13 -17.077 -1.673 28.729 1.00 0.00 H ATOM 54 HD13 LEU B 13 -18.210 -2.897 29.352 1.00 0.00 H ATOM 55 H LEU B 13 -15.084 -5.828 28.089 1.00 0.00 H ATOM 56 N LEU B 14 -13.278 -3.703 24.924 1.00 39.26 N ATOM 57 CA LEU B 14 -11.898 -3.329 24.663 1.00 39.31 C ATOM 58 C LEU B 14 -11.707 -1.834 24.784 1.00 39.88 C ATOM 59 O LEU B 14 -12.150 -1.037 23.944 1.00 38.68 O ATOM 60 CB LEU B 14 -11.401 -3.845 23.315 1.00 38.93 C ATOM 61 CG LEU B 14 -11.181 -5.377 23.214 1.00 40.67 C ATOM 62 CD1 LEU B 14 -10.695 -5.749 21.813 1.00 39.34 C ATOM 63 CD2 LEU B 14 -10.223 -5.905 24.275 1.00 40.48 C ATOM 64 HA LEU B 14 -11.288 -3.811 25.427 1.00 0.00 H ATOM 65 HB2 LEU B 14 -12.133 -3.562 22.559 1.00 0.00 H ATOM 66 HB3 LEU B 14 -10.451 -3.356 23.100 1.00 0.00 H ATOM 67 HG LEU B 14 -12.144 -5.853 23.399 1.00 0.00 H ATOM 68 HD21 LEU B 14 -9.254 -5.420 24.161 1.00 0.00 H ATOM 69 HD22 LEU B 14 -10.625 -5.689 25.265 1.00 0.00 H ATOM 70 HD23 LEU B 14 -10.108 -6.982 24.155 1.00 0.00 H ATOM 71 HD11 LEU B 14 -11.441 -5.446 21.079 1.00 0.00 H ATOM 72 HD12 LEU B 14 -9.754 -5.238 21.609 1.00 0.00 H ATOM 73 HD13 LEU B 14 -10.545 -6.827 21.756 1.00 0.00 H ATOM 74 H LEU B 14 -14.021 -3.457 24.239 1.00 0.00 H ATOM 75 N TYR B 15 -11.037 -1.449 25.844 1.00 40.62 N ATOM 76 CA TYR B 15 -10.862 -0.062 26.071 1.00 41.67 C ATOM 77 C TYR B 15 -9.502 0.425 25.531 1.00 42.61 C ATOM 78 O TYR B 15 -8.421 0.009 25.978 1.00 41.90 O ATOM 79 CB TYR B 15 -11.112 0.249 27.541 1.00 41.32 C ATOM 80 CG TYR B 15 -10.714 1.622 27.920 1.00 43.27 C ATOM 81 CD1 TYR B 15 -11.612 2.683 27.816 1.00 44.53 C ATOM 82 CD2 TYR B 15 -9.416 1.887 28.366 1.00 41.69 C ATOM 83 CE1 TYR B 15 -11.228 3.962 28.160 1.00 45.92 C ATOM 84 CE2 TYR B 15 -9.034 3.140 28.694 1.00 43.30 C ATOM 85 CZ TYR B 15 -9.926 4.185 28.592 1.00 44.50 C ATOM 86 OH TYR B 15 -9.516 5.452 28.960 1.00 46.17 O ATOM 87 HA TYR B 15 -11.600 0.508 25.507 1.00 0.00 H ATOM 88 HB3 TYR B 15 -10.544 -0.457 28.147 1.00 0.00 H ATOM 89 HB2 TYR B 15 -12.176 0.127 27.746 1.00 0.00 H ATOM 90 HD2 TYR B 15 -8.701 1.069 28.450 1.00 0.00 H ATOM 91 HE2 TYR B 15 -8.017 3.325 29.040 1.00 0.00 H ATOM 92 HE1 TYR B 15 -11.937 4.788 28.094 1.00 0.00 H ATOM 93 HD1 TYR B 15 -12.626 2.500 27.460 1.00 0.00 H ATOM 94 HH TYR B 15 -10.262 6.090 28.831 1.00 0.00 H ATOM 95 H TYR B 15 -10.642 -2.148 26.505 1.00 0.00 H ATOM 96 N CYS B 16 -9.570 1.301 24.548 1.00 44.83 N ATOM 97 CA CYS B 16 -8.366 1.825 23.938 1.00 47.36 C ATOM 98 C CYS B 16 -7.816 2.900 24.793 1.00 49.11 C ATOM 99 O CYS B 16 -8.542 3.763 25.258 1.00 50.36 O ATOM 100 CB CYS B 16 -8.637 2.371 22.538 1.00 47.65 C ATOM 101 SG CYS B 16 -7.147 2.849 21.644 1.00 50.76 S ATOM 102 HA CYS B 16 -7.647 1.011 23.845 1.00 0.00 H ATOM 103 HB2 CYS B 16 -9.280 3.247 22.629 1.00 0.00 H ATOM 104 HB3 CYS B 16 -9.152 1.602 21.962 1.00 0.00 H ATOM 105 HG CYS B 16 -7.494 3.327 20.397 1.00 0.00 H ATOM 106 H CYS B 16 -10.499 1.619 24.207 1.00 0.00 H ATOM 107 N SER B 17 -6.515 2.852 25.011 1.00 50.82 N ATOM 108 CA SER B 17 -5.881 3.825 25.858 1.00 53.34 C ATOM 109 C SER B 17 -5.778 5.236 25.238 1.00 53.15 C ATOM 110 O SER B 17 -5.673 6.219 25.941 1.00 54.29 O ATOM 111 CB SER B 17 -4.515 3.328 26.277 1.00 54.06 C ATOM 112 OG SER B 17 -4.267 3.764 27.603 1.00 60.25 O ATOM 113 HA SER B 17 -6.526 3.937 26.729 1.00 0.00 H ATOM 114 HB2 SER B 17 -3.755 3.732 25.608 1.00 0.00 H ATOM 115 HB3 SER B 17 -4.491 2.239 26.237 1.00 0.00 H ATOM 116 HG SER B 17 -4.961 3.396 28.205 1.00 0.00 H ATOM 117 H SER B 17 -5.944 2.105 24.567 1.00 0.00 H ATOM 118 N ASN B 18 -5.765 5.298 23.919 1.00 52.57 N ATOM 119 CA ASN B 18 -5.668 6.545 23.179 1.00 52.87 C ATOM 120 C ASN B 18 -7.090 7.079 23.018 1.00 53.10 C ATOM 121 O ASN B 18 -7.926 6.431 22.357 1.00 52.69 O ATOM 122 CB ASN B 18 -5.065 6.239 21.807 1.00 52.10 C ATOM 123 CG ASN B 18 -4.620 7.475 21.060 1.00 51.84 C ATOM 124 OD1 ASN B 18 -4.027 8.386 21.633 1.00 50.57 O ATOM 125 ND2 ASN B 18 -4.876 7.493 19.744 1.00 50.58 N ATOM 126 HA ASN B 18 -5.043 7.278 23.689 1.00 0.00 H ATOM 127 HB2 ASN B 18 -4.201 5.589 21.946 1.00 0.00 H ATOM 128 HB3 ASN B 18 -5.814 5.723 21.207 1.00 0.00 H ATOM 129 HD22 ASN B 18 -5.381 6.699 19.302 1.00 0.00 H ATOM 130 HD21 ASN B 18 -4.569 8.301 19.166 1.00 0.00 H ATOM 131 H ASN B 18 -5.827 4.409 23.382 1.00 0.00 H ATOM 132 N GLY B 19 -7.397 8.214 23.649 1.00 52.94 N ATOM 133 CA GLY B 19 -8.766 8.747 23.567 1.00 52.10 C ATOM 134 C GLY B 19 -9.810 8.195 24.533 1.00 50.49 C ATOM 135 O GLY B 19 -10.775 8.875 24.863 1.00 52.11 O ATOM 136 HA3 GLY B 19 -9.128 8.558 22.556 1.00 0.00 H ATOM 137 HA2 GLY B 19 -8.706 9.822 23.735 1.00 0.00 H ATOM 138 H GLY B 19 -6.672 8.720 24.196 1.00 0.00 H ATOM 139 N GLY B 20 -9.658 6.955 24.961 1.00 48.70 N ATOM 140 CA GLY B 20 -10.582 6.376 25.933 1.00 46.40 C ATOM 141 C GLY B 20 -11.818 5.736 25.303 1.00 44.95 C ATOM 142 O GLY B 20 -12.873 5.708 25.922 1.00 46.07 O ATOM 143 HA3 GLY B 20 -10.910 7.166 26.609 1.00 0.00 H ATOM 144 HA2 GLY B 20 -10.050 5.612 26.500 1.00 0.00 H ATOM 145 H GLY B 20 -8.868 6.382 24.601 1.00 0.00 H ATOM 146 N HIS B 21 -11.679 5.217 24.087 1.00 42.32 N ATOM 147 CA HIS B 21 -12.772 4.605 23.355 1.00 40.09 C ATOM 148 C HIS B 21 -12.746 3.080 23.474 1.00 39.18 C ATOM 149 O HIS B 21 -11.682 2.472 23.468 1.00 38.00 O ATOM 150 CB HIS B 21 -12.641 4.955 21.882 1.00 39.63 C ATOM 151 CG HIS B 21 -12.678 6.427 21.611 1.00 40.99 C ATOM 152 ND1 HIS B 21 -11.542 7.194 21.513 1.00 41.65 N ATOM 153 CD2 HIS B 21 -13.716 7.276 21.449 1.00 40.07 C ATOM 154 CE1 HIS B 21 -11.880 8.450 21.298 1.00 42.16 C ATOM 155 NE2 HIS B 21 -13.193 8.525 21.256 1.00 40.18 N ATOM 156 HA HIS B 21 -13.705 4.980 23.776 1.00 0.00 H ATOM 157 HB2 HIS B 21 -11.693 4.561 21.517 1.00 0.00 H ATOM 158 HB3 HIS B 21 -13.462 4.484 21.341 1.00 0.00 H ATOM 159 HD2 HIS B 21 -14.774 7.014 21.468 1.00 0.00 H ATOM 160 HE1 HIS B 21 -11.189 9.284 21.176 1.00 0.00 H ATOM 161 H HIS B 21 -10.741 5.251 23.639 1.00 0.00 H ATOM 162 N PHE B 22 -13.939 2.487 23.542 1.00 38.19 N ATOM 163 CA PHE B 22 -14.146 1.064 23.482 1.00 36.67 C ATOM 164 C PHE B 22 -14.308 0.664 22.014 1.00 37.80 C ATOM 165 O PHE B 22 -14.910 1.436 21.184 1.00 38.68 O ATOM 166 CB PHE B 22 -15.420 0.668 24.235 1.00 36.40 C ATOM 167 CG PHE B 22 -15.478 1.143 25.660 1.00 36.31 C ATOM 168 CD1 PHE B 22 -14.940 0.364 26.693 1.00 35.78 C ATOM 169 CD2 PHE B 22 -16.070 2.377 25.986 1.00 38.93 C ATOM 170 CE1 PHE B 22 -14.982 0.787 28.035 1.00 34.44 C ATOM 171 CE2 PHE B 22 -16.125 2.827 27.348 1.00 38.03 C ATOM 172 CZ PHE B 22 -15.590 2.028 28.369 1.00 36.80 C ATOM 173 HA PHE B 22 -13.294 0.561 23.939 1.00 0.00 H ATOM 174 HB2 PHE B 22 -16.274 1.086 23.702 1.00 0.00 H ATOM 175 HB3 PHE B 22 -15.491 -0.420 24.236 1.00 0.00 H ATOM 176 HD2 PHE B 22 -16.492 2.998 25.196 1.00 0.00 H ATOM 177 HE2 PHE B 22 -16.581 3.787 27.588 1.00 0.00 H ATOM 178 HZ PHE B 22 -15.640 2.355 29.408 1.00 0.00 H ATOM 179 HE1 PHE B 22 -14.549 0.164 28.817 1.00 0.00 H ATOM 180 HD1 PHE B 22 -14.478 -0.593 26.452 1.00 0.00 H ATOM 181 H PHE B 22 -14.777 3.094 23.645 1.00 0.00 H ATOM 182 N LEU B 23 -13.788 -0.522 21.670 1.00 36.04 N ATOM 183 CA LEU B 23 -13.828 -0.960 20.309 1.00 35.68 C ATOM 184 C LEU B 23 -15.275 -1.330 19.994 1.00 36.99 C ATOM 185 O LEU B 23 -15.923 -1.959 20.809 1.00 37.19 O ATOM 186 CB LEU B 23 -12.898 -2.154 20.102 1.00 34.63 C ATOM 187 CG LEU B 23 -12.065 -2.323 18.826 1.00 31.63 C ATOM 188 CD1 LEU B 23 -11.572 -3.742 18.712 1.00 35.54 C ATOM 189 CD2 LEU B 23 -12.814 -2.038 17.654 1.00 32.22 C ATOM 190 HA LEU B 23 -13.486 -0.171 19.639 1.00 0.00 H ATOM 191 HB2 LEU B 23 -12.189 -2.136 20.930 1.00 0.00 H ATOM 192 HB3 LEU B 23 -13.522 -3.044 20.179 1.00 0.00 H ATOM 193 HG LEU B 23 -11.236 -1.620 18.903 1.00 0.00 H ATOM 194 HD21 LEU B 23 -13.666 -2.716 17.595 1.00 0.00 H ATOM 195 HD22 LEU B 23 -13.169 -1.008 17.693 1.00 0.00 H ATOM 196 HD23 LEU B 23 -12.180 -2.172 16.778 1.00 0.00 H ATOM 197 HD11 LEU B 23 -10.954 -3.981 19.577 1.00 0.00 H ATOM 198 HD12 LEU B 23 -12.425 -4.420 18.675 1.00 0.00 H ATOM 199 HD13 LEU B 23 -10.982 -3.848 17.802 1.00 0.00 H ATOM 200 H LEU B 23 -13.353 -1.127 22.396 1.00 0.00 H ATOM 201 N ARG B 24 -15.749 -0.950 18.796 1.00 38.33 N ATOM 202 CA ARG B 24 -17.161 -1.052 18.379 1.00 39.89 C ATOM 203 C ARG B 24 -17.236 -1.520 16.939 1.00 41.71 C ATOM 204 O ARG B 24 -16.685 -0.859 16.015 1.00 41.37 O ATOM 205 CB ARG B 24 -17.835 0.323 18.457 1.00 40.54 C ATOM 206 CG ARG B 24 -19.306 0.305 18.154 1.00 43.09 C ATOM 207 CD ARG B 24 -20.007 1.645 18.436 1.00 45.84 C ATOM 208 NE ARG B 24 -19.465 2.760 17.664 1.00 50.24 N ATOM 209 CZ ARG B 24 -19.995 3.987 17.627 1.00 51.97 C ATOM 210 NH1 ARG B 24 -21.095 4.269 18.307 1.00 53.92 N ATOM 211 NH2 ARG B 24 -19.426 4.933 16.899 1.00 51.59 N ATOM 212 HA ARG B 24 -17.663 -1.758 19.041 1.00 0.00 H ATOM 213 HB2 ARG B 24 -17.698 0.715 19.465 1.00 0.00 H ATOM 214 HB3 ARG B 24 -17.346 0.985 17.742 1.00 0.00 H ATOM 215 HG2 ARG B 24 -19.438 0.061 17.100 1.00 0.00 H ATOM 216 HG3 ARG B 24 -19.775 -0.466 18.766 1.00 0.00 H ATOM 217 HD2 ARG B 24 -19.900 1.875 19.496 1.00 0.00 H ATOM 218 HD3 ARG B 24 -21.064 1.539 18.194 1.00 0.00 H ATOM 219 HE ARG B 24 -18.606 2.587 17.103 1.00 0.00 H ATOM 220 HH12 ARG B 24 -21.498 5.227 18.270 1.00 0.00 H ATOM 221 HH11 ARG B 24 -21.557 3.532 18.878 1.00 0.00 H ATOM 222 HH22 ARG B 24 -19.839 5.887 16.871 1.00 0.00 H ATOM 223 HH21 ARG B 24 -18.565 4.723 16.354 1.00 0.00 H ATOM 224 H ARG B 24 -15.072 -0.555 18.113 1.00 0.00 H ATOM 225 N ILE B 25 -17.912 -2.650 16.730 1.00 43.22 N ATOM 226 CA ILE B 25 -18.308 -3.044 15.385 1.00 46.08 C ATOM 227 C ILE B 25 -19.735 -2.628 15.091 1.00 48.16 C ATOM 228 O ILE B 25 -20.694 -3.204 15.647 1.00 48.85 O ATOM 229 CB ILE B 25 -18.167 -4.541 15.107 1.00 46.20 C ATOM 230 CG1 ILE B 25 -16.771 -5.055 15.511 1.00 45.39 C ATOM 231 CG2 ILE B 25 -18.398 -4.790 13.610 1.00 46.91 C ATOM 232 CD1 ILE B 25 -16.699 -6.639 15.657 1.00 42.34 C ATOM 233 HA ILE B 25 -17.613 -2.522 14.727 1.00 0.00 H ATOM 234 HB ILE B 25 -18.906 -5.080 15.700 1.00 0.00 H ATOM 235 HG12 ILE B 25 -16.055 -4.745 14.750 1.00 0.00 H ATOM 236 HG13 ILE B 25 -16.501 -4.607 16.467 1.00 0.00 H ATOM 237 HD11 ILE B 25 -17.403 -6.964 16.423 1.00 0.00 H ATOM 238 HD12 ILE B 25 -16.957 -7.102 14.705 1.00 0.00 H ATOM 239 HD13 ILE B 25 -15.688 -6.931 15.943 1.00 0.00 H ATOM 240 HG21 ILE B 25 -19.399 -4.456 13.338 1.00 0.00 H ATOM 241 HG22 ILE B 25 -17.659 -4.235 13.032 1.00 0.00 H ATOM 242 HG23 ILE B 25 -18.300 -5.855 13.401 1.00 0.00 H ATOM 243 H ILE B 25 -18.160 -3.257 17.537 1.00 0.00 H ATOM 244 N LEU B 26 -19.882 -1.632 14.219 1.00 49.87 N ATOM 245 CA LEU B 26 -21.213 -1.120 13.880 1.00 51.94 C ATOM 246 C LEU B 26 -21.948 -2.004 12.892 1.00 53.10 C ATOM 247 O LEU B 26 -21.313 -2.673 12.095 1.00 52.86 O ATOM 248 CB LEU B 26 -21.096 0.273 13.300 1.00 52.91 C ATOM 249 CG LEU B 26 -20.761 1.353 14.300 1.00 52.14 C ATOM 250 CD1 LEU B 26 -20.486 2.603 13.542 1.00 52.81 C ATOM 251 CD2 LEU B 26 -21.958 1.519 15.198 1.00 53.87 C ATOM 252 HA LEU B 26 -21.789 -1.106 14.805 1.00 0.00 H ATOM 253 HB2 LEU B 26 -20.313 0.259 12.541 1.00 0.00 H ATOM 254 HB3 LEU B 26 -22.048 0.527 12.834 1.00 0.00 H ATOM 255 HG LEU B 26 -19.888 1.106 14.904 1.00 0.00 H ATOM 256 HD21 LEU B 26 -22.823 1.806 14.599 1.00 0.00 H ATOM 257 HD22 LEU B 26 -22.163 0.577 15.706 1.00 0.00 H ATOM 258 HD23 LEU B 26 -21.752 2.294 15.936 1.00 0.00 H ATOM 259 HD11 LEU B 26 -19.647 2.439 12.865 1.00 0.00 H ATOM 260 HD12 LEU B 26 -21.370 2.879 12.967 1.00 0.00 H ATOM 261 HD13 LEU B 26 -20.240 3.403 14.240 1.00 0.00 H ATOM 262 H LEU B 26 -19.042 -1.212 13.773 1.00 0.00 H ATOM 263 N PRO B 27 -23.302 -1.965 12.898 1.00 55.18 N ATOM 264 CA PRO B 27 -24.079 -2.685 11.862 1.00 57.09 C ATOM 265 C PRO B 27 -23.759 -2.326 10.391 1.00 58.39 C ATOM 266 O PRO B 27 -23.976 -3.159 9.542 1.00 59.77 O ATOM 267 CB PRO B 27 -25.536 -2.326 12.190 1.00 57.80 C ATOM 268 CG PRO B 27 -25.455 -1.035 12.892 1.00 57.75 C ATOM 269 CD PRO B 27 -24.195 -1.166 13.756 1.00 55.86 C ATOM 270 HA PRO B 27 -23.836 -3.747 11.904 1.00 0.00 H ATOM 271 HD3 PRO B 27 -23.763 -0.189 13.974 1.00 0.00 H ATOM 272 HD2 PRO B 27 -24.410 -1.683 14.691 1.00 0.00 H ATOM 273 HG3 PRO B 27 -26.337 -0.874 13.513 1.00 0.00 H ATOM 274 HG2 PRO B 27 -25.356 -0.213 12.183 1.00 0.00 H ATOM 275 HB2 PRO B 27 -26.124 -2.231 11.277 1.00 0.00 H ATOM 276 HB3 PRO B 27 -25.984 -3.085 12.831 1.00 0.00 H ATOM 277 N ASP B 28 -23.264 -1.124 10.088 1.00 58.81 N ATOM 278 CA ASP B 28 -22.870 -0.844 8.707 1.00 61.09 C ATOM 279 C ASP B 28 -21.625 -1.636 8.253 1.00 60.66 C ATOM 280 O ASP B 28 -21.264 -1.629 7.063 1.00 61.05 O ATOM 281 CB ASP B 28 -22.810 0.673 8.359 1.00 62.64 C ATOM 282 CG ASP B 28 -22.128 1.508 9.418 1.00 63.68 C ATOM 283 OD1 ASP B 28 -20.885 1.486 9.473 1.00 67.96 O ATOM 284 OD2 ASP B 28 -22.824 2.218 10.178 1.00 64.55 O ATOM 285 HA ASP B 28 -23.690 -1.228 8.100 1.00 0.00 H ATOM 286 HB2 ASP B 28 -22.265 0.791 7.422 1.00 0.00 H ATOM 287 HB3 ASP B 28 -23.829 1.039 8.234 1.00 0.00 H ATOM 288 H ASP B 28 -23.160 -0.396 10.824 1.00 0.00 H ATOM 289 N GLY B 29 -21.014 -2.354 9.202 1.00 59.52 N ATOM 290 CA GLY B 29 -19.796 -3.142 8.950 1.00 58.56 C ATOM 291 C GLY B 29 -18.538 -2.372 9.296 1.00 57.91 C ATOM 292 O GLY B 29 -17.419 -2.895 9.282 1.00 58.32 O ATOM 293 HA3 GLY B 29 -19.764 -3.412 7.895 1.00 0.00 H ATOM 294 HA2 GLY B 29 -19.832 -4.048 9.555 1.00 0.00 H ATOM 295 H GLY B 29 -21.417 -2.356 10.161 1.00 0.00 H ATOM 296 N THR B 30 -18.729 -1.115 9.626 1.00 57.86 N ATOM 297 CA THR B 30 -17.658 -0.275 10.104 1.00 56.56 C ATOM 298 C THR B 30 -17.184 -0.641 11.519 1.00 54.20 C ATOM 299 O THR B 30 -17.961 -1.102 12.365 1.00 53.08 O ATOM 300 CB THR B 30 -18.112 1.212 10.045 1.00 57.37 C ATOM 301 OG1 THR B 30 -18.357 1.552 8.679 1.00 58.80 O ATOM 302 CG2 THR B 30 -17.054 2.145 10.588 1.00 58.52 C ATOM 303 HA THR B 30 -16.800 -0.435 9.452 1.00 0.00 H ATOM 304 HB THR B 30 -19.008 1.322 10.656 1.00 0.00 H ATOM 305 HG1 THR B 30 -19.067 0.965 8.316 1.00 0.00 H ATOM 306 HG23 THR B 30 -16.855 1.899 11.631 1.00 0.00 H ATOM 307 HG21 THR B 30 -16.139 2.033 10.006 1.00 0.00 H ATOM 308 HG22 THR B 30 -17.408 3.174 10.517 1.00 0.00 H ATOM 309 H THR B 30 -19.684 -0.712 9.540 1.00 0.00 H ATOM 310 N VAL B 31 -15.891 -0.401 11.750 1.00 54.12 N ATOM 311 CA VAL B 31 -15.271 -0.440 13.069 1.00 52.31 C ATOM 312 C VAL B 31 -14.795 0.966 13.514 1.00 53.39 C ATOM 313 O VAL B 31 -14.386 1.778 12.688 1.00 54.49 O ATOM 314 CB VAL B 31 -14.097 -1.355 13.063 1.00 50.55 C ATOM 315 CG1 VAL B 31 -13.515 -1.456 14.475 1.00 48.98 C ATOM 316 CG2 VAL B 31 -14.517 -2.702 12.547 1.00 50.13 C ATOM 317 HA VAL B 31 -16.026 -0.799 13.769 1.00 0.00 H ATOM 318 HB VAL B 31 -13.321 -0.963 12.405 1.00 0.00 H ATOM 319 HG11 VAL B 31 -13.202 -0.467 14.809 1.00 0.00 H ATOM 320 HG12 VAL B 31 -14.275 -1.846 15.153 1.00 0.00 H ATOM 321 HG13 VAL B 31 -12.656 -2.127 14.465 1.00 0.00 H ATOM 322 HG21 VAL B 31 -15.295 -3.111 13.192 1.00 0.00 H ATOM 323 HG22 VAL B 31 -14.903 -2.597 11.533 1.00 0.00 H ATOM 324 HG23 VAL B 31 -13.657 -3.372 12.543 1.00 0.00 H ATOM 325 H VAL B 31 -15.286 -0.171 10.936 1.00 0.00 H ATOM 326 N ASP B 32 -14.874 1.229 14.822 1.00 52.58 N ATOM 327 CA ASP B 32 -14.498 2.508 15.405 1.00 52.94 C ATOM 328 C ASP B 32 -14.577 2.420 16.920 1.00 51.13 C ATOM 329 O ASP B 32 -14.731 1.338 17.482 1.00 50.88 O ATOM 330 CB ASP B 32 -15.386 3.651 14.888 1.00 54.83 C ATOM 331 CG ASP B 32 -16.818 3.575 15.418 1.00 58.78 C ATOM 332 OD1 ASP B 32 -17.243 2.489 15.881 1.00 60.63 O ATOM 333 OD2 ASP B 32 -17.533 4.607 15.348 1.00 64.11 O ATOM 334 HA ASP B 32 -13.474 2.731 15.105 1.00 0.00 H ATOM 335 HB2 ASP B 32 -14.949 4.600 15.199 1.00 0.00 H ATOM 336 HB3 ASP B 32 -15.414 3.605 13.799 1.00 0.00 H ATOM 337 H ASP B 32 -15.222 0.481 15.455 1.00 0.00 H ATOM 338 N GLY B 33 -14.461 3.551 17.587 1.00 50.30 N ATOM 339 CA GLY B 33 -14.532 3.553 19.021 1.00 49.16 C ATOM 340 C GLY B 33 -15.658 4.447 19.462 1.00 49.65 C ATOM 341 O GLY B 33 -16.000 5.413 18.783 1.00 50.59 O ATOM 342 HA3 GLY B 33 -13.592 3.921 19.432 1.00 0.00 H ATOM 343 HA2 GLY B 33 -14.711 2.539 19.378 1.00 0.00 H ATOM 344 H GLY B 33 -14.318 4.444 17.073 1.00 0.00 H ATOM 345 N THR B 34 -16.246 4.112 20.598 1.00 49.07 N ATOM 346 CA THR B 34 -17.156 5.010 21.284 1.00 49.27 C ATOM 347 C THR B 34 -16.769 5.094 22.755 1.00 49.20 C ATOM 348 O THR B 34 -16.411 4.078 23.376 1.00 47.66 O ATOM 349 CB THR B 34 -18.636 4.585 21.118 1.00 49.31 C ATOM 350 OG1 THR B 34 -19.459 5.506 21.809 1.00 49.16 O ATOM 351 CG2 THR B 34 -18.890 3.162 21.682 1.00 47.83 C ATOM 352 HA THR B 34 -17.068 5.997 20.830 1.00 0.00 H ATOM 353 HB THR B 34 -18.870 4.576 20.053 1.00 0.00 H ATOM 354 HG1 THR B 34 -19.327 6.412 21.433 1.00 0.00 H ATOM 355 HG23 THR B 34 -18.260 2.446 21.155 1.00 0.00 H ATOM 356 HG21 THR B 34 -18.650 3.146 22.745 1.00 0.00 H ATOM 357 HG22 THR B 34 -19.938 2.898 21.541 1.00 0.00 H ATOM 358 H THR B 34 -16.051 3.178 21.012 1.00 0.00 H ATOM 359 N ARG B 35 -16.795 6.311 23.290 1.00 50.54 N ATOM 360 CA ARG B 35 -16.612 6.533 24.729 1.00 51.76 C ATOM 361 C ARG B 35 -17.791 6.032 25.597 1.00 52.25 C ATOM 362 O ARG B 35 -17.607 5.722 26.793 1.00 52.52 O ATOM 363 CB ARG B 35 -16.363 8.002 25.005 1.00 53.25 C ATOM 364 CG ARG B 35 -14.925 8.441 24.815 1.00 53.90 C ATOM 365 CD ARG B 35 -14.822 9.893 25.137 1.00 58.65 C ATOM 366 NE ARG B 35 -13.455 10.373 25.067 1.00 64.92 N ATOM 367 CZ ARG B 35 -13.039 11.360 24.276 1.00 66.88 C ATOM 368 NH1 ARG B 35 -13.899 12.002 23.475 1.00 66.91 N ATOM 369 NH2 ARG B 35 -11.757 11.708 24.298 1.00 66.69 N ATOM 370 HA ARG B 35 -15.744 5.939 25.014 1.00 0.00 H ATOM 371 HB2 ARG B 35 -16.990 8.586 24.331 1.00 0.00 H ATOM 372 HB3 ARG B 35 -16.649 8.208 26.036 1.00 0.00 H ATOM 373 HG2 ARG B 35 -14.276 7.871 25.480 1.00 0.00 H ATOM 374 HG3 ARG B 35 -14.623 8.272 23.781 1.00 0.00 H ATOM 375 HD2 ARG B 35 -15.201 10.057 26.146 1.00 0.00 H ATOM 376 HD3 ARG B 35 -15.429 10.455 24.426 1.00 0.00 H ATOM 377 HE ARG B 35 -12.750 9.914 25.678 1.00 0.00 H ATOM 378 HH12 ARG B 35 -13.563 12.771 22.861 1.00 0.00 H ATOM 379 HH11 ARG B 35 -14.903 11.731 23.467 1.00 0.00 H ATOM 380 HH22 ARG B 35 -11.416 12.477 23.686 1.00 0.00 H ATOM 381 HH21 ARG B 35 -11.094 11.212 24.927 1.00 0.00 H ATOM 382 H ARG B 35 -16.950 7.131 22.669 1.00 0.00 H ATOM 383 N ASP B 36 -18.979 5.933 24.989 1.00 52.13 N ATOM 384 CA ASP B 36 -20.208 5.544 25.703 1.00 52.78 C ATOM 385 C ASP B 36 -20.304 4.037 26.063 1.00 51.32 C ATOM 386 O ASP B 36 -20.614 3.185 25.221 1.00 50.09 O ATOM 387 CB ASP B 36 -21.462 6.048 24.940 1.00 53.85 C ATOM 388 CG ASP B 36 -22.772 5.396 25.425 1.00 55.25 C ATOM 389 OD1 ASP B 36 -22.936 5.169 26.646 1.00 55.20 O ATOM 390 OD2 ASP B 36 -23.642 5.112 24.570 1.00 55.66 O ATOM 391 HA ASP B 36 -20.161 6.041 26.672 1.00 0.00 H ATOM 392 HB2 ASP B 36 -21.540 7.127 25.077 1.00 0.00 H ATOM 393 HB3 ASP B 36 -21.336 5.825 23.880 1.00 0.00 H ATOM 394 H ASP B 36 -19.037 6.139 23.971 1.00 0.00 H ATOM 395 N ARG B 37 -20.096 3.752 27.347 1.00 51.25 N ATOM 396 CA ARG B 37 -20.036 2.379 27.874 1.00 50.30 C ATOM 397 C ARG B 37 -21.381 1.662 27.761 1.00 50.03 C ATOM 398 O ARG B 37 -21.472 0.460 27.957 1.00 49.51 O ATOM 399 CB ARG B 37 -19.559 2.400 29.337 1.00 50.55 C ATOM 400 CG ARG B 37 -19.417 1.029 29.971 1.00 50.43 C ATOM 401 CD ARG B 37 -18.905 1.147 31.372 1.00 51.25 C ATOM 402 NE ARG B 37 -19.803 1.930 32.208 1.00 52.69 N ATOM 403 CZ ARG B 37 -19.433 2.571 33.308 1.00 53.89 C ATOM 404 NH1 ARG B 37 -18.164 2.545 33.710 1.00 54.20 N ATOM 405 NH2 ARG B 37 -20.331 3.264 33.996 1.00 56.33 N ATOM 406 HA ARG B 37 -19.322 1.821 27.268 1.00 0.00 H ATOM 407 HB2 ARG B 37 -18.588 2.894 29.372 1.00 0.00 H ATOM 408 HB3 ARG B 37 -20.278 2.973 29.922 1.00 0.00 H ATOM 409 HG2 ARG B 37 -20.390 0.538 29.985 1.00 0.00 H ATOM 410 HG3 ARG B 37 -18.719 0.433 29.383 1.00 0.00 H ATOM 411 HD2 ARG B 37 -17.928 1.631 31.352 1.00 0.00 H ATOM 412 HD3 ARG B 37 -18.806 0.148 31.798 1.00 0.00 H ATOM 413 HE ARG B 37 -20.801 1.991 31.924 1.00 0.00 H ATOM 414 HH12 ARG B 37 -17.882 3.050 34.574 1.00 0.00 H ATOM 415 HH11 ARG B 37 -17.455 2.019 33.160 1.00 0.00 H ATOM 416 HH22 ARG B 37 -20.048 3.769 34.860 1.00 0.00 H ATOM 417 HH21 ARG B 37 -21.318 3.302 33.672 1.00 0.00 H ATOM 418 H ARG B 37 -19.969 4.541 28.013 1.00 0.00 H ATOM 419 N SER B 38 -22.414 2.419 27.433 1.00 50.30 N ATOM 420 CA SER B 38 -23.768 1.891 27.345 1.00 51.13 C ATOM 421 C SER B 38 -24.137 1.502 25.940 1.00 50.83 C ATOM 422 O SER B 38 -25.163 0.859 25.723 1.00 50.94 O ATOM 423 CB SER B 38 -24.767 2.916 27.855 1.00 51.60 C ATOM 424 OG SER B 38 -25.050 2.668 29.213 1.00 53.72 O ATOM 425 HA SER B 38 -23.799 0.995 27.965 1.00 0.00 H ATOM 426 HB2 SER B 38 -25.687 2.846 27.274 1.00 0.00 H ATOM 427 HB3 SER B 38 -24.347 3.916 27.749 1.00 0.00 H ATOM 428 HG SER B 38 -24.214 2.733 29.740 1.00 0.00 H ATOM 429 H SER B 38 -22.254 3.427 27.231 1.00 0.00 H ATOM 430 N ASP B 39 -23.319 1.921 24.978 1.00 50.40 N ATOM 431 CA ASP B 39 -23.537 1.533 23.607 1.00 50.74 C ATOM 432 C ASP B 39 -23.593 -0.018 23.527 1.00 50.21 C ATOM 433 O ASP B 39 -22.973 -0.733 24.323 1.00 48.98 O ATOM 434 CB ASP B 39 -22.462 2.170 22.696 1.00 50.25 C ATOM 435 CG ASP B 39 -22.618 1.785 21.236 1.00 53.28 C ATOM 436 OD1 ASP B 39 -22.676 0.561 20.946 1.00 58.23 O ATOM 437 OD2 ASP B 39 -22.666 2.684 20.365 1.00 53.37 O ATOM 438 HA ASP B 39 -24.493 1.907 23.241 1.00 0.00 H ATOM 439 HB2 ASP B 39 -22.534 3.254 22.779 1.00 0.00 H ATOM 440 HB3 ASP B 39 -21.479 1.845 23.038 1.00 0.00 H ATOM 441 H ASP B 39 -22.514 2.535 25.218 1.00 0.00 H ATOM 442 N GLN B 40 -24.366 -0.516 22.582 1.00 51.67 N ATOM 443 CA GLN B 40 -24.724 -1.924 22.553 1.00 52.98 C ATOM 444 C GLN B 40 -23.832 -2.763 21.612 1.00 52.29 C ATOM 445 O GLN B 40 -23.789 -3.986 21.728 1.00 53.27 O ATOM 446 CB GLN B 40 -26.204 -2.056 22.192 1.00 54.41 C ATOM 447 CG GLN B 40 -26.936 -3.262 22.807 1.00 57.91 C ATOM 448 CD GLN B 40 -27.176 -3.161 24.319 1.00 59.22 C ATOM 449 OE1 GLN B 40 -26.858 -2.154 24.960 1.00 59.05 O ATOM 450 NE2 GLN B 40 -27.719 -4.229 24.891 1.00 59.59 N ATOM 451 HA GLN B 40 -24.550 -2.333 23.548 1.00 0.00 H ATOM 452 HB2 GLN B 40 -26.712 -1.151 22.524 1.00 0.00 H ATOM 453 HB3 GLN B 40 -26.279 -2.136 21.108 1.00 0.00 H ATOM 454 HG2 GLN B 40 -27.904 -3.360 22.315 1.00 0.00 H ATOM 455 HG3 GLN B 40 -26.341 -4.155 22.616 1.00 0.00 H ATOM 456 HE22 GLN B 40 -27.972 -5.056 24.314 1.00 0.00 H ATOM 457 HE21 GLN B 40 -27.892 -4.238 25.917 1.00 0.00 H ATOM 458 H GLN B 40 -24.729 0.115 21.839 1.00 0.00 H ATOM 459 N HIS B 41 -23.076 -2.113 20.729 1.00 51.13 N ATOM 460 CA HIS B 41 -22.208 -2.839 19.791 1.00 49.77 C ATOM 461 C HIS B 41 -20.711 -2.882 20.211 1.00 48.26 C ATOM 462 O HIS B 41 -19.830 -3.099 19.367 1.00 48.13 O ATOM 463 CB HIS B 41 -22.320 -2.247 18.373 1.00 50.90 C ATOM 464 CG HIS B 41 -23.730 -2.097 17.869 1.00 52.66 C ATOM 465 ND1 HIS B 41 -24.355 -0.870 17.775 1.00 55.05 N ATOM 466 CD2 HIS B 41 -24.612 -3.009 17.385 1.00 52.59 C ATOM 467 CE1 HIS B 41 -25.579 -1.038 17.296 1.00 57.59 C ATOM 468 NE2 HIS B 41 -25.754 -2.325 17.038 1.00 56.92 N ATOM 469 HA HIS B 41 -22.570 -3.867 19.806 1.00 0.00 H ATOM 470 HB2 HIS B 41 -21.853 -1.262 18.377 1.00 0.00 H ATOM 471 HB3 HIS B 41 -21.781 -2.901 17.687 1.00 0.00 H ATOM 472 HD2 HIS B 41 -24.446 -4.082 17.289 1.00 0.00 H ATOM 473 HE1 HIS B 41 -26.317 -0.251 17.141 1.00 0.00 H ATOM 474 H HIS B 41 -23.100 -1.074 20.703 1.00 0.00 H ATOM 475 N ILE B 42 -20.430 -2.686 21.497 1.00 46.64 N ATOM 476 CA ILE B 42 -19.065 -2.827 22.038 1.00 45.13 C ATOM 477 C ILE B 42 -18.898 -4.029 22.943 1.00 44.46 C ATOM 478 O ILE B 42 -17.840 -4.237 23.484 1.00 43.27 O ATOM 479 CB ILE B 42 -18.635 -1.613 22.859 1.00 44.55 C ATOM 480 CG1 ILE B 42 -19.386 -1.602 24.210 1.00 46.70 C ATOM 481 CG2 ILE B 42 -18.818 -0.373 22.055 1.00 44.32 C ATOM 482 CD1 ILE B 42 -19.164 -0.346 25.090 1.00 45.50 C ATOM 483 HA ILE B 42 -18.447 -2.939 21.147 1.00 0.00 H ATOM 484 HB ILE B 42 -17.574 -1.667 23.102 1.00 0.00 H ATOM 485 HG12 ILE B 42 -20.453 -1.681 24.001 1.00 0.00 H ATOM 486 HG13 ILE B 42 -19.063 -2.473 24.781 1.00 0.00 H ATOM 487 HD11 ILE B 42 -18.104 -0.253 25.327 1.00 0.00 H ATOM 488 HD12 ILE B 42 -19.495 0.539 24.547 1.00 0.00 H ATOM 489 HD13 ILE B 42 -19.737 -0.444 26.012 1.00 0.00 H ATOM 490 HG21 ILE B 42 -18.210 -0.434 21.153 1.00 0.00 H ATOM 491 HG22 ILE B 42 -19.868 -0.271 21.781 1.00 0.00 H ATOM 492 HG23 ILE B 42 -18.510 0.490 22.645 1.00 0.00 H ATOM 493 H ILE B 42 -21.201 -2.424 22.144 1.00 0.00 H ATOM 494 N GLN B 43 -19.959 -4.790 23.146 1.00 45.68 N ATOM 495 CA GLN B 43 -19.838 -6.034 23.881 1.00 46.89 C ATOM 496 C GLN B 43 -19.207 -6.998 22.917 1.00 46.60 C ATOM 497 O GLN B 43 -19.730 -7.229 21.824 1.00 47.90 O ATOM 498 CB GLN B 43 -21.193 -6.532 24.402 1.00 47.85 C ATOM 499 CG GLN B 43 -21.778 -5.700 25.596 1.00 49.90 C ATOM 500 CD GLN B 43 -22.393 -4.330 25.157 1.00 54.04 C ATOM 501 OE1 GLN B 43 -22.449 -3.370 25.937 1.00 55.81 O ATOM 502 NE2 GLN B 43 -22.839 -4.254 23.907 1.00 53.79 N ATOM 503 HA GLN B 43 -19.232 -5.914 24.779 1.00 0.00 H ATOM 504 HB2 GLN B 43 -21.908 -6.497 23.580 1.00 0.00 H ATOM 505 HB3 GLN B 43 -21.072 -7.564 24.733 1.00 0.00 H ATOM 506 HG2 GLN B 43 -22.557 -6.290 26.079 1.00 0.00 H ATOM 507 HG3 GLN B 43 -20.976 -5.507 26.308 1.00 0.00 H ATOM 508 HE22 GLN B 43 -22.775 -5.082 23.281 1.00 0.00 H ATOM 509 HE21 GLN B 43 -23.252 -3.367 23.555 1.00 0.00 H ATOM 510 H GLN B 43 -20.885 -4.495 22.777 1.00 0.00 H ATOM 511 N LEU B 44 -18.032 -7.478 23.269 1.00 46.04 N ATOM 512 CA LEU B 44 -17.290 -8.325 22.367 1.00 46.90 C ATOM 513 C LEU B 44 -17.184 -9.679 22.960 1.00 48.30 C ATOM 514 O LEU B 44 -17.299 -9.859 24.162 1.00 50.19 O ATOM 515 CB LEU B 44 -15.897 -7.761 22.088 1.00 45.77 C ATOM 516 CG LEU B 44 -15.896 -6.349 21.520 1.00 44.34 C ATOM 517 CD1 LEU B 44 -14.496 -5.764 21.325 1.00 43.54 C ATOM 518 CD2 LEU B 44 -16.644 -6.379 20.243 1.00 45.43 C ATOM 519 HA LEU B 44 -17.819 -8.373 21.415 1.00 0.00 H ATOM 520 HB2 LEU B 44 -15.338 -7.754 23.023 1.00 0.00 H ATOM 521 HB3 LEU B 44 -15.399 -8.417 21.374 1.00 0.00 H ATOM 522 HG LEU B 44 -16.375 -5.687 22.242 1.00 0.00 H ATOM 523 HD21 LEU B 44 -16.155 -7.067 19.553 1.00 0.00 H ATOM 524 HD22 LEU B 44 -17.665 -6.713 20.429 1.00 0.00 H ATOM 525 HD23 LEU B 44 -16.661 -5.379 19.810 1.00 0.00 H ATOM 526 HD11 LEU B 44 -13.982 -5.728 22.285 1.00 0.00 H ATOM 527 HD12 LEU B 44 -13.934 -6.392 20.634 1.00 0.00 H ATOM 528 HD13 LEU B 44 -14.578 -4.756 20.917 1.00 0.00 H ATOM 529 H LEU B 44 -17.637 -7.245 24.202 1.00 0.00 H ATOM 530 N GLN B 45 -16.968 -10.654 22.118 1.00 49.71 N ATOM 531 CA GLN B 45 -16.694 -11.977 22.606 1.00 51.11 C ATOM 532 C GLN B 45 -15.334 -12.357 22.075 1.00 50.21 C ATOM 533 O GLN B 45 -15.170 -12.598 20.883 1.00 50.39 O ATOM 534 CB GLN B 45 -17.782 -12.951 22.129 1.00 52.65 C ATOM 535 CG GLN B 45 -17.549 -14.385 22.522 1.00 57.75 C ATOM 536 CD GLN B 45 -17.807 -14.608 23.982 1.00 65.57 C ATOM 537 OE1 GLN B 45 -18.283 -13.700 24.680 1.00 67.57 O ATOM 538 NE2 GLN B 45 -17.511 -15.820 24.470 1.00 66.62 N ATOM 539 HA GLN B 45 -16.697 -12.015 23.695 1.00 0.00 H ATOM 540 HB2 GLN B 45 -18.735 -12.632 22.552 1.00 0.00 H ATOM 541 HB3 GLN B 45 -17.833 -12.899 21.041 1.00 0.00 H ATOM 542 HG2 GLN B 45 -18.217 -15.023 21.943 1.00 0.00 H ATOM 543 HG3 GLN B 45 -16.515 -14.649 22.301 1.00 0.00 H ATOM 544 HE22 GLN B 45 -17.113 -16.549 23.845 1.00 0.00 H ATOM 545 HE21 GLN B 45 -17.679 -16.031 25.474 1.00 0.00 H ATOM 546 H GLN B 45 -16.994 -10.472 21.094 1.00 0.00 H ATOM 547 N LEU B 46 -14.335 -12.359 22.944 1.00 50.03 N ATOM 548 CA LEU B 46 -13.056 -12.955 22.576 1.00 49.96 C ATOM 549 C LEU B 46 -13.143 -14.486 22.706 1.00 51.38 C ATOM 550 O LEU B 46 -13.677 -14.972 23.673 1.00 52.04 O ATOM 551 CB LEU B 46 -11.918 -12.359 23.401 1.00 47.94 C ATOM 552 CG LEU B 46 -11.416 -11.033 22.801 1.00 46.61 C ATOM 553 CD1 LEU B 46 -12.503 -9.909 22.918 1.00 43.53 C ATOM 554 CD2 LEU B 46 -10.023 -10.535 23.384 1.00 43.25 C ATOM 555 HA LEU B 46 -12.833 -12.723 21.535 1.00 0.00 H ATOM 556 HB2 LEU B 46 -12.274 -12.176 24.415 1.00 0.00 H ATOM 557 HB3 LEU B 46 -11.092 -13.070 23.430 1.00 0.00 H ATOM 558 HG LEU B 46 -11.234 -11.247 21.748 1.00 0.00 H ATOM 559 HD21 LEU B 46 -10.114 -10.384 24.460 1.00 0.00 H ATOM 560 HD22 LEU B 46 -9.258 -11.285 23.184 1.00 0.00 H ATOM 561 HD23 LEU B 46 -9.746 -9.595 22.906 1.00 0.00 H ATOM 562 HD11 LEU B 46 -13.401 -10.216 22.381 1.00 0.00 H ATOM 563 HD12 LEU B 46 -12.744 -9.746 23.968 1.00 0.00 H ATOM 564 HD13 LEU B 46 -12.117 -8.986 22.485 1.00 0.00 H ATOM 565 H LEU B 46 -14.462 -11.937 23.886 1.00 0.00 H ATOM 566 N SER B 47 -12.698 -15.208 21.681 1.00 52.73 N ATOM 567 CA SER B 47 -12.503 -16.676 21.757 1.00 56.56 C ATOM 568 C SER B 47 -11.205 -17.095 21.069 1.00 58.03 C ATOM 569 O SER B 47 -10.682 -16.367 20.221 1.00 57.03 O ATOM 570 CB SER B 47 -13.714 -17.488 21.224 1.00 57.15 C ATOM 571 OG SER B 47 -14.343 -16.886 20.094 1.00 57.86 O ATOM 572 HA SER B 47 -12.425 -16.918 22.817 1.00 0.00 H ATOM 573 HB2 SER B 47 -14.450 -17.577 22.023 1.00 0.00 H ATOM 574 HB3 SER B 47 -13.367 -18.481 20.939 1.00 0.00 H ATOM 575 HG SER B 47 -15.104 -17.448 19.803 1.00 0.00 H ATOM 576 H SER B 47 -12.477 -14.722 20.788 1.00 0.00 H ATOM 577 N ALA B 48 -10.666 -18.252 21.450 1.00 61.27 N ATOM 578 CA ALA B 48 -9.271 -18.528 21.148 1.00 63.30 C ATOM 579 C ALA B 48 -9.006 -19.849 20.446 1.00 65.99 C ATOM 580 O ALA B 48 -9.300 -20.927 20.958 1.00 67.62 O ATOM 581 CB ALA B 48 -8.395 -18.381 22.410 1.00 63.86 C ATOM 582 HA ALA B 48 -8.989 -17.770 20.417 1.00 0.00 H ATOM 583 HB1 ALA B 48 -8.477 -17.363 22.791 1.00 0.00 H ATOM 584 HB2 ALA B 48 -8.735 -19.084 23.171 1.00 0.00 H ATOM 585 HB3 ALA B 48 -7.356 -18.593 22.156 1.00 0.00 H ATOM 586 H ALA B 48 -11.240 -18.954 21.960 1.00 0.00 H ATOM 587 N GLU B 49 -8.413 -19.722 19.265 1.00 67.11 N ATOM 588 CA GLU B 49 -8.093 -20.829 18.386 1.00 69.13 C ATOM 589 C GLU B 49 -6.863 -21.610 18.921 1.00 70.38 C ATOM 590 O GLU B 49 -6.922 -22.834 19.137 1.00 72.54 O ATOM 591 CB GLU B 49 -7.886 -20.257 16.964 1.00 68.38 C ATOM 592 CG GLU B 49 -6.872 -20.973 16.079 1.00 71.88 C ATOM 593 CD GLU B 49 -7.358 -22.328 15.577 1.00 75.93 C ATOM 594 OE1 GLU B 49 -6.483 -23.143 15.205 1.00 78.68 O ATOM 595 OE2 GLU B 49 -8.598 -22.576 15.545 1.00 75.14 O ATOM 596 HA GLU B 49 -8.905 -21.555 18.349 1.00 0.00 H ATOM 597 HB2 GLU B 49 -8.848 -20.285 16.453 1.00 0.00 H ATOM 598 HB3 GLU B 49 -7.561 -19.222 17.068 1.00 0.00 H ATOM 599 HG2 GLU B 49 -6.658 -20.341 15.217 1.00 0.00 H ATOM 600 HG3 GLU B 49 -5.958 -21.124 16.653 1.00 0.00 H ATOM 601 H GLU B 49 -8.161 -18.764 18.949 1.00 0.00 H ATOM 602 N SER B 50 -5.772 -20.878 19.145 1.00 69.30 N ATOM 603 CA SER B 50 -4.576 -21.383 19.799 1.00 69.35 C ATOM 604 C SER B 50 -4.171 -20.334 20.791 1.00 67.50 C ATOM 605 O SER B 50 -4.865 -19.319 20.964 1.00 66.51 O ATOM 606 CB SER B 50 -3.439 -21.540 18.793 1.00 69.84 C ATOM 607 OG SER B 50 -3.935 -21.898 17.521 1.00 71.89 O ATOM 608 HA SER B 50 -4.773 -22.352 20.258 1.00 0.00 H ATOM 609 HB2 SER B 50 -2.758 -22.317 19.142 1.00 0.00 H ATOM 610 HB3 SER B 50 -2.900 -20.596 18.713 1.00 0.00 H ATOM 611 HG SER B 50 -3.180 -21.993 16.888 1.00 0.00 H ATOM 612 H SER B 50 -5.777 -19.886 18.833 1.00 0.00 H ATOM 613 N VAL B 51 -3.006 -20.530 21.390 1.00 66.94 N ATOM 614 CA VAL B 51 -2.568 -19.675 22.489 1.00 64.98 C ATOM 615 C VAL B 51 -2.261 -18.218 22.054 1.00 61.51 C ATOM 616 O VAL B 51 -1.367 -17.976 21.255 1.00 61.14 O ATOM 617 CB VAL B 51 -1.373 -20.308 23.216 1.00 66.81 C ATOM 618 CG1 VAL B 51 -0.061 -20.115 22.400 1.00 66.64 C ATOM 619 CG2 VAL B 51 -1.264 -19.765 24.651 1.00 67.36 C ATOM 620 HA VAL B 51 -3.406 -19.602 23.183 1.00 0.00 H ATOM 621 HB VAL B 51 -1.536 -21.383 23.294 1.00 0.00 H ATOM 622 HG11 VAL B 51 -0.169 -20.588 21.424 1.00 0.00 H ATOM 623 HG12 VAL B 51 0.131 -19.050 22.270 1.00 0.00 H ATOM 624 HG13 VAL B 51 0.770 -20.572 22.937 1.00 0.00 H ATOM 625 HG21 VAL B 51 -1.127 -18.684 24.620 1.00 0.00 H ATOM 626 HG22 VAL B 51 -2.177 -20.001 25.198 1.00 0.00 H ATOM 627 HG23 VAL B 51 -0.411 -20.226 25.149 1.00 0.00 H ATOM 628 H VAL B 51 -2.392 -21.307 21.072 1.00 0.00 H ATOM 629 N GLY B 52 -3.031 -17.266 22.569 1.00 58.58 N ATOM 630 CA GLY B 52 -2.812 -15.865 22.257 1.00 55.26 C ATOM 631 C GLY B 52 -3.094 -15.597 20.791 1.00 53.38 C ATOM 632 O GLY B 52 -2.667 -14.580 20.237 1.00 51.13 O ATOM 633 HA3 GLY B 52 -1.776 -15.606 22.477 1.00 0.00 H ATOM 634 HA2 GLY B 52 -3.476 -15.253 22.868 1.00 0.00 H ATOM 635 H GLY B 52 -3.807 -17.530 23.209 1.00 0.00 H ATOM 636 N GLU B 53 -3.799 -16.543 20.161 1.00 52.94 N ATOM 637 CA GLU B 53 -4.442 -16.301 18.860 1.00 51.57 C ATOM 638 C GLU B 53 -5.975 -16.246 19.040 1.00 50.05 C ATOM 639 O GLU B 53 -6.610 -17.288 19.325 1.00 51.41 O ATOM 640 CB GLU B 53 -4.014 -17.390 17.853 1.00 52.98 C ATOM 641 CG GLU B 53 -2.497 -17.636 17.884 1.00 54.09 C ATOM 642 CD GLU B 53 -1.950 -18.218 16.600 1.00 59.22 C ATOM 643 OE1 GLU B 53 -2.773 -18.703 15.783 1.00 61.09 O ATOM 644 OE2 GLU B 53 -0.686 -18.212 16.420 1.00 60.29 O ATOM 645 HA GLU B 53 -4.121 -15.340 18.458 1.00 0.00 H ATOM 646 HB2 GLU B 53 -4.527 -18.320 18.100 1.00 0.00 H ATOM 647 HB3 GLU B 53 -4.300 -17.074 16.850 1.00 0.00 H ATOM 648 HG2 GLU B 53 -1.998 -16.686 18.072 1.00 0.00 H ATOM 649 HG3 GLU B 53 -2.277 -18.328 18.697 1.00 0.00 H ATOM 650 H GLU B 53 -3.896 -17.479 20.605 1.00 0.00 H ATOM 651 N VAL B 54 -6.553 -15.040 18.943 1.00 46.38 N ATOM 652 CA VAL B 54 -7.994 -14.882 19.089 1.00 45.01 C ATOM 653 C VAL B 54 -8.814 -14.483 17.832 1.00 44.48 C ATOM 654 O VAL B 54 -8.281 -13.925 16.870 1.00 43.52 O ATOM 655 CB VAL B 54 -8.393 -13.951 20.285 1.00 44.64 C ATOM 656 CG1 VAL B 54 -7.859 -14.491 21.559 1.00 44.21 C ATOM 657 CG2 VAL B 54 -7.990 -12.450 20.035 1.00 42.97 C ATOM 658 HA VAL B 54 -8.281 -15.914 19.293 1.00 0.00 H ATOM 659 HB VAL B 54 -9.480 -13.945 20.364 1.00 0.00 H ATOM 660 HG11 VAL B 54 -8.269 -15.486 21.730 1.00 0.00 H ATOM 661 HG12 VAL B 54 -6.772 -14.549 21.500 1.00 0.00 H ATOM 662 HG13 VAL B 54 -8.145 -13.833 22.379 1.00 0.00 H ATOM 663 HG21 VAL B 54 -6.911 -12.383 19.900 1.00 0.00 H ATOM 664 HG22 VAL B 54 -8.493 -12.084 19.140 1.00 0.00 H ATOM 665 HG23 VAL B 54 -8.288 -11.847 20.893 1.00 0.00 H ATOM 666 H VAL B 54 -5.963 -14.203 18.760 1.00 0.00 H ATOM 667 N TYR B 55 -10.112 -14.827 17.858 1.00 44.69 N ATOM 668 CA TYR B 55 -11.145 -14.066 17.133 1.00 44.67 C ATOM 669 C TYR B 55 -11.892 -13.071 18.050 1.00 43.64 C ATOM 670 O TYR B 55 -12.142 -13.335 19.227 1.00 44.78 O ATOM 671 CB TYR B 55 -12.162 -14.990 16.523 1.00 45.31 C ATOM 672 CG TYR B 55 -11.599 -16.105 15.730 1.00 48.62 C ATOM 673 CD1 TYR B 55 -11.260 -17.309 16.345 1.00 50.80 C ATOM 674 CD2 TYR B 55 -11.440 -15.988 14.348 1.00 50.22 C ATOM 675 CE1 TYR B 55 -10.760 -18.366 15.612 1.00 54.73 C ATOM 676 CE2 TYR B 55 -10.937 -17.031 13.601 1.00 52.81 C ATOM 677 CZ TYR B 55 -10.588 -18.230 14.235 1.00 56.06 C ATOM 678 OH TYR B 55 -10.072 -19.308 13.492 1.00 58.34 O ATOM 679 HA TYR B 55 -10.621 -13.509 16.356 1.00 0.00 H ATOM 680 HB3 TYR B 55 -12.805 -14.401 15.869 1.00 0.00 H ATOM 681 HB2 TYR B 55 -12.759 -15.416 17.330 1.00 0.00 H ATOM 682 HD2 TYR B 55 -11.718 -15.058 13.852 1.00 0.00 H ATOM 683 HE2 TYR B 55 -10.812 -16.924 12.524 1.00 0.00 H ATOM 684 HE1 TYR B 55 -10.501 -19.302 16.107 1.00 0.00 H ATOM 685 HD1 TYR B 55 -11.392 -17.417 17.422 1.00 0.00 H ATOM 686 HH TYR B 55 -9.883 -20.066 14.100 1.00 0.00 H ATOM 687 H TYR B 55 -10.399 -15.661 18.410 1.00 0.00 H ATOM 688 N ILE B 56 -12.286 -11.954 17.489 1.00 42.47 N ATOM 689 CA ILE B 56 -13.008 -10.940 18.236 1.00 41.71 C ATOM 690 C ILE B 56 -14.392 -10.681 17.585 1.00 43.36 C ATOM 691 O ILE B 56 -14.486 -10.143 16.482 1.00 42.27 O ATOM 692 CB ILE B 56 -12.198 -9.642 18.285 1.00 40.16 C ATOM 693 CG1 ILE B 56 -10.814 -9.926 18.885 1.00 37.10 C ATOM 694 CG2 ILE B 56 -13.000 -8.501 19.022 1.00 36.61 C ATOM 695 CD1 ILE B 56 -9.764 -8.997 18.434 1.00 29.12 C ATOM 696 HA ILE B 56 -13.160 -11.297 19.255 1.00 0.00 H ATOM 697 HB ILE B 56 -12.032 -9.264 17.276 1.00 0.00 H ATOM 698 HG12 ILE B 56 -10.890 -9.857 19.970 1.00 0.00 H ATOM 699 HG13 ILE B 56 -10.520 -10.938 18.606 1.00 0.00 H ATOM 700 HD11 ILE B 56 -9.665 -9.061 17.350 1.00 0.00 H ATOM 701 HD12 ILE B 56 -10.035 -7.980 18.716 1.00 0.00 H ATOM 702 HD13 ILE B 56 -8.817 -9.265 18.903 1.00 0.00 H ATOM 703 HG21 ILE B 56 -13.932 -8.312 18.490 1.00 0.00 H ATOM 704 HG22 ILE B 56 -13.220 -8.814 20.042 1.00 0.00 H ATOM 705 HG23 ILE B 56 -12.400 -7.591 19.042 1.00 0.00 H ATOM 706 H ILE B 56 -12.076 -11.790 16.484 1.00 0.00 H ATOM 707 N LYS B 57 -15.446 -11.062 18.295 1.00 45.46 N ATOM 708 CA LYS B 57 -16.814 -11.072 17.767 1.00 47.47 C ATOM 709 C LYS B 57 -17.697 -10.022 18.457 1.00 47.78 C ATOM 710 O LYS B 57 -17.612 -9.842 19.685 1.00 47.60 O ATOM 711 CB LYS B 57 -17.395 -12.470 17.964 1.00 48.82 C ATOM 712 CG LYS B 57 -18.688 -12.797 17.181 1.00 52.28 C ATOM 713 CD LYS B 57 -19.284 -14.114 17.699 1.00 55.78 C ATOM 714 CE LYS B 57 -20.677 -14.385 17.146 1.00 60.02 C ATOM 715 NZ LYS B 57 -21.518 -15.173 18.093 1.00 60.28 N ATOM 716 HA LYS B 57 -16.788 -10.818 16.707 1.00 0.00 H ATOM 717 HB2 LYS B 57 -16.634 -13.190 17.663 1.00 0.00 H ATOM 718 HB3 LYS B 57 -17.610 -12.593 19.025 1.00 0.00 H ATOM 719 HG2 LYS B 57 -19.410 -11.992 17.320 1.00 0.00 H ATOM 720 HG3 LYS B 57 -18.455 -12.896 16.121 1.00 0.00 H ATOM 721 HD2 LYS B 57 -18.627 -14.933 17.407 1.00 0.00 H ATOM 722 HD3 LYS B 57 -19.343 -14.067 18.786 1.00 0.00 H ATOM 723 HE2 LYS B 57 -20.582 -14.942 16.214 1.00 0.00 H ATOM 724 HE3 LYS B 57 -21.168 -13.432 16.950 1.00 0.00 H ATOM 725 HZ1 LYS B 57 -21.061 -16.088 18.281 1.00 0.00 H ATOM 726 HZ2 LYS B 57 -21.621 -14.646 18.984 1.00 0.00 H ATOM 727 HZ3 LYS B 57 -22.456 -15.332 17.672 1.00 0.00 H ATOM 728 H LYS B 57 -15.294 -11.369 19.277 1.00 0.00 H ATOM 729 N SER B 58 -18.541 -9.346 17.666 1.00 48.38 N ATOM 730 CA SER B 58 -19.588 -8.422 18.177 1.00 49.42 C ATOM 731 C SER B 58 -20.798 -9.199 18.615 1.00 50.25 C ATOM 732 O SER B 58 -21.353 -9.889 17.811 1.00 52.06 O ATOM 733 CB SER B 58 -20.022 -7.455 17.065 1.00 49.68 C ATOM 734 OG SER B 58 -21.199 -6.725 17.418 1.00 51.61 O ATOM 735 HA SER B 58 -19.172 -7.870 19.020 1.00 0.00 H ATOM 736 HB2 SER B 58 -20.221 -8.027 16.159 1.00 0.00 H ATOM 737 HB3 SER B 58 -19.213 -6.749 16.877 1.00 0.00 H ATOM 738 HG SER B 58 -21.025 -6.197 18.237 1.00 0.00 H ATOM 739 H SER B 58 -18.459 -9.475 16.637 1.00 0.00 H ATOM 740 N THR B 59 -21.223 -9.102 19.875 1.00 50.90 N ATOM 741 CA THR B 59 -22.351 -9.961 20.324 1.00 52.58 C ATOM 742 C THR B 59 -23.713 -9.465 19.839 1.00 54.13 C ATOM 743 O THR B 59 -24.620 -10.278 19.609 1.00 55.64 O ATOM 744 CB THR B 59 -22.368 -10.290 21.862 1.00 52.27 C ATOM 745 OG1 THR B 59 -22.004 -9.137 22.631 1.00 52.97 O ATOM 746 CG2 THR B 59 -21.398 -11.371 22.156 1.00 52.17 C ATOM 747 HA THR B 59 -22.154 -10.913 19.831 1.00 0.00 H ATOM 748 HB THR B 59 -23.378 -10.602 22.129 1.00 0.00 H ATOM 749 HG1 THR B 59 -21.093 -8.846 22.376 1.00 0.00 H ATOM 750 HG23 THR B 59 -21.659 -12.258 21.579 1.00 0.00 H ATOM 751 HG21 THR B 59 -20.395 -11.041 21.884 1.00 0.00 H ATOM 752 HG22 THR B 59 -21.429 -11.606 23.220 1.00 0.00 H ATOM 753 H THR B 59 -20.772 -8.436 20.534 1.00 0.00 H ATOM 754 N GLU B 60 -23.841 -8.145 19.644 1.00 54.31 N ATOM 755 CA GLU B 60 -25.059 -7.565 19.070 1.00 55.76 C ATOM 756 C GLU B 60 -25.287 -7.831 17.595 1.00 56.35 C ATOM 757 O GLU B 60 -26.437 -7.869 17.168 1.00 58.11 O ATOM 758 CB GLU B 60 -25.173 -6.068 19.335 1.00 55.66 C ATOM 759 CG GLU B 60 -26.279 -5.761 20.361 1.00 60.65 C ATOM 760 CD GLU B 60 -26.110 -6.580 21.656 1.00 65.48 C ATOM 761 OE1 GLU B 60 -25.196 -6.273 22.486 1.00 64.40 O ATOM 762 OE2 GLU B 60 -26.877 -7.556 21.825 1.00 70.14 O ATOM 763 HA GLU B 60 -25.847 -8.100 19.600 1.00 0.00 H ATOM 764 HB2 GLU B 60 -24.221 -5.702 19.719 1.00 0.00 H ATOM 765 HB3 GLU B 60 -25.405 -5.559 18.400 1.00 0.00 H ATOM 766 HG2 GLU B 60 -26.245 -4.700 20.608 1.00 0.00 H ATOM 767 HG3 GLU B 60 -27.246 -5.999 19.918 1.00 0.00 H ATOM 768 H GLU B 60 -23.056 -7.516 19.907 1.00 0.00 H ATOM 769 N THR B 61 -24.217 -7.948 16.804 1.00 54.87 N ATOM 770 CA THR B 61 -24.382 -8.185 15.365 1.00 54.91 C ATOM 771 C THR B 61 -23.839 -9.527 14.878 1.00 53.97 C ATOM 772 O THR B 61 -24.201 -9.984 13.803 1.00 55.26 O ATOM 773 CB THR B 61 -23.819 -7.042 14.485 1.00 54.48 C ATOM 774 OG1 THR B 61 -22.389 -7.006 14.577 1.00 55.09 O ATOM 775 CG2 THR B 61 -24.395 -5.701 14.889 1.00 56.42 C ATOM 776 HA THR B 61 -25.465 -8.212 15.243 1.00 0.00 H ATOM 777 HB THR B 61 -24.110 -7.240 13.453 1.00 0.00 H ATOM 778 HG1 THR B 61 -22.124 -6.852 15.518 1.00 0.00 H ATOM 779 HG23 THR B 61 -25.482 -5.737 14.816 1.00 0.00 H ATOM 780 HG21 THR B 61 -24.106 -5.477 15.916 1.00 0.00 H ATOM 781 HG22 THR B 61 -24.011 -4.927 14.225 1.00 0.00 H ATOM 782 H THR B 61 -23.263 -7.871 17.210 1.00 0.00 H ATOM 783 N GLY B 62 -22.995 -10.164 15.671 1.00 52.11 N ATOM 784 CA GLY B 62 -22.421 -11.439 15.285 1.00 51.63 C ATOM 785 C GLY B 62 -21.243 -11.316 14.310 1.00 51.10 C ATOM 786 O GLY B 62 -20.671 -12.350 13.898 1.00 51.08 O ATOM 787 HA3 GLY B 62 -23.199 -12.037 14.811 1.00 0.00 H ATOM 788 HA2 GLY B 62 -22.072 -11.946 16.185 1.00 0.00 H ATOM 789 H GLY B 62 -22.738 -9.744 16.587 1.00 0.00 H ATOM 790 N GLN B 63 -20.881 -10.071 13.942 1.00 49.42 N ATOM 791 CA GLN B 63 -19.712 -9.801 13.089 1.00 48.95 C ATOM 792 C GLN B 63 -18.367 -10.079 13.798 1.00 48.11 C ATOM 793 O GLN B 63 -18.215 -9.845 14.998 1.00 46.55 O ATOM 794 CB GLN B 63 -19.692 -8.356 12.592 1.00 48.76 C ATOM 795 CG GLN B 63 -20.759 -7.947 11.584 1.00 50.83 C ATOM 796 CD GLN B 63 -20.770 -6.415 11.394 1.00 54.87 C ATOM 797 OE1 GLN B 63 -20.117 -5.882 10.485 1.00 55.89 O ATOM 798 NE2 GLN B 63 -21.469 -5.708 12.284 1.00 51.52 N ATOM 799 HA GLN B 63 -19.817 -10.487 12.249 1.00 0.00 H ATOM 800 HB2 GLN B 63 -19.799 -7.709 13.463 1.00 0.00 H ATOM 801 HB3 GLN B 63 -18.721 -8.182 12.129 1.00 0.00 H ATOM 802 HG2 GLN B 63 -20.550 -8.425 10.627 1.00 0.00 H ATOM 803 HG3 GLN B 63 -21.735 -8.270 11.945 1.00 0.00 H ATOM 804 HE22 GLN B 63 -22.003 -6.196 13.031 1.00 0.00 H ATOM 805 HE21 GLN B 63 -21.479 -4.669 12.230 1.00 0.00 H ATOM 806 H GLN B 63 -21.451 -9.267 14.275 1.00 0.00 H ATOM 807 N TYR B 64 -17.397 -10.567 13.023 1.00 48.37 N ATOM 808 CA TYR B 64 -16.031 -10.711 13.481 1.00 46.85 C ATOM 809 C TYR B 64 -15.191 -9.576 12.991 1.00 46.55 C ATOM 810 O TYR B 64 -15.347 -9.124 11.873 1.00 47.62 O ATOM 811 CB TYR B 64 -15.461 -11.993 12.966 1.00 47.06 C ATOM 812 CG TYR B 64 -16.062 -13.192 13.622 1.00 47.79 C ATOM 813 CD1 TYR B 64 -17.170 -13.827 13.071 1.00 48.77 C ATOM 814 CD2 TYR B 64 -15.525 -13.698 14.794 1.00 48.65 C ATOM 815 CE1 TYR B 64 -17.734 -14.951 13.676 1.00 50.52 C ATOM 816 CE2 TYR B 64 -16.077 -14.829 15.408 1.00 52.19 C ATOM 817 CZ TYR B 64 -17.182 -15.442 14.835 1.00 51.67 C ATOM 818 OH TYR B 64 -17.710 -16.544 15.431 1.00 54.30 O ATOM 819 HA TYR B 64 -16.031 -10.712 14.571 1.00 0.00 H ATOM 820 HB3 TYR B 64 -14.386 -11.996 13.149 1.00 0.00 H ATOM 821 HB2 TYR B 64 -15.646 -12.052 11.893 1.00 0.00 H ATOM 822 HD2 TYR B 64 -14.661 -13.209 15.245 1.00 0.00 H ATOM 823 HE2 TYR B 64 -15.643 -15.224 16.327 1.00 0.00 H ATOM 824 HE1 TYR B 64 -18.604 -15.435 13.233 1.00 0.00 H ATOM 825 HD1 TYR B 64 -17.606 -13.440 12.150 1.00 0.00 H ATOM 826 HH TYR B 64 -18.487 -16.861 14.906 1.00 0.00 H ATOM 827 H TYR B 64 -17.631 -10.855 12.052 1.00 0.00 H ATOM 828 N LEU B 65 -14.291 -9.119 13.847 1.00 45.98 N ATOM 829 CA LEU B 65 -13.334 -8.095 13.518 1.00 45.59 C ATOM 830 C LEU B 65 -12.324 -8.690 12.561 1.00 46.52 C ATOM 831 O LEU B 65 -11.880 -9.832 12.724 1.00 46.11 O ATOM 832 CB LEU B 65 -12.624 -7.632 14.792 1.00 45.00 C ATOM 833 CG LEU B 65 -12.190 -6.174 14.923 1.00 45.57 C ATOM 834 CD1 LEU B 65 -10.865 -6.089 15.645 1.00 44.35 C ATOM 835 CD2 LEU B 65 -12.106 -5.515 13.574 1.00 46.16 C ATOM 836 HA LEU B 65 -13.832 -7.240 13.061 1.00 0.00 H ATOM 837 HB2 LEU B 65 -13.298 -7.839 15.624 1.00 0.00 H ATOM 838 HB3 LEU B 65 -11.726 -8.241 14.894 1.00 0.00 H ATOM 839 HG LEU B 65 -12.940 -5.641 15.508 1.00 0.00 H ATOM 840 HD21 LEU B 65 -11.379 -6.043 12.958 1.00 0.00 H ATOM 841 HD22 LEU B 65 -13.084 -5.548 13.093 1.00 0.00 H ATOM 842 HD23 LEU B 65 -11.795 -4.478 13.697 1.00 0.00 H ATOM 843 HD11 LEU B 65 -10.966 -6.523 16.640 1.00 0.00 H ATOM 844 HD12 LEU B 65 -10.110 -6.638 15.082 1.00 0.00 H ATOM 845 HD13 LEU B 65 -10.566 -5.044 15.732 1.00 0.00 H ATOM 846 H LEU B 65 -14.274 -9.520 14.806 1.00 0.00 H ATOM 847 N ALA B 66 -11.946 -7.902 11.563 1.00 47.91 N ATOM 848 CA ALA B 66 -11.106 -8.387 10.482 1.00 49.15 C ATOM 849 C ALA B 66 -10.319 -7.255 9.897 1.00 50.16 C ATOM 850 O ALA B 66 -10.681 -6.075 10.045 1.00 50.46 O ATOM 851 CB ALA B 66 -11.964 -9.066 9.391 1.00 50.07 C ATOM 852 HA ALA B 66 -10.414 -9.127 10.883 1.00 0.00 H ATOM 853 HB1 ALA B 66 -12.503 -9.908 9.826 1.00 0.00 H ATOM 854 HB2 ALA B 66 -12.676 -8.345 8.990 1.00 0.00 H ATOM 855 HB3 ALA B 66 -11.316 -9.422 8.590 1.00 0.00 H ATOM 856 H ALA B 66 -12.260 -6.910 11.554 1.00 0.00 H ATOM 857 N MET B 67 -9.224 -7.619 9.243 1.00 52.23 N ATOM 858 CA MET B 67 -8.371 -6.673 8.534 1.00 54.72 C ATOM 859 C MET B 67 -8.091 -7.281 7.193 1.00 56.90 C ATOM 860 O MET B 67 -7.775 -8.478 7.103 1.00 57.31 O ATOM 861 CB MET B 67 -7.068 -6.462 9.289 1.00 54.43 C ATOM 862 CG MET B 67 -6.296 -5.233 8.887 1.00 55.92 C ATOM 863 SD MET B 67 -4.758 -5.106 9.836 1.00 59.63 S ATOM 864 CE MET B 67 -5.154 -3.788 10.969 1.00 58.07 C ATOM 865 HA MET B 67 -8.857 -5.702 8.441 1.00 0.00 H ATOM 866 HB2 MET B 67 -7.300 -6.384 10.351 1.00 0.00 H ATOM 867 HB3 MET B 67 -6.433 -7.332 9.120 1.00 0.00 H ATOM 868 HG2 MET B 67 -6.906 -4.349 9.074 1.00 0.00 H ATOM 869 HG3 MET B 67 -6.058 -5.291 7.825 1.00 0.00 H ATOM 870 HE1 MET B 67 -5.391 -2.885 10.406 1.00 0.00 H ATOM 871 HE2 MET B 67 -6.014 -4.077 11.574 1.00 0.00 H ATOM 872 HE3 MET B 67 -4.299 -3.599 11.618 1.00 0.00 H ATOM 873 H MET B 67 -8.962 -8.625 9.236 1.00 0.00 H ATOM 874 N ASP B 68 -8.230 -6.468 6.147 1.00 59.23 N ATOM 875 CA ASP B 68 -8.157 -6.960 4.766 1.00 62.16 C ATOM 876 C ASP B 68 -6.713 -7.038 4.246 1.00 63.09 C ATOM 877 O ASP B 68 -5.760 -7.118 5.032 1.00 62.16 O ATOM 878 CB ASP B 68 -9.002 -6.065 3.843 1.00 64.27 C ATOM 879 CG ASP B 68 -8.606 -4.590 3.930 1.00 66.20 C ATOM 880 OD1 ASP B 68 -7.419 -4.296 4.225 1.00 67.13 O ATOM 881 OD2 ASP B 68 -9.486 -3.732 3.707 1.00 68.29 O ATOM 882 HA ASP B 68 -8.556 -7.974 4.763 1.00 0.00 H ATOM 883 HB2 ASP B 68 -8.871 -6.402 2.815 1.00 0.00 H ATOM 884 HB3 ASP B 68 -10.050 -6.163 4.126 1.00 0.00 H ATOM 885 H ASP B 68 -8.395 -5.455 6.314 1.00 0.00 H ATOM 886 N THR B 69 -6.559 -6.995 2.921 1.00 64.99 N ATOM 887 CA THR B 69 -5.231 -7.056 2.315 1.00 66.08 C ATOM 888 C THR B 69 -4.511 -5.703 2.262 1.00 66.24 C ATOM 889 O THR B 69 -3.309 -5.675 2.074 1.00 66.59 O ATOM 890 CB THR B 69 -5.246 -7.735 0.918 1.00 68.08 C ATOM 891 OG1 THR B 69 -6.446 -7.382 0.222 1.00 69.83 O ATOM 892 CG2 THR B 69 -5.174 -9.250 1.063 1.00 67.75 C ATOM 893 HA THR B 69 -4.649 -7.687 2.987 1.00 0.00 H ATOM 894 HB THR B 69 -4.379 -7.390 0.354 1.00 0.00 H ATOM 895 HG1 THR B 69 -6.451 -7.817 -0.667 1.00 0.00 H ATOM 896 HG23 THR B 69 -4.261 -9.520 1.593 1.00 0.00 H ATOM 897 HG21 THR B 69 -6.039 -9.601 1.625 1.00 0.00 H ATOM 898 HG22 THR B 69 -5.171 -9.709 0.074 1.00 0.00 H ATOM 899 H THR B 69 -7.397 -6.917 2.310 1.00 0.00 H ATOM 900 N ASP B 70 -5.236 -4.600 2.460 1.00 66.28 N ATOM 901 CA ASP B 70 -4.597 -3.272 2.584 1.00 67.42 C ATOM 902 C ASP B 70 -4.620 -2.679 4.005 1.00 66.35 C ATOM 903 O ASP B 70 -4.262 -1.495 4.193 1.00 65.96 O ATOM 904 CB ASP B 70 -5.211 -2.272 1.615 1.00 69.93 C ATOM 905 CG ASP B 70 -4.869 -2.571 0.184 1.00 73.08 C ATOM 906 OD1 ASP B 70 -4.033 -1.840 -0.387 1.00 75.38 O ATOM 907 OD2 ASP B 70 -5.424 -3.552 -0.362 1.00 74.84 O ATOM 908 HA ASP B 70 -3.551 -3.449 2.335 1.00 0.00 H ATOM 909 HB2 ASP B 70 -6.295 -2.296 1.728 1.00 0.00 H ATOM 910 HB3 ASP B 70 -4.844 -1.276 1.861 1.00 0.00 H ATOM 911 H ASP B 70 -6.271 -4.676 2.528 1.00 0.00 H ATOM 912 N GLY B 71 -5.061 -3.493 4.992 1.00 64.63 N ATOM 913 CA GLY B 71 -5.009 -3.123 6.399 1.00 62.63 C ATOM 914 C GLY B 71 -6.085 -2.188 6.956 1.00 62.47 C ATOM 915 O GLY B 71 -5.884 -1.587 8.028 1.00 61.85 O ATOM 916 HA3 GLY B 71 -4.046 -2.641 6.568 1.00 0.00 H ATOM 917 HA2 GLY B 71 -5.057 -4.047 6.975 1.00 0.00 H ATOM 918 H GLY B 71 -5.453 -4.421 4.735 1.00 0.00 H ATOM 919 N LEU B 72 -7.224 -2.062 6.263 1.00 62.92 N ATOM 920 CA LEU B 72 -8.410 -1.404 6.862 1.00 62.23 C ATOM 921 C LEU B 72 -9.212 -2.437 7.689 1.00 60.17 C ATOM 922 O LEU B 72 -9.262 -3.613 7.333 1.00 59.96 O ATOM 923 CB LEU B 72 -9.286 -0.686 5.789 1.00 63.98 C ATOM 924 CG LEU B 72 -10.242 0.513 6.138 1.00 64.47 C ATOM 925 CD1 LEU B 72 -11.276 0.254 7.272 1.00 57.67 C ATOM 926 CD2 LEU B 72 -9.506 1.869 6.382 1.00 64.55 C ATOM 927 HA LEU B 72 -8.072 -0.617 7.536 1.00 0.00 H ATOM 928 HB2 LEU B 72 -8.594 -0.311 5.035 1.00 0.00 H ATOM 929 HB3 LEU B 72 -9.917 -1.458 5.349 1.00 0.00 H ATOM 930 HG LEU B 72 -10.818 0.597 5.217 1.00 0.00 H ATOM 931 HD21 LEU B 72 -8.812 1.759 7.215 1.00 0.00 H ATOM 932 HD22 LEU B 72 -8.956 2.149 5.484 1.00 0.00 H ATOM 933 HD23 LEU B 72 -10.238 2.641 6.617 1.00 0.00 H ATOM 934 HD11 LEU B 72 -11.923 -0.577 6.990 1.00 0.00 H ATOM 935 HD12 LEU B 72 -10.749 0.009 8.194 1.00 0.00 H ATOM 936 HD13 LEU B 72 -11.879 1.149 7.424 1.00 0.00 H ATOM 937 H LEU B 72 -7.277 -2.431 5.292 1.00 0.00 H ATOM 938 N LEU B 73 -9.771 -1.995 8.825 1.00 59.00 N ATOM 939 CA LEU B 73 -10.544 -2.870 9.717 1.00 57.01 C ATOM 940 C LEU B 73 -11.948 -2.978 9.230 1.00 57.19 C ATOM 941 O LEU B 73 -12.514 -2.007 8.773 1.00 58.62 O ATOM 942 CB LEU B 73 -10.573 -2.319 11.144 1.00 56.04 C ATOM 943 CG LEU B 73 -9.347 -2.326 12.080 1.00 55.28 C ATOM 944 CD1 LEU B 73 -9.775 -1.764 13.396 1.00 55.64 C ATOM 945 CD2 LEU B 73 -8.763 -3.702 12.307 1.00 54.45 C ATOM 946 HA LEU B 73 -10.062 -3.848 9.718 1.00 0.00 H ATOM 947 HB2 LEU B 73 -10.876 -1.276 11.056 1.00 0.00 H ATOM 948 HB3 LEU B 73 -11.350 -2.879 11.665 1.00 0.00 H ATOM 949 HG LEU B 73 -8.567 -1.732 11.604 1.00 0.00 H ATOM 950 HD21 LEU B 73 -9.519 -4.346 12.756 1.00 0.00 H ATOM 951 HD22 LEU B 73 -8.446 -4.123 11.353 1.00 0.00 H ATOM 952 HD23 LEU B 73 -7.905 -3.626 12.975 1.00 0.00 H ATOM 953 HD11 LEU B 73 -10.138 -0.746 13.254 1.00 0.00 H ATOM 954 HD12 LEU B 73 -10.572 -2.381 13.811 1.00 0.00 H ATOM 955 HD13 LEU B 73 -8.926 -1.757 14.080 1.00 0.00 H ATOM 956 H LEU B 73 -9.653 -0.995 9.084 1.00 0.00 H ATOM 957 N TYR B 74 -12.541 -4.154 9.338 1.00 56.18 N ATOM 958 CA TYR B 74 -13.944 -4.290 8.953 1.00 56.18 C ATOM 959 C TYR B 74 -14.612 -5.391 9.766 1.00 55.73 C ATOM 960 O TYR B 74 -13.921 -6.145 10.465 1.00 55.13 O ATOM 961 CB TYR B 74 -14.098 -4.511 7.430 1.00 56.56 C ATOM 962 CG TYR B 74 -13.628 -5.862 6.946 1.00 56.14 C ATOM 963 CD1 TYR B 74 -14.500 -6.945 6.891 1.00 55.94 C ATOM 964 CD2 TYR B 74 -12.303 -6.066 6.562 1.00 53.03 C ATOM 965 CE1 TYR B 74 -14.063 -8.186 6.461 1.00 55.54 C ATOM 966 CE2 TYR B 74 -11.868 -7.288 6.143 1.00 52.78 C ATOM 967 CZ TYR B 74 -12.741 -8.344 6.093 1.00 55.03 C ATOM 968 OH TYR B 74 -12.292 -9.570 5.682 1.00 54.69 O ATOM 969 HA TYR B 74 -14.455 -3.354 9.180 1.00 0.00 H ATOM 970 HB3 TYR B 74 -13.521 -3.744 6.914 1.00 0.00 H ATOM 971 HB2 TYR B 74 -15.152 -4.405 7.174 1.00 0.00 H ATOM 972 HD2 TYR B 74 -11.602 -5.232 6.598 1.00 0.00 H ATOM 973 HE2 TYR B 74 -10.828 -7.425 5.848 1.00 0.00 H ATOM 974 HE1 TYR B 74 -14.753 -9.028 6.413 1.00 0.00 H ATOM 975 HD1 TYR B 74 -15.540 -6.814 7.190 1.00 0.00 H ATOM 976 HH TYR B 74 -13.040 -10.218 5.703 1.00 0.00 H ATOM 977 H TYR B 74 -12.013 -4.976 9.694 1.00 0.00 H ATOM 978 N GLY B 75 -15.948 -5.447 9.716 1.00 55.62 N ATOM 979 CA GLY B 75 -16.687 -6.590 10.230 1.00 54.94 C ATOM 980 C GLY B 75 -16.941 -7.634 9.156 1.00 56.55 C ATOM 981 O GLY B 75 -17.484 -7.331 8.103 1.00 57.47 O ATOM 982 HA3 GLY B 75 -17.645 -6.244 10.618 1.00 0.00 H ATOM 983 HA2 GLY B 75 -16.113 -7.047 11.036 1.00 0.00 H ATOM 984 H GLY B 75 -16.472 -4.652 9.298 1.00 0.00 H ATOM 985 N SER B 76 -16.531 -8.865 9.419 1.00 56.17 N ATOM 986 CA SER B 76 -16.784 -9.963 8.526 1.00 57.98 C ATOM 987 C SER B 76 -17.929 -10.810 9.076 1.00 60.03 C ATOM 988 O SER B 76 -18.169 -10.829 10.273 1.00 59.34 O ATOM 989 CB SER B 76 -15.515 -10.805 8.349 1.00 56.93 C ATOM 990 OG SER B 76 -15.789 -12.197 8.376 1.00 55.26 O ATOM 991 HA SER B 76 -17.071 -9.578 7.547 1.00 0.00 H ATOM 992 HB2 SER B 76 -14.820 -10.568 9.155 1.00 0.00 H ATOM 993 HB3 SER B 76 -15.058 -10.555 7.392 1.00 0.00 H ATOM 994 HG SER B 76 -14.945 -12.701 8.259 1.00 0.00 H ATOM 995 H SER B 76 -16.009 -9.044 10.300 1.00 0.00 H ATOM 996 N GLN B 77 -18.610 -11.529 8.196 1.00 63.59 N ATOM 997 CA GLN B 77 -19.788 -12.295 8.572 1.00 67.06 C ATOM 998 C GLN B 77 -19.367 -13.643 9.112 1.00 68.08 C ATOM 999 O GLN B 77 -20.198 -14.392 9.675 1.00 68.45 O ATOM 1000 CB GLN B 77 -20.685 -12.526 7.346 1.00 69.71 C ATOM 1001 CG GLN B 77 -21.444 -11.299 6.856 1.00 72.97 C ATOM 1002 CD GLN B 77 -20.546 -10.307 6.150 1.00 77.74 C ATOM 1003 OE1 GLN B 77 -20.180 -10.485 4.967 1.00 78.66 O ATOM 1004 NE2 GLN B 77 -20.172 -9.242 6.876 1.00 77.43 N ATOM 1005 HA GLN B 77 -20.335 -11.736 9.331 1.00 0.00 H ATOM 1006 HB2 GLN B 77 -20.056 -12.882 6.530 1.00 0.00 H ATOM 1007 HB3 GLN B 77 -21.415 -13.294 7.602 1.00 0.00 H ATOM 1008 HG2 GLN B 77 -22.221 -11.622 6.164 1.00 0.00 H ATOM 1009 HG3 GLN B 77 -21.904 -10.807 7.713 1.00 0.00 H ATOM 1010 HE22 GLN B 77 -20.503 -9.139 7.856 1.00 0.00 H ATOM 1011 HE21 GLN B 77 -19.551 -8.520 6.458 1.00 0.00 H ATOM 1012 H GLN B 77 -18.293 -11.546 7.206 1.00 0.00 H ATOM 1013 N THR B 78 -18.075 -13.946 8.931 1.00 68.40 N ATOM 1014 CA THR B 78 -17.560 -15.303 9.042 1.00 69.85 C ATOM 1015 C THR B 78 -16.185 -15.275 9.648 1.00 68.49 C ATOM 1016 O THR B 78 -15.366 -14.467 9.243 1.00 67.93 O ATOM 1017 CB THR B 78 -17.398 -15.968 7.636 1.00 72.10 C ATOM 1018 OG1 THR B 78 -18.226 -15.301 6.665 1.00 74.04 O ATOM 1019 CG2 THR B 78 -17.722 -17.487 7.690 1.00 73.09 C ATOM 1020 HA THR B 78 -18.269 -15.863 9.652 1.00 0.00 H ATOM 1021 HB THR B 78 -16.357 -15.864 7.331 1.00 0.00 H ATOM 1022 HG1 THR B 78 -18.111 -15.734 5.782 1.00 0.00 H ATOM 1023 HG23 THR B 78 -17.083 -17.967 8.431 1.00 0.00 H ATOM 1024 HG21 THR B 78 -18.767 -17.625 7.966 1.00 0.00 H ATOM 1025 HG22 THR B 78 -17.542 -17.931 6.711 1.00 0.00 H ATOM 1026 H THR B 78 -17.411 -13.179 8.701 1.00 0.00 H ATOM 1027 N PRO B 79 -15.911 -16.190 10.591 1.00 68.60 N ATOM 1028 CA PRO B 79 -14.562 -16.360 11.083 1.00 68.16 C ATOM 1029 C PRO B 79 -13.690 -16.963 9.982 1.00 69.69 C ATOM 1030 O PRO B 79 -13.831 -18.169 9.645 1.00 71.16 O ATOM 1031 CB PRO B 79 -14.736 -17.374 12.211 1.00 68.78 C ATOM 1032 CG PRO B 79 -15.875 -18.221 11.767 1.00 69.73 C ATOM 1033 CD PRO B 79 -16.805 -17.262 11.070 1.00 69.66 C ATOM 1034 HA PRO B 79 -14.091 -15.430 11.401 1.00 0.00 H ATOM 1035 HD3 PRO B 79 -17.311 -17.748 10.236 1.00 0.00 H ATOM 1036 HD2 PRO B 79 -17.548 -16.868 11.763 1.00 0.00 H ATOM 1037 HG3 PRO B 79 -16.368 -18.684 12.622 1.00 0.00 H ATOM 1038 HG2 PRO B 79 -15.535 -18.997 11.081 1.00 0.00 H ATOM 1039 HB2 PRO B 79 -13.834 -17.973 12.336 1.00 0.00 H ATOM 1040 HB3 PRO B 79 -14.970 -16.872 13.150 1.00 0.00 H ATOM 1041 N ASN B 80 -12.826 -16.132 9.398 1.00 68.85 N ATOM 1042 CA ASN B 80 -11.830 -16.628 8.469 1.00 69.18 C ATOM 1043 C ASN B 80 -10.450 -16.101 8.796 1.00 67.76 C ATOM 1044 O ASN B 80 -10.247 -15.400 9.796 1.00 66.43 O ATOM 1045 CB ASN B 80 -12.211 -16.297 7.021 1.00 70.70 C ATOM 1046 CG ASN B 80 -12.328 -14.813 6.771 1.00 70.01 C ATOM 1047 OD1 ASN B 80 -11.767 -14.006 7.494 1.00 71.37 O ATOM 1048 ND2 ASN B 80 -13.049 -14.449 5.731 1.00 71.08 N ATOM 1049 HA ASN B 80 -11.802 -17.713 8.573 1.00 0.00 H ATOM 1050 HB2 ASN B 80 -11.447 -16.703 6.358 1.00 0.00 H ATOM 1051 HB3 ASN B 80 -13.170 -16.765 6.797 1.00 0.00 H ATOM 1052 HD22 ASN B 80 -13.511 -15.170 5.140 1.00 0.00 H ATOM 1053 HD21 ASN B 80 -13.157 -13.441 5.500 1.00 0.00 H ATOM 1054 H ASN B 80 -12.867 -15.115 9.612 1.00 0.00 H ATOM 1055 N GLU B 81 -9.506 -16.429 7.930 1.00 67.45 N ATOM 1056 CA GLU B 81 -8.117 -16.113 8.142 1.00 65.82 C ATOM 1057 C GLU B 81 -7.907 -14.637 8.489 1.00 62.96 C ATOM 1058 O GLU B 81 -7.140 -14.334 9.381 1.00 62.58 O ATOM 1059 CB GLU B 81 -7.317 -16.518 6.917 1.00 67.32 C ATOM 1060 CG GLU B 81 -7.454 -18.023 6.569 1.00 71.48 C ATOM 1061 CD GLU B 81 -8.773 -18.393 5.828 1.00 74.56 C ATOM 1062 OE1 GLU B 81 -9.802 -18.662 6.491 1.00 74.69 O ATOM 1063 OE2 GLU B 81 -8.759 -18.452 4.579 1.00 76.94 O ATOM 1064 HA GLU B 81 -7.762 -16.679 9.003 1.00 0.00 H ATOM 1065 HB2 GLU B 81 -7.665 -15.932 6.066 1.00 0.00 H ATOM 1066 HB3 GLU B 81 -6.265 -16.299 7.102 1.00 0.00 H ATOM 1067 HG2 GLU B 81 -6.615 -18.304 5.933 1.00 0.00 H ATOM 1068 HG3 GLU B 81 -7.412 -18.593 7.497 1.00 0.00 H ATOM 1069 H GLU B 81 -9.777 -16.935 7.063 1.00 0.00 H ATOM 1070 N GLU B 82 -8.633 -13.737 7.830 1.00 60.87 N ATOM 1071 CA GLU B 82 -8.456 -12.278 8.031 1.00 57.71 C ATOM 1072 C GLU B 82 -8.974 -11.734 9.360 1.00 54.15 C ATOM 1073 O GLU B 82 -8.846 -10.537 9.629 1.00 52.25 O ATOM 1074 CB GLU B 82 -9.083 -11.492 6.866 1.00 59.06 C ATOM 1075 CG GLU B 82 -8.131 -11.290 5.683 1.00 62.77 C ATOM 1076 CD GLU B 82 -8.841 -10.922 4.379 1.00 67.65 C ATOM 1077 OE1 GLU B 82 -8.374 -9.992 3.673 1.00 69.64 O ATOM 1078 OE2 GLU B 82 -9.853 -11.574 4.052 1.00 69.54 O ATOM 1079 HA GLU B 82 -7.376 -12.133 8.058 1.00 0.00 H ATOM 1080 HB2 GLU B 82 -9.960 -12.036 6.515 1.00 0.00 H ATOM 1081 HB3 GLU B 82 -9.388 -10.513 7.235 1.00 0.00 H ATOM 1082 HG2 GLU B 82 -7.435 -10.490 5.934 1.00 0.00 H ATOM 1083 HG3 GLU B 82 -7.577 -12.215 5.524 1.00 0.00 H ATOM 1084 H GLU B 82 -9.348 -14.068 7.151 1.00 0.00 H ATOM 1085 N CYS B 83 -9.550 -12.621 10.179 1.00 51.90 N ATOM 1086 CA CYS B 83 -10.156 -12.270 11.472 1.00 49.59 C ATOM 1087 C CYS B 83 -9.343 -12.714 12.677 1.00 48.07 C ATOM 1088 O CYS B 83 -9.740 -12.489 13.812 1.00 47.22 O ATOM 1089 CB CYS B 83 -11.523 -12.921 11.612 1.00 50.03 C ATOM 1090 SG CYS B 83 -12.659 -12.583 10.348 1.00 51.97 S ATOM 1091 HA CYS B 83 -10.210 -11.181 11.466 1.00 0.00 H ATOM 1092 HB2 CYS B 83 -11.959 -12.583 12.552 1.00 0.00 H ATOM 1093 HB3 CYS B 83 -11.376 -14.000 11.649 1.00 0.00 H ATOM 1094 HG CYS B 83 -12.147 -13.020 9.143 1.00 0.00 H ATOM 1095 H CYS B 83 -9.570 -13.618 9.884 1.00 0.00 H ATOM 1096 N LEU B 84 -8.236 -13.392 12.427 1.00 48.05 N ATOM 1097 CA LEU B 84 -7.414 -13.967 13.491 1.00 47.21 C ATOM 1098 C LEU B 84 -6.356 -12.974 13.923 1.00 45.13 C ATOM 1099 O LEU B 84 -5.632 -12.449 13.103 1.00 44.51 O ATOM 1100 CB LEU B 84 -6.766 -15.267 13.002 1.00 48.07 C ATOM 1101 CG LEU B 84 -7.241 -16.562 13.633 1.00 50.42 C ATOM 1102 CD1 LEU B 84 -6.442 -17.734 13.064 1.00 54.12 C ATOM 1103 CD2 LEU B 84 -7.086 -16.520 15.129 1.00 48.92 C ATOM 1104 HA LEU B 84 -8.045 -14.194 14.350 1.00 0.00 H ATOM 1105 HB2 LEU B 84 -6.946 -15.340 11.929 1.00 0.00 H ATOM 1106 HB3 LEU B 84 -5.694 -15.188 13.184 1.00 0.00 H ATOM 1107 HG LEU B 84 -8.298 -16.691 13.401 1.00 0.00 H ATOM 1108 HD21 LEU B 84 -6.036 -16.372 15.380 1.00 0.00 H ATOM 1109 HD22 LEU B 84 -7.676 -15.697 15.531 1.00 0.00 H ATOM 1110 HD23 LEU B 84 -7.434 -17.461 15.556 1.00 0.00 H ATOM 1111 HD11 LEU B 84 -6.588 -17.782 11.985 1.00 0.00 H ATOM 1112 HD12 LEU B 84 -5.384 -17.591 13.283 1.00 0.00 H ATOM 1113 HD13 LEU B 84 -6.786 -18.662 13.520 1.00 0.00 H ATOM 1114 H LEU B 84 -7.939 -13.521 11.439 1.00 0.00 H ATOM 1115 N PHE B 85 -6.281 -12.698 15.214 1.00 43.97 N ATOM 1116 CA PHE B 85 -5.298 -11.718 15.702 1.00 43.41 C ATOM 1117 C PHE B 85 -4.392 -12.309 16.788 1.00 43.01 C ATOM 1118 O PHE B 85 -4.838 -13.102 17.606 1.00 43.38 O ATOM 1119 CB PHE B 85 -5.975 -10.457 16.231 1.00 41.87 C ATOM 1120 CG PHE B 85 -6.745 -9.700 15.205 1.00 42.42 C ATOM 1121 CD1 PHE B 85 -6.208 -8.551 14.623 1.00 44.54 C ATOM 1122 CD2 PHE B 85 -8.049 -10.070 14.875 1.00 43.63 C ATOM 1123 CE1 PHE B 85 -6.925 -7.815 13.677 1.00 43.31 C ATOM 1124 CE2 PHE B 85 -8.775 -9.337 13.940 1.00 43.43 C ATOM 1125 CZ PHE B 85 -8.203 -8.208 13.333 1.00 43.42 C ATOM 1126 HA PHE B 85 -4.681 -11.451 14.844 1.00 0.00 H ATOM 1127 HB2 PHE B 85 -6.660 -10.745 17.029 1.00 0.00 H ATOM 1128 HB3 PHE B 85 -5.205 -9.799 16.635 1.00 0.00 H ATOM 1129 HD2 PHE B 85 -8.502 -10.939 15.352 1.00 0.00 H ATOM 1130 HE2 PHE B 85 -9.789 -9.640 13.679 1.00 0.00 H ATOM 1131 HZ PHE B 85 -8.767 -7.642 12.591 1.00 0.00 H ATOM 1132 HE1 PHE B 85 -6.478 -6.936 13.213 1.00 0.00 H ATOM 1133 HD1 PHE B 85 -5.210 -8.222 14.912 1.00 0.00 H ATOM 1134 H PHE B 85 -6.917 -13.174 15.885 1.00 0.00 H ATOM 1135 N LEU B 86 -3.128 -11.911 16.779 1.00 42.27 N ATOM 1136 CA LEU B 86 -2.222 -12.264 17.838 1.00 42.66 C ATOM 1137 C LEU B 86 -2.401 -11.326 19.026 1.00 42.92 C ATOM 1138 O LEU B 86 -2.190 -10.082 18.934 1.00 42.03 O ATOM 1139 CB LEU B 86 -0.783 -12.255 17.328 1.00 43.15 C ATOM 1140 CG LEU B 86 -0.511 -13.131 16.078 1.00 45.28 C ATOM 1141 CD1 LEU B 86 0.905 -12.873 15.437 1.00 45.79 C ATOM 1142 CD2 LEU B 86 -0.734 -14.667 16.331 1.00 43.53 C ATOM 1143 HA LEU B 86 -2.449 -13.275 18.178 1.00 0.00 H ATOM 1144 HB2 LEU B 86 -0.521 -11.226 17.081 1.00 0.00 H ATOM 1145 HB3 LEU B 86 -0.139 -12.609 18.133 1.00 0.00 H ATOM 1146 HG LEU B 86 -1.261 -12.811 15.355 1.00 0.00 H ATOM 1147 HD21 LEU B 86 -0.063 -15.005 17.121 1.00 0.00 H ATOM 1148 HD22 LEU B 86 -1.767 -14.838 16.633 1.00 0.00 H ATOM 1149 HD23 LEU B 86 -0.526 -15.219 15.414 1.00 0.00 H ATOM 1150 HD11 LEU B 86 0.979 -11.829 15.132 1.00 0.00 H ATOM 1151 HD12 LEU B 86 1.680 -13.094 16.171 1.00 0.00 H ATOM 1152 HD13 LEU B 86 1.031 -13.517 14.567 1.00 0.00 H ATOM 1153 H LEU B 86 -2.784 -11.330 15.988 1.00 0.00 H ATOM 1154 N GLU B 87 -2.829 -11.908 20.138 1.00 43.34 N ATOM 1155 CA GLU B 87 -2.986 -11.156 21.373 1.00 43.91 C ATOM 1156 C GLU B 87 -1.719 -11.195 22.238 1.00 44.29 C ATOM 1157 O GLU B 87 -1.260 -12.248 22.666 1.00 45.12 O ATOM 1158 CB GLU B 87 -4.171 -11.692 22.137 1.00 44.64 C ATOM 1159 CG GLU B 87 -4.557 -10.891 23.381 1.00 47.83 C ATOM 1160 CD GLU B 87 -5.712 -11.541 24.142 1.00 50.58 C ATOM 1161 OE1 GLU B 87 -5.530 -12.672 24.664 1.00 49.29 O ATOM 1162 OE2 GLU B 87 -6.792 -10.913 24.216 1.00 53.09 O ATOM 1163 HA GLU B 87 -3.158 -10.111 21.116 1.00 0.00 H ATOM 1164 HB2 GLU B 87 -5.029 -11.706 21.464 1.00 0.00 H ATOM 1165 HB3 GLU B 87 -3.939 -12.710 22.449 1.00 0.00 H ATOM 1166 HG2 GLU B 87 -3.692 -10.826 24.041 1.00 0.00 H ATOM 1167 HG3 GLU B 87 -4.856 -9.888 23.076 1.00 0.00 H ATOM 1168 H GLU B 87 -3.057 -12.923 20.127 1.00 0.00 H ATOM 1169 N ARG B 88 -1.155 -10.028 22.475 1.00 44.73 N ATOM 1170 CA ARG B 88 0.076 -9.926 23.237 1.00 45.91 C ATOM 1171 C ARG B 88 -0.073 -8.928 24.340 1.00 47.41 C ATOM 1172 O ARG B 88 -0.346 -7.748 24.086 1.00 47.41 O ATOM 1173 CB ARG B 88 1.246 -9.504 22.334 1.00 45.36 C ATOM 1174 CG ARG B 88 1.558 -10.461 21.166 1.00 42.03 C ATOM 1175 CD ARG B 88 1.925 -11.860 21.621 1.00 37.67 C ATOM 1176 NE ARG B 88 2.194 -12.731 20.497 1.00 33.85 N ATOM 1177 CZ ARG B 88 1.415 -13.735 20.113 1.00 35.80 C ATOM 1178 NH1 ARG B 88 0.281 -14.033 20.762 1.00 35.35 N ATOM 1179 NH2 ARG B 88 1.766 -14.446 19.067 1.00 37.38 N ATOM 1180 HA ARG B 88 0.286 -10.909 23.659 1.00 0.00 H ATOM 1181 HB2 ARG B 88 1.011 -8.526 21.914 1.00 0.00 H ATOM 1182 HB3 ARG B 88 2.139 -9.427 22.954 1.00 0.00 H ATOM 1183 HG2 ARG B 88 0.678 -10.524 20.525 1.00 0.00 H ATOM 1184 HG3 ARG B 88 2.392 -10.052 20.596 1.00 0.00 H ATOM 1185 HD2 ARG B 88 1.098 -12.273 22.199 1.00 0.00 H ATOM 1186 HD3 ARG B 88 2.815 -11.806 22.249 1.00 0.00 H ATOM 1187 HE ARG B 88 3.061 -12.558 19.950 1.00 0.00 H ATOM 1188 HH12 ARG B 88 -0.310 -14.825 20.439 1.00 0.00 H ATOM 1189 HH11 ARG B 88 -0.008 -13.472 21.589 1.00 0.00 H ATOM 1190 HH22 ARG B 88 1.168 -15.236 18.751 1.00 0.00 H ATOM 1191 HH21 ARG B 88 2.642 -14.219 18.554 1.00 0.00 H ATOM 1192 H ARG B 88 -1.601 -9.163 22.109 1.00 0.00 H ATOM 1193 N LEU B 89 0.078 -9.412 25.567 1.00 49.89 N ATOM 1194 CA LEU B 89 0.346 -8.577 26.738 1.00 52.67 C ATOM 1195 C LEU B 89 1.434 -7.551 26.413 1.00 54.74 C ATOM 1196 O LEU B 89 2.465 -7.897 25.895 1.00 54.77 O ATOM 1197 CB LEU B 89 0.855 -9.470 27.857 1.00 53.58 C ATOM 1198 CG LEU B 89 0.205 -9.402 29.227 1.00 54.57 C ATOM 1199 CD1 LEU B 89 1.117 -10.056 30.245 1.00 54.12 C ATOM 1200 CD2 LEU B 89 -0.110 -7.970 29.605 1.00 53.40 C ATOM 1201 HA LEU B 89 -0.568 -8.060 27.031 1.00 0.00 H ATOM 1202 HB2 LEU B 89 0.756 -10.499 27.511 1.00 0.00 H ATOM 1203 HB3 LEU B 89 1.910 -9.234 27.995 1.00 0.00 H ATOM 1204 HG LEU B 89 -0.741 -9.942 29.205 1.00 0.00 H ATOM 1205 HD21 LEU B 89 0.812 -7.390 29.625 1.00 0.00 H ATOM 1206 HD22 LEU B 89 -0.793 -7.544 28.871 1.00 0.00 H ATOM 1207 HD23 LEU B 89 -0.575 -7.950 30.591 1.00 0.00 H ATOM 1208 HD11 LEU B 89 1.280 -11.098 29.968 1.00 0.00 H ATOM 1209 HD12 LEU B 89 2.072 -9.530 30.266 1.00 0.00 H ATOM 1210 HD13 LEU B 89 0.653 -10.009 31.230 1.00 0.00 H ATOM 1211 H LEU B 89 0.002 -10.440 25.703 1.00 0.00 H ATOM 1212 N GLU B 90 1.216 -6.287 26.729 1.00 58.32 N ATOM 1213 CA GLU B 90 2.161 -5.273 26.286 1.00 61.69 C ATOM 1214 C GLU B 90 2.797 -4.483 27.400 1.00 64.82 C ATOM 1215 O GLU B 90 2.805 -3.255 27.348 1.00 66.88 O ATOM 1216 CB GLU B 90 1.517 -4.335 25.277 1.00 60.15 C ATOM 1217 CG GLU B 90 2.461 -3.940 24.132 1.00 62.73 C ATOM 1218 CD GLU B 90 3.178 -5.138 23.503 1.00 64.88 C ATOM 1219 OE1 GLU B 90 4.435 -5.117 23.434 1.00 68.34 O ATOM 1220 OE2 GLU B 90 2.494 -6.098 23.088 1.00 63.16 O ATOM 1221 HA GLU B 90 2.972 -5.827 25.812 1.00 0.00 H ATOM 1222 HB2 GLU B 90 0.644 -4.830 24.852 1.00 0.00 H ATOM 1223 HB3 GLU B 90 1.203 -3.429 25.796 1.00 0.00 H ATOM 1224 HG2 GLU B 90 1.878 -3.439 23.359 1.00 0.00 H ATOM 1225 HG3 GLU B 90 3.211 -3.252 24.522 1.00 0.00 H ATOM 1226 H GLU B 90 0.380 -6.020 27.287 1.00 0.00 H ATOM 1227 N GLU B 91 3.400 -5.171 28.367 1.00 67.91 N ATOM 1228 CA GLU B 91 3.648 -4.566 29.683 1.00 71.25 C ATOM 1229 C GLU B 91 2.360 -3.790 29.962 1.00 70.42 C ATOM 1230 O GLU B 91 1.322 -4.171 29.414 1.00 69.47 O ATOM 1231 CB GLU B 91 4.908 -3.653 29.729 1.00 73.28 C ATOM 1232 CG GLU B 91 6.018 -3.923 28.662 1.00 76.35 C ATOM 1233 CD GLU B 91 6.044 -2.845 27.534 1.00 80.54 C ATOM 1234 OE1 GLU B 91 6.308 -1.643 27.836 1.00 80.62 O ATOM 1235 OE2 GLU B 91 5.800 -3.209 26.351 1.00 80.29 O ATOM 1236 HA GLU B 91 3.871 -5.320 30.438 1.00 0.00 H ATOM 1237 HB2 GLU B 91 4.573 -2.623 29.603 1.00 0.00 H ATOM 1238 HB3 GLU B 91 5.362 -3.768 30.713 1.00 0.00 H ATOM 1239 HG2 GLU B 91 6.987 -3.930 29.161 1.00 0.00 H ATOM 1240 HG3 GLU B 91 5.837 -4.898 28.209 1.00 0.00 H ATOM 1241 H GLU B 91 3.700 -6.151 28.189 1.00 0.00 H ATOM 1242 N ASN B 92 2.404 -2.728 30.781 1.00 70.66 N ATOM 1243 CA ASN B 92 1.194 -1.951 31.109 1.00 69.38 C ATOM 1244 C ASN B 92 -0.071 -2.797 31.343 1.00 67.56 C ATOM 1245 O ASN B 92 -0.993 -2.373 32.046 1.00 68.12 O ATOM 1246 CB ASN B 92 0.911 -0.924 30.006 1.00 69.31 C ATOM 1247 CG ASN B 92 1.721 0.373 30.166 1.00 72.69 C ATOM 1248 OD1 ASN B 92 2.467 0.564 31.143 1.00 75.83 O ATOM 1249 ND2 ASN B 92 1.573 1.275 29.190 1.00 74.87 N ATOM 1250 HA ASN B 92 1.417 -1.463 32.058 1.00 0.00 H ATOM 1251 HB2 ASN B 92 1.159 -1.371 29.043 1.00 0.00 H ATOM 1252 HB3 ASN B 92 -0.150 -0.675 30.027 1.00 0.00 H ATOM 1253 HD22 ASN B 92 0.939 1.076 28.390 1.00 0.00 H ATOM 1254 HD21 ASN B 92 2.092 2.175 29.231 1.00 0.00 H ATOM 1255 H ASN B 92 3.315 -2.445 31.195 1.00 0.00 H ATOM 1256 N HIS B 93 -0.124 -3.959 30.690 1.00 65.28 N ATOM 1257 CA HIS B 93 -1.199 -4.981 30.835 1.00 63.27 C ATOM 1258 C HIS B 93 -2.477 -4.718 30.040 1.00 59.61 C ATOM 1259 O HIS B 93 -3.405 -5.547 29.969 1.00 58.86 O ATOM 1260 CB HIS B 93 -1.395 -5.352 32.289 1.00 65.77 C ATOM 1261 CG HIS B 93 -0.108 -5.761 32.944 1.00 71.26 C ATOM 1262 ND1 HIS B 93 0.244 -7.086 33.138 1.00 73.51 N ATOM 1263 CD2 HIS B 93 0.957 -5.022 33.352 1.00 74.49 C ATOM 1264 CE1 HIS B 93 1.447 -7.140 33.690 1.00 77.15 C ATOM 1265 NE2 HIS B 93 1.901 -5.902 33.830 1.00 78.66 N ATOM 1266 HA HIS B 93 -0.840 -5.879 30.332 1.00 0.00 H ATOM 1267 HB2 HIS B 93 -1.802 -4.492 32.820 1.00 0.00 H ATOM 1268 HB3 HIS B 93 -2.100 -6.181 32.349 1.00 0.00 H ATOM 1269 HD2 HIS B 93 1.047 -3.937 33.309 1.00 0.00 H ATOM 1270 HE1 HIS B 93 1.975 -8.049 33.980 1.00 0.00 H ATOM 1271 H HIS B 93 0.648 -4.169 30.025 1.00 0.00 H ATOM 1272 N TYR B 94 -2.474 -3.575 29.384 1.00 56.21 N ATOM 1273 CA TYR B 94 -3.101 -3.453 28.116 1.00 52.20 C ATOM 1274 C TYR B 94 -2.571 -4.585 27.193 1.00 50.92 C ATOM 1275 O TYR B 94 -1.543 -5.212 27.476 1.00 50.79 O ATOM 1276 CB TYR B 94 -2.787 -2.091 27.550 1.00 51.17 C ATOM 1277 CG TYR B 94 -3.618 -0.976 28.158 1.00 51.88 C ATOM 1278 CD1 TYR B 94 -4.532 -0.274 27.389 1.00 50.87 C ATOM 1279 CD2 TYR B 94 -3.480 -0.613 29.501 1.00 53.65 C ATOM 1280 CE1 TYR B 94 -5.294 0.738 27.926 1.00 52.04 C ATOM 1281 CE2 TYR B 94 -4.244 0.393 30.048 1.00 53.99 C ATOM 1282 CZ TYR B 94 -5.152 1.078 29.255 1.00 53.82 C ATOM 1283 OH TYR B 94 -5.931 2.105 29.785 1.00 53.66 O ATOM 1284 HA TYR B 94 -4.183 -3.550 28.199 1.00 0.00 H ATOM 1285 HB3 TYR B 94 -2.971 -2.113 26.476 1.00 0.00 H ATOM 1286 HB2 TYR B 94 -1.734 -1.876 27.732 1.00 0.00 H ATOM 1287 HD2 TYR B 94 -2.755 -1.135 30.125 1.00 0.00 H ATOM 1288 HE2 TYR B 94 -4.135 0.650 31.102 1.00 0.00 H ATOM 1289 HE1 TYR B 94 -6.010 1.271 27.301 1.00 0.00 H ATOM 1290 HD1 TYR B 94 -4.650 -0.529 26.336 1.00 0.00 H ATOM 1291 HH TYR B 94 -6.515 2.474 29.076 1.00 0.00 H ATOM 1292 H TYR B 94 -2.004 -2.747 29.803 1.00 0.00 H ATOM 1293 N ASN B 95 -3.307 -4.861 26.121 1.00 48.90 N ATOM 1294 CA ASN B 95 -2.880 -5.788 25.087 1.00 47.51 C ATOM 1295 C ASN B 95 -2.725 -5.058 23.777 1.00 46.39 C ATOM 1296 O ASN B 95 -3.310 -3.991 23.572 1.00 44.80 O ATOM 1297 CB ASN B 95 -3.947 -6.861 24.875 1.00 47.17 C ATOM 1298 CG ASN B 95 -3.940 -7.916 25.931 1.00 47.34 C ATOM 1299 OD1 ASN B 95 -2.946 -8.157 26.553 1.00 52.87 O ATOM 1300 ND2 ASN B 95 -5.063 -8.594 26.100 1.00 50.80 N ATOM 1301 HA ASN B 95 -1.936 -6.234 25.401 1.00 0.00 H ATOM 1302 HB2 ASN B 95 -4.925 -6.381 24.872 1.00 0.00 H ATOM 1303 HB3 ASN B 95 -3.774 -7.336 23.909 1.00 0.00 H ATOM 1304 HD22 ASN B 95 -5.905 -8.353 25.539 1.00 0.00 H ATOM 1305 HD21 ASN B 95 -5.104 -9.368 26.794 1.00 0.00 H ATOM 1306 H ASN B 95 -4.230 -4.392 26.018 1.00 0.00 H ATOM 1307 N THR B 96 -1.967 -5.661 22.866 1.00 46.29 N ATOM 1308 CA THR B 96 -2.090 -5.339 21.454 1.00 44.80 C ATOM 1309 C THR B 96 -2.592 -6.545 20.713 1.00 44.67 C ATOM 1310 O THR B 96 -2.404 -7.720 21.155 1.00 45.23 O ATOM 1311 CB THR B 96 -0.796 -5.003 20.832 1.00 45.34 C ATOM 1312 OG1 THR B 96 0.086 -6.139 20.949 1.00 47.76 O ATOM 1313 CG2 THR B 96 -0.208 -3.785 21.484 1.00 45.42 C ATOM 1314 HA THR B 96 -2.764 -4.484 21.394 1.00 0.00 H ATOM 1315 HB THR B 96 -0.937 -4.773 19.776 1.00 0.00 H ATOM 1316 HG1 THR B 96 -0.317 -6.917 20.487 1.00 0.00 H ATOM 1317 HG23 THR B 96 -0.898 -2.948 21.377 1.00 0.00 H ATOM 1318 HG21 THR B 96 -0.040 -3.986 22.542 1.00 0.00 H ATOM 1319 HG22 THR B 96 0.740 -3.539 21.004 1.00 0.00 H ATOM 1320 H THR B 96 -1.274 -6.375 23.169 1.00 0.00 H ATOM 1321 N TYR B 97 -3.225 -6.259 19.590 1.00 43.45 N ATOM 1322 CA TYR B 97 -3.775 -7.240 18.708 1.00 41.44 C ATOM 1323 C TYR B 97 -3.253 -6.966 17.339 1.00 42.14 C ATOM 1324 O TYR B 97 -3.419 -5.914 16.804 1.00 41.05 O ATOM 1325 CB TYR B 97 -5.279 -7.176 18.740 1.00 40.48 C ATOM 1326 CG TYR B 97 -5.821 -7.497 20.080 1.00 39.55 C ATOM 1327 CD1 TYR B 97 -6.196 -8.770 20.393 1.00 38.05 C ATOM 1328 CD2 TYR B 97 -5.949 -6.539 21.032 1.00 36.70 C ATOM 1329 CE1 TYR B 97 -6.685 -9.080 21.612 1.00 33.93 C ATOM 1330 CE2 TYR B 97 -6.434 -6.853 22.258 1.00 37.91 C ATOM 1331 CZ TYR B 97 -6.786 -8.135 22.533 1.00 36.44 C ATOM 1332 OH TYR B 97 -7.271 -8.467 23.737 1.00 37.71 O ATOM 1333 HA TYR B 97 -3.485 -8.244 19.016 1.00 0.00 H ATOM 1334 HB3 TYR B 97 -5.677 -7.890 18.019 1.00 0.00 H ATOM 1335 HB2 TYR B 97 -5.594 -6.170 18.465 1.00 0.00 H ATOM 1336 HD2 TYR B 97 -5.660 -5.512 20.810 1.00 0.00 H ATOM 1337 HE2 TYR B 97 -6.541 -6.080 23.019 1.00 0.00 H ATOM 1338 HE1 TYR B 97 -6.994 -10.101 21.836 1.00 0.00 H ATOM 1339 HD1 TYR B 97 -6.099 -9.554 19.642 1.00 0.00 H ATOM 1340 HH TYR B 97 -7.471 -9.436 23.755 1.00 0.00 H ATOM 1341 H TYR B 97 -3.330 -5.257 19.331 1.00 0.00 H ATOM 1342 N ILE B 98 -2.590 -7.961 16.794 1.00 44.31 N ATOM 1343 CA ILE B 98 -1.902 -7.860 15.547 1.00 46.32 C ATOM 1344 C ILE B 98 -2.488 -8.795 14.524 1.00 46.18 C ATOM 1345 O ILE B 98 -2.671 -9.950 14.790 1.00 45.82 O ATOM 1346 CB ILE B 98 -0.445 -8.284 15.725 1.00 31.96 C ATOM 1347 CG1 ILE B 98 -0.063 -8.272 17.193 1.00 31.93 C ATOM 1348 CG2 ILE B 98 0.477 -7.381 14.944 1.00 32.56 C ATOM 1349 CD1 ILE B 98 1.077 -7.362 17.516 1.00 32.45 C ATOM 1350 HA ILE B 98 -1.990 -6.825 15.216 1.00 0.00 H ATOM 1351 HB ILE B 98 -0.341 -9.299 15.342 1.00 0.00 H ATOM 1352 HG12 ILE B 98 -0.931 -7.954 17.771 1.00 0.00 H ATOM 1353 HG13 ILE B 98 0.214 -9.285 17.484 1.00 0.00 H ATOM 1354 HD11 ILE B 98 1.959 -7.673 16.956 1.00 0.00 H ATOM 1355 HD12 ILE B 98 0.813 -6.340 17.243 1.00 0.00 H ATOM 1356 HD13 ILE B 98 1.288 -7.411 18.584 1.00 0.00 H ATOM 1357 HG21 ILE B 98 0.223 -7.433 13.885 1.00 0.00 H ATOM 1358 HG22 ILE B 98 0.364 -6.356 15.297 1.00 0.00 H ATOM 1359 HG23 ILE B 98 1.508 -7.704 15.088 1.00 0.00 H ATOM 1360 H ILE B 98 -2.565 -8.870 17.298 1.00 0.00 H ATOM 1361 N SER B 99 -2.762 -8.277 13.343 1.00 46.35 N ATOM 1362 CA SER B 99 -3.179 -9.111 12.230 1.00 46.08 C ATOM 1363 C SER B 99 -2.336 -10.362 12.182 1.00 46.52 C ATOM 1364 O SER B 99 -1.134 -10.260 12.054 1.00 47.09 O ATOM 1365 CB SER B 99 -2.978 -8.299 10.956 1.00 46.07 C ATOM 1366 OG SER B 99 -3.635 -8.867 9.860 1.00 46.12 O ATOM 1367 HA SER B 99 -4.222 -9.408 12.338 1.00 0.00 H ATOM 1368 HB2 SER B 99 -1.911 -8.246 10.738 1.00 0.00 H ATOM 1369 HB3 SER B 99 -3.366 -7.293 11.116 1.00 0.00 H ATOM 1370 HG SER B 99 -3.478 -8.309 9.057 1.00 0.00 H ATOM 1371 H SER B 99 -2.678 -7.250 13.206 1.00 0.00 H ATOM 1372 N LYS B 100 -2.929 -11.543 12.306 1.00 47.14 N ATOM 1373 CA LYS B 100 -2.117 -12.753 12.099 1.00 49.68 C ATOM 1374 C LYS B 100 -1.696 -12.938 10.645 1.00 51.49 C ATOM 1375 O LYS B 100 -0.630 -13.486 10.367 1.00 51.77 O ATOM 1376 CB LYS B 100 -2.763 -14.033 12.618 1.00 49.67 C ATOM 1377 CG LYS B 100 -1.887 -15.272 12.318 1.00 51.63 C ATOM 1378 CD LYS B 100 -2.685 -16.559 12.388 1.00 54.43 C ATOM 1379 CE LYS B 100 -1.814 -17.758 12.109 1.00 58.24 C ATOM 1380 NZ LYS B 100 -2.657 -18.986 12.000 1.00 61.01 N ATOM 1381 HA LYS B 100 -1.226 -12.576 12.701 1.00 0.00 H ATOM 1382 HB2 LYS B 100 -2.901 -13.949 13.696 1.00 0.00 H ATOM 1383 HB3 LYS B 100 -3.733 -14.160 12.138 1.00 0.00 H ATOM 1384 HG2 LYS B 100 -1.466 -15.172 11.318 1.00 0.00 H ATOM 1385 HG3 LYS B 100 -1.079 -15.318 13.048 1.00 0.00 H ATOM 1386 HD2 LYS B 100 -3.116 -16.657 13.384 1.00 0.00 H ATOM 1387 HD3 LYS B 100 -3.486 -16.522 11.649 1.00 0.00 H ATOM 1388 HE2 LYS B 100 -1.098 -17.882 12.922 1.00 0.00 H ATOM 1389 HE3 LYS B 100 -1.276 -17.604 11.173 1.00 0.00 H ATOM 1390 HZ1 LYS B 100 -3.169 -19.134 12.893 1.00 0.00 H ATOM 1391 HZ2 LYS B 100 -3.339 -18.869 11.224 1.00 0.00 H ATOM 1392 HZ3 LYS B 100 -2.048 -19.807 11.808 1.00 0.00 H ATOM 1393 H LYS B 100 -3.939 -11.611 12.543 1.00 0.00 H ATOM 1394 N LYS B 101 -2.520 -12.476 9.725 1.00 52.77 N ATOM 1395 CA LYS B 101 -2.210 -12.671 8.335 1.00 56.27 C ATOM 1396 C LYS B 101 -1.133 -11.719 7.874 1.00 57.14 C ATOM 1397 O LYS B 101 -0.343 -12.056 7.006 1.00 59.44 O ATOM 1398 CB LYS B 101 -3.460 -12.527 7.463 1.00 57.35 C ATOM 1399 CG LYS B 101 -3.391 -13.340 6.172 1.00 61.21 C ATOM 1400 CD LYS B 101 -4.512 -12.954 5.236 1.00 64.87 C ATOM 1401 CE LYS B 101 -4.168 -13.305 3.816 1.00 69.12 C ATOM 1402 NZ LYS B 101 -4.408 -12.105 2.942 1.00 73.55 N ATOM 1403 HA LYS B 101 -1.833 -13.688 8.226 1.00 0.00 H ATOM 1404 HB2 LYS B 101 -4.324 -12.862 8.038 1.00 0.00 H ATOM 1405 HB3 LYS B 101 -3.583 -11.475 7.204 1.00 0.00 H ATOM 1406 HG2 LYS B 101 -2.435 -13.153 5.682 1.00 0.00 H ATOM 1407 HG3 LYS B 101 -3.474 -14.400 6.412 1.00 0.00 H ATOM 1408 HD2 LYS B 101 -5.419 -13.485 5.526 1.00 0.00 H ATOM 1409 HD3 LYS B 101 -4.683 -11.880 5.307 1.00 0.00 H ATOM 1410 HE2 LYS B 101 -4.795 -14.132 3.482 1.00 0.00 H ATOM 1411 HE3 LYS B 101 -3.120 -13.598 3.755 1.00 0.00 H ATOM 1412 HZ1 LYS B 101 -5.409 -11.828 3.002 1.00 0.00 H ATOM 1413 HZ2 LYS B 101 -3.809 -11.318 3.264 1.00 0.00 H ATOM 1414 HZ3 LYS B 101 -4.172 -12.342 1.957 1.00 0.00 H ATOM 1415 H LYS B 101 -3.388 -11.974 10.003 1.00 0.00 H ATOM 1416 N HIS B 102 -1.097 -10.528 8.449 1.00 56.52 N ATOM 1417 CA HIS B 102 -0.102 -9.559 8.063 1.00 57.23 C ATOM 1418 C HIS B 102 0.822 -9.207 9.212 1.00 56.65 C ATOM 1419 O HIS B 102 1.356 -8.103 9.269 1.00 57.10 O ATOM 1420 CB HIS B 102 -0.765 -8.301 7.531 1.00 57.56 C ATOM 1421 CG HIS B 102 -1.891 -8.566 6.587 1.00 60.17 C ATOM 1422 ND1 HIS B 102 -1.695 -8.846 5.248 1.00 62.74 N ATOM 1423 CD2 HIS B 102 -3.230 -8.575 6.782 1.00 60.26 C ATOM 1424 CE1 HIS B 102 -2.866 -9.022 4.666 1.00 63.17 C ATOM 1425 NE2 HIS B 102 -3.813 -8.867 5.575 1.00 61.46 N ATOM 1426 HA HIS B 102 0.501 -10.012 7.276 1.00 0.00 H ATOM 1427 HB2 HIS B 102 -1.152 -7.732 8.377 1.00 0.00 H ATOM 1428 HB3 HIS B 102 -0.012 -7.709 7.011 1.00 0.00 H ATOM 1429 HD2 HIS B 102 -3.748 -8.386 7.722 1.00 0.00 H ATOM 1430 HE1 HIS B 102 -3.025 -9.256 3.613 1.00 0.00 H ATOM 1431 H HIS B 102 -1.792 -10.289 9.185 1.00 0.00 H ATOM 1432 N ALA B 103 1.025 -10.148 10.122 1.00 56.73 N ATOM 1433 CA ALA B 103 1.956 -9.947 11.253 1.00 57.07 C ATOM 1434 C ALA B 103 3.330 -9.412 10.819 1.00 58.56 C ATOM 1435 O ALA B 103 3.809 -8.409 11.336 1.00 58.58 O ATOM 1436 CB ALA B 103 2.106 -11.236 12.033 1.00 56.64 C ATOM 1437 HA ALA B 103 1.520 -9.179 11.892 1.00 0.00 H ATOM 1438 HB1 ALA B 103 1.133 -11.542 12.418 1.00 0.00 H ATOM 1439 HB2 ALA B 103 2.499 -12.013 11.377 1.00 0.00 H ATOM 1440 HB3 ALA B 103 2.793 -11.078 12.864 1.00 0.00 H ATOM 1441 H ALA B 103 0.516 -11.051 10.039 1.00 0.00 H ATOM 1442 N GLU B 104 3.940 -10.084 9.845 1.00 60.91 N ATOM 1443 CA GLU B 104 5.230 -9.672 9.268 1.00 62.88 C ATOM 1444 C GLU B 104 5.279 -8.163 9.003 1.00 62.46 C ATOM 1445 O GLU B 104 6.266 -7.503 9.309 1.00 62.95 O ATOM 1446 CB GLU B 104 5.477 -10.430 7.957 1.00 64.74 C ATOM 1447 CG GLU B 104 4.749 -9.822 6.699 1.00 68.53 C ATOM 1448 CD GLU B 104 3.523 -10.620 6.216 1.00 72.73 C ATOM 1449 OE1 GLU B 104 3.491 -11.866 6.417 1.00 74.01 O ATOM 1450 OE2 GLU B 104 2.610 -9.997 5.587 1.00 73.87 O ATOM 1451 HA GLU B 104 6.009 -9.912 9.992 1.00 0.00 H ATOM 1452 HB2 GLU B 104 6.549 -10.431 7.762 1.00 0.00 H ATOM 1453 HB3 GLU B 104 5.132 -11.456 8.087 1.00 0.00 H ATOM 1454 HG2 GLU B 104 4.420 -8.814 6.951 1.00 0.00 H ATOM 1455 HG3 GLU B 104 5.467 -9.775 5.881 1.00 0.00 H ATOM 1456 H GLU B 104 3.483 -10.941 9.474 1.00 0.00 H ATOM 1457 N LYS B 105 4.195 -7.652 8.420 1.00 62.04 N ATOM 1458 CA LYS B 105 4.061 -6.254 8.025 1.00 62.03 C ATOM 1459 C LYS B 105 3.894 -5.368 9.228 1.00 60.36 C ATOM 1460 O LYS B 105 4.121 -4.162 9.144 1.00 61.18 O ATOM 1461 CB LYS B 105 2.875 -6.059 7.091 1.00 61.85 C ATOM 1462 CG LYS B 105 3.047 -6.660 5.716 1.00 65.08 C ATOM 1463 CD LYS B 105 1.781 -6.494 4.873 1.00 68.00 C ATOM 1464 CE LYS B 105 1.895 -7.247 3.546 1.00 72.88 C ATOM 1465 NZ LYS B 105 0.601 -7.306 2.783 1.00 74.58 N ATOM 1466 HA LYS B 105 4.976 -5.978 7.501 1.00 0.00 H ATOM 1467 HB2 LYS B 105 2.000 -6.515 7.554 1.00 0.00 H ATOM 1468 HB3 LYS B 105 2.707 -4.988 6.975 1.00 0.00 H ATOM 1469 HG2 LYS B 105 3.877 -6.163 5.213 1.00 0.00 H ATOM 1470 HG3 LYS B 105 3.269 -7.722 5.818 1.00 0.00 H ATOM 1471 HD2 LYS B 105 0.929 -6.883 5.431 1.00 0.00 H ATOM 1472 HD3 LYS B 105 1.626 -5.435 4.668 1.00 0.00 H ATOM 1473 HE2 LYS B 105 2.222 -8.266 3.753 1.00 0.00 H ATOM 1474 HE3 LYS B 105 2.640 -6.747 2.927 1.00 0.00 H ATOM 1475 HZ1 LYS B 105 -0.117 -7.790 3.358 1.00 0.00 H ATOM 1476 HZ2 LYS B 105 0.282 -6.340 2.569 1.00 0.00 H ATOM 1477 HZ3 LYS B 105 0.747 -7.829 1.896 1.00 0.00 H ATOM 1478 H LYS B 105 3.395 -8.290 8.235 1.00 0.00 H ATOM 1479 N ASN B 106 3.488 -5.953 10.350 1.00 58.34 N ATOM 1480 CA ASN B 106 3.481 -5.216 11.605 1.00 56.83 C ATOM 1481 C ASN B 106 2.202 -4.360 11.770 1.00 55.17 C ATOM 1482 O ASN B 106 2.265 -3.191 12.181 1.00 54.36 O ATOM 1483 CB ASN B 106 4.719 -4.325 11.633 1.00 58.46 C ATOM 1484 CG ASN B 106 5.504 -4.467 12.888 1.00 59.30 C ATOM 1485 OD1 ASN B 106 5.798 -5.583 13.345 1.00 57.69 O ATOM 1486 ND2 ASN B 106 5.881 -3.331 13.462 1.00 60.47 N ATOM 1487 HA ASN B 106 3.492 -5.924 12.433 1.00 0.00 H ATOM 1488 HB2 ASN B 106 5.358 -4.590 10.791 1.00 0.00 H ATOM 1489 HB3 ASN B 106 4.403 -3.286 11.535 1.00 0.00 H ATOM 1490 HD22 ASN B 106 5.609 -2.420 13.040 1.00 0.00 H ATOM 1491 HD21 ASN B 106 6.448 -3.352 14.334 1.00 0.00 H ATOM 1492 H ASN B 106 3.173 -6.944 10.331 1.00 0.00 H ATOM 1493 N TRP B 107 1.047 -4.964 11.460 1.00 53.64 N ATOM 1494 CA TRP B 107 -0.233 -4.247 11.412 1.00 52.39 C ATOM 1495 C TRP B 107 -1.127 -4.538 12.581 1.00 50.57 C ATOM 1496 O TRP B 107 -1.630 -5.660 12.739 1.00 50.14 O ATOM 1497 CB TRP B 107 -0.985 -4.643 10.179 1.00 53.20 C ATOM 1498 CG TRP B 107 -0.507 -4.014 8.976 1.00 56.21 C ATOM 1499 CD1 TRP B 107 0.393 -2.988 8.875 1.00 56.53 C ATOM 1500 CD2 TRP B 107 -0.907 -4.333 7.660 1.00 59.01 C ATOM 1501 NE1 TRP B 107 0.581 -2.663 7.570 1.00 58.91 N ATOM 1502 CE2 TRP B 107 -0.215 -3.465 6.795 1.00 60.36 C ATOM 1503 CE3 TRP B 107 -1.781 -5.289 7.115 1.00 59.31 C ATOM 1504 CZ2 TRP B 107 -0.373 -3.512 5.415 1.00 63.76 C ATOM 1505 CZ3 TRP B 107 -1.944 -5.334 5.745 1.00 60.76 C ATOM 1506 CH2 TRP B 107 -1.242 -4.459 4.906 1.00 63.52 C ATOM 1507 HA TRP B 107 0.020 -3.187 11.425 1.00 0.00 H ATOM 1508 HB2 TRP B 107 -0.902 -5.723 10.058 1.00 0.00 H ATOM 1509 HB3 TRP B 107 -2.032 -4.374 10.314 1.00 0.00 H ATOM 1510 HE1 TRP B 107 1.224 -1.926 7.217 1.00 0.00 H ATOM 1511 HD1 TRP B 107 0.886 -2.503 9.718 1.00 0.00 H ATOM 1512 HZ2 TRP B 107 0.167 -2.829 4.760 1.00 0.00 H ATOM 1513 HH2 TRP B 107 -1.384 -4.526 3.827 1.00 0.00 H ATOM 1514 HZ3 TRP B 107 -2.629 -6.061 5.310 1.00 0.00 H ATOM 1515 HE3 TRP B 107 -2.320 -5.982 7.762 1.00 0.00 H ATOM 1516 H TRP B 107 1.058 -5.981 11.245 1.00 0.00 H ATOM 1517 N PHE B 108 -1.361 -3.518 13.385 1.00 50.01 N ATOM 1518 CA PHE B 108 -2.124 -3.677 14.613 1.00 49.65 C ATOM 1519 C PHE B 108 -3.567 -3.202 14.478 1.00 48.49 C ATOM 1520 O PHE B 108 -3.864 -2.369 13.639 1.00 49.84 O ATOM 1521 CB PHE B 108 -1.461 -2.910 15.742 1.00 49.56 C ATOM 1522 CG PHE B 108 -0.085 -3.380 16.065 1.00 51.29 C ATOM 1523 CD1 PHE B 108 0.118 -4.358 17.033 1.00 50.96 C ATOM 1524 CD2 PHE B 108 1.016 -2.802 15.461 1.00 51.19 C ATOM 1525 CE1 PHE B 108 1.406 -4.771 17.364 1.00 50.77 C ATOM 1526 CE2 PHE B 108 2.284 -3.217 15.784 1.00 52.93 C ATOM 1527 CZ PHE B 108 2.478 -4.214 16.737 1.00 51.86 C ATOM 1528 HA PHE B 108 -2.142 -4.745 14.831 1.00 0.00 H ATOM 1529 HB2 PHE B 108 -1.407 -1.859 15.458 1.00 0.00 H ATOM 1530 HB3 PHE B 108 -2.077 -3.012 16.635 1.00 0.00 H ATOM 1531 HD2 PHE B 108 0.876 -2.012 14.724 1.00 0.00 H ATOM 1532 HE2 PHE B 108 3.144 -2.764 15.292 1.00 0.00 H ATOM 1533 HZ PHE B 108 3.487 -4.548 16.980 1.00 0.00 H ATOM 1534 HE1 PHE B 108 1.555 -5.539 18.123 1.00 0.00 H ATOM 1535 HD1 PHE B 108 -0.739 -4.805 17.537 1.00 0.00 H ATOM 1536 H PHE B 108 -0.991 -2.579 13.135 1.00 0.00 H ATOM 1537 N VAL B 109 -4.458 -3.752 15.299 1.00 46.71 N ATOM 1538 CA VAL B 109 -5.749 -3.142 15.519 1.00 45.83 C ATOM 1539 C VAL B 109 -5.504 -1.836 16.252 1.00 45.59 C ATOM 1540 O VAL B 109 -4.653 -1.783 17.124 1.00 47.15 O ATOM 1541 CB VAL B 109 -6.653 -4.073 16.318 1.00 44.99 C ATOM 1542 CG1 VAL B 109 -7.950 -3.362 16.704 1.00 46.85 C ATOM 1543 CG2 VAL B 109 -6.980 -5.284 15.492 1.00 43.34 C ATOM 1544 HA VAL B 109 -6.259 -2.951 14.575 1.00 0.00 H ATOM 1545 HB VAL B 109 -6.130 -4.371 17.227 1.00 0.00 H ATOM 1546 HG11 VAL B 109 -7.717 -2.488 17.312 1.00 0.00 H ATOM 1547 HG12 VAL B 109 -8.474 -3.049 15.801 1.00 0.00 H ATOM 1548 HG13 VAL B 109 -8.581 -4.044 17.274 1.00 0.00 H ATOM 1549 HG21 VAL B 109 -7.492 -4.973 14.581 1.00 0.00 H ATOM 1550 HG22 VAL B 109 -6.058 -5.805 15.233 1.00 0.00 H ATOM 1551 HG23 VAL B 109 -7.627 -5.949 16.065 1.00 0.00 H ATOM 1552 H VAL B 109 -4.221 -4.637 15.791 1.00 0.00 H ATOM 1553 N GLY B 110 -6.189 -0.768 15.879 1.00 45.12 N ATOM 1554 CA GLY B 110 -5.814 0.559 16.379 1.00 44.14 C ATOM 1555 C GLY B 110 -6.895 1.599 16.239 1.00 44.30 C ATOM 1556 O GLY B 110 -7.630 1.614 15.276 1.00 43.59 O ATOM 1557 HA3 GLY B 110 -4.939 0.899 15.825 1.00 0.00 H ATOM 1558 HA2 GLY B 110 -5.561 0.468 17.435 1.00 0.00 H ATOM 1559 H GLY B 110 -6.995 -0.869 15.230 1.00 0.00 H ATOM 1560 N LEU B 111 -6.994 2.477 17.221 1.00 45.48 N ATOM 1561 CA LEU B 111 -7.943 3.603 17.162 1.00 45.87 C ATOM 1562 C LEU B 111 -7.207 4.907 17.216 1.00 47.98 C ATOM 1563 O LEU B 111 -6.223 5.026 17.926 1.00 48.55 O ATOM 1564 CB LEU B 111 -8.901 3.533 18.325 1.00 44.37 C ATOM 1565 CG LEU B 111 -9.824 2.330 18.279 1.00 41.58 C ATOM 1566 CD1 LEU B 111 -10.826 2.459 19.356 1.00 39.10 C ATOM 1567 CD2 LEU B 111 -10.531 2.247 16.917 1.00 41.64 C ATOM 1568 HA LEU B 111 -8.496 3.537 16.225 1.00 0.00 H ATOM 1569 HB2 LEU B 111 -8.322 3.488 19.247 1.00 0.00 H ATOM 1570 HB3 LEU B 111 -9.511 4.436 18.324 1.00 0.00 H ATOM 1571 HG LEU B 111 -9.240 1.420 18.418 1.00 0.00 H ATOM 1572 HD21 LEU B 111 -11.118 3.151 16.758 1.00 0.00 H ATOM 1573 HD22 LEU B 111 -9.786 2.153 16.127 1.00 0.00 H ATOM 1574 HD23 LEU B 111 -11.189 1.378 16.903 1.00 0.00 H ATOM 1575 HD11 LEU B 111 -10.318 2.500 20.320 1.00 0.00 H ATOM 1576 HD12 LEU B 111 -11.401 3.373 19.208 1.00 0.00 H ATOM 1577 HD13 LEU B 111 -11.495 1.599 19.333 1.00 0.00 H ATOM 1578 H LEU B 111 -6.386 2.371 18.058 1.00 0.00 H ATOM 1579 N LYS B 112 -7.663 5.886 16.448 1.00 50.41 N ATOM 1580 CA LYS B 112 -7.089 7.229 16.528 1.00 53.02 C ATOM 1581 C LYS B 112 -7.688 7.885 17.766 1.00 53.73 C ATOM 1582 O LYS B 112 -8.612 7.357 18.359 1.00 51.80 O ATOM 1583 CB LYS B 112 -7.395 8.065 15.254 1.00 54.45 C ATOM 1584 CG LYS B 112 -6.395 7.908 14.094 1.00 57.08 C ATOM 1585 CD LYS B 112 -6.986 8.316 12.701 1.00 60.97 C ATOM 1586 CE LYS B 112 -7.064 9.863 12.501 1.00 67.83 C ATOM 1587 NZ LYS B 112 -5.915 10.439 11.725 1.00 70.18 N ATOM 1588 HA LYS B 112 -6.003 7.173 16.596 1.00 0.00 H ATOM 1589 HB2 LYS B 112 -8.379 7.772 14.889 1.00 0.00 H ATOM 1590 HB3 LYS B 112 -7.414 9.117 15.540 1.00 0.00 H ATOM 1591 HG2 LYS B 112 -5.527 8.535 14.298 1.00 0.00 H ATOM 1592 HG3 LYS B 112 -6.084 6.865 14.045 1.00 0.00 H ATOM 1593 HD2 LYS B 112 -6.354 7.896 11.919 1.00 0.00 H ATOM 1594 HD3 LYS B 112 -7.991 7.903 12.615 1.00 0.00 H ATOM 1595 HE2 LYS B 112 -7.085 10.335 13.483 1.00 0.00 H ATOM 1596 HE3 LYS B 112 -7.987 10.094 11.969 1.00 0.00 H ATOM 1597 HZ1 LYS B 112 -5.025 10.239 12.225 1.00 0.00 H ATOM 1598 HZ2 LYS B 112 -5.887 10.008 10.779 1.00 0.00 H ATOM 1599 HZ3 LYS B 112 -6.040 11.468 11.635 1.00 0.00 H ATOM 1600 H LYS B 112 -8.438 5.697 15.781 1.00 0.00 H ATOM 1601 N LYS B 113 -7.161 9.055 18.126 1.00 56.70 N ATOM 1602 CA LYS B 113 -7.626 9.813 19.280 1.00 58.08 C ATOM 1603 C LYS B 113 -9.109 10.224 19.171 1.00 59.08 C ATOM 1604 O LYS B 113 -9.834 10.272 20.176 1.00 58.62 O ATOM 1605 CB LYS B 113 -6.742 11.039 19.479 1.00 59.88 C ATOM 1606 CG LYS B 113 -5.842 10.942 20.695 1.00 61.97 C ATOM 1607 CD LYS B 113 -5.810 12.267 21.481 1.00 66.80 C ATOM 1608 CE LYS B 113 -5.262 12.068 22.919 1.00 69.03 C ATOM 1609 NZ LYS B 113 -3.769 11.910 22.951 1.00 69.95 N ATOM 1610 HA LYS B 113 -7.552 9.160 20.149 1.00 0.00 H ATOM 1611 HB2 LYS B 113 -6.116 11.161 18.595 1.00 0.00 H ATOM 1612 HB3 LYS B 113 -7.383 11.913 19.592 1.00 0.00 H ATOM 1613 HG2 LYS B 113 -6.212 10.151 21.348 1.00 0.00 H ATOM 1614 HG3 LYS B 113 -4.831 10.699 20.369 1.00 0.00 H ATOM 1615 HD2 LYS B 113 -5.171 12.975 20.954 1.00 0.00 H ATOM 1616 HD3 LYS B 113 -6.822 12.667 21.541 1.00 0.00 H ATOM 1617 HE2 LYS B 113 -5.717 11.174 23.346 1.00 0.00 H ATOM 1618 HE3 LYS B 113 -5.535 12.936 23.520 1.00 0.00 H ATOM 1619 HZ1 LYS B 113 -3.497 11.079 22.387 1.00 0.00 H ATOM 1620 HZ2 LYS B 113 -3.323 12.761 22.553 1.00 0.00 H ATOM 1621 HZ3 LYS B 113 -3.456 11.780 23.934 1.00 0.00 H ATOM 1622 H LYS B 113 -6.382 9.445 17.557 1.00 0.00 H ATOM 1623 N ASN B 114 -9.555 10.529 17.953 1.00 60.45 N ATOM 1624 CA ASN B 114 -10.964 10.792 17.722 1.00 60.99 C ATOM 1625 C ASN B 114 -11.737 9.485 17.541 1.00 59.55 C ATOM 1626 O ASN B 114 -12.860 9.486 17.076 1.00 60.01 O ATOM 1627 CB ASN B 114 -11.164 11.716 16.517 1.00 62.46 C ATOM 1628 CG ASN B 114 -10.738 11.070 15.213 1.00 62.80 C ATOM 1629 OD1 ASN B 114 -11.095 9.921 14.914 1.00 61.00 O ATOM 1630 ND2 ASN B 114 -9.962 11.797 14.433 1.00 63.93 N ATOM 1631 HA ASN B 114 -11.358 11.302 18.601 1.00 0.00 H ATOM 1632 HB2 ASN B 114 -12.220 11.979 16.449 1.00 0.00 H ATOM 1633 HB3 ASN B 114 -10.575 12.621 16.668 1.00 0.00 H ATOM 1634 HD22 ASN B 114 -9.686 12.757 14.723 1.00 0.00 H ATOM 1635 HD21 ASN B 114 -9.626 11.410 13.528 1.00 0.00 H ATOM 1636 H ASN B 114 -8.886 10.579 17.158 1.00 0.00 H ATOM 1637 N GLY B 115 -11.122 8.362 17.888 1.00 58.74 N ATOM 1638 CA GLY B 115 -11.860 7.098 17.940 1.00 57.42 C ATOM 1639 C GLY B 115 -12.280 6.586 16.584 1.00 57.73 C ATOM 1640 O GLY B 115 -13.106 5.694 16.492 1.00 57.53 O ATOM 1641 HA3 GLY B 115 -12.755 7.246 18.545 1.00 0.00 H ATOM 1642 HA2 GLY B 115 -11.225 6.347 18.410 1.00 0.00 H ATOM 1643 H GLY B 115 -10.109 8.379 18.125 1.00 0.00 H ATOM 1644 N SER B 116 -11.721 7.140 15.517 1.00 58.85 N ATOM 1645 CA SER B 116 -11.856 6.479 14.237 1.00 59.54 C ATOM 1646 C SER B 116 -10.743 5.466 14.035 1.00 58.86 C ATOM 1647 O SER B 116 -9.630 5.623 14.545 1.00 57.76 O ATOM 1648 CB SER B 116 -11.951 7.459 13.066 1.00 61.20 C ATOM 1649 OG SER B 116 -10.851 8.335 13.040 1.00 63.49 O ATOM 1650 HA SER B 116 -12.806 5.944 14.254 1.00 0.00 H ATOM 1651 HB2 SER B 116 -12.867 8.042 13.164 1.00 0.00 H ATOM 1652 HB3 SER B 116 -11.979 6.896 12.133 1.00 0.00 H ATOM 1653 HG SER B 116 -10.823 8.853 13.883 1.00 0.00 H ATOM 1654 H SER B 116 -11.195 8.033 15.599 1.00 0.00 H ATOM 1655 N CYS B 117 -11.106 4.398 13.338 1.00 59.29 N ATOM 1656 CA CYS B 117 -10.211 3.371 12.835 1.00 60.04 C ATOM 1657 C CYS B 117 -8.843 3.864 12.420 1.00 60.56 C ATOM 1658 O CYS B 117 -8.685 4.984 11.903 1.00 62.12 O ATOM 1659 CB CYS B 117 -10.859 2.726 11.624 1.00 60.95 C ATOM 1660 SG CYS B 117 -10.534 1.004 11.546 1.00 68.88 S ATOM 1661 HA CYS B 117 -10.053 2.679 13.662 1.00 0.00 H ATOM 1662 HB2 CYS B 117 -10.470 3.199 10.722 1.00 0.00 H ATOM 1663 HB3 CYS B 117 -11.937 2.879 11.677 1.00 0.00 H ATOM 1664 HG CYS B 117 -11.145 0.472 10.429 1.00 0.00 H ATOM 1665 H CYS B 117 -12.120 4.286 13.134 1.00 0.00 H ATOM 1666 N LYS B 118 -7.843 3.028 12.647 1.00 59.62 N ATOM 1667 CA LYS B 118 -6.526 3.278 12.088 1.00 60.51 C ATOM 1668 C LYS B 118 -6.190 2.150 11.126 1.00 61.40 C ATOM 1669 O LYS B 118 -6.498 0.963 11.401 1.00 61.49 O ATOM 1670 CB LYS B 118 -5.470 3.391 13.171 1.00 59.21 C ATOM 1671 CG LYS B 118 -4.383 4.402 12.852 1.00 59.25 C ATOM 1672 CD LYS B 118 -3.644 4.810 14.091 1.00 53.86 C ATOM 1673 CE LYS B 118 -2.500 5.701 13.778 1.00 55.66 C ATOM 1674 NZ LYS B 118 -1.817 6.130 15.021 1.00 54.99 N ATOM 1675 HA LYS B 118 -6.538 4.231 11.559 1.00 0.00 H ATOM 1676 HB2 LYS B 118 -5.957 3.689 14.099 1.00 0.00 H ATOM 1677 HB3 LYS B 118 -5.005 2.414 13.304 1.00 0.00 H ATOM 1678 HG2 LYS B 118 -3.679 3.958 12.148 1.00 0.00 H ATOM 1679 HG3 LYS B 118 -4.838 5.284 12.402 1.00 0.00 H ATOM 1680 HD2 LYS B 118 -4.330 5.335 14.755 1.00 0.00 H ATOM 1681 HD3 LYS B 118 -3.270 3.916 14.590 1.00 0.00 H ATOM 1682 HE2 LYS B 118 -2.865 6.581 13.248 1.00 0.00 H ATOM 1683 HE3 LYS B 118 -1.791 5.166 13.146 1.00 0.00 H ATOM 1684 HZ1 LYS B 118 -2.490 6.644 15.625 1.00 0.00 H ATOM 1685 HZ2 LYS B 118 -1.464 5.293 15.528 1.00 0.00 H ATOM 1686 HZ3 LYS B 118 -1.020 6.753 14.780 1.00 0.00 H ATOM 1687 H LYS B 118 -8.002 2.183 13.232 1.00 0.00 H ATOM 1688 N ARG B 119 -5.604 2.514 9.983 1.00 62.33 N ATOM 1689 CA ARG B 119 -5.180 1.530 8.996 1.00 61.95 C ATOM 1690 C ARG B 119 -3.919 0.839 9.488 1.00 60.32 C ATOM 1691 O ARG B 119 -3.041 1.474 10.118 1.00 59.74 O ATOM 1692 CB ARG B 119 -4.910 2.195 7.643 1.00 64.59 C ATOM 1693 CG ARG B 119 -6.152 2.713 6.875 1.00 68.67 C ATOM 1694 CD ARG B 119 -5.740 3.718 5.776 1.00 73.99 C ATOM 1695 NE ARG B 119 -4.559 3.224 5.059 1.00 79.61 N ATOM 1696 CZ ARG B 119 -3.570 3.988 4.596 1.00 83.43 C ATOM 1697 NH1 ARG B 119 -3.614 5.306 4.755 1.00 85.59 N ATOM 1698 NH2 ARG B 119 -2.527 3.429 3.973 1.00 84.45 N ATOM 1699 HA ARG B 119 -5.978 0.799 8.864 1.00 0.00 H ATOM 1700 HB2 ARG B 119 -4.248 3.043 7.815 1.00 0.00 H ATOM 1701 HB3 ARG B 119 -4.407 1.466 7.008 1.00 0.00 H ATOM 1702 HG2 ARG B 119 -6.664 1.869 6.413 1.00 0.00 H ATOM 1703 HG3 ARG B 119 -6.826 3.206 7.576 1.00 0.00 H ATOM 1704 HD2 ARG B 119 -5.508 4.679 6.235 1.00 0.00 H ATOM 1705 HD3 ARG B 119 -6.564 3.842 5.073 1.00 0.00 H ATOM 1706 HE ARG B 119 -4.488 2.199 4.900 1.00 0.00 H ATOM 1707 HH12 ARG B 119 -2.841 5.900 4.393 1.00 0.00 H ATOM 1708 HH11 ARG B 119 -4.422 5.744 5.242 1.00 0.00 H ATOM 1709 HH22 ARG B 119 -1.756 4.026 3.612 1.00 0.00 H ATOM 1710 HH21 ARG B 119 -2.487 2.397 3.849 1.00 0.00 H ATOM 1711 H ARG B 119 -5.446 3.524 9.793 1.00 0.00 H ATOM 1712 N GLY B 120 -3.824 -0.457 9.185 1.00 58.93 N ATOM 1713 CA GLY B 120 -2.707 -1.302 9.630 1.00 57.77 C ATOM 1714 C GLY B 120 -1.309 -0.695 9.486 1.00 58.64 C ATOM 1715 O GLY B 120 -0.512 -0.771 10.422 1.00 58.80 O ATOM 1716 HA3 GLY B 120 -2.733 -2.223 9.048 1.00 0.00 H ATOM 1717 HA2 GLY B 120 -2.863 -1.535 10.683 1.00 0.00 H ATOM 1718 H GLY B 120 -4.574 -0.888 8.608 1.00 0.00 H ATOM 1719 N PRO B 121 -0.999 -0.088 8.314 1.00 59.79 N ATOM 1720 CA PRO B 121 0.304 0.547 8.128 1.00 60.56 C ATOM 1721 C PRO B 121 0.476 1.970 8.695 1.00 60.83 C ATOM 1722 O PRO B 121 1.503 2.574 8.455 1.00 61.61 O ATOM 1723 CB PRO B 121 0.466 0.566 6.607 1.00 62.51 C ATOM 1724 CG PRO B 121 -0.906 0.586 6.085 1.00 62.25 C ATOM 1725 CD PRO B 121 -1.753 -0.164 7.044 1.00 60.70 C ATOM 1726 HA PRO B 121 1.056 -0.012 8.685 1.00 0.00 H ATOM 1727 HD3 PRO B 121 -2.733 0.303 7.145 1.00 0.00 H ATOM 1728 HD2 PRO B 121 -1.876 -1.199 6.727 1.00 0.00 H ATOM 1729 HG3 PRO B 121 -0.940 0.110 5.105 1.00 0.00 H ATOM 1730 HG2 PRO B 121 -1.258 1.614 6.000 1.00 0.00 H ATOM 1731 HB2 PRO B 121 1.011 1.455 6.289 1.00 0.00 H ATOM 1732 HB3 PRO B 121 0.994 -0.324 6.265 1.00 0.00 H ATOM 1733 N ARG B 122 -0.482 2.502 9.447 1.00 59.88 N ATOM 1734 CA ARG B 122 -0.156 3.699 10.235 1.00 60.63 C ATOM 1735 C ARG B 122 0.066 3.357 11.713 1.00 58.74 C ATOM 1736 O ARG B 122 0.489 4.212 12.519 1.00 57.31 O ATOM 1737 CB ARG B 122 -1.160 4.844 10.027 1.00 61.53 C ATOM 1738 CG ARG B 122 -0.631 5.944 9.087 1.00 66.76 C ATOM 1739 CD ARG B 122 -1.068 7.380 9.546 1.00 72.61 C ATOM 1740 NE ARG B 122 -2.457 7.663 9.169 1.00 72.61 N ATOM 1741 CZ ARG B 122 -2.816 8.490 8.195 1.00 73.68 C ATOM 1742 NH1 ARG B 122 -1.897 9.169 7.536 1.00 75.62 N ATOM 1743 NH2 ARG B 122 -4.099 8.656 7.899 1.00 74.45 N ATOM 1744 HA ARG B 122 0.792 4.079 9.855 1.00 0.00 H ATOM 1745 HB2 ARG B 122 -2.074 4.432 9.600 1.00 0.00 H ATOM 1746 HB3 ARG B 122 -1.383 5.292 10.996 1.00 0.00 H ATOM 1747 HG2 ARG B 122 0.458 5.897 9.070 1.00 0.00 H ATOM 1748 HG3 ARG B 122 -1.017 5.764 8.084 1.00 0.00 H ATOM 1749 HD2 ARG B 122 -0.416 8.116 9.077 1.00 0.00 H ATOM 1750 HD3 ARG B 122 -0.973 7.451 10.630 1.00 0.00 H ATOM 1751 HE ARG B 122 -3.211 7.183 9.701 1.00 0.00 H ATOM 1752 HH12 ARG B 122 -2.177 9.817 6.773 1.00 0.00 H ATOM 1753 HH11 ARG B 122 -0.892 9.056 7.780 1.00 0.00 H ATOM 1754 HH22 ARG B 122 -4.377 9.305 7.135 1.00 0.00 H ATOM 1755 HH21 ARG B 122 -4.827 8.137 8.431 1.00 0.00 H ATOM 1756 H ARG B 122 -1.434 2.084 9.477 1.00 0.00 H ATOM 1757 N THR B 123 -0.196 2.084 12.045 1.00 57.07 N ATOM 1758 CA THR B 123 -0.048 1.603 13.413 1.00 56.18 C ATOM 1759 C THR B 123 1.343 1.157 13.512 1.00 57.11 C ATOM 1760 O THR B 123 1.924 0.773 12.499 1.00 58.48 O ATOM 1761 CB THR B 123 -0.937 0.348 13.752 1.00 55.08 C ATOM 1762 OG1 THR B 123 -0.395 -0.838 13.124 1.00 53.22 O ATOM 1763 CG2 THR B 123 -2.412 0.569 13.349 1.00 52.55 C ATOM 1764 HA THR B 123 -0.342 2.403 14.093 1.00 0.00 H ATOM 1765 HB THR B 123 -0.918 0.205 14.832 1.00 0.00 H ATOM 1766 HG1 THR B 123 -0.376 -0.711 12.142 1.00 0.00 H ATOM 1767 HG23 THR B 123 -2.790 1.467 13.837 1.00 0.00 H ATOM 1768 HG21 THR B 123 -2.478 0.686 12.267 1.00 0.00 H ATOM 1769 HG22 THR B 123 -3.005 -0.291 13.659 1.00 0.00 H ATOM 1770 H THR B 123 -0.513 1.423 11.307 1.00 0.00 H ATOM 1771 N HIS B 124 1.889 1.190 14.729 1.00 57.31 N ATOM 1772 CA HIS B 124 3.130 0.462 15.033 1.00 57.68 C ATOM 1773 C HIS B 124 3.391 0.371 16.527 1.00 57.69 C ATOM 1774 O HIS B 124 2.825 1.154 17.304 1.00 57.79 O ATOM 1775 CB HIS B 124 4.317 1.082 14.298 1.00 59.07 C ATOM 1776 CG HIS B 124 4.540 2.523 14.605 1.00 58.39 C ATOM 1777 ND1 HIS B 124 5.152 2.948 15.764 1.00 59.53 N ATOM 1778 CD2 HIS B 124 4.283 3.636 13.883 1.00 58.77 C ATOM 1779 CE1 HIS B 124 5.248 4.266 15.752 1.00 60.24 C ATOM 1780 NE2 HIS B 124 4.725 4.708 14.623 1.00 61.31 N ATOM 1781 HA HIS B 124 3.003 -0.559 14.674 1.00 0.00 H ATOM 1782 HB2 HIS B 124 5.216 0.530 14.573 1.00 0.00 H ATOM 1783 HB3 HIS B 124 4.145 0.983 13.226 1.00 0.00 H ATOM 1784 HD2 HIS B 124 3.814 3.677 12.900 1.00 0.00 H ATOM 1785 HE1 HIS B 124 5.684 4.882 16.539 1.00 0.00 H ATOM 1786 H HIS B 124 1.427 1.743 15.479 1.00 0.00 H ATOM 1787 N TYR B 125 4.227 -0.588 16.930 1.00 57.93 N ATOM 1788 CA TYR B 125 4.634 -0.710 18.333 1.00 58.97 C ATOM 1789 C TYR B 125 4.939 0.641 18.968 1.00 59.94 C ATOM 1790 O TYR B 125 5.532 1.535 18.346 1.00 60.81 O ATOM 1791 CB TYR B 125 5.862 -1.621 18.482 1.00 60.07 C ATOM 1792 CG TYR B 125 5.527 -3.068 18.651 1.00 61.54 C ATOM 1793 CD1 TYR B 125 6.053 -4.034 17.788 1.00 63.94 C ATOM 1794 CD2 TYR B 125 4.675 -3.487 19.665 1.00 61.63 C ATOM 1795 CE1 TYR B 125 5.736 -5.381 17.947 1.00 62.60 C ATOM 1796 CE2 TYR B 125 4.346 -4.819 19.818 1.00 60.69 C ATOM 1797 CZ TYR B 125 4.881 -5.758 18.967 1.00 60.60 C ATOM 1798 OH TYR B 125 4.549 -7.070 19.134 1.00 60.73 O ATOM 1799 HA TYR B 125 3.785 -1.153 18.854 1.00 0.00 H ATOM 1800 HB3 TYR B 125 6.427 -1.295 19.355 1.00 0.00 H ATOM 1801 HB2 TYR B 125 6.479 -1.513 17.590 1.00 0.00 H ATOM 1802 HD2 TYR B 125 4.259 -2.751 20.352 1.00 0.00 H ATOM 1803 HE2 TYR B 125 3.664 -5.126 20.611 1.00 0.00 H ATOM 1804 HE1 TYR B 125 6.157 -6.129 17.275 1.00 0.00 H ATOM 1805 HD1 TYR B 125 6.719 -3.729 16.981 1.00 0.00 H ATOM 1806 HH TYR B 125 5.011 -7.616 18.449 1.00 0.00 H ATOM 1807 H TYR B 125 4.598 -1.264 16.233 1.00 0.00 H ATOM 1808 N GLY B 126 4.543 0.777 20.221 1.00 60.14 N ATOM 1809 CA GLY B 126 4.851 1.970 20.976 1.00 60.33 C ATOM 1810 C GLY B 126 3.852 3.080 20.786 1.00 60.10 C ATOM 1811 O GLY B 126 3.966 4.110 21.457 1.00 62.77 O ATOM 1812 HA3 GLY B 126 5.831 2.331 20.665 1.00 0.00 H ATOM 1813 HA2 GLY B 126 4.880 1.710 22.034 1.00 0.00 H ATOM 1814 H GLY B 126 4.000 0.013 20.672 1.00 0.00 H ATOM 1815 N GLN B 127 2.870 2.910 19.887 1.00 57.40 N ATOM 1816 CA GLN B 127 1.782 3.902 19.769 1.00 55.61 C ATOM 1817 C GLN B 127 0.768 3.650 20.880 1.00 55.23 C ATOM 1818 O GLN B 127 0.579 2.512 21.293 1.00 55.12 O ATOM 1819 CB GLN B 127 1.074 3.779 18.437 1.00 54.45 C ATOM 1820 CG GLN B 127 1.769 4.359 17.249 1.00 52.66 C ATOM 1821 CD GLN B 127 0.979 4.152 15.981 1.00 49.89 C ATOM 1822 OE1 GLN B 127 -0.021 3.476 15.991 1.00 52.41 O ATOM 1823 NE2 GLN B 127 1.445 4.692 14.884 1.00 50.06 N ATOM 1824 HA GLN B 127 2.213 4.900 19.847 1.00 0.00 H ATOM 1825 HB2 GLN B 127 0.918 2.718 18.243 1.00 0.00 H ATOM 1826 HB3 GLN B 127 0.108 4.276 18.529 1.00 0.00 H ATOM 1827 HG2 GLN B 127 1.907 5.428 17.408 1.00 0.00 H ATOM 1828 HG3 GLN B 127 2.742 3.880 17.141 1.00 0.00 H ATOM 1829 HE22 GLN B 127 2.310 5.269 14.915 1.00 0.00 H ATOM 1830 HE21 GLN B 127 0.950 4.545 13.981 1.00 0.00 H ATOM 1831 H GLN B 127 2.875 2.074 19.269 1.00 0.00 H ATOM 1832 N LYS B 128 0.100 4.685 21.370 1.00 55.28 N ATOM 1833 CA LYS B 128 -0.976 4.451 22.336 1.00 54.48 C ATOM 1834 C LYS B 128 -2.185 3.851 21.630 1.00 52.86 C ATOM 1835 O LYS B 128 -2.905 3.017 22.192 1.00 52.61 O ATOM 1836 CB LYS B 128 -1.326 5.717 23.115 1.00 55.23 C ATOM 1837 CG LYS B 128 -0.770 5.701 24.567 1.00 59.13 C ATOM 1838 CD LYS B 128 -0.218 7.059 25.059 1.00 65.45 C ATOM 1839 CE LYS B 128 -1.349 8.029 25.417 1.00 69.12 C ATOM 1840 NZ LYS B 128 -2.508 7.306 26.079 1.00 70.09 N ATOM 1841 HA LYS B 128 -0.627 3.732 23.077 1.00 0.00 H ATOM 1842 HB2 LYS B 128 -0.908 6.576 22.591 1.00 0.00 H ATOM 1843 HB3 LYS B 128 -2.411 5.812 23.158 1.00 0.00 H ATOM 1844 HG2 LYS B 128 -1.575 5.398 25.236 1.00 0.00 H ATOM 1845 HG3 LYS B 128 0.036 4.968 24.615 1.00 0.00 H ATOM 1846 HD2 LYS B 128 0.399 6.892 25.942 1.00 0.00 H ATOM 1847 HD3 LYS B 128 0.391 7.501 24.270 1.00 0.00 H ATOM 1848 HE2 LYS B 128 -1.705 8.511 24.507 1.00 0.00 H ATOM 1849 HE3 LYS B 128 -0.965 8.786 26.101 1.00 0.00 H ATOM 1850 HZ1 LYS B 128 -2.883 6.586 25.429 1.00 0.00 H ATOM 1851 HZ2 LYS B 128 -2.176 6.848 26.952 1.00 0.00 H ATOM 1852 HZ3 LYS B 128 -3.256 7.991 26.309 1.00 0.00 H ATOM 1853 H LYS B 128 0.337 5.653 21.072 1.00 0.00 H ATOM 1854 N ALA B 129 -2.340 4.240 20.367 1.00 52.22 N ATOM 1855 CA ALA B 129 -3.399 3.787 19.475 1.00 49.62 C ATOM 1856 C ALA B 129 -3.706 2.320 19.525 1.00 47.36 C ATOM 1857 O ALA B 129 -4.825 1.928 19.245 1.00 46.05 O ATOM 1858 CB ALA B 129 -3.044 4.140 18.092 1.00 50.59 C ATOM 1859 HA ALA B 129 -4.300 4.291 19.823 1.00 0.00 H ATOM 1860 HB1 ALA B 129 -2.932 5.221 18.012 1.00 0.00 H ATOM 1861 HB2 ALA B 129 -2.105 3.656 17.824 1.00 0.00 H ATOM 1862 HB3 ALA B 129 -3.833 3.804 17.419 1.00 0.00 H ATOM 1863 H ALA B 129 -1.651 4.921 19.987 1.00 0.00 H ATOM 1864 N ILE B 130 -2.707 1.505 19.842 1.00 46.89 N ATOM 1865 CA ILE B 130 -2.830 0.037 19.678 1.00 45.39 C ATOM 1866 C ILE B 130 -2.987 -0.748 20.967 1.00 44.49 C ATOM 1867 O ILE B 130 -2.980 -1.984 20.936 1.00 44.46 O ATOM 1868 CB ILE B 130 -1.623 -0.562 18.972 1.00 45.59 C ATOM 1869 CG1 ILE B 130 -0.350 -0.242 19.751 1.00 46.76 C ATOM 1870 CG2 ILE B 130 -1.555 -0.079 17.555 1.00 46.61 C ATOM 1871 CD1 ILE B 130 0.615 -1.400 19.792 1.00 50.18 C ATOM 1872 HA ILE B 130 -3.744 -0.057 19.091 1.00 0.00 H ATOM 1873 HB ILE B 130 -1.724 -1.647 18.938 1.00 0.00 H ATOM 1874 HG12 ILE B 130 0.144 0.607 19.279 1.00 0.00 H ATOM 1875 HG13 ILE B 130 -0.623 0.021 20.773 1.00 0.00 H ATOM 1876 HD11 ILE B 130 0.136 -2.254 20.271 1.00 0.00 H ATOM 1877 HD12 ILE B 130 0.904 -1.667 18.775 1.00 0.00 H ATOM 1878 HD13 ILE B 130 1.501 -1.113 20.359 1.00 0.00 H ATOM 1879 HG21 ILE B 130 -2.461 -0.377 17.027 1.00 0.00 H ATOM 1880 HG22 ILE B 130 -1.469 1.008 17.547 1.00 0.00 H ATOM 1881 HG23 ILE B 130 -0.686 -0.517 17.064 1.00 0.00 H ATOM 1882 H ILE B 130 -1.821 1.904 20.213 1.00 0.00 H ATOM 1883 N LEU B 131 -3.088 -0.047 22.095 1.00 43.72 N ATOM 1884 CA LEU B 131 -3.159 -0.709 23.376 1.00 42.90 C ATOM 1885 C LEU B 131 -4.613 -0.766 23.846 1.00 41.44 C ATOM 1886 O LEU B 131 -5.291 0.252 23.853 1.00 41.52 O ATOM 1887 CB LEU B 131 -2.262 -0.005 24.409 1.00 44.31 C ATOM 1888 CG LEU B 131 -0.742 0.199 24.175 1.00 45.88 C ATOM 1889 CD1 LEU B 131 -0.185 1.225 25.170 1.00 44.67 C ATOM 1890 CD2 LEU B 131 0.104 -1.104 24.204 1.00 41.15 C ATOM 1891 HA LEU B 131 -2.789 -1.729 23.270 1.00 0.00 H ATOM 1892 HB2 LEU B 131 -2.685 0.989 24.553 1.00 0.00 H ATOM 1893 HB3 LEU B 131 -2.355 -0.576 25.333 1.00 0.00 H ATOM 1894 HG LEU B 131 -0.652 0.574 23.156 1.00 0.00 H ATOM 1895 HD21 LEU B 131 -0.003 -1.583 25.177 1.00 0.00 H ATOM 1896 HD22 LEU B 131 -0.246 -1.780 23.424 1.00 0.00 H ATOM 1897 HD23 LEU B 131 1.152 -0.859 24.031 1.00 0.00 H ATOM 1898 HD11 LEU B 131 -0.698 2.177 25.034 1.00 0.00 H ATOM 1899 HD12 LEU B 131 -0.345 0.867 26.187 1.00 0.00 H ATOM 1900 HD13 LEU B 131 0.882 1.358 24.994 1.00 0.00 H ATOM 1901 H LEU B 131 -3.116 0.992 22.052 1.00 0.00 H ATOM 1902 N PHE B 132 -5.086 -1.976 24.187 1.00 40.03 N ATOM 1903 CA PHE B 132 -6.491 -2.227 24.581 1.00 38.93 C ATOM 1904 C PHE B 132 -6.536 -2.986 25.883 1.00 39.74 C ATOM 1905 O PHE B 132 -5.762 -3.932 26.076 1.00 40.50 O ATOM 1906 CB PHE B 132 -7.237 -3.009 23.523 1.00 36.82 C ATOM 1907 CG PHE B 132 -7.408 -2.264 22.233 1.00 38.84 C ATOM 1908 CD1 PHE B 132 -8.527 -1.422 22.027 1.00 38.51 C ATOM 1909 CD2 PHE B 132 -6.445 -2.377 21.199 1.00 38.18 C ATOM 1910 CE1 PHE B 132 -8.683 -0.700 20.818 1.00 36.29 C ATOM 1911 CE2 PHE B 132 -6.593 -1.634 19.985 1.00 35.76 C ATOM 1912 CZ PHE B 132 -7.712 -0.809 19.807 1.00 36.46 C ATOM 1913 HA PHE B 132 -6.976 -1.258 24.697 1.00 0.00 H ATOM 1914 HB2 PHE B 132 -6.686 -3.927 23.320 1.00 0.00 H ATOM 1915 HB3 PHE B 132 -8.225 -3.258 23.911 1.00 0.00 H ATOM 1916 HD2 PHE B 132 -5.586 -3.035 21.330 1.00 0.00 H ATOM 1917 HE2 PHE B 132 -5.839 -1.709 19.202 1.00 0.00 H ATOM 1918 HZ PHE B 132 -7.830 -0.249 18.880 1.00 0.00 H ATOM 1919 HE1 PHE B 132 -9.554 -0.061 20.672 1.00 0.00 H ATOM 1920 HD1 PHE B 132 -9.280 -1.328 22.810 1.00 0.00 H ATOM 1921 H PHE B 132 -4.429 -2.782 24.174 1.00 0.00 H ATOM 1922 N LEU B 133 -7.421 -2.577 26.790 1.00 39.71 N ATOM 1923 CA LEU B 133 -7.552 -3.275 28.043 1.00 40.60 C ATOM 1924 C LEU B 133 -8.815 -4.132 27.956 1.00 41.26 C ATOM 1925 O LEU B 133 -9.889 -3.611 27.814 1.00 40.83 O ATOM 1926 CB LEU B 133 -7.606 -2.284 29.202 1.00 40.85 C ATOM 1927 CG LEU B 133 -7.669 -2.765 30.669 1.00 42.79 C ATOM 1928 CD1 LEU B 133 -6.498 -3.678 31.131 1.00 37.78 C ATOM 1929 CD2 LEU B 133 -7.804 -1.523 31.598 1.00 43.38 C ATOM 1930 HA LEU B 133 -6.691 -3.916 28.230 1.00 0.00 H ATOM 1931 HB2 LEU B 133 -6.714 -1.663 29.119 1.00 0.00 H ATOM 1932 HB3 LEU B 133 -8.491 -1.669 29.041 1.00 0.00 H ATOM 1933 HG LEU B 133 -8.544 -3.411 30.738 1.00 0.00 H ATOM 1934 HD21 LEU B 133 -6.941 -0.871 31.459 1.00 0.00 H ATOM 1935 HD22 LEU B 133 -8.715 -0.980 31.347 1.00 0.00 H ATOM 1936 HD23 LEU B 133 -7.849 -1.851 32.637 1.00 0.00 H ATOM 1937 HD11 LEU B 133 -6.475 -4.577 30.515 1.00 0.00 H ATOM 1938 HD12 LEU B 133 -5.556 -3.140 31.026 1.00 0.00 H ATOM 1939 HD13 LEU B 133 -6.645 -3.955 32.175 1.00 0.00 H ATOM 1940 H LEU B 133 -8.020 -1.750 26.593 1.00 0.00 H ATOM 1941 N PRO B 134 -8.656 -5.457 27.945 1.00 42.66 N ATOM 1942 CA PRO B 134 -9.774 -6.379 27.955 1.00 44.64 C ATOM 1943 C PRO B 134 -10.498 -6.401 29.302 1.00 48.05 C ATOM 1944 O PRO B 134 -9.919 -6.806 30.322 1.00 49.54 O ATOM 1945 CB PRO B 134 -9.112 -7.733 27.681 1.00 44.92 C ATOM 1946 CG PRO B 134 -7.714 -7.564 28.150 1.00 44.14 C ATOM 1947 CD PRO B 134 -7.372 -6.157 27.777 1.00 42.72 C ATOM 1948 HA PRO B 134 -10.538 -6.105 27.228 1.00 0.00 H ATOM 1949 HD3 PRO B 134 -6.611 -5.748 28.441 1.00 0.00 H ATOM 1950 HD2 PRO B 134 -7.023 -6.097 26.746 1.00 0.00 H ATOM 1951 HG3 PRO B 134 -7.050 -8.269 27.650 1.00 0.00 H ATOM 1952 HG2 PRO B 134 -7.648 -7.706 29.229 1.00 0.00 H ATOM 1953 HB2 PRO B 134 -9.612 -8.526 28.237 1.00 0.00 H ATOM 1954 HB3 PRO B 134 -9.136 -7.966 26.616 1.00 0.00 H ATOM 1955 N LEU B 135 -11.756 -5.950 29.309 1.00 49.54 N ATOM 1956 CA LEU B 135 -12.521 -5.858 30.551 1.00 51.41 C ATOM 1957 C LEU B 135 -13.607 -6.904 30.587 1.00 53.97 C ATOM 1958 O LEU B 135 -14.505 -6.909 29.757 1.00 53.38 O ATOM 1959 CB LEU B 135 -13.074 -4.457 30.732 1.00 50.09 C ATOM 1960 CG LEU B 135 -11.932 -3.417 30.872 1.00 50.00 C ATOM 1961 CD1 LEU B 135 -12.358 -2.041 30.409 1.00 46.37 C ATOM 1962 CD2 LEU B 135 -11.315 -3.358 32.305 1.00 49.88 C ATOM 1963 HA LEU B 135 -11.854 -6.056 31.390 1.00 0.00 H ATOM 1964 HB2 LEU B 135 -13.684 -4.201 29.866 1.00 0.00 H ATOM 1965 HB3 LEU B 135 -13.691 -4.431 31.630 1.00 0.00 H ATOM 1966 HG LEU B 135 -11.141 -3.768 30.209 1.00 0.00 H ATOM 1967 HD21 LEU B 135 -12.091 -3.090 33.022 1.00 0.00 H ATOM 1968 HD22 LEU B 135 -10.902 -4.333 32.562 1.00 0.00 H ATOM 1969 HD23 LEU B 135 -10.523 -2.609 32.328 1.00 0.00 H ATOM 1970 HD11 LEU B 135 -12.651 -2.086 29.360 1.00 0.00 H ATOM 1971 HD12 LEU B 135 -13.203 -1.703 31.009 1.00 0.00 H ATOM 1972 HD13 LEU B 135 -11.526 -1.346 30.526 1.00 0.00 H ATOM 1973 H LEU B 135 -12.199 -5.659 28.414 1.00 0.00 H ATOM 1974 N PRO B 136 -13.507 -7.839 31.526 1.00 57.61 N ATOM 1975 CA PRO B 136 -14.565 -8.851 31.546 1.00 59.97 C ATOM 1976 C PRO B 136 -15.949 -8.280 31.886 1.00 61.43 C ATOM 1977 O PRO B 136 -16.083 -7.501 32.838 1.00 62.73 O ATOM 1978 CB PRO B 136 -14.081 -9.848 32.614 1.00 61.88 C ATOM 1979 CG PRO B 136 -12.541 -9.732 32.541 1.00 60.91 C ATOM 1980 CD PRO B 136 -12.329 -8.231 32.331 1.00 58.99 C ATOM 1981 HA PRO B 136 -14.712 -9.303 30.565 1.00 0.00 H ATOM 1982 HD3 PRO B 136 -12.310 -7.700 33.283 1.00 0.00 H ATOM 1983 HD2 PRO B 136 -11.402 -8.038 31.790 1.00 0.00 H ATOM 1984 HG3 PRO B 136 -12.142 -10.307 31.705 1.00 0.00 H ATOM 1985 HG2 PRO B 136 -12.076 -10.070 33.467 1.00 0.00 H ATOM 1986 HB2 PRO B 136 -14.447 -9.570 33.602 1.00 0.00 H ATOM 1987 HB3 PRO B 136 -14.408 -10.861 32.379 1.00 0.00 H ATOM 1988 N VAL B 137 -16.949 -8.630 31.066 1.00 62.23 N ATOM 1989 CA VAL B 137 -18.370 -8.359 31.374 1.00 63.53 C ATOM 1990 C VAL B 137 -18.895 -9.397 32.357 1.00 65.40 C ATOM 1991 O VAL B 137 -19.014 -9.128 33.556 1.00 67.00 O ATOM 1992 CB VAL B 137 -19.277 -8.368 30.103 1.00 63.17 C ATOM 1993 CG1 VAL B 137 -20.730 -8.160 30.490 1.00 64.66 C ATOM 1994 CG2 VAL B 137 -18.841 -7.291 29.089 1.00 61.53 C ATOM 1995 HA VAL B 137 -18.410 -7.359 31.807 1.00 0.00 H ATOM 1996 HB VAL B 137 -19.169 -9.342 29.626 1.00 0.00 H ATOM 1997 HG11 VAL B 137 -21.045 -8.962 31.158 1.00 0.00 H ATOM 1998 HG12 VAL B 137 -20.836 -7.201 30.996 1.00 0.00 H ATOM 1999 HG13 VAL B 137 -21.349 -8.169 29.593 1.00 0.00 H ATOM 2000 HG21 VAL B 137 -18.908 -6.308 29.554 1.00 0.00 H ATOM 2001 HG22 VAL B 137 -17.813 -7.479 28.781 1.00 0.00 H ATOM 2002 HG23 VAL B 137 -19.495 -7.328 28.218 1.00 0.00 H ATOM 2003 H VAL B 137 -16.716 -9.113 30.175 1.00 0.00 H TER 2004 VAL B 137 HETATM 2005 O HOH 1 -6.777 7.353 7.253 1.00 46.05 O HETATM 2006 O HOH 2 -24.287 4.229 8.132 1.00 56.36 O HETATM 2007 O HOH 3 -21.116 -5.932 20.096 1.00 50.56 O HETATM 2008 O HOH 4 -4.080 -13.517 -0.364 1.00 75.60 O HETATM 2009 O HOH 5 -4.345 -16.861 1.383 1.00 57.43 O HETATM 2010 O HOH 6 -22.987 4.636 30.748 1.00 52.58 O HETATM 2011 O HOH 7 -20.949 -8.229 34.905 1.00 52.82 O HETATM 2012 O HOH 8 2.137 7.287 21.646 1.00 56.76 O HETATM 2013 O HOH 9 5.353 -7.549 28.347 1.00 59.02 O HETATM 2014 O HOH 10 -18.076 8.561 21.979 1.00 43.85 O HETATM 2015 O HOH 11 -15.484 -2.514 23.296 1.00 48.62 O HETATM 2016 O HOH 12 -20.347 8.035 20.247 1.00 50.48 O HETATM 2017 N SUS A 13 -2.226 10.065 16.549 1.00 -0.27 N HETATM 2018 S1 SUS A 13 -3.531 9.172 16.307 1.00 -0.12 S HETATM 2019 O1S SUS A 13 -4.676 9.979 16.717 1.00 -0.47 O HETATM 2020 O2S SUS A 13 -3.561 8.849 14.883 1.00 -0.47 O HETATM 2021 O3S SUS A 13 -3.385 7.977 17.133 1.00 -0.47 O HETATM 2022 C2 SUS A 13 -2.214 11.456 16.143 1.00 0.12 C HETATM 2023 C1 SUS A 13 -2.321 12.358 17.367 1.00 0.18 C HETATM 2024 O5 SUS A 13 -2.257 13.707 16.963 1.00 -0.34 O HETATM 2025 C5 SUS A 13 -0.999 14.033 16.416 1.00 0.12 C HETATM 2026 C4 SUS A 13 -0.791 13.256 15.121 1.00 0.11 C HETATM 2027 C3 SUS A 13 -0.947 11.757 15.351 1.00 0.14 C HETATM 2028 O3 SUS A 13 -1.001 11.094 14.109 1.00 -0.26 O HETATM 2029 S3 SUS A 13 -0.430 9.831 13.778 1.00 -0.07 S HETATM 2030 O7S SUS A 13 0.773 10.136 13.048 1.00 -0.46 O HETATM 2031 O8S SUS A 13 -0.086 8.840 14.771 1.00 -0.46 O HETATM 2032 O9S SUS A 13 -1.349 9.276 12.808 1.00 -0.46 O HETATM 2033 H SUS A 13 -0.089 11.405 15.924 1.00 0.07 H HETATM 2034 O4 SUS A 13 0.499 13.522 14.616 1.00 -0.39 O HETATM 2035 H SUS A 13 0.619 13.056 13.785 1.00 0.21 H HETATM 2036 H SUS A 13 -1.546 13.575 14.403 1.00 0.06 H HETATM 2037 C6 SUS A 13 -0.924 15.534 16.171 1.00 0.10 C HETATM 2038 O6 SUS A 13 -2.137 16.135 16.563 1.00 -0.26 O HETATM 2039 S2 SUS A 13 -2.752 17.284 15.705 1.00 -0.07 S HETATM 2040 O4S SUS A 13 -2.072 17.266 14.413 1.00 -0.46 O HETATM 2041 O5S SUS A 13 -4.172 16.988 15.544 1.00 -0.46 O HETATM 2042 O6S SUS A 13 -2.527 18.531 16.431 1.00 -0.46 O HETATM 2043 H SUS A 13 -0.752 15.721 15.111 1.00 0.06 H HETATM 2044 H SUS A 13 -0.104 15.957 16.752 1.00 0.06 H HETATM 2045 H SUS A 13 -0.207 13.759 17.113 1.00 0.06 H HETATM 2046 O4 SUS A 13 -1.256 12.081 18.248 1.00 -0.34 O HETATM 2047 C4 SUS A 13 -0.686 12.518 19.810 1.00 0.13 C HETATM 2048 C3 SUS A 13 -1.434 11.299 20.270 1.00 0.12 C HETATM 2049 C2 SUS A 13 -0.866 9.921 20.318 1.00 0.16 C HETATM 2050 C1 SUS A 13 0.494 10.029 20.969 1.00 0.19 C HETATM 2051 O1 SUS A 13 0.117 10.004 22.413 1.00 -0.35 O HETATM 2052 C7 SUS A 13 1.406 10.630 22.955 1.00 0.04 C HETATM 2053 H SUS A 13 2.255 10.002 22.684 1.00 0.05 H HETATM 2054 H SUS A 13 1.535 11.623 22.524 1.00 0.05 H HETATM 2055 H SUS A 13 1.342 10.709 24.040 1.00 0.05 H HETATM 2056 O5 SUS A 13 1.278 11.179 20.560 1.00 -0.33 O HETATM 2057 C5 SUS A 13 0.700 12.514 20.456 1.00 0.14 C HETATM 2058 C6 SUS A 13 1.604 13.392 19.612 1.00 0.07 C HETATM 2059 O61 SUS A 13 2.210 12.929 18.585 1.00 -0.57 O HETATM 2060 O62 SUS A 13 1.858 14.649 19.950 1.00 -0.57 O HETATM 2061 H SUS A 13 0.604 12.889 21.475 1.00 0.08 H HETATM 2062 H SUS A 13 1.183 9.235 20.682 1.00 0.09 H HETATM 2063 O2 SUS A 13 -0.684 9.304 19.015 1.00 -0.25 O HETATM 2064 S SUS A 13 -0.383 7.784 18.953 1.00 -0.07 S HETATM 2065 OS1 SUS A 13 0.142 7.466 17.600 1.00 -0.46 O HETATM 2066 OS2 SUS A 13 -1.627 7.035 19.218 1.00 -0.46 O HETATM 2067 OS3 SUS A 13 0.609 7.378 19.990 1.00 -0.46 O HETATM 2068 H SUS A 13 -1.572 9.295 20.864 1.00 0.07 H HETATM 2069 O3 SUS A 13 -2.744 11.479 20.996 1.00 -0.39 O HETATM 2070 H SUS A 13 -3.032 12.391 20.912 1.00 0.21 H HETATM 2071 H SUS A 13 -1.488 11.264 19.182 1.00 0.07 H HETATM 2072 H SUS A 13 -0.763 13.590 19.991 1.00 0.07 H HETATM 2073 H SUS A 13 -3.269 12.174 17.873 1.00 0.09 H HETATM 2074 H SUS A 13 -3.072 11.651 15.500 1.00 0.06 H HETATM 2075 H SUS A 13 -1.402 9.655 16.989 1.00 0.16 H CONECT 2017 2018 2022 2075 CONECT 2018 2017 2019 2020 2021 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2018 CONECT 2022 2017 2023 2027 2074 CONECT 2023 2022 2024 2046 2073 CONECT 2024 2023 2025 CONECT 2025 2024 2026 2037 2045 CONECT 2026 2025 2027 2034 2036 CONECT 2027 2022 2026 2028 2033 CONECT 2028 2027 2029 CONECT 2029 2028 2030 2031 2032 CONECT 2030 2029 CONECT 2031 2029 CONECT 2032 2029 CONECT 2033 2027 CONECT 2034 2026 2035 CONECT 2035 2034 CONECT 2036 2026 CONECT 2037 2025 2038 2043 2044 CONECT 2038 2037 2039 CONECT 2039 2038 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 CONECT 2043 2037 CONECT 2044 2037 CONECT 2045 2025 CONECT 2046 2023 2047 CONECT 2047 2046 2048 2057 2072 CONECT 2048 2047 2049 2069 2071 CONECT 2049 2048 2050 2063 2068 CONECT 2050 2049 2051 2056 2062 CONECT 2051 2050 2052 CONECT 2052 2051 2053 2054 2055 CONECT 2053 2052 CONECT 2054 2052 CONECT 2055 2052 CONECT 2056 2050 2057 CONECT 2057 2047 2056 2058 2061 CONECT 2058 2057 2059 2060 CONECT 2059 2058 CONECT 2060 2058 CONECT 2061 2057 CONECT 2062 2050 CONECT 2063 2049 2064 CONECT 2064 2063 2065 2066 2067 CONECT 2065 2064 CONECT 2066 2064 CONECT 2067 2064 CONECT 2068 2049 CONECT 2069 2048 2070 CONECT 2070 2069 CONECT 2071 2048 CONECT 2072 2047 CONECT 2073 2023 CONECT 2074 2022 CONECT 2075 2017 MASTER 0 0 0 0 0 0 0 0 2074 1 59 10 END
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Pocket-Ligand
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Protein Sequence Similarity
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PDBbind
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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%
3ud9
RCSB PDB
PDBbind
141aa, >3UD9_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4oeg
RCSB PDB
PDBbind
SUS-IDY
Entry Information
PDB ID
3uda
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heparin-binding growth factor 1
Ligand Name
SUS-IDY
EC.Number
E.C.-.-.-.-
Resolution
2.51(Å)
Affinity (Kd/Ki/IC50)
Kd=9.71uM
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
3
1
NO
2
3
S
4
Molecular Weight
697.638
Exact Mass
697.017
No. of atoms
72
No. of bonds
73
Polar Surface Area
498.36
LOGP Value
-5.11 (
Computed with XLOGP3
)
-0.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 24
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)OS(O)(O)O)O
InChI String
InChI=1S/C13H31NO23S4/c1-31-13-9(37-41(28,29)30)6(16)8(10(35-13)11(17)18)34-12-4(14-38(19,20)21)7(36-40(25,26)27)5(15)3(33-12)2-32-39(22,23)24/h3-10,12-16,19-30H,2H2,1H3,(H,17,18)/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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