Browse entries in the PDBbind-CN Database
HEADER 4MDQ_COMPLEX COMPND 4MDQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU SEQRES 2 A 86 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 3 A 86 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 4 A 86 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 5 A 86 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 6 A 86 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 7 A 86 ILE TYR ARG ASN LEU VAL VAL VAL HET UNN A 173 64 ATOM 1 N GLU A 25 21.195 14.543 6.137 1.00 50.94 N ATOM 2 CA GLU A 25 19.735 14.273 6.320 1.00 50.10 C ATOM 3 C GLU A 25 19.235 13.351 5.221 1.00 48.56 C ATOM 4 O GLU A 25 19.785 13.339 4.118 1.00 50.17 O ATOM 5 CB GLU A 25 18.932 15.580 6.316 1.00 49.71 C ATOM 6 HA GLU A 25 19.595 13.788 7.286 1.00 0.00 H ATOM 7 HB2 GLU A 25 19.276 16.219 7.130 1.00 0.00 H ATOM 8 HB3 GLU A 25 19.078 16.092 5.365 1.00 0.00 H ATOM 9 HN3 GLU A 25 21.350 14.996 5.213 1.00 0.00 H ATOM 10 HN2 GLU A 25 21.720 13.646 6.177 1.00 0.00 H ATOM 11 HN1 GLU A 25 21.527 15.174 6.894 1.00 0.00 H ATOM 12 N THR A 26 18.208 12.568 5.535 1.00 48.78 N ATOM 13 CA THR A 26 17.594 11.657 4.569 1.00 49.70 C ATOM 14 C THR A 26 16.902 12.441 3.445 1.00 46.46 C ATOM 15 O THR A 26 16.180 13.407 3.701 1.00 44.25 O ATOM 16 CB THR A 26 16.570 10.732 5.255 1.00 52.64 C ATOM 17 OG1 THR A 26 17.212 9.996 6.308 1.00 55.17 O ATOM 18 CG2 THR A 26 15.960 9.764 4.251 1.00 54.52 C ATOM 19 HA THR A 26 18.390 11.047 4.142 1.00 0.00 H ATOM 20 HB THR A 26 15.772 11.347 5.672 1.00 0.00 H ATOM 21 HG1 THR A 26 16.551 9.403 6.746 1.00 0.00 H ATOM 22 HG23 THR A 26 15.474 10.327 3.454 1.00 0.00 H ATOM 23 HG21 THR A 26 16.746 9.138 3.828 1.00 0.00 H ATOM 24 HG22 THR A 26 15.225 9.136 4.754 1.00 0.00 H ATOM 25 H THR A 26 17.827 12.604 6.502 1.00 0.00 H ATOM 26 N LEU A 27 17.151 12.036 2.203 1.00 43.62 N ATOM 27 CA LEU A 27 16.536 12.691 1.045 1.00 42.90 C ATOM 28 C LEU A 27 15.389 11.824 0.574 1.00 39.11 C ATOM 29 O LEU A 27 15.540 10.609 0.435 1.00 38.94 O ATOM 30 CB LEU A 27 17.546 12.896 -0.090 1.00 42.37 C ATOM 31 CG LEU A 27 18.720 13.819 0.239 1.00 43.57 C ATOM 32 CD1 LEU A 27 19.738 13.820 -0.894 1.00 45.30 C ATOM 33 CD2 LEU A 27 18.243 15.230 0.535 1.00 43.23 C ATOM 34 HA LEU A 27 16.179 13.679 1.337 1.00 0.00 H ATOM 35 HB2 LEU A 27 17.950 11.921 -0.362 1.00 0.00 H ATOM 36 HB3 LEU A 27 17.014 13.318 -0.943 1.00 0.00 H ATOM 37 HG LEU A 27 19.206 13.436 1.136 1.00 0.00 H ATOM 38 HD21 LEU A 27 17.722 15.626 -0.336 1.00 0.00 H ATOM 39 HD22 LEU A 27 17.565 15.211 1.388 1.00 0.00 H ATOM 40 HD23 LEU A 27 19.101 15.861 0.765 1.00 0.00 H ATOM 41 HD11 LEU A 27 20.115 12.808 -1.043 1.00 0.00 H ATOM 42 HD12 LEU A 27 19.260 14.169 -1.810 1.00 0.00 H ATOM 43 HD13 LEU A 27 20.564 14.483 -0.638 1.00 0.00 H ATOM 44 H LEU A 27 17.797 11.236 2.050 1.00 0.00 H ATOM 45 N VAL A 28 14.243 12.450 0.341 1.00 37.24 N ATOM 46 CA VAL A 28 13.052 11.723 -0.070 1.00 34.68 C ATOM 47 C VAL A 28 12.564 12.220 -1.417 1.00 34.38 C ATOM 48 O VAL A 28 12.842 13.356 -1.814 1.00 33.22 O ATOM 49 CB VAL A 28 11.931 11.815 0.978 1.00 35.18 C ATOM 50 CG1 VAL A 28 12.348 11.080 2.239 1.00 35.45 C ATOM 51 CG2 VAL A 28 11.574 13.268 1.294 1.00 35.65 C ATOM 52 HA VAL A 28 13.327 10.672 -0.160 1.00 0.00 H ATOM 53 HB VAL A 28 11.038 11.344 0.566 1.00 0.00 H ATOM 54 HG11 VAL A 28 12.537 10.033 2.002 1.00 0.00 H ATOM 55 HG12 VAL A 28 13.255 11.533 2.639 1.00 0.00 H ATOM 56 HG13 VAL A 28 11.550 11.148 2.978 1.00 0.00 H ATOM 57 HG21 VAL A 28 12.453 13.780 1.684 1.00 0.00 H ATOM 58 HG22 VAL A 28 11.237 13.764 0.384 1.00 0.00 H ATOM 59 HG23 VAL A 28 10.778 13.292 2.038 1.00 0.00 H ATOM 60 H VAL A 28 14.195 13.483 0.455 1.00 0.00 H ATOM 61 N ARG A 29 11.846 11.346 -2.114 1.00 34.20 N ATOM 62 CA ARG A 29 11.272 11.655 -3.409 1.00 34.77 C ATOM 63 C ARG A 29 9.742 11.584 -3.324 1.00 31.87 C ATOM 64 O ARG A 29 9.184 10.506 -3.421 1.00 30.99 O ATOM 65 CB ARG A 29 11.800 10.675 -4.464 1.00 36.79 C ATOM 66 CG ARG A 29 11.161 10.837 -5.838 1.00 40.10 C ATOM 67 CD ARG A 29 11.724 9.818 -6.803 1.00 42.41 C ATOM 68 NE ARG A 29 13.139 10.089 -7.025 1.00 43.77 N ATOM 69 CZ ARG A 29 13.607 10.997 -7.878 1.00 43.04 C ATOM 70 NH1 ARG A 29 12.786 11.716 -8.631 1.00 44.94 N ATOM 71 NH2 ARG A 29 14.916 11.172 -7.991 1.00 43.48 N ATOM 72 HA ARG A 29 11.561 12.664 -3.702 1.00 0.00 H ATOM 73 HB2 ARG A 29 12.875 10.827 -4.566 1.00 0.00 H ATOM 74 HB3 ARG A 29 11.609 9.660 -4.115 1.00 0.00 H ATOM 75 HG2 ARG A 29 10.084 10.695 -5.753 1.00 0.00 H ATOM 76 HG3 ARG A 29 11.365 11.840 -6.214 1.00 0.00 H ATOM 77 HD2 ARG A 29 11.189 9.880 -7.751 1.00 0.00 H ATOM 78 HD3 ARG A 29 11.606 8.818 -6.386 1.00 0.00 H ATOM 79 HE ARG A 29 13.830 9.535 -6.480 1.00 0.00 H ATOM 80 HH12 ARG A 29 13.170 12.421 -9.292 1.00 0.00 H ATOM 81 HH11 ARG A 29 11.758 11.575 -8.561 1.00 0.00 H ATOM 82 HH22 ARG A 29 15.291 11.879 -8.655 1.00 0.00 H ATOM 83 HH21 ARG A 29 15.568 10.602 -7.416 1.00 0.00 H ATOM 84 H ARG A 29 11.689 10.399 -1.713 1.00 0.00 H ATOM 85 N PRO A 30 9.061 12.739 -3.162 1.00 30.45 N ATOM 86 CA PRO A 30 7.603 12.712 -3.139 1.00 30.44 C ATOM 87 C PRO A 30 6.999 12.026 -4.371 1.00 30.35 C ATOM 88 O PRO A 30 7.513 12.159 -5.481 1.00 31.21 O ATOM 89 CB PRO A 30 7.224 14.199 -3.141 1.00 30.70 C ATOM 90 CG PRO A 30 8.419 14.903 -2.604 1.00 30.67 C ATOM 91 CD PRO A 30 9.575 14.118 -3.142 1.00 30.32 C ATOM 92 HA PRO A 30 7.229 12.149 -2.284 1.00 0.00 H ATOM 93 HD3 PRO A 30 9.842 14.451 -4.145 1.00 0.00 H ATOM 94 HD2 PRO A 30 10.444 14.203 -2.489 1.00 0.00 H ATOM 95 HG3 PRO A 30 8.417 14.893 -1.514 1.00 0.00 H ATOM 96 HG2 PRO A 30 8.453 15.934 -2.957 1.00 0.00 H ATOM 97 HB2 PRO A 30 7.003 14.537 -4.154 1.00 0.00 H ATOM 98 HB3 PRO A 30 6.357 14.374 -2.504 1.00 0.00 H ATOM 99 N LYS A 31 5.915 11.294 -4.171 1.00 30.82 N ATOM 100 CA LYS A 31 5.130 10.768 -5.290 1.00 30.03 C ATOM 101 C LYS A 31 4.466 11.926 -6.044 1.00 28.87 C ATOM 102 O LYS A 31 4.412 13.044 -5.525 1.00 27.60 O ATOM 103 CB LYS A 31 4.097 9.789 -4.767 1.00 32.38 C ATOM 104 CG LYS A 31 4.718 8.535 -4.187 1.00 35.08 C ATOM 105 CD LYS A 31 3.657 7.600 -3.651 1.00 37.39 C ATOM 106 CE LYS A 31 4.271 6.273 -3.255 1.00 39.91 C ATOM 107 NZ LYS A 31 3.254 5.453 -2.550 1.00 42.10 N ATOM 108 HA LYS A 31 5.782 10.240 -5.986 1.00 0.00 H ATOM 109 HB2 LYS A 31 3.513 10.281 -3.989 1.00 0.00 H ATOM 110 HB3 LYS A 31 3.439 9.505 -5.588 1.00 0.00 H ATOM 111 HG2 LYS A 31 5.283 8.024 -4.967 1.00 0.00 H ATOM 112 HG3 LYS A 31 5.391 8.813 -3.376 1.00 0.00 H ATOM 113 HD2 LYS A 31 3.187 8.053 -2.778 1.00 0.00 H ATOM 114 HD3 LYS A 31 2.904 7.432 -4.421 1.00 0.00 H ATOM 115 HE2 LYS A 31 5.120 6.447 -2.595 1.00 0.00 H ATOM 116 HE3 LYS A 31 4.608 5.747 -4.148 1.00 0.00 H ATOM 117 HZ1 LYS A 31 2.934 5.957 -1.699 1.00 0.00 H ATOM 118 HZ2 LYS A 31 2.445 5.288 -3.182 1.00 0.00 H ATOM 119 HZ3 LYS A 31 3.674 4.541 -2.277 1.00 0.00 H ATOM 120 H LYS A 31 5.614 11.088 -3.197 1.00 0.00 H ATOM 121 N PRO A 32 3.964 11.671 -7.276 1.00 28.83 N ATOM 122 CA PRO A 32 3.515 12.754 -8.166 1.00 27.81 C ATOM 123 C PRO A 32 2.497 13.741 -7.585 1.00 25.85 C ATOM 124 O PRO A 32 2.627 14.933 -7.808 1.00 26.36 O ATOM 125 CB PRO A 32 2.917 11.997 -9.360 1.00 28.61 C ATOM 126 CG PRO A 32 3.721 10.751 -9.410 1.00 29.85 C ATOM 127 CD PRO A 32 3.886 10.364 -7.960 1.00 29.68 C ATOM 128 HA PRO A 32 4.355 13.410 -8.397 1.00 0.00 H ATOM 129 HD3 PRO A 32 3.031 9.787 -7.608 1.00 0.00 H ATOM 130 HD2 PRO A 32 4.798 9.787 -7.809 1.00 0.00 H ATOM 131 HG3 PRO A 32 4.690 10.933 -9.875 1.00 0.00 H ATOM 132 HG2 PRO A 32 3.195 9.972 -9.962 1.00 0.00 H ATOM 133 HB2 PRO A 32 1.863 11.776 -9.194 1.00 0.00 H ATOM 134 HB3 PRO A 32 3.026 12.570 -10.281 1.00 0.00 H ATOM 135 N LEU A 33 1.503 13.270 -6.845 1.00 25.55 N ATOM 136 CA LEU A 33 0.489 14.195 -6.324 1.00 26.21 C ATOM 137 C LEU A 33 1.043 15.096 -5.216 1.00 24.10 C ATOM 138 O LEU A 33 0.718 16.272 -5.180 1.00 24.60 O ATOM 139 CB LEU A 33 -0.768 13.465 -5.841 1.00 25.89 C ATOM 140 CG LEU A 33 -1.732 13.007 -6.933 1.00 27.33 C ATOM 141 CD1 LEU A 33 -2.807 12.134 -6.309 1.00 28.44 C ATOM 142 CD2 LEU A 33 -2.346 14.187 -7.683 1.00 27.62 C ATOM 143 HA LEU A 33 0.205 14.831 -7.163 1.00 0.00 H ATOM 144 HB2 LEU A 33 -0.450 12.584 -5.284 1.00 0.00 H ATOM 145 HB3 LEU A 33 -1.311 14.137 -5.176 1.00 0.00 H ATOM 146 HG LEU A 33 -1.176 12.428 -7.671 1.00 0.00 H ATOM 147 HD21 LEU A 33 -2.897 14.814 -6.982 1.00 0.00 H ATOM 148 HD22 LEU A 33 -1.553 14.771 -8.150 1.00 0.00 H ATOM 149 HD23 LEU A 33 -3.025 13.815 -8.450 1.00 0.00 H ATOM 150 HD11 LEU A 33 -2.342 11.266 -5.841 1.00 0.00 H ATOM 151 HD12 LEU A 33 -3.348 12.708 -5.557 1.00 0.00 H ATOM 152 HD13 LEU A 33 -3.499 11.803 -7.083 1.00 0.00 H ATOM 153 H LEU A 33 1.442 12.253 -6.635 1.00 0.00 H ATOM 154 N LEU A 34 1.867 14.546 -4.326 1.00 23.60 N ATOM 155 CA LEU A 34 2.525 15.350 -3.284 1.00 22.84 C ATOM 156 C LEU A 34 3.482 16.370 -3.909 1.00 22.66 C ATOM 157 O LEU A 34 3.520 17.538 -3.511 1.00 21.86 O ATOM 158 CB LEU A 34 3.275 14.450 -2.295 1.00 24.19 C ATOM 159 CG LEU A 34 4.079 15.186 -1.210 1.00 23.70 C ATOM 160 CD1 LEU A 34 3.188 16.172 -0.473 1.00 24.51 C ATOM 161 CD2 LEU A 34 4.687 14.221 -0.228 1.00 24.37 C ATOM 162 HA LEU A 34 1.753 15.892 -2.738 1.00 0.00 H ATOM 163 HB2 LEU A 34 2.543 13.814 -1.798 1.00 0.00 H ATOM 164 HB3 LEU A 34 3.967 13.829 -2.864 1.00 0.00 H ATOM 165 HG LEU A 34 4.887 15.725 -1.705 1.00 0.00 H ATOM 166 HD21 LEU A 34 3.895 13.649 0.255 1.00 0.00 H ATOM 167 HD22 LEU A 34 5.357 13.542 -0.755 1.00 0.00 H ATOM 168 HD23 LEU A 34 5.248 14.775 0.524 1.00 0.00 H ATOM 169 HD11 LEU A 34 2.792 16.901 -1.180 1.00 0.00 H ATOM 170 HD12 LEU A 34 2.364 15.635 -0.004 1.00 0.00 H ATOM 171 HD13 LEU A 34 3.771 16.685 0.292 1.00 0.00 H ATOM 172 H LEU A 34 2.050 13.523 -4.368 1.00 0.00 H ATOM 173 N LEU A 35 4.250 15.933 -4.901 1.00 22.74 N ATOM 174 CA LEU A 35 5.150 16.831 -5.619 1.00 23.81 C ATOM 175 C LEU A 35 4.411 17.998 -6.276 1.00 24.29 C ATOM 176 O LEU A 35 4.876 19.135 -6.237 1.00 23.31 O ATOM 177 CB LEU A 35 5.909 16.054 -6.677 1.00 26.11 C ATOM 178 CG LEU A 35 7.032 16.820 -7.360 1.00 27.63 C ATOM 179 CD1 LEU A 35 8.224 16.942 -6.431 1.00 29.21 C ATOM 180 CD2 LEU A 35 7.395 16.112 -8.651 1.00 29.00 C ATOM 181 HA LEU A 35 5.840 17.251 -4.887 1.00 0.00 H ATOM 182 HB2 LEU A 35 6.341 15.172 -6.204 1.00 0.00 H ATOM 183 HB3 LEU A 35 5.198 15.743 -7.442 1.00 0.00 H ATOM 184 HG LEU A 35 6.705 17.832 -7.599 1.00 0.00 H ATOM 185 HD21 LEU A 35 7.723 15.097 -8.427 1.00 0.00 H ATOM 186 HD22 LEU A 35 6.522 16.078 -9.303 1.00 0.00 H ATOM 187 HD23 LEU A 35 8.200 16.654 -9.148 1.00 0.00 H ATOM 188 HD11 LEU A 35 7.926 17.475 -5.528 1.00 0.00 H ATOM 189 HD12 LEU A 35 8.580 15.946 -6.166 1.00 0.00 H ATOM 190 HD13 LEU A 35 9.020 17.492 -6.933 1.00 0.00 H ATOM 191 H LEU A 35 4.209 14.930 -5.172 1.00 0.00 H ATOM 192 N LYS A 36 3.266 17.711 -6.894 1.00 25.39 N ATOM 193 CA LYS A 36 2.407 18.748 -7.478 1.00 26.56 C ATOM 194 C LYS A 36 2.010 19.793 -6.409 1.00 24.28 C ATOM 195 O LYS A 36 2.077 21.004 -6.637 1.00 22.78 O ATOM 196 CB LYS A 36 1.169 18.086 -8.108 1.00 29.94 C ATOM 197 CG LYS A 36 0.121 19.022 -8.692 1.00 33.41 C ATOM 198 CD LYS A 36 -0.769 18.301 -9.719 1.00 36.73 C ATOM 199 CE LYS A 36 -0.217 18.371 -11.149 1.00 35.80 C ATOM 200 HA LYS A 36 2.954 19.278 -8.258 1.00 0.00 H ATOM 201 HB2 LYS A 36 1.514 17.434 -8.910 1.00 0.00 H ATOM 202 HB3 LYS A 36 0.685 17.487 -7.337 1.00 0.00 H ATOM 203 HG2 LYS A 36 -0.505 19.401 -7.884 1.00 0.00 H ATOM 204 HG3 LYS A 36 0.624 19.856 -9.182 1.00 0.00 H ATOM 205 HD2 LYS A 36 -0.853 17.253 -9.430 1.00 0.00 H ATOM 206 HD3 LYS A 36 -1.757 18.761 -9.705 1.00 0.00 H ATOM 207 HE2 LYS A 36 -0.137 19.414 -11.455 1.00 0.00 H ATOM 208 HE3 LYS A 36 0.768 17.905 -11.180 1.00 0.00 H ATOM 209 H LYS A 36 2.970 16.716 -6.965 1.00 0.00 H ATOM 210 N LEU A 37 1.630 19.311 -5.238 1.00 22.53 N ATOM 211 CA LEU A 37 1.254 20.181 -4.141 1.00 23.43 C ATOM 212 C LEU A 37 2.442 21.050 -3.712 1.00 23.04 C ATOM 213 O LEU A 37 2.309 22.259 -3.592 1.00 22.87 O ATOM 214 CB LEU A 37 0.740 19.351 -2.972 1.00 23.76 C ATOM 215 CG LEU A 37 0.172 20.091 -1.759 1.00 24.41 C ATOM 216 CD1 LEU A 37 -0.793 19.184 -1.014 1.00 24.41 C ATOM 217 CD2 LEU A 37 1.257 20.600 -0.810 1.00 25.60 C ATOM 218 HA LEU A 37 0.455 20.844 -4.474 1.00 0.00 H ATOM 219 HB2 LEU A 37 -0.049 18.704 -3.356 1.00 0.00 H ATOM 220 HB3 LEU A 37 1.570 18.739 -2.619 1.00 0.00 H ATOM 221 HG LEU A 37 -0.352 20.970 -2.133 1.00 0.00 H ATOM 222 HD21 LEU A 37 1.840 19.756 -0.441 1.00 0.00 H ATOM 223 HD22 LEU A 37 1.911 21.290 -1.344 1.00 0.00 H ATOM 224 HD23 LEU A 37 0.791 21.116 0.030 1.00 0.00 H ATOM 225 HD11 LEU A 37 -1.608 18.898 -1.679 1.00 0.00 H ATOM 226 HD12 LEU A 37 -0.265 18.291 -0.680 1.00 0.00 H ATOM 227 HD13 LEU A 37 -1.195 19.714 -0.151 1.00 0.00 H ATOM 228 H LEU A 37 1.600 18.281 -5.100 1.00 0.00 H ATOM 229 N LEU A 38 3.598 20.428 -3.505 1.00 23.36 N ATOM 230 CA LEU A 38 4.814 21.146 -3.117 1.00 23.56 C ATOM 231 C LEU A 38 5.167 22.204 -4.149 1.00 24.10 C ATOM 232 O LEU A 38 5.417 23.353 -3.791 1.00 22.42 O ATOM 233 CB LEU A 38 5.991 20.179 -2.937 1.00 24.50 C ATOM 234 CG LEU A 38 5.816 19.045 -1.920 1.00 25.84 C ATOM 235 CD1 LEU A 38 7.096 18.233 -1.793 1.00 27.16 C ATOM 236 CD2 LEU A 38 5.379 19.547 -0.554 1.00 25.91 C ATOM 237 HA LEU A 38 4.619 21.636 -2.163 1.00 0.00 H ATOM 238 HB2 LEU A 38 6.192 19.723 -3.906 1.00 0.00 H ATOM 239 HB3 LEU A 38 6.855 20.767 -2.627 1.00 0.00 H ATOM 240 HG LEU A 38 5.019 18.406 -2.301 1.00 0.00 H ATOM 241 HD21 LEU A 38 6.130 20.234 -0.164 1.00 0.00 H ATOM 242 HD22 LEU A 38 4.424 20.064 -0.647 1.00 0.00 H ATOM 243 HD23 LEU A 38 5.271 18.701 0.125 1.00 0.00 H ATOM 244 HD11 LEU A 38 7.349 17.802 -2.762 1.00 0.00 H ATOM 245 HD12 LEU A 38 7.906 18.883 -1.461 1.00 0.00 H ATOM 246 HD13 LEU A 38 6.948 17.434 -1.066 1.00 0.00 H ATOM 247 H LEU A 38 3.641 19.396 -3.623 1.00 0.00 H ATOM 248 N LYS A 39 5.165 21.832 -5.433 1.00 24.85 N ATOM 249 CA LYS A 39 5.492 22.790 -6.494 1.00 25.55 C ATOM 250 C LYS A 39 4.481 23.925 -6.635 1.00 25.94 C ATOM 251 O LYS A 39 4.842 25.006 -7.090 1.00 25.55 O ATOM 252 CB LYS A 39 5.673 22.089 -7.838 1.00 27.41 C ATOM 253 CG LYS A 39 6.877 21.162 -7.860 1.00 28.45 C ATOM 254 CD LYS A 39 7.257 20.757 -9.268 1.00 30.40 C ATOM 255 CE LYS A 39 8.504 19.895 -9.226 1.00 32.99 C ATOM 256 NZ LYS A 39 9.036 19.592 -10.580 1.00 34.75 N ATOM 257 HA LYS A 39 6.435 23.244 -6.188 1.00 0.00 H ATOM 258 HB2 LYS A 39 4.778 21.504 -8.049 1.00 0.00 H ATOM 259 HB3 LYS A 39 5.801 22.846 -8.612 1.00 0.00 H ATOM 260 HG2 LYS A 39 7.723 21.673 -7.400 1.00 0.00 H ATOM 261 HG3 LYS A 39 6.641 20.265 -7.287 1.00 0.00 H ATOM 262 HD2 LYS A 39 6.440 20.193 -9.717 1.00 0.00 H ATOM 263 HD3 LYS A 39 7.451 21.649 -9.863 1.00 0.00 H ATOM 264 HE2 LYS A 39 8.263 18.956 -8.727 1.00 0.00 H ATOM 265 HE3 LYS A 39 9.272 20.420 -8.658 1.00 0.00 H ATOM 266 HZ1 LYS A 39 8.314 19.083 -11.129 1.00 0.00 H ATOM 267 HZ2 LYS A 39 9.278 20.481 -11.063 1.00 0.00 H ATOM 268 HZ3 LYS A 39 9.887 19.001 -10.492 1.00 0.00 H ATOM 269 H LYS A 39 4.928 20.851 -5.683 1.00 0.00 H ATOM 270 N SER A 40 3.228 23.696 -6.236 1.00 25.27 N ATOM 271 CA SER A 40 2.216 24.763 -6.266 1.00 24.87 C ATOM 272 C SER A 40 2.548 25.898 -5.293 1.00 25.67 C ATOM 273 O SER A 40 2.059 27.023 -5.455 1.00 25.68 O ATOM 274 CB SER A 40 0.833 24.204 -5.953 1.00 24.70 C ATOM 275 OG SER A 40 0.710 23.837 -4.587 1.00 25.43 O ATOM 276 HA SER A 40 2.219 25.174 -7.275 1.00 0.00 H ATOM 277 HB2 SER A 40 0.659 23.324 -6.572 1.00 0.00 H ATOM 278 HB3 SER A 40 0.085 24.962 -6.184 1.00 0.00 H ATOM 279 HG SER A 40 1.383 23.143 -4.371 1.00 0.00 H ATOM 280 H SER A 40 2.963 22.749 -5.899 1.00 0.00 H ATOM 281 N VAL A 41 3.369 25.597 -4.284 1.00 25.64 N ATOM 282 CA VAL A 41 3.868 26.616 -3.347 1.00 26.57 C ATOM 283 C VAL A 41 5.361 26.924 -3.562 1.00 27.08 C ATOM 284 O VAL A 41 6.058 27.344 -2.646 1.00 28.71 O ATOM 285 CB VAL A 41 3.581 26.256 -1.861 1.00 25.53 C ATOM 286 CG1 VAL A 41 2.119 26.497 -1.536 1.00 26.42 C ATOM 287 CG2 VAL A 41 3.973 24.825 -1.533 1.00 25.34 C ATOM 288 HA VAL A 41 3.308 27.524 -3.571 1.00 0.00 H ATOM 289 HB VAL A 41 4.197 26.907 -1.241 1.00 0.00 H ATOM 290 HG11 VAL A 41 1.880 27.547 -1.702 1.00 0.00 H ATOM 291 HG12 VAL A 41 1.498 25.875 -2.181 1.00 0.00 H ATOM 292 HG13 VAL A 41 1.933 26.241 -0.493 1.00 0.00 H ATOM 293 HG21 VAL A 41 3.406 24.141 -2.164 1.00 0.00 H ATOM 294 HG22 VAL A 41 5.039 24.691 -1.715 1.00 0.00 H ATOM 295 HG23 VAL A 41 3.754 24.621 -0.485 1.00 0.00 H ATOM 296 H VAL A 41 3.666 24.609 -4.156 1.00 0.00 H ATOM 297 N GLY A 42 5.841 26.711 -4.781 1.00 27.49 N ATOM 298 CA GLY A 42 7.154 27.203 -5.195 1.00 26.94 C ATOM 299 C GLY A 42 8.309 26.232 -5.011 1.00 26.53 C ATOM 300 O GLY A 42 9.463 26.604 -5.206 1.00 27.95 O ATOM 301 HA3 GLY A 42 7.374 28.100 -4.616 1.00 0.00 H ATOM 302 HA2 GLY A 42 7.097 27.460 -6.253 1.00 0.00 H ATOM 303 H GLY A 42 5.265 26.177 -5.463 1.00 0.00 H ATOM 304 N ALA A 43 8.016 25.006 -4.605 1.00 25.40 N ATOM 305 CA ALA A 43 9.039 23.982 -4.563 1.00 25.81 C ATOM 306 C ALA A 43 9.549 23.728 -5.991 1.00 26.45 C ATOM 307 O ALA A 43 8.779 23.720 -6.953 1.00 24.91 O ATOM 308 CB ALA A 43 8.498 22.709 -3.929 1.00 25.60 C ATOM 309 HA ALA A 43 9.872 24.318 -3.946 1.00 0.00 H ATOM 310 HB1 ALA A 43 8.170 22.922 -2.912 1.00 0.00 H ATOM 311 HB2 ALA A 43 7.655 22.343 -4.515 1.00 0.00 H ATOM 312 HB3 ALA A 43 9.283 21.953 -3.908 1.00 0.00 H ATOM 313 H ALA A 43 7.044 24.777 -4.314 1.00 0.00 H ATOM 314 N GLN A 44 10.856 23.536 -6.122 1.00 27.69 N ATOM 315 CA GLN A 44 11.517 23.476 -7.433 1.00 27.34 C ATOM 316 C GLN A 44 12.008 22.094 -7.819 1.00 27.93 C ATOM 317 O GLN A 44 12.203 21.820 -8.998 1.00 30.97 O ATOM 318 CB GLN A 44 12.732 24.399 -7.439 1.00 26.80 C ATOM 319 CG GLN A 44 12.438 25.877 -7.529 1.00 27.37 C ATOM 320 CD GLN A 44 13.690 26.707 -7.280 1.00 28.48 C ATOM 321 OE1 GLN A 44 14.472 26.412 -6.373 1.00 30.65 O ATOM 322 NE2 GLN A 44 13.900 27.726 -8.094 1.00 26.89 N ATOM 323 HA GLN A 44 10.756 23.778 -8.153 1.00 0.00 H ATOM 324 HB2 GLN A 44 13.289 24.225 -6.518 1.00 0.00 H ATOM 325 HB3 GLN A 44 13.352 24.129 -8.294 1.00 0.00 H ATOM 326 HG2 GLN A 44 12.054 26.103 -8.524 1.00 0.00 H ATOM 327 HG3 GLN A 44 11.686 26.136 -6.783 1.00 0.00 H ATOM 328 HE22 GLN A 44 13.215 27.940 -8.846 1.00 0.00 H ATOM 329 HE21 GLN A 44 14.751 28.314 -7.983 1.00 0.00 H ATOM 330 H GLN A 44 11.434 23.424 -5.265 1.00 0.00 H ATOM 331 N LYS A 45 12.232 21.241 -6.836 1.00 30.42 N ATOM 332 CA LYS A 45 13.022 20.035 -7.021 1.00 31.37 C ATOM 333 C LYS A 45 12.168 18.778 -7.066 1.00 32.44 C ATOM 334 O LYS A 45 10.943 18.833 -6.927 1.00 33.21 O ATOM 335 CB LYS A 45 14.046 19.900 -5.888 1.00 31.71 C ATOM 336 CG LYS A 45 15.006 21.072 -5.734 1.00 31.56 C ATOM 337 CD LYS A 45 15.994 20.827 -4.597 1.00 32.36 C ATOM 338 CE LYS A 45 15.323 20.959 -3.233 1.00 33.11 C ATOM 339 NZ LYS A 45 16.149 20.407 -2.128 1.00 35.81 N ATOM 340 HA LYS A 45 13.525 20.133 -7.983 1.00 0.00 H ATOM 341 HB2 LYS A 45 13.499 19.787 -4.952 1.00 0.00 H ATOM 342 HB3 LYS A 45 14.637 19.003 -6.073 1.00 0.00 H ATOM 343 HG2 LYS A 45 15.559 21.204 -6.664 1.00 0.00 H ATOM 344 HG3 LYS A 45 14.434 21.975 -5.521 1.00 0.00 H ATOM 345 HD2 LYS A 45 16.404 19.822 -4.694 1.00 0.00 H ATOM 346 HD3 LYS A 45 16.802 21.556 -4.666 1.00 0.00 H ATOM 347 HE2 LYS A 45 14.373 20.424 -3.259 1.00 0.00 H ATOM 348 HE3 LYS A 45 15.139 22.015 -3.036 1.00 0.00 H ATOM 349 HZ1 LYS A 45 16.324 19.396 -2.300 1.00 0.00 H ATOM 350 HZ2 LYS A 45 17.055 20.915 -2.087 1.00 0.00 H ATOM 351 HZ3 LYS A 45 15.643 20.524 -1.227 1.00 0.00 H ATOM 352 H LYS A 45 11.829 21.439 -5.898 1.00 0.00 H ATOM 353 N ASP A 46 12.832 17.646 -7.291 1.00 32.35 N ATOM 354 CA ASP A 46 12.184 16.344 -7.229 1.00 34.27 C ATOM 355 C ASP A 46 12.609 15.519 -6.016 1.00 32.37 C ATOM 356 O ASP A 46 11.933 14.560 -5.680 1.00 29.42 O ATOM 357 CB ASP A 46 12.404 15.581 -8.542 1.00 37.74 C ATOM 358 CG ASP A 46 11.433 16.015 -9.635 1.00 40.37 C ATOM 359 OD1 ASP A 46 11.048 15.162 -10.455 1.00 45.83 O ATOM 360 OD2 ASP A 46 11.020 17.199 -9.666 1.00 43.38 O ATOM 361 HA ASP A 46 11.116 16.520 -7.101 1.00 0.00 H ATOM 362 HB2 ASP A 46 13.422 15.762 -8.886 1.00 0.00 H ATOM 363 HB3 ASP A 46 12.268 14.516 -8.355 1.00 0.00 H ATOM 364 H ASP A 46 13.846 17.694 -7.518 1.00 0.00 H ATOM 365 N THR A 47 13.708 15.901 -5.356 1.00 32.75 N ATOM 366 CA THR A 47 14.134 15.282 -4.091 1.00 33.20 C ATOM 367 C THR A 47 14.243 16.351 -2.985 1.00 30.64 C ATOM 368 O THR A 47 14.589 17.499 -3.246 1.00 32.12 O ATOM 369 CB THR A 47 15.471 14.499 -4.239 1.00 36.04 C ATOM 370 OG1 THR A 47 16.582 15.387 -4.212 1.00 37.48 O ATOM 371 CG2 THR A 47 15.521 13.739 -5.558 1.00 38.23 C ATOM 372 HA THR A 47 13.372 14.555 -3.808 1.00 0.00 H ATOM 373 HB THR A 47 15.521 13.801 -3.403 1.00 0.00 H ATOM 374 HG1 THR A 47 16.591 15.876 -3.351 1.00 0.00 H ATOM 375 HG23 THR A 47 14.680 13.048 -5.610 1.00 0.00 H ATOM 376 HG21 THR A 47 15.463 14.446 -6.386 1.00 0.00 H ATOM 377 HG22 THR A 47 16.456 13.181 -5.619 1.00 0.00 H ATOM 378 H THR A 47 14.286 16.668 -5.754 1.00 0.00 H ATOM 379 N TYR A 48 13.912 15.971 -1.759 1.00 29.27 N ATOM 380 CA TYR A 48 13.805 16.921 -0.642 1.00 28.03 C ATOM 381 C TYR A 48 14.198 16.240 0.649 1.00 27.58 C ATOM 382 O TYR A 48 14.112 15.026 0.750 1.00 28.81 O ATOM 383 CB TYR A 48 12.359 17.426 -0.471 1.00 27.10 C ATOM 384 CG TYR A 48 11.803 18.192 -1.641 1.00 25.93 C ATOM 385 CD1 TYR A 48 11.150 17.539 -2.677 1.00 25.19 C ATOM 386 CD2 TYR A 48 11.936 19.568 -1.720 1.00 26.06 C ATOM 387 CE1 TYR A 48 10.655 18.239 -3.764 1.00 24.88 C ATOM 388 CE2 TYR A 48 11.436 20.280 -2.807 1.00 25.29 C ATOM 389 CZ TYR A 48 10.798 19.606 -3.823 1.00 24.40 C ATOM 390 OH TYR A 48 10.288 20.303 -4.891 1.00 24.53 O ATOM 391 HA TYR A 48 14.465 17.759 -0.866 1.00 0.00 H ATOM 392 HB3 TYR A 48 12.330 18.077 0.403 1.00 0.00 H ATOM 393 HB2 TYR A 48 11.718 16.561 -0.299 1.00 0.00 H ATOM 394 HD2 TYR A 48 12.441 20.104 -0.916 1.00 0.00 H ATOM 395 HE2 TYR A 48 11.549 21.363 -2.853 1.00 0.00 H ATOM 396 HE1 TYR A 48 10.153 17.708 -4.572 1.00 0.00 H ATOM 397 HD1 TYR A 48 11.025 16.457 -2.634 1.00 0.00 H ATOM 398 HH TYR A 48 9.866 19.671 -5.525 1.00 0.00 H ATOM 399 H TYR A 48 13.721 14.964 -1.581 1.00 0.00 H ATOM 400 N THR A 49 14.605 17.030 1.640 1.00 28.86 N ATOM 401 CA THR A 49 14.657 16.557 3.030 1.00 30.08 C ATOM 402 C THR A 49 13.243 16.619 3.623 1.00 30.43 C ATOM 403 O THR A 49 12.451 17.476 3.230 1.00 29.61 O ATOM 404 CB THR A 49 15.588 17.428 3.907 1.00 30.95 C ATOM 405 OG1 THR A 49 15.054 18.751 4.031 1.00 31.07 O ATOM 406 CG2 THR A 49 16.983 17.528 3.310 1.00 32.67 C ATOM 407 HA THR A 49 15.048 15.539 3.022 1.00 0.00 H ATOM 408 HB THR A 49 15.652 16.950 4.885 1.00 0.00 H ATOM 409 HG1 THR A 49 15.658 19.298 4.594 1.00 0.00 H ATOM 410 HG23 THR A 49 17.406 16.528 3.208 1.00 0.00 H ATOM 411 HG21 THR A 49 16.924 18.001 2.330 1.00 0.00 H ATOM 412 HG22 THR A 49 17.615 18.126 3.966 1.00 0.00 H ATOM 413 H THR A 49 14.893 18.006 1.425 1.00 0.00 H ATOM 414 N MET A 50 12.936 15.742 4.578 1.00 31.62 N ATOM 415 CA MET A 50 11.626 15.753 5.229 1.00 32.94 C ATOM 416 C MET A 50 11.286 17.116 5.833 1.00 33.01 C ATOM 417 O MET A 50 10.123 17.500 5.870 1.00 33.80 O ATOM 418 CB MET A 50 11.539 14.670 6.302 1.00 35.35 C ATOM 419 CG MET A 50 11.424 13.256 5.738 1.00 37.53 C ATOM 420 SD MET A 50 9.822 12.940 4.970 1.00 41.76 S ATOM 421 CE MET A 50 8.714 12.847 6.379 1.00 41.18 C ATOM 422 HA MET A 50 10.892 15.545 4.451 1.00 0.00 H ATOM 423 HB2 MET A 50 12.436 14.723 6.919 1.00 0.00 H ATOM 424 HB3 MET A 50 10.663 14.867 6.920 1.00 0.00 H ATOM 425 HG2 MET A 50 11.568 12.544 6.550 1.00 0.00 H ATOM 426 HG3 MET A 50 12.204 13.114 4.990 1.00 0.00 H ATOM 427 HE1 MET A 50 9.032 12.038 7.037 1.00 0.00 H ATOM 428 HE2 MET A 50 8.740 13.791 6.923 1.00 0.00 H ATOM 429 HE3 MET A 50 7.699 12.656 6.030 1.00 0.00 H ATOM 430 H MET A 50 13.642 15.035 4.867 1.00 0.00 H ATOM 431 N LYS A 51 12.293 17.837 6.315 1.00 31.87 N ATOM 432 CA LYS A 51 12.093 19.185 6.836 1.00 32.01 C ATOM 433 C LYS A 51 11.609 20.139 5.767 1.00 29.37 C ATOM 434 O LYS A 51 10.769 20.987 6.044 1.00 26.30 O ATOM 435 CB LYS A 51 13.384 19.744 7.449 1.00 34.53 C ATOM 436 CG LYS A 51 13.665 19.219 8.853 1.00 37.21 C ATOM 437 CD LYS A 51 15.083 19.553 9.288 1.00 39.39 C ATOM 438 CE LYS A 51 15.452 18.827 10.569 1.00 41.58 C ATOM 439 NZ LYS A 51 15.053 19.636 11.751 1.00 43.32 N ATOM 440 HA LYS A 51 11.328 19.102 7.608 1.00 0.00 H ATOM 441 HB2 LYS A 51 14.219 19.471 6.804 1.00 0.00 H ATOM 442 HB3 LYS A 51 13.303 20.830 7.496 1.00 0.00 H ATOM 443 HG2 LYS A 51 12.962 19.673 9.551 1.00 0.00 H ATOM 444 HG3 LYS A 51 13.535 18.137 8.861 1.00 0.00 H ATOM 445 HD2 LYS A 51 15.775 19.257 8.500 1.00 0.00 H ATOM 446 HD3 LYS A 51 15.160 20.628 9.454 1.00 0.00 H ATOM 447 HE2 LYS A 51 16.529 18.662 10.592 1.00 0.00 H ATOM 448 HE3 LYS A 51 14.938 17.866 10.600 1.00 0.00 H ATOM 449 HZ1 LYS A 51 15.545 20.552 11.725 1.00 0.00 H ATOM 450 HZ2 LYS A 51 14.025 19.792 11.732 1.00 0.00 H ATOM 451 HZ3 LYS A 51 15.311 19.128 12.621 1.00 0.00 H ATOM 452 H LYS A 51 13.250 17.429 6.321 1.00 0.00 H ATOM 453 N GLU A 52 12.163 20.020 4.565 1.00 28.17 N ATOM 454 CA GLU A 52 11.714 20.827 3.437 1.00 29.68 C ATOM 455 C GLU A 52 10.267 20.497 3.072 1.00 27.29 C ATOM 456 O GLU A 52 9.488 21.394 2.814 1.00 26.91 O ATOM 457 CB GLU A 52 12.602 20.611 2.215 1.00 32.52 C ATOM 458 CG GLU A 52 13.944 21.323 2.280 1.00 35.51 C ATOM 459 CD GLU A 52 14.729 21.162 0.993 1.00 38.17 C ATOM 460 OE1 GLU A 52 15.086 20.017 0.653 1.00 38.84 O ATOM 461 OE2 GLU A 52 14.969 22.181 0.311 1.00 43.00 O ATOM 462 HA GLU A 52 11.779 21.871 3.742 1.00 0.00 H ATOM 463 HB2 GLU A 52 12.788 19.542 2.113 1.00 0.00 H ATOM 464 HB3 GLU A 52 12.067 20.971 1.336 1.00 0.00 H ATOM 465 HG2 GLU A 52 13.772 22.384 2.459 1.00 0.00 H ATOM 466 HG3 GLU A 52 14.525 20.907 3.103 1.00 0.00 H ATOM 467 H GLU A 52 12.934 19.336 4.426 1.00 0.00 H ATOM 468 N VAL A 53 9.926 19.209 3.064 1.00 26.69 N ATOM 469 CA VAL A 53 8.557 18.748 2.754 1.00 25.99 C ATOM 470 C VAL A 53 7.585 19.366 3.749 1.00 25.32 C ATOM 471 O VAL A 53 6.594 19.972 3.362 1.00 24.51 O ATOM 472 CB VAL A 53 8.460 17.206 2.759 1.00 25.86 C ATOM 473 CG1 VAL A 53 7.019 16.722 2.605 1.00 25.97 C ATOM 474 CG2 VAL A 53 9.322 16.634 1.640 1.00 26.31 C ATOM 475 HA VAL A 53 8.295 19.073 1.747 1.00 0.00 H ATOM 476 HB VAL A 53 8.823 16.854 3.725 1.00 0.00 H ATOM 477 HG11 VAL A 53 6.419 17.104 3.431 1.00 0.00 H ATOM 478 HG12 VAL A 53 6.614 17.086 1.661 1.00 0.00 H ATOM 479 HG13 VAL A 53 7.000 15.632 2.614 1.00 0.00 H ATOM 480 HG21 VAL A 53 8.971 17.016 0.681 1.00 0.00 H ATOM 481 HG22 VAL A 53 10.359 16.932 1.793 1.00 0.00 H ATOM 482 HG23 VAL A 53 9.250 15.546 1.648 1.00 0.00 H ATOM 483 H VAL A 53 10.653 18.499 3.285 1.00 0.00 H ATOM 484 N LEU A 54 7.904 19.248 5.030 1.00 24.51 N ATOM 485 CA LEU A 54 7.083 19.837 6.079 1.00 25.40 C ATOM 486 C LEU A 54 6.979 21.361 5.923 1.00 24.30 C ATOM 487 O LEU A 54 5.909 21.939 6.127 1.00 24.83 O ATOM 488 CB LEU A 54 7.650 19.449 7.444 1.00 25.94 C ATOM 489 CG LEU A 54 6.773 19.687 8.666 1.00 26.58 C ATOM 490 CD1 LEU A 54 5.574 18.752 8.721 1.00 26.31 C ATOM 491 CD2 LEU A 54 7.630 19.494 9.890 1.00 26.45 C ATOM 492 HA LEU A 54 6.069 19.446 5.995 1.00 0.00 H ATOM 493 HB2 LEU A 54 7.881 18.384 7.411 1.00 0.00 H ATOM 494 HB3 LEU A 54 8.570 20.015 7.588 1.00 0.00 H ATOM 495 HG LEU A 54 6.371 20.699 8.614 1.00 0.00 H ATOM 496 HD21 LEU A 54 8.025 18.478 9.899 1.00 0.00 H ATOM 497 HD22 LEU A 54 8.455 20.206 9.870 1.00 0.00 H ATOM 498 HD23 LEU A 54 7.028 19.658 10.783 1.00 0.00 H ATOM 499 HD11 LEU A 54 4.958 18.900 7.834 1.00 0.00 H ATOM 500 HD12 LEU A 54 5.921 17.719 8.755 1.00 0.00 H ATOM 501 HD13 LEU A 54 4.986 18.969 9.613 1.00 0.00 H ATOM 502 H LEU A 54 8.762 18.722 5.293 1.00 0.00 H ATOM 503 N PHE A 55 8.072 22.015 5.540 1.00 22.71 N ATOM 504 CA PHE A 55 8.054 23.464 5.310 1.00 22.43 C ATOM 505 C PHE A 55 7.060 23.848 4.205 1.00 22.59 C ATOM 506 O PHE A 55 6.229 24.750 4.380 1.00 21.88 O ATOM 507 CB PHE A 55 9.461 23.994 4.957 1.00 22.67 C ATOM 508 CG PHE A 55 9.443 25.364 4.360 1.00 22.85 C ATOM 509 CD1 PHE A 55 9.237 26.468 5.164 1.00 24.71 C ATOM 510 CD2 PHE A 55 9.576 25.550 2.995 1.00 23.31 C ATOM 511 CE1 PHE A 55 9.168 27.741 4.626 1.00 24.81 C ATOM 512 CE2 PHE A 55 9.519 26.817 2.440 1.00 24.27 C ATOM 513 CZ PHE A 55 9.320 27.917 3.260 1.00 25.11 C ATOM 514 HA PHE A 55 7.730 23.928 6.241 1.00 0.00 H ATOM 515 HB2 PHE A 55 10.060 24.021 5.867 1.00 0.00 H ATOM 516 HB3 PHE A 55 9.919 23.311 4.242 1.00 0.00 H ATOM 517 HD2 PHE A 55 9.728 24.686 2.348 1.00 0.00 H ATOM 518 HE2 PHE A 55 9.630 26.949 1.364 1.00 0.00 H ATOM 519 HZ PHE A 55 9.283 28.918 2.831 1.00 0.00 H ATOM 520 HE1 PHE A 55 8.995 28.601 5.273 1.00 0.00 H ATOM 521 HD1 PHE A 55 9.127 26.334 6.240 1.00 0.00 H ATOM 522 H PHE A 55 8.958 21.488 5.401 1.00 0.00 H ATOM 523 N TYR A 56 7.156 23.175 3.060 1.00 22.43 N ATOM 524 CA TYR A 56 6.270 23.465 1.927 1.00 22.54 C ATOM 525 C TYR A 56 4.814 23.106 2.256 1.00 21.71 C ATOM 526 O TYR A 56 3.908 23.812 1.844 1.00 22.01 O ATOM 527 CB TYR A 56 6.746 22.760 0.639 1.00 23.19 C ATOM 528 CG TYR A 56 7.985 23.394 0.001 1.00 24.08 C ATOM 529 CD1 TYR A 56 7.938 24.671 -0.525 1.00 24.46 C ATOM 530 CD2 TYR A 56 9.194 22.708 -0.067 1.00 24.44 C ATOM 531 CE1 TYR A 56 9.049 25.253 -1.105 1.00 25.32 C ATOM 532 CE2 TYR A 56 10.318 23.281 -0.645 1.00 24.94 C ATOM 533 CZ TYR A 56 10.236 24.552 -1.163 1.00 26.33 C ATOM 534 OH TYR A 56 11.334 25.147 -1.737 1.00 29.22 O ATOM 535 HA TYR A 56 6.314 24.539 1.743 1.00 0.00 H ATOM 536 HB3 TYR A 56 5.934 22.789 -0.087 1.00 0.00 H ATOM 537 HB2 TYR A 56 6.978 21.723 0.882 1.00 0.00 H ATOM 538 HD2 TYR A 56 9.259 21.700 0.342 1.00 0.00 H ATOM 539 HE2 TYR A 56 11.257 22.729 -0.688 1.00 0.00 H ATOM 540 HE1 TYR A 56 8.988 26.261 -1.515 1.00 0.00 H ATOM 541 HD1 TYR A 56 7.004 25.231 -0.481 1.00 0.00 H ATOM 542 HH TYR A 56 11.641 24.601 -2.504 1.00 0.00 H ATOM 543 H TYR A 56 7.874 22.428 2.967 1.00 0.00 H ATOM 544 N LEU A 57 4.597 22.023 3.002 1.00 20.64 N ATOM 545 CA LEU A 57 3.256 21.682 3.446 1.00 20.58 C ATOM 546 C LEU A 57 2.679 22.803 4.307 1.00 21.01 C ATOM 547 O LEU A 57 1.533 23.187 4.123 1.00 21.09 O ATOM 548 CB LEU A 57 3.234 20.344 4.197 1.00 20.60 C ATOM 549 CG LEU A 57 3.277 19.095 3.304 1.00 21.11 C ATOM 550 CD1 LEU A 57 3.571 17.852 4.098 1.00 21.60 C ATOM 551 CD2 LEU A 57 1.976 18.898 2.534 1.00 23.44 C ATOM 552 HA LEU A 57 2.629 21.567 2.562 1.00 0.00 H ATOM 553 HB2 LEU A 57 4.098 20.315 4.861 1.00 0.00 H ATOM 554 HB3 LEU A 57 2.320 20.304 4.790 1.00 0.00 H ATOM 555 HG LEU A 57 4.085 19.263 2.592 1.00 0.00 H ATOM 556 HD21 LEU A 57 1.152 18.785 3.238 1.00 0.00 H ATOM 557 HD22 LEU A 57 1.796 19.765 1.899 1.00 0.00 H ATOM 558 HD23 LEU A 57 2.053 18.003 1.916 1.00 0.00 H ATOM 559 HD11 LEU A 57 4.539 17.956 4.589 1.00 0.00 H ATOM 560 HD12 LEU A 57 2.794 17.710 4.849 1.00 0.00 H ATOM 561 HD13 LEU A 57 3.593 16.992 3.429 1.00 0.00 H ATOM 562 H LEU A 57 5.397 21.415 3.270 1.00 0.00 H ATOM 563 N GLY A 58 3.479 23.333 5.233 1.00 21.13 N ATOM 564 CA GLY A 58 3.072 24.477 6.057 1.00 21.09 C ATOM 565 C GLY A 58 2.682 25.681 5.228 1.00 21.08 C ATOM 566 O GLY A 58 1.658 26.300 5.470 1.00 20.73 O ATOM 567 HA3 GLY A 58 3.903 24.754 6.706 1.00 0.00 H ATOM 568 HA2 GLY A 58 2.219 24.182 6.668 1.00 0.00 H ATOM 569 H GLY A 58 4.423 22.922 5.376 1.00 0.00 H ATOM 570 N GLN A 59 3.515 26.008 4.244 1.00 22.98 N ATOM 571 CA GLN A 59 3.256 27.096 3.315 1.00 23.51 C ATOM 572 C GLN A 59 1.917 26.915 2.598 1.00 22.74 C ATOM 573 O GLN A 59 1.160 27.866 2.419 1.00 23.63 O ATOM 574 CB GLN A 59 4.365 27.176 2.257 1.00 27.24 C ATOM 575 CG GLN A 59 5.774 27.428 2.772 1.00 30.21 C ATOM 576 CD GLN A 59 6.035 28.886 3.075 1.00 33.91 C ATOM 577 OE1 GLN A 59 6.136 29.282 4.237 1.00 40.53 O ATOM 578 NE2 GLN A 59 6.151 29.689 2.035 1.00 36.30 N ATOM 579 HA GLN A 59 3.227 28.015 3.901 1.00 0.00 H ATOM 580 HB2 GLN A 59 4.374 26.231 1.714 1.00 0.00 H ATOM 581 HB3 GLN A 59 4.112 27.985 1.572 1.00 0.00 H ATOM 582 HG2 GLN A 59 5.920 26.851 3.685 1.00 0.00 H ATOM 583 HG3 GLN A 59 6.486 27.096 2.016 1.00 0.00 H ATOM 584 HE22 GLN A 59 6.058 29.309 1.071 1.00 0.00 H ATOM 585 HE21 GLN A 59 6.335 30.702 2.179 1.00 0.00 H ATOM 586 H GLN A 59 4.392 25.460 4.134 1.00 0.00 H ATOM 587 N TYR A 60 1.651 25.692 2.156 1.00 22.24 N ATOM 588 CA TYR A 60 0.375 25.339 1.520 1.00 21.12 C ATOM 589 C TYR A 60 -0.775 25.570 2.487 1.00 19.63 C ATOM 590 O TYR A 60 -1.725 26.259 2.160 1.00 17.45 O ATOM 591 CB TYR A 60 0.419 23.869 1.101 1.00 21.05 C ATOM 592 CG TYR A 60 -0.823 23.324 0.418 1.00 21.99 C ATOM 593 CD1 TYR A 60 -1.018 23.487 -0.958 1.00 22.13 C ATOM 594 CD2 TYR A 60 -1.770 22.584 1.130 1.00 22.26 C ATOM 595 CE1 TYR A 60 -2.139 22.956 -1.596 1.00 22.84 C ATOM 596 CE2 TYR A 60 -2.893 22.052 0.497 1.00 23.02 C ATOM 597 CZ TYR A 60 -3.067 22.249 -0.869 1.00 23.38 C ATOM 598 OH TYR A 60 -4.159 21.716 -1.511 1.00 25.45 O ATOM 599 HA TYR A 60 0.219 25.967 0.643 1.00 0.00 H ATOM 600 HB3 TYR A 60 0.593 23.274 1.997 1.00 0.00 H ATOM 601 HB2 TYR A 60 1.257 23.744 0.415 1.00 0.00 H ATOM 602 HD2 TYR A 60 -1.629 22.420 2.198 1.00 0.00 H ATOM 603 HE2 TYR A 60 -3.629 21.486 1.068 1.00 0.00 H ATOM 604 HE1 TYR A 60 -2.279 23.101 -2.667 1.00 0.00 H ATOM 605 HD1 TYR A 60 -0.281 24.039 -1.542 1.00 0.00 H ATOM 606 HH TYR A 60 -4.987 22.082 -1.110 1.00 0.00 H ATOM 607 H TYR A 60 2.375 24.954 2.264 1.00 0.00 H ATOM 608 N ILE A 61 -0.669 24.999 3.683 1.00 19.59 N ATOM 609 CA ILE A 61 -1.699 25.162 4.710 1.00 20.43 C ATOM 610 C ILE A 61 -1.939 26.639 5.035 1.00 21.57 C ATOM 611 O ILE A 61 -3.078 27.073 5.098 1.00 22.96 O ATOM 612 CB ILE A 61 -1.336 24.373 5.982 1.00 20.23 C ATOM 613 CG1 ILE A 61 -1.458 22.880 5.719 1.00 20.16 C ATOM 614 CG2 ILE A 61 -2.204 24.792 7.163 1.00 20.36 C ATOM 615 CD1 ILE A 61 -0.705 22.025 6.715 1.00 20.16 C ATOM 616 HA ILE A 61 -2.629 24.757 4.310 1.00 0.00 H ATOM 617 HB ILE A 61 -0.302 24.600 6.244 1.00 0.00 H ATOM 618 HG12 ILE A 61 -2.513 22.608 5.759 1.00 0.00 H ATOM 619 HG13 ILE A 61 -1.068 22.673 4.722 1.00 0.00 H ATOM 620 HD11 ILE A 61 0.355 22.276 6.680 1.00 0.00 H ATOM 621 HD12 ILE A 61 -1.091 22.212 7.717 1.00 0.00 H ATOM 622 HD13 ILE A 61 -0.839 20.973 6.463 1.00 0.00 H ATOM 623 HG21 ILE A 61 -2.058 25.854 7.361 1.00 0.00 H ATOM 624 HG22 ILE A 61 -3.252 24.605 6.927 1.00 0.00 H ATOM 625 HG23 ILE A 61 -1.921 24.215 8.043 1.00 0.00 H ATOM 626 H ILE A 61 0.169 24.421 3.895 1.00 0.00 H ATOM 627 N MET A 62 -0.873 27.418 5.198 1.00 24.04 N ATOM 628 CA MET A 62 -1.007 28.851 5.472 1.00 25.97 C ATOM 629 C MET A 62 -1.682 29.614 4.347 1.00 25.00 C ATOM 630 O MET A 62 -2.614 30.372 4.584 1.00 22.52 O ATOM 631 CB MET A 62 0.364 29.501 5.675 1.00 28.61 C ATOM 632 CG MET A 62 1.094 29.089 6.939 1.00 31.79 C ATOM 633 SD MET A 62 0.184 29.515 8.412 1.00 35.73 S ATOM 634 CE MET A 62 0.302 31.306 8.339 1.00 33.12 C ATOM 635 HA MET A 62 -1.620 28.908 6.371 1.00 0.00 H ATOM 636 HB2 MET A 62 0.991 29.239 4.823 1.00 0.00 H ATOM 637 HB3 MET A 62 0.224 30.582 5.703 1.00 0.00 H ATOM 638 HG2 MET A 62 2.061 29.591 6.966 1.00 0.00 H ATOM 639 HG3 MET A 62 1.247 28.010 6.920 1.00 0.00 H ATOM 640 HE1 MET A 62 1.351 31.601 8.364 1.00 0.00 H ATOM 641 HE2 MET A 62 -0.155 31.662 7.416 1.00 0.00 H ATOM 642 HE3 MET A 62 -0.219 31.738 9.194 1.00 0.00 H ATOM 643 H MET A 62 0.077 27.000 5.129 1.00 0.00 H ATOM 644 N THR A 63 -1.156 29.478 3.136 1.00 25.24 N ATOM 645 CA THR A 63 -1.595 30.336 2.020 1.00 26.86 C ATOM 646 C THR A 63 -3.026 30.027 1.589 1.00 25.64 C ATOM 647 O THR A 63 -3.752 30.921 1.197 1.00 27.43 O ATOM 648 CB THR A 63 -0.685 30.207 0.786 1.00 28.34 C ATOM 649 OG1 THR A 63 -0.680 28.848 0.351 1.00 30.19 O ATOM 650 CG2 THR A 63 0.738 30.642 1.111 1.00 30.13 C ATOM 651 HA THR A 63 -1.538 31.354 2.404 1.00 0.00 H ATOM 652 HB THR A 63 -1.069 30.854 -0.003 1.00 0.00 H ATOM 653 HG1 THR A 63 -0.339 28.271 1.079 1.00 0.00 H ATOM 654 HG23 THR A 63 0.732 31.680 1.443 1.00 0.00 H ATOM 655 HG21 THR A 63 1.139 30.008 1.902 1.00 0.00 H ATOM 656 HG22 THR A 63 1.358 30.548 0.219 1.00 0.00 H ATOM 657 H THR A 63 -0.425 28.757 2.972 1.00 0.00 H ATOM 658 N LYS A 64 -3.426 28.768 1.700 1.00 26.41 N ATOM 659 CA LYS A 64 -4.804 28.355 1.423 1.00 27.10 C ATOM 660 C LYS A 64 -5.726 28.475 2.636 1.00 26.56 C ATOM 661 O LYS A 64 -6.906 28.135 2.549 1.00 24.92 O ATOM 662 CB LYS A 64 -4.829 26.916 0.926 1.00 28.26 C ATOM 663 CG LYS A 64 -4.159 26.739 -0.413 1.00 30.67 C ATOM 664 CD LYS A 64 -4.534 25.406 -1.029 1.00 34.30 C ATOM 665 CE LYS A 64 -5.848 25.483 -1.788 1.00 37.17 C ATOM 666 NZ LYS A 64 -6.578 24.186 -1.749 1.00 40.13 N ATOM 667 HA LYS A 64 -5.178 29.036 0.658 1.00 0.00 H ATOM 668 HB2 LYS A 64 -4.317 26.288 1.656 1.00 0.00 H ATOM 669 HB3 LYS A 64 -5.868 26.597 0.839 1.00 0.00 H ATOM 670 HG2 LYS A 64 -4.473 27.542 -1.079 1.00 0.00 H ATOM 671 HG3 LYS A 64 -3.078 26.781 -0.281 1.00 0.00 H ATOM 672 HD2 LYS A 64 -3.746 25.101 -1.718 1.00 0.00 H ATOM 673 HD3 LYS A 64 -4.628 24.665 -0.236 1.00 0.00 H ATOM 674 HE2 LYS A 64 -5.643 25.743 -2.826 1.00 0.00 H ATOM 675 HE3 LYS A 64 -6.472 26.255 -1.338 1.00 0.00 H ATOM 676 HZ1 LYS A 64 -5.990 23.446 -2.182 1.00 0.00 H ATOM 677 HZ2 LYS A 64 -6.782 23.934 -0.761 1.00 0.00 H ATOM 678 HZ3 LYS A 64 -7.470 24.275 -2.277 1.00 0.00 H ATOM 679 H LYS A 64 -2.736 28.047 1.994 1.00 0.00 H ATOM 680 N ARG A 65 -5.175 28.925 3.762 1.00 26.37 N ATOM 681 CA ARG A 65 -5.929 29.147 4.983 1.00 27.10 C ATOM 682 C ARG A 65 -6.750 27.921 5.391 1.00 26.03 C ATOM 683 O ARG A 65 -7.949 27.998 5.605 1.00 25.37 O ATOM 684 CB ARG A 65 -6.751 30.446 4.850 1.00 29.59 C ATOM 685 CG ARG A 65 -5.993 31.649 5.403 1.00 32.32 C ATOM 686 CD ARG A 65 -6.056 32.919 4.580 1.00 33.52 C ATOM 687 NE ARG A 65 -5.074 32.906 3.507 1.00 35.24 N ATOM 688 CZ ARG A 65 -4.384 33.954 3.039 1.00 36.25 C ATOM 689 NH1 ARG A 65 -4.503 35.179 3.548 1.00 35.92 N ATOM 690 NH2 ARG A 65 -3.529 33.756 2.038 1.00 36.25 N ATOM 691 HA ARG A 65 -5.238 29.288 5.814 1.00 0.00 H ATOM 692 HB2 ARG A 65 -6.971 30.620 3.797 1.00 0.00 H ATOM 693 HB3 ARG A 65 -7.685 30.332 5.401 1.00 0.00 H ATOM 694 HG2 ARG A 65 -6.398 31.872 6.390 1.00 0.00 H ATOM 695 HG3 ARG A 65 -4.945 31.366 5.498 1.00 0.00 H ATOM 696 HD2 ARG A 65 -5.861 33.773 5.229 1.00 0.00 H ATOM 697 HD3 ARG A 65 -7.052 33.013 4.148 1.00 0.00 H ATOM 698 HE ARG A 65 -4.888 31.987 3.056 1.00 0.00 H ATOM 699 HH12 ARG A 65 -3.946 35.963 3.152 1.00 0.00 H ATOM 700 HH11 ARG A 65 -5.153 35.351 4.342 1.00 0.00 H ATOM 701 HH22 ARG A 65 -2.981 34.554 1.657 1.00 0.00 H ATOM 702 HH21 ARG A 65 -3.409 32.804 1.637 1.00 0.00 H ATOM 703 H ARG A 65 -4.155 29.127 3.767 1.00 0.00 H ATOM 704 N LEU A 66 -6.071 26.781 5.501 1.00 24.99 N ATOM 705 CA LEU A 66 -6.708 25.514 5.914 1.00 25.28 C ATOM 706 C LEU A 66 -6.724 25.293 7.423 1.00 24.08 C ATOM 707 O LEU A 66 -7.318 24.339 7.900 1.00 23.74 O ATOM 708 CB LEU A 66 -6.001 24.317 5.250 1.00 24.87 C ATOM 709 CG LEU A 66 -5.859 24.376 3.725 1.00 25.10 C ATOM 710 CD1 LEU A 66 -5.231 23.104 3.199 1.00 24.43 C ATOM 711 CD2 LEU A 66 -7.191 24.647 3.031 1.00 24.89 C ATOM 712 HA LEU A 66 -7.745 25.589 5.585 1.00 0.00 H ATOM 713 HB2 LEU A 66 -5.000 24.244 5.675 1.00 0.00 H ATOM 714 HB3 LEU A 66 -6.566 23.418 5.497 1.00 0.00 H ATOM 715 HG LEU A 66 -5.201 25.214 3.495 1.00 0.00 H ATOM 716 HD21 LEU A 66 -7.895 23.851 3.275 1.00 0.00 H ATOM 717 HD22 LEU A 66 -7.589 25.603 3.371 1.00 0.00 H ATOM 718 HD23 LEU A 66 -7.037 24.679 1.952 1.00 0.00 H ATOM 719 HD11 LEU A 66 -4.243 22.978 3.642 1.00 0.00 H ATOM 720 HD12 LEU A 66 -5.860 22.254 3.463 1.00 0.00 H ATOM 721 HD13 LEU A 66 -5.139 23.167 2.115 1.00 0.00 H ATOM 722 H LEU A 66 -5.053 26.783 5.288 1.00 0.00 H ATOM 723 N TYR A 67 -6.030 26.158 8.159 1.00 25.67 N ATOM 724 CA TYR A 67 -5.959 26.079 9.617 1.00 25.53 C ATOM 725 C TYR A 67 -7.183 26.798 10.213 1.00 25.03 C ATOM 726 O TYR A 67 -7.706 27.763 9.641 1.00 23.28 O ATOM 727 CB TYR A 67 -4.622 26.662 10.158 1.00 25.39 C ATOM 728 CG TYR A 67 -4.409 28.136 9.837 1.00 26.04 C ATOM 729 CD1 TYR A 67 -4.830 29.132 10.719 1.00 27.04 C ATOM 730 CD2 TYR A 67 -3.820 28.535 8.640 1.00 26.21 C ATOM 731 CE1 TYR A 67 -4.664 30.477 10.420 1.00 27.32 C ATOM 732 CE2 TYR A 67 -3.644 29.881 8.337 1.00 26.65 C ATOM 733 CZ TYR A 67 -4.067 30.845 9.229 1.00 27.80 C ATOM 734 OH TYR A 67 -3.892 32.178 8.926 1.00 28.68 O ATOM 735 HA TYR A 67 -5.978 25.033 9.923 1.00 0.00 H ATOM 736 HB3 TYR A 67 -3.800 26.094 9.722 1.00 0.00 H ATOM 737 HB2 TYR A 67 -4.610 26.542 11.241 1.00 0.00 H ATOM 738 HD2 TYR A 67 -3.491 27.779 7.927 1.00 0.00 H ATOM 739 HE2 TYR A 67 -3.174 30.173 7.398 1.00 0.00 H ATOM 740 HE1 TYR A 67 -5.003 31.240 11.121 1.00 0.00 H ATOM 741 HD1 TYR A 67 -5.298 28.848 11.661 1.00 0.00 H ATOM 742 HH TYR A 67 -4.247 32.733 9.665 1.00 0.00 H ATOM 743 H TYR A 67 -5.516 26.923 7.676 1.00 0.00 H ATOM 744 N ASP A 68 -7.646 26.298 11.350 1.00 25.37 N ATOM 745 CA ASP A 68 -8.743 26.926 12.052 1.00 28.34 C ATOM 746 C ASP A 68 -8.285 28.279 12.620 1.00 28.58 C ATOM 747 O ASP A 68 -7.251 28.375 13.287 1.00 28.89 O ATOM 748 CB ASP A 68 -9.265 26.013 13.162 1.00 30.56 C ATOM 749 CG ASP A 68 -10.563 26.528 13.776 1.00 32.87 C ATOM 750 OD1 ASP A 68 -11.625 25.951 13.485 1.00 35.42 O ATOM 751 OD2 ASP A 68 -10.527 27.527 14.523 1.00 34.24 O ATOM 752 HA ASP A 68 -9.562 27.099 11.354 1.00 0.00 H ATOM 753 HB2 ASP A 68 -9.444 25.022 12.745 1.00 0.00 H ATOM 754 HB3 ASP A 68 -8.510 25.946 13.945 1.00 0.00 H ATOM 755 H ASP A 68 -7.212 25.439 11.744 1.00 0.00 H ATOM 756 N GLU A 69 -9.060 29.315 12.336 1.00 30.53 N ATOM 757 CA GLU A 69 -8.737 30.678 12.750 1.00 33.64 C ATOM 758 C GLU A 69 -8.704 30.845 14.265 1.00 35.97 C ATOM 759 O GLU A 69 -7.910 31.623 14.775 1.00 37.85 O ATOM 760 CB GLU A 69 -9.728 31.666 12.135 1.00 34.33 C ATOM 761 CG GLU A 69 -9.627 31.704 10.621 1.00 37.14 C ATOM 762 CD GLU A 69 -10.607 32.652 9.962 1.00 38.38 C ATOM 763 OE1 GLU A 69 -11.678 32.921 10.543 1.00 39.11 O ATOM 764 OE2 GLU A 69 -10.298 33.114 8.839 1.00 42.25 O ATOM 765 HA GLU A 69 -7.732 30.888 12.385 1.00 0.00 H ATOM 766 HB2 GLU A 69 -10.739 31.370 12.413 1.00 0.00 H ATOM 767 HB3 GLU A 69 -9.522 32.662 12.527 1.00 0.00 H ATOM 768 HG2 GLU A 69 -8.617 32.013 10.352 1.00 0.00 H ATOM 769 HG3 GLU A 69 -9.812 30.700 10.240 1.00 0.00 H ATOM 770 H GLU A 69 -9.934 29.151 11.796 1.00 0.00 H ATOM 771 N LYS A 70 -9.540 30.103 14.986 1.00 38.34 N ATOM 772 CA LYS A 70 -9.556 30.184 16.443 1.00 40.22 C ATOM 773 C LYS A 70 -8.534 29.244 17.061 1.00 39.89 C ATOM 774 O LYS A 70 -7.873 29.591 18.033 1.00 37.13 O ATOM 775 CB LYS A 70 -10.955 29.856 16.969 1.00 45.59 C ATOM 776 CG LYS A 70 -11.977 30.963 16.733 1.00 49.92 C ATOM 777 CD LYS A 70 -13.175 30.844 17.677 1.00 55.56 C ATOM 778 CE LYS A 70 -14.453 30.434 16.957 1.00 58.58 C ATOM 779 NZ LYS A 70 -15.073 31.606 16.265 1.00 61.27 N ATOM 780 HA LYS A 70 -9.291 31.202 16.727 1.00 0.00 H ATOM 781 HB2 LYS A 70 -11.306 28.952 16.471 1.00 0.00 H ATOM 782 HB3 LYS A 70 -10.885 29.675 18.042 1.00 0.00 H ATOM 783 HG2 LYS A 70 -11.496 31.928 16.894 1.00 0.00 H ATOM 784 HG3 LYS A 70 -12.331 30.902 15.704 1.00 0.00 H ATOM 785 HD2 LYS A 70 -12.947 30.096 18.437 1.00 0.00 H ATOM 786 HD3 LYS A 70 -13.339 31.809 18.156 1.00 0.00 H ATOM 787 HE2 LYS A 70 -15.160 30.033 17.683 1.00 0.00 H ATOM 788 HE3 LYS A 70 -14.217 29.667 16.219 1.00 0.00 H ATOM 789 HZ1 LYS A 70 -15.303 32.339 16.966 1.00 0.00 H ATOM 790 HZ2 LYS A 70 -14.403 31.989 15.568 1.00 0.00 H ATOM 791 HZ3 LYS A 70 -15.942 31.302 15.782 1.00 0.00 H ATOM 792 H LYS A 70 -10.194 29.454 14.503 1.00 0.00 H ATOM 793 N GLN A 71 -8.429 28.044 16.491 1.00 42.15 N ATOM 794 CA GLN A 71 -7.562 26.985 16.996 1.00 42.29 C ATOM 795 C GLN A 71 -6.564 26.629 15.899 1.00 38.52 C ATOM 796 O GLN A 71 -6.718 25.615 15.208 1.00 36.44 O ATOM 797 CB GLN A 71 -8.389 25.747 17.386 1.00 46.50 C ATOM 798 CG GLN A 71 -9.604 26.035 18.266 1.00 50.71 C ATOM 799 CD GLN A 71 -9.220 26.537 19.644 1.00 55.38 C ATOM 800 OE1 GLN A 71 -8.488 25.865 20.380 1.00 59.25 O ATOM 801 NE2 GLN A 71 -9.705 27.729 20.003 1.00 57.86 N ATOM 802 HA GLN A 71 -7.038 27.328 17.888 1.00 0.00 H ATOM 803 HB2 GLN A 71 -8.739 25.271 16.470 1.00 0.00 H ATOM 804 HB3 GLN A 71 -7.736 25.060 17.924 1.00 0.00 H ATOM 805 HG2 GLN A 71 -10.218 26.791 17.777 1.00 0.00 H ATOM 806 HG3 GLN A 71 -10.181 25.117 18.377 1.00 0.00 H ATOM 807 HE22 GLN A 71 -10.317 28.259 19.351 1.00 0.00 H ATOM 808 HE21 GLN A 71 -9.470 28.127 20.935 1.00 0.00 H ATOM 809 H GLN A 71 -8.996 27.852 15.640 1.00 0.00 H ATOM 810 N GLN A 72 -5.531 27.460 15.759 1.00 34.15 N ATOM 811 CA GLN A 72 -4.553 27.340 14.668 1.00 32.02 C ATOM 812 C GLN A 72 -3.777 26.008 14.597 1.00 32.24 C ATOM 813 O GLN A 72 -3.039 25.752 13.625 1.00 32.85 O ATOM 814 CB GLN A 72 -3.566 28.502 14.738 1.00 32.70 C ATOM 815 CG GLN A 72 -4.163 29.887 14.495 1.00 32.47 C ATOM 816 CD GLN A 72 -3.190 30.999 14.873 1.00 33.20 C ATOM 817 OE1 GLN A 72 -3.105 32.033 14.213 1.00 30.93 O ATOM 818 NE2 GLN A 72 -2.434 30.769 15.937 1.00 35.28 N ATOM 819 HA GLN A 72 -5.149 27.365 13.755 1.00 0.00 H ATOM 820 HB2 GLN A 72 -3.114 28.500 15.730 1.00 0.00 H ATOM 821 HB3 GLN A 72 -2.793 28.333 13.988 1.00 0.00 H ATOM 822 HG2 GLN A 72 -4.415 29.982 13.439 1.00 0.00 H ATOM 823 HG3 GLN A 72 -5.068 29.991 15.094 1.00 0.00 H ATOM 824 HE22 GLN A 72 -2.539 29.880 16.467 1.00 0.00 H ATOM 825 HE21 GLN A 72 -1.736 31.477 16.242 1.00 0.00 H ATOM 826 H GLN A 72 -5.412 28.227 16.452 1.00 0.00 H ATOM 827 N HIS A 73 -3.930 25.157 15.607 1.00 30.67 N ATOM 828 CA HIS A 73 -3.330 23.840 15.556 1.00 31.70 C ATOM 829 C HIS A 73 -4.178 22.872 14.723 1.00 28.39 C ATOM 830 O HIS A 73 -3.676 21.851 14.272 1.00 27.22 O ATOM 831 CB HIS A 73 -3.061 23.302 16.970 1.00 34.40 C ATOM 832 CG HIS A 73 -4.294 22.933 17.729 1.00 37.11 C ATOM 833 ND1 HIS A 73 -4.729 21.630 17.846 1.00 40.03 N ATOM 834 CD2 HIS A 73 -5.183 23.690 18.414 1.00 39.29 C ATOM 835 CE1 HIS A 73 -5.835 21.600 18.569 1.00 40.69 C ATOM 836 NE2 HIS A 73 -6.133 22.838 18.923 1.00 40.94 N ATOM 837 HA HIS A 73 -2.366 23.928 15.055 1.00 0.00 H ATOM 838 HB2 HIS A 73 -2.433 22.415 16.885 1.00 0.00 H ATOM 839 HB3 HIS A 73 -2.529 24.069 17.533 1.00 0.00 H ATOM 840 HD2 HIS A 73 -5.151 24.772 18.538 1.00 0.00 H ATOM 841 HE1 HIS A 73 -6.404 20.707 18.829 1.00 0.00 H ATOM 842 H HIS A 73 -4.485 25.439 16.440 1.00 0.00 H ATOM 843 N ILE A 74 -5.443 23.208 14.493 1.00 26.98 N ATOM 844 CA ILE A 74 -6.334 22.349 13.706 1.00 27.12 C ATOM 845 C ILE A 74 -6.258 22.693 12.216 1.00 24.97 C ATOM 846 O ILE A 74 -6.502 23.843 11.810 1.00 21.93 O ATOM 847 CB ILE A 74 -7.800 22.460 14.177 1.00 29.35 C ATOM 848 CG1 ILE A 74 -7.899 22.130 15.677 1.00 30.86 C ATOM 849 CG2 ILE A 74 -8.706 21.544 13.349 1.00 29.77 C ATOM 850 CD1 ILE A 74 -9.322 22.110 16.209 1.00 32.13 C ATOM 851 HA ILE A 74 -5.994 21.325 13.859 1.00 0.00 H ATOM 852 HB ILE A 74 -8.140 23.485 14.028 1.00 0.00 H ATOM 853 HG12 ILE A 74 -7.456 21.148 15.843 1.00 0.00 H ATOM 854 HG13 ILE A 74 -7.335 22.880 16.232 1.00 0.00 H ATOM 855 HD11 ILE A 74 -9.777 23.089 16.062 1.00 0.00 H ATOM 856 HD12 ILE A 74 -9.898 21.356 15.673 1.00 0.00 H ATOM 857 HD13 ILE A 74 -9.308 21.870 17.272 1.00 0.00 H ATOM 858 HG21 ILE A 74 -8.650 21.832 12.299 1.00 0.00 H ATOM 859 HG22 ILE A 74 -8.377 20.511 13.462 1.00 0.00 H ATOM 860 HG23 ILE A 74 -9.734 21.639 13.699 1.00 0.00 H ATOM 861 H ILE A 74 -5.810 24.101 14.880 1.00 0.00 H ATOM 862 N VAL A 75 -5.929 21.680 11.414 1.00 22.93 N ATOM 863 CA VAL A 75 -5.918 21.807 9.962 1.00 23.16 C ATOM 864 C VAL A 75 -7.104 21.046 9.366 1.00 23.02 C ATOM 865 O VAL A 75 -7.316 19.878 9.675 1.00 22.41 O ATOM 866 CB VAL A 75 -4.604 21.272 9.354 1.00 22.99 C ATOM 867 CG1 VAL A 75 -4.619 21.418 7.838 1.00 23.15 C ATOM 868 CG2 VAL A 75 -3.389 22.001 9.950 1.00 23.17 C ATOM 869 HA VAL A 75 -5.996 22.867 9.720 1.00 0.00 H ATOM 870 HB VAL A 75 -4.522 20.213 9.601 1.00 0.00 H ATOM 871 HG11 VAL A 75 -5.456 20.852 7.428 1.00 0.00 H ATOM 872 HG12 VAL A 75 -4.728 22.471 7.577 1.00 0.00 H ATOM 873 HG13 VAL A 75 -3.684 21.035 7.428 1.00 0.00 H ATOM 874 HG21 VAL A 75 -3.466 23.067 9.737 1.00 0.00 H ATOM 875 HG22 VAL A 75 -3.366 21.845 11.029 1.00 0.00 H ATOM 876 HG23 VAL A 75 -2.476 21.606 9.505 1.00 0.00 H ATOM 877 H VAL A 75 -5.671 20.767 11.840 1.00 0.00 H ATOM 878 N TYR A 76 -7.868 21.725 8.515 1.00 23.31 N ATOM 879 CA TYR A 76 -8.997 21.107 7.818 1.00 24.86 C ATOM 880 C TYR A 76 -8.608 20.752 6.394 1.00 24.94 C ATOM 881 O TYR A 76 -8.084 21.596 5.675 1.00 26.83 O ATOM 882 CB TYR A 76 -10.152 22.078 7.744 1.00 25.58 C ATOM 883 CG TYR A 76 -10.670 22.526 9.069 1.00 26.50 C ATOM 884 CD1 TYR A 76 -11.199 21.613 9.970 1.00 27.26 C ATOM 885 CD2 TYR A 76 -10.652 23.870 9.414 1.00 26.67 C ATOM 886 CE1 TYR A 76 -11.692 22.035 11.193 1.00 28.22 C ATOM 887 CE2 TYR A 76 -11.138 24.298 10.624 1.00 27.02 C ATOM 888 CZ TYR A 76 -11.652 23.385 11.500 1.00 27.42 C ATOM 889 OH TYR A 76 -12.114 23.846 12.690 1.00 28.47 O ATOM 890 HA TYR A 76 -9.281 20.210 8.369 1.00 0.00 H ATOM 891 HB3 TYR A 76 -10.968 21.597 7.204 1.00 0.00 H ATOM 892 HB2 TYR A 76 -9.822 22.958 7.192 1.00 0.00 H ATOM 893 HD2 TYR A 76 -10.245 24.598 8.712 1.00 0.00 H ATOM 894 HE2 TYR A 76 -11.114 25.356 10.883 1.00 0.00 H ATOM 895 HE1 TYR A 76 -12.104 21.317 11.902 1.00 0.00 H ATOM 896 HD1 TYR A 76 -11.227 20.554 9.713 1.00 0.00 H ATOM 897 HH TYR A 76 -11.377 24.291 13.179 1.00 0.00 H ATOM 898 H TYR A 76 -7.656 22.728 8.339 1.00 0.00 H ATOM 899 N CYS A 77 -8.870 19.521 5.974 1.00 25.51 N ATOM 900 CA CYS A 77 -8.457 19.103 4.635 1.00 26.10 C ATOM 901 C CYS A 77 -9.440 18.208 3.866 1.00 26.03 C ATOM 902 O CYS A 77 -9.072 17.670 2.827 1.00 25.66 O ATOM 903 CB CYS A 77 -7.058 18.474 4.700 1.00 25.39 C ATOM 904 SG CYS A 77 -6.808 17.306 6.043 1.00 26.19 S ATOM 905 HA CYS A 77 -8.442 20.018 4.043 1.00 0.00 H ATOM 906 HB2 CYS A 77 -6.331 19.278 4.812 1.00 0.00 H ATOM 907 HB3 CYS A 77 -6.878 17.952 3.760 1.00 0.00 H ATOM 908 HG CYS A 77 -7.704 16.264 5.917 1.00 0.00 H ATOM 909 H CYS A 77 -9.369 18.854 6.597 1.00 0.00 H ATOM 910 N SER A 78 -10.672 18.060 4.361 1.00 28.55 N ATOM 911 CA SER A 78 -11.781 17.480 3.569 1.00 30.02 C ATOM 912 C SER A 78 -11.988 18.234 2.276 1.00 29.27 C ATOM 913 O SER A 78 -12.026 19.470 2.262 1.00 28.15 O ATOM 914 CB SER A 78 -13.104 17.529 4.332 1.00 31.88 C ATOM 915 OG SER A 78 -13.202 16.430 5.208 1.00 37.00 O ATOM 916 HA SER A 78 -11.497 16.447 3.369 1.00 0.00 H ATOM 917 HB2 SER A 78 -13.931 17.499 3.622 1.00 0.00 H ATOM 918 HB3 SER A 78 -13.154 18.454 4.907 1.00 0.00 H ATOM 919 HG SER A 78 -14.063 16.474 5.695 1.00 0.00 H ATOM 920 H SER A 78 -10.859 18.363 5.338 1.00 0.00 H ATOM 921 N ASN A 79 -12.165 17.487 1.193 1.00 30.13 N ATOM 922 CA ASN A 79 -12.290 18.078 -0.146 1.00 30.95 C ATOM 923 C ASN A 79 -11.125 19.003 -0.505 1.00 28.80 C ATOM 924 O ASN A 79 -11.289 20.010 -1.197 1.00 30.59 O ATOM 925 CB ASN A 79 -13.654 18.757 -0.329 1.00 32.95 C ATOM 926 CG ASN A 79 -14.795 17.744 -0.403 1.00 36.19 C ATOM 927 OD1 ASN A 79 -14.742 16.793 -1.195 1.00 38.87 O ATOM 928 ND2 ASN A 79 -15.828 17.932 0.425 1.00 37.69 N ATOM 929 HA ASN A 79 -12.236 17.255 -0.858 1.00 0.00 H ATOM 930 HB2 ASN A 79 -13.831 19.425 0.514 1.00 0.00 H ATOM 931 HB3 ASN A 79 -13.638 19.336 -1.252 1.00 0.00 H ATOM 932 HD22 ASN A 79 -15.833 18.744 1.075 1.00 0.00 H ATOM 933 HD21 ASN A 79 -16.627 17.266 0.419 1.00 0.00 H ATOM 934 H ASN A 79 -12.217 16.453 1.296 1.00 0.00 H ATOM 935 N ASP A 80 -9.941 18.632 -0.031 1.00 25.74 N ATOM 936 CA ASP A 80 -8.701 19.216 -0.502 1.00 24.29 C ATOM 937 C ASP A 80 -7.744 18.085 -0.884 1.00 22.34 C ATOM 938 O ASP A 80 -7.778 17.003 -0.285 1.00 21.11 O ATOM 939 CB ASP A 80 -8.064 20.086 0.584 1.00 24.69 C ATOM 940 CG ASP A 80 -6.959 20.943 0.040 1.00 25.36 C ATOM 941 OD1 ASP A 80 -7.257 22.093 -0.355 1.00 26.76 O ATOM 942 OD2 ASP A 80 -5.812 20.448 -0.052 1.00 25.10 O ATOM 943 HA ASP A 80 -8.906 19.848 -1.366 1.00 0.00 H ATOM 944 HB2 ASP A 80 -8.831 20.731 1.014 1.00 0.00 H ATOM 945 HB3 ASP A 80 -7.658 19.438 1.361 1.00 0.00 H ATOM 946 H ASP A 80 -9.902 17.897 0.704 1.00 0.00 H ATOM 947 N LEU A 81 -6.875 18.349 -1.862 1.00 21.74 N ATOM 948 CA LEU A 81 -5.813 17.410 -2.219 1.00 23.33 C ATOM 949 C LEU A 81 -5.088 16.901 -0.989 1.00 22.81 C ATOM 950 O LEU A 81 -4.798 15.717 -0.897 1.00 22.65 O ATOM 951 CB LEU A 81 -4.798 18.045 -3.156 1.00 24.49 C ATOM 952 CG LEU A 81 -3.642 17.129 -3.575 1.00 25.90 C ATOM 953 CD1 LEU A 81 -4.148 15.831 -4.176 1.00 26.44 C ATOM 954 CD2 LEU A 81 -2.745 17.846 -4.564 1.00 26.84 C ATOM 955 HA LEU A 81 -6.297 16.575 -2.726 1.00 0.00 H ATOM 956 HB2 LEU A 81 -5.322 18.363 -4.057 1.00 0.00 H ATOM 957 HB3 LEU A 81 -4.375 18.917 -2.657 1.00 0.00 H ATOM 958 HG LEU A 81 -3.070 16.881 -2.681 1.00 0.00 H ATOM 959 HD21 LEU A 81 -3.324 18.120 -5.446 1.00 0.00 H ATOM 960 HD22 LEU A 81 -2.341 18.746 -4.100 1.00 0.00 H ATOM 961 HD23 LEU A 81 -1.927 17.187 -4.855 1.00 0.00 H ATOM 962 HD11 LEU A 81 -4.756 15.304 -3.441 1.00 0.00 H ATOM 963 HD12 LEU A 81 -4.751 16.051 -5.057 1.00 0.00 H ATOM 964 HD13 LEU A 81 -3.299 15.209 -4.460 1.00 0.00 H ATOM 965 H LEU A 81 -6.955 19.245 -2.383 1.00 0.00 H ATOM 966 N LEU A 82 -4.833 17.780 -0.024 1.00 22.68 N ATOM 967 CA LEU A 82 -4.102 17.376 1.187 1.00 22.44 C ATOM 968 C LEU A 82 -4.818 16.256 1.937 1.00 22.91 C ATOM 969 O LEU A 82 -4.177 15.331 2.446 1.00 23.70 O ATOM 970 CB LEU A 82 -3.876 18.592 2.102 1.00 22.35 C ATOM 971 CG LEU A 82 -3.071 18.394 3.398 1.00 21.73 C ATOM 972 CD1 LEU A 82 -1.719 17.802 3.095 1.00 21.58 C ATOM 973 CD2 LEU A 82 -2.920 19.696 4.162 1.00 21.45 C ATOM 974 HA LEU A 82 -3.133 16.984 0.876 1.00 0.00 H ATOM 975 HB2 LEU A 82 -3.357 19.347 1.512 1.00 0.00 H ATOM 976 HB3 LEU A 82 -4.859 18.968 2.387 1.00 0.00 H ATOM 977 HG LEU A 82 -3.625 17.699 4.029 1.00 0.00 H ATOM 978 HD21 LEU A 82 -2.399 20.423 3.539 1.00 0.00 H ATOM 979 HD22 LEU A 82 -3.907 20.079 4.423 1.00 0.00 H ATOM 980 HD23 LEU A 82 -2.346 19.518 5.071 1.00 0.00 H ATOM 981 HD11 LEU A 82 -1.848 16.836 2.607 1.00 0.00 H ATOM 982 HD12 LEU A 82 -1.169 18.473 2.435 1.00 0.00 H ATOM 983 HD13 LEU A 82 -1.165 17.670 4.024 1.00 0.00 H ATOM 984 H LEU A 82 -5.154 18.764 -0.127 1.00 0.00 H ATOM 985 N GLY A 83 -6.144 16.335 2.009 1.00 24.03 N ATOM 986 CA GLY A 83 -6.933 15.296 2.651 1.00 25.42 C ATOM 987 C GLY A 83 -6.884 13.974 1.910 1.00 26.45 C ATOM 988 O GLY A 83 -6.764 12.906 2.520 1.00 26.49 O ATOM 989 HA3 GLY A 83 -7.970 15.628 2.702 1.00 0.00 H ATOM 990 HA2 GLY A 83 -6.552 15.143 3.661 1.00 0.00 H ATOM 991 H GLY A 83 -6.627 17.159 1.597 1.00 0.00 H ATOM 992 N ASP A 84 -6.971 14.050 0.587 1.00 28.92 N ATOM 993 CA ASP A 84 -6.857 12.857 -0.259 1.00 30.68 C ATOM 994 C ASP A 84 -5.487 12.174 -0.135 1.00 31.33 C ATOM 995 O ASP A 84 -5.403 10.948 -0.161 1.00 31.32 O ATOM 996 CB ASP A 84 -7.177 13.216 -1.713 1.00 32.83 C ATOM 997 CG ASP A 84 -8.638 13.645 -1.899 1.00 34.12 C ATOM 998 OD1 ASP A 84 -9.526 13.070 -1.235 1.00 37.48 O ATOM 999 OD2 ASP A 84 -8.914 14.564 -2.694 1.00 36.83 O ATOM 1000 HA ASP A 84 -7.588 12.129 0.093 1.00 0.00 H ATOM 1001 HB2 ASP A 84 -6.529 14.036 -2.023 1.00 0.00 H ATOM 1002 HB3 ASP A 84 -6.985 12.345 -2.340 1.00 0.00 H ATOM 1003 H ASP A 84 -7.123 14.977 0.140 1.00 0.00 H ATOM 1004 N LEU A 85 -4.427 12.966 0.018 1.00 30.06 N ATOM 1005 CA LEU A 85 -3.088 12.430 0.230 1.00 29.57 C ATOM 1006 C LEU A 85 -2.900 11.849 1.623 1.00 28.74 C ATOM 1007 O LEU A 85 -2.312 10.781 1.760 1.00 28.45 O ATOM 1008 CB LEU A 85 -2.022 13.505 0.000 1.00 31.25 C ATOM 1009 CG LEU A 85 -1.974 14.091 -1.404 1.00 32.87 C ATOM 1010 CD1 LEU A 85 -0.786 15.024 -1.536 1.00 32.85 C ATOM 1011 CD2 LEU A 85 -1.910 12.985 -2.451 1.00 35.83 C ATOM 1012 HA LEU A 85 -2.972 11.625 -0.496 1.00 0.00 H ATOM 1013 HB2 LEU A 85 -2.211 14.320 0.698 1.00 0.00 H ATOM 1014 HB3 LEU A 85 -1.048 13.064 0.213 1.00 0.00 H ATOM 1015 HG LEU A 85 -2.887 14.661 -1.575 1.00 0.00 H ATOM 1016 HD21 LEU A 85 -1.014 12.385 -2.289 1.00 0.00 H ATOM 1017 HD22 LEU A 85 -2.793 12.352 -2.364 1.00 0.00 H ATOM 1018 HD23 LEU A 85 -1.877 13.430 -3.446 1.00 0.00 H ATOM 1019 HD11 LEU A 85 -0.879 15.833 -0.812 1.00 0.00 H ATOM 1020 HD12 LEU A 85 0.133 14.469 -1.347 1.00 0.00 H ATOM 1021 HD13 LEU A 85 -0.761 15.438 -2.544 1.00 0.00 H ATOM 1022 H LEU A 85 -4.559 13.997 -0.015 1.00 0.00 H ATOM 1023 N PHE A 86 -3.380 12.558 2.642 1.00 26.49 N ATOM 1024 CA PHE A 86 -3.197 12.161 4.041 1.00 26.40 C ATOM 1025 C PHE A 86 -4.206 11.113 4.510 1.00 27.06 C ATOM 1026 O PHE A 86 -3.926 10.381 5.449 1.00 24.42 O ATOM 1027 CB PHE A 86 -3.277 13.393 4.967 1.00 26.43 C ATOM 1028 CG PHE A 86 -1.977 14.168 5.110 1.00 25.87 C ATOM 1029 CD1 PHE A 86 -0.893 13.955 4.266 1.00 25.14 C ATOM 1030 CD2 PHE A 86 -1.860 15.133 6.104 1.00 25.67 C ATOM 1031 CE1 PHE A 86 0.276 14.682 4.418 1.00 24.86 C ATOM 1032 CE2 PHE A 86 -0.697 15.864 6.253 1.00 25.79 C ATOM 1033 CZ PHE A 86 0.371 15.636 5.407 1.00 25.42 C ATOM 1034 HA PHE A 86 -2.207 11.707 4.097 1.00 0.00 H ATOM 1035 HB2 PHE A 86 -4.033 14.069 4.568 1.00 0.00 H ATOM 1036 HB3 PHE A 86 -3.581 13.054 5.957 1.00 0.00 H ATOM 1037 HD2 PHE A 86 -2.699 15.316 6.776 1.00 0.00 H ATOM 1038 HE2 PHE A 86 -0.622 16.619 7.036 1.00 0.00 H ATOM 1039 HZ PHE A 86 1.290 16.211 5.522 1.00 0.00 H ATOM 1040 HE1 PHE A 86 1.121 14.499 3.755 1.00 0.00 H ATOM 1041 HD1 PHE A 86 -0.964 13.208 3.476 1.00 0.00 H ATOM 1042 H PHE A 86 -3.907 13.431 2.437 1.00 0.00 H ATOM 1043 N GLY A 87 -5.374 11.056 3.868 1.00 27.94 N ATOM 1044 CA GLY A 87 -6.397 10.069 4.210 1.00 27.18 C ATOM 1045 C GLY A 87 -7.213 10.448 5.435 1.00 27.25 C ATOM 1046 O GLY A 87 -7.767 9.589 6.084 1.00 28.26 O ATOM 1047 HA3 GLY A 87 -5.907 9.115 4.402 1.00 0.00 H ATOM 1048 HA2 GLY A 87 -7.074 9.964 3.362 1.00 0.00 H ATOM 1049 H GLY A 87 -5.562 11.733 3.102 1.00 0.00 H ATOM 1050 N VAL A 88 -7.274 11.741 5.753 1.00 28.00 N ATOM 1051 CA VAL A 88 -8.017 12.258 6.920 1.00 26.69 C ATOM 1052 C VAL A 88 -8.793 13.517 6.519 1.00 25.53 C ATOM 1053 O VAL A 88 -8.415 14.196 5.566 1.00 24.93 O ATOM 1054 CB VAL A 88 -7.073 12.608 8.103 1.00 27.03 C ATOM 1055 CG1 VAL A 88 -6.395 11.350 8.641 1.00 26.87 C ATOM 1056 CG2 VAL A 88 -6.028 13.643 7.683 1.00 27.16 C ATOM 1057 HA VAL A 88 -8.698 11.473 7.247 1.00 0.00 H ATOM 1058 HB VAL A 88 -7.678 13.042 8.899 1.00 0.00 H ATOM 1059 HG11 VAL A 88 -7.155 10.650 8.990 1.00 0.00 H ATOM 1060 HG12 VAL A 88 -5.810 10.886 7.847 1.00 0.00 H ATOM 1061 HG13 VAL A 88 -5.739 11.618 9.469 1.00 0.00 H ATOM 1062 HG21 VAL A 88 -5.430 13.242 6.865 1.00 0.00 H ATOM 1063 HG22 VAL A 88 -6.531 14.553 7.355 1.00 0.00 H ATOM 1064 HG23 VAL A 88 -5.381 13.869 8.531 1.00 0.00 H ATOM 1065 H VAL A 88 -6.772 12.422 5.148 1.00 0.00 H ATOM 1066 N PRO A 89 -9.891 13.823 7.233 1.00 25.81 N ATOM 1067 CA PRO A 89 -10.629 15.065 7.012 1.00 24.82 C ATOM 1068 C PRO A 89 -10.041 16.269 7.745 1.00 24.17 C ATOM 1069 O PRO A 89 -10.351 17.414 7.412 1.00 24.96 O ATOM 1070 CB PRO A 89 -12.014 14.741 7.575 1.00 25.83 C ATOM 1071 CG PRO A 89 -11.748 13.749 8.653 1.00 25.65 C ATOM 1072 CD PRO A 89 -10.622 12.904 8.130 1.00 25.82 C ATOM 1073 HA PRO A 89 -10.613 15.353 5.961 1.00 0.00 H ATOM 1074 HD3 PRO A 89 -9.982 12.561 8.943 1.00 0.00 H ATOM 1075 HD2 PRO A 89 -11.003 12.043 7.580 1.00 0.00 H ATOM 1076 HG3 PRO A 89 -12.632 13.139 8.840 1.00 0.00 H ATOM 1077 HG2 PRO A 89 -11.455 14.252 9.574 1.00 0.00 H ATOM 1078 HB2 PRO A 89 -12.486 15.636 7.981 1.00 0.00 H ATOM 1079 HB3 PRO A 89 -12.654 14.312 6.804 1.00 0.00 H ATOM 1080 N SER A 90 -9.209 16.007 8.744 1.00 23.61 N ATOM 1081 CA SER A 90 -8.567 17.059 9.524 1.00 24.02 C ATOM 1082 C SER A 90 -7.484 16.425 10.359 1.00 23.31 C ATOM 1083 O SER A 90 -7.487 15.222 10.548 1.00 22.66 O ATOM 1084 CB SER A 90 -9.561 17.701 10.468 1.00 24.08 C ATOM 1085 OG SER A 90 -10.012 16.701 11.365 1.00 25.25 O ATOM 1086 HA SER A 90 -8.169 17.815 8.847 1.00 0.00 H ATOM 1087 HB2 SER A 90 -10.403 18.102 9.904 1.00 0.00 H ATOM 1088 HB3 SER A 90 -9.080 18.507 11.022 1.00 0.00 H ATOM 1089 HG SER A 90 -9.241 16.340 11.870 1.00 0.00 H ATOM 1090 H SER A 90 -9.007 15.015 8.980 1.00 0.00 H ATOM 1091 N PHE A 91 -6.557 17.235 10.847 1.00 25.18 N ATOM 1092 CA PHE A 91 -5.541 16.766 11.818 1.00 25.33 C ATOM 1093 C PHE A 91 -5.068 17.935 12.660 1.00 24.73 C ATOM 1094 O PHE A 91 -5.366 19.097 12.337 1.00 23.72 O ATOM 1095 CB PHE A 91 -4.344 16.080 11.121 1.00 25.91 C ATOM 1096 CG PHE A 91 -3.591 16.966 10.162 1.00 26.21 C ATOM 1097 CD1 PHE A 91 -2.457 17.655 10.574 1.00 26.37 C ATOM 1098 CD2 PHE A 91 -4.002 17.088 8.833 1.00 26.80 C ATOM 1099 CE1 PHE A 91 -1.764 18.469 9.689 1.00 25.73 C ATOM 1100 CE2 PHE A 91 -3.305 17.882 7.944 1.00 26.56 C ATOM 1101 CZ PHE A 91 -2.188 18.581 8.374 1.00 26.04 C ATOM 1102 HA PHE A 91 -6.007 16.017 12.459 1.00 0.00 H ATOM 1103 HB2 PHE A 91 -3.650 15.742 11.890 1.00 0.00 H ATOM 1104 HB3 PHE A 91 -4.719 15.219 10.568 1.00 0.00 H ATOM 1105 HD2 PHE A 91 -4.886 16.549 8.492 1.00 0.00 H ATOM 1106 HE2 PHE A 91 -3.632 17.959 6.907 1.00 0.00 H ATOM 1107 HZ PHE A 91 -1.643 19.219 7.678 1.00 0.00 H ATOM 1108 HE1 PHE A 91 -0.887 19.020 10.028 1.00 0.00 H ATOM 1109 HD1 PHE A 91 -2.108 17.555 11.602 1.00 0.00 H ATOM 1110 H PHE A 91 -6.542 18.229 10.540 1.00 0.00 H ATOM 1111 N SER A 92 -4.359 17.627 13.744 1.00 25.07 N ATOM 1112 CA SER A 92 -3.724 18.659 14.571 1.00 27.81 C ATOM 1113 C SER A 92 -2.242 18.763 14.257 1.00 26.80 C ATOM 1114 O SER A 92 -1.563 17.752 14.148 1.00 27.18 O ATOM 1115 CB SER A 92 -3.887 18.344 16.062 1.00 29.14 C ATOM 1116 OG SER A 92 -3.039 19.199 16.820 1.00 30.53 O ATOM 1117 HA SER A 92 -4.216 19.605 14.343 1.00 0.00 H ATOM 1118 HB2 SER A 92 -3.615 17.305 16.247 1.00 0.00 H ATOM 1119 HB3 SER A 92 -4.924 18.505 16.357 1.00 0.00 H ATOM 1120 HG SER A 92 -3.288 20.142 16.651 1.00 0.00 H ATOM 1121 H SER A 92 -4.252 16.628 14.012 1.00 0.00 H ATOM 1122 N VAL A 93 -1.716 19.973 14.144 1.00 28.39 N ATOM 1123 CA VAL A 93 -0.277 20.124 13.881 1.00 29.29 C ATOM 1124 C VAL A 93 0.566 19.452 14.982 1.00 30.68 C ATOM 1125 O VAL A 93 1.719 19.080 14.760 1.00 29.79 O ATOM 1126 CB VAL A 93 0.154 21.591 13.698 1.00 29.57 C ATOM 1127 CG1 VAL A 93 -0.604 22.235 12.540 1.00 29.97 C ATOM 1128 CG2 VAL A 93 -0.010 22.380 14.984 1.00 29.52 C ATOM 1129 HA VAL A 93 -0.092 19.618 12.934 1.00 0.00 H ATOM 1130 HB VAL A 93 1.215 21.604 13.449 1.00 0.00 H ATOM 1131 HG11 VAL A 93 -0.394 21.688 11.621 1.00 0.00 H ATOM 1132 HG12 VAL A 93 -1.674 22.204 12.746 1.00 0.00 H ATOM 1133 HG13 VAL A 93 -0.284 23.271 12.429 1.00 0.00 H ATOM 1134 HG21 VAL A 93 -1.056 22.361 15.289 1.00 0.00 H ATOM 1135 HG22 VAL A 93 0.606 21.932 15.764 1.00 0.00 H ATOM 1136 HG23 VAL A 93 0.303 23.411 14.819 1.00 0.00 H ATOM 1137 H VAL A 93 -2.319 20.815 14.241 1.00 0.00 H ATOM 1138 N LYS A 94 -0.033 19.258 16.147 1.00 31.63 N ATOM 1139 CA LYS A 94 0.647 18.625 17.260 1.00 32.94 C ATOM 1140 C LYS A 94 0.848 17.114 17.103 1.00 33.59 C ATOM 1141 O LYS A 94 1.636 16.539 17.845 1.00 33.16 O ATOM 1142 CB LYS A 94 -0.092 18.947 18.562 1.00 33.85 C ATOM 1143 CG LYS A 94 -0.273 20.444 18.780 1.00 34.72 C ATOM 1144 CD LYS A 94 -0.058 20.848 20.228 1.00 36.64 C ATOM 1145 HA LYS A 94 1.654 19.041 17.284 1.00 0.00 H ATOM 1146 HB2 LYS A 94 -1.075 18.477 18.531 1.00 0.00 H ATOM 1147 HB3 LYS A 94 0.478 18.539 19.397 1.00 0.00 H ATOM 1148 HG2 LYS A 94 0.444 20.978 18.157 1.00 0.00 H ATOM 1149 HG3 LYS A 94 -1.285 20.721 18.485 1.00 0.00 H ATOM 1150 HD2 LYS A 94 -0.776 20.326 20.860 1.00 0.00 H ATOM 1151 HD3 LYS A 94 0.955 20.583 20.531 1.00 0.00 H ATOM 1152 H LYS A 94 -1.018 19.568 16.267 1.00 0.00 H ATOM 1153 N GLU A 95 0.189 16.475 16.130 1.00 32.24 N ATOM 1154 CA GLU A 95 0.315 15.018 15.958 1.00 33.26 C ATOM 1155 C GLU A 95 1.513 14.660 15.081 1.00 33.51 C ATOM 1156 O GLU A 95 1.354 14.162 13.961 1.00 31.50 O ATOM 1157 CB GLU A 95 -0.957 14.411 15.353 1.00 35.87 C ATOM 1158 CG GLU A 95 -2.251 14.687 16.106 1.00 37.56 C ATOM 1159 CD GLU A 95 -3.469 14.246 15.298 1.00 40.68 C ATOM 1160 OE1 GLU A 95 -4.168 15.097 14.690 1.00 42.57 O ATOM 1161 OE2 GLU A 95 -3.705 13.028 15.235 1.00 40.09 O ATOM 1162 HA GLU A 95 0.467 14.599 16.952 1.00 0.00 H ATOM 1163 HB2 GLU A 95 -1.068 14.806 14.343 1.00 0.00 H ATOM 1164 HB3 GLU A 95 -0.822 13.330 15.306 1.00 0.00 H ATOM 1165 HG2 GLU A 95 -2.235 14.143 17.050 1.00 0.00 H ATOM 1166 HG3 GLU A 95 -2.325 15.756 16.305 1.00 0.00 H ATOM 1167 H GLU A 95 -0.422 17.016 15.485 1.00 0.00 H ATOM 1168 N HIS A 96 2.714 14.852 15.623 1.00 31.91 N ATOM 1169 CA HIS A 96 3.928 14.783 14.829 1.00 30.39 C ATOM 1170 C HIS A 96 4.181 13.419 14.213 1.00 31.23 C ATOM 1171 O HIS A 96 4.441 13.335 13.010 1.00 30.06 O ATOM 1172 CB HIS A 96 5.141 15.215 15.654 1.00 32.19 C ATOM 1173 CG HIS A 96 5.046 16.618 16.163 1.00 32.36 C ATOM 1174 ND1 HIS A 96 5.864 17.111 17.156 1.00 33.76 N ATOM 1175 CD2 HIS A 96 4.213 17.627 15.828 1.00 31.98 C ATOM 1176 CE1 HIS A 96 5.554 18.373 17.394 1.00 32.75 C ATOM 1177 NE2 HIS A 96 4.544 18.707 16.610 1.00 33.19 N ATOM 1178 HA HIS A 96 3.777 15.475 14.001 1.00 0.00 H ATOM 1179 HB2 HIS A 96 5.235 14.543 16.507 1.00 0.00 H ATOM 1180 HB3 HIS A 96 6.030 15.134 15.029 1.00 0.00 H ATOM 1181 HD2 HIS A 96 3.424 17.591 15.076 1.00 0.00 H ATOM 1182 HE1 HIS A 96 6.047 19.027 18.114 1.00 0.00 H ATOM 1183 H HIS A 96 2.784 15.056 16.640 1.00 0.00 H ATOM 1184 N ARG A 97 4.119 12.358 15.022 1.00 31.70 N ATOM 1185 CA ARG A 97 4.368 11.002 14.522 1.00 33.41 C ATOM 1186 C ARG A 97 3.379 10.649 13.397 1.00 32.37 C ATOM 1187 O ARG A 97 3.767 10.081 12.384 1.00 30.78 O ATOM 1188 CB ARG A 97 4.309 9.953 15.649 1.00 35.60 C ATOM 1189 CG ARG A 97 5.618 9.760 16.418 1.00 38.37 C ATOM 1190 CD ARG A 97 5.672 8.428 17.175 1.00 38.90 C ATOM 1191 HA ARG A 97 5.379 10.985 14.116 1.00 0.00 H ATOM 1192 HB2 ARG A 97 3.541 10.261 16.359 1.00 0.00 H ATOM 1193 HB3 ARG A 97 4.031 8.996 15.207 1.00 0.00 H ATOM 1194 HG2 ARG A 97 6.446 9.792 15.710 1.00 0.00 H ATOM 1195 HG3 ARG A 97 5.724 10.573 17.136 1.00 0.00 H ATOM 1196 HD2 ARG A 97 4.854 8.387 17.894 1.00 0.00 H ATOM 1197 HD3 ARG A 97 5.577 7.605 16.467 1.00 0.00 H ATOM 1198 H ARG A 97 3.889 12.496 16.027 1.00 0.00 H ATOM 1199 N LYS A 98 2.114 11.012 13.576 1.00 33.24 N ATOM 1200 CA LYS A 98 1.075 10.741 12.571 1.00 35.45 C ATOM 1201 C LYS A 98 1.364 11.482 11.259 1.00 34.80 C ATOM 1202 O LYS A 98 1.318 10.884 10.183 1.00 35.22 O ATOM 1203 CB LYS A 98 -0.290 11.156 13.112 1.00 39.61 C ATOM 1204 CG LYS A 98 -1.483 10.703 12.284 1.00 44.04 C ATOM 1205 CD LYS A 98 -2.748 11.355 12.830 1.00 48.93 C ATOM 1206 CE LYS A 98 -3.999 10.982 12.043 1.00 54.27 C ATOM 1207 NZ LYS A 98 -5.104 11.965 12.273 1.00 57.30 N ATOM 1208 HA LYS A 98 1.075 9.671 12.363 1.00 0.00 H ATOM 1209 HB2 LYS A 98 -0.397 10.739 14.113 1.00 0.00 H ATOM 1210 HB3 LYS A 98 -0.313 12.244 13.169 1.00 0.00 H ATOM 1211 HG2 LYS A 98 -1.339 10.999 11.245 1.00 0.00 H ATOM 1212 HG3 LYS A 98 -1.577 9.619 12.342 1.00 0.00 H ATOM 1213 HD2 LYS A 98 -2.882 11.040 13.865 1.00 0.00 H ATOM 1214 HD3 LYS A 98 -2.624 12.437 12.794 1.00 0.00 H ATOM 1215 HE2 LYS A 98 -4.333 9.993 12.356 1.00 0.00 H ATOM 1216 HE3 LYS A 98 -3.757 10.963 10.980 1.00 0.00 H ATOM 1217 HZ1 LYS A 98 -5.344 11.984 13.285 1.00 0.00 H ATOM 1218 HZ2 LYS A 98 -4.794 12.911 11.971 1.00 0.00 H ATOM 1219 HZ3 LYS A 98 -5.939 11.681 11.723 1.00 0.00 H ATOM 1220 H LYS A 98 1.850 11.503 14.454 1.00 0.00 H ATOM 1221 N ILE A 99 1.672 12.776 11.359 1.00 31.83 N ATOM 1222 CA ILE A 99 2.001 13.591 10.194 1.00 30.01 C ATOM 1223 C ILE A 99 3.166 12.974 9.429 1.00 31.03 C ATOM 1224 O ILE A 99 3.094 12.823 8.212 1.00 28.72 O ATOM 1225 CB ILE A 99 2.314 15.048 10.585 1.00 29.08 C ATOM 1226 CG1 ILE A 99 1.036 15.738 11.082 1.00 28.84 C ATOM 1227 CG2 ILE A 99 2.898 15.803 9.397 1.00 29.27 C ATOM 1228 CD1 ILE A 99 1.241 17.100 11.714 1.00 28.11 C ATOM 1229 HA ILE A 99 1.126 13.612 9.545 1.00 0.00 H ATOM 1230 HB ILE A 99 3.052 15.049 11.387 1.00 0.00 H ATOM 1231 HG12 ILE A 99 0.365 15.858 10.231 1.00 0.00 H ATOM 1232 HG13 ILE A 99 0.569 15.089 11.823 1.00 0.00 H ATOM 1233 HD11 ILE A 99 1.898 17.003 12.578 1.00 0.00 H ATOM 1234 HD12 ILE A 99 1.694 17.773 10.986 1.00 0.00 H ATOM 1235 HD13 ILE A 99 0.278 17.501 12.031 1.00 0.00 H ATOM 1236 HG21 ILE A 99 3.818 15.316 9.075 1.00 0.00 H ATOM 1237 HG22 ILE A 99 2.179 15.801 8.578 1.00 0.00 H ATOM 1238 HG23 ILE A 99 3.113 16.830 9.691 1.00 0.00 H ATOM 1239 H ILE A 99 1.678 13.219 12.300 1.00 0.00 H ATOM 1240 N TYR A 100 4.220 12.592 10.154 1.00 32.37 N ATOM 1241 CA TYR A 100 5.357 11.889 9.574 1.00 32.24 C ATOM 1242 C TYR A 100 4.917 10.644 8.814 1.00 32.13 C ATOM 1243 O TYR A 100 5.420 10.381 7.729 1.00 34.22 O ATOM 1244 CB TYR A 100 6.367 11.495 10.657 1.00 34.58 C ATOM 1245 CG TYR A 100 7.691 10.965 10.118 1.00 37.45 C ATOM 1246 CD1 TYR A 100 7.875 9.604 9.859 1.00 39.47 C ATOM 1247 CD2 TYR A 100 8.768 11.826 9.885 1.00 38.63 C ATOM 1248 CE1 TYR A 100 9.086 9.121 9.370 1.00 40.20 C ATOM 1249 CE2 TYR A 100 9.977 11.355 9.409 1.00 38.98 C ATOM 1250 CZ TYR A 100 10.132 10.009 9.147 1.00 41.41 C ATOM 1251 OH TYR A 100 11.345 9.560 8.669 1.00 44.65 O ATOM 1252 HA TYR A 100 5.832 12.575 8.872 1.00 0.00 H ATOM 1253 HB3 TYR A 100 5.917 10.721 11.278 1.00 0.00 H ATOM 1254 HB2 TYR A 100 6.574 12.374 11.267 1.00 0.00 H ATOM 1255 HD2 TYR A 100 8.651 12.892 10.083 1.00 0.00 H ATOM 1256 HE2 TYR A 100 10.805 12.044 9.241 1.00 0.00 H ATOM 1257 HE1 TYR A 100 9.212 8.058 9.164 1.00 0.00 H ATOM 1258 HD1 TYR A 100 7.056 8.908 10.043 1.00 0.00 H ATOM 1259 HH TYR A 100 11.545 10.007 7.809 1.00 0.00 H ATOM 1260 H TYR A 100 4.230 12.804 11.172 1.00 0.00 H ATOM 1261 N THR A 101 3.994 9.879 9.388 1.00 31.45 N ATOM 1262 CA THR A 101 3.492 8.676 8.741 1.00 33.25 C ATOM 1263 C THR A 101 2.629 9.015 7.518 1.00 32.15 C ATOM 1264 O THR A 101 2.817 8.426 6.456 1.00 34.05 O ATOM 1265 CB THR A 101 2.692 7.814 9.728 1.00 35.01 C ATOM 1266 OG1 THR A 101 3.554 7.390 10.790 1.00 36.98 O ATOM 1267 CG2 THR A 101 2.097 6.579 9.038 1.00 36.44 C ATOM 1268 HA THR A 101 4.357 8.107 8.401 1.00 0.00 H ATOM 1269 HB THR A 101 1.872 8.416 10.119 1.00 0.00 H ATOM 1270 HG1 THR A 101 3.914 8.184 11.258 1.00 0.00 H ATOM 1271 HG23 THR A 101 1.440 6.898 8.229 1.00 0.00 H ATOM 1272 HG21 THR A 101 2.903 5.967 8.634 1.00 0.00 H ATOM 1273 HG22 THR A 101 1.527 5.999 9.763 1.00 0.00 H ATOM 1274 H THR A 101 3.622 10.146 10.322 1.00 0.00 H ATOM 1275 N MET A 102 1.704 9.963 7.665 1.00 31.00 N ATOM 1276 CA MET A 102 0.860 10.426 6.542 1.00 30.74 C ATOM 1277 C MET A 102 1.694 10.943 5.365 1.00 30.94 C ATOM 1278 O MET A 102 1.375 10.655 4.209 1.00 30.66 O ATOM 1279 CB MET A 102 -0.144 11.486 7.000 1.00 30.30 C ATOM 1280 CG MET A 102 -1.221 10.919 7.914 1.00 30.30 C ATOM 1281 SD MET A 102 -2.502 12.057 8.481 1.00 32.40 S ATOM 1282 CE MET A 102 -1.542 13.369 9.243 1.00 32.09 C ATOM 1283 HA MET A 102 0.304 9.557 6.190 1.00 0.00 H ATOM 1284 HB2 MET A 102 0.394 12.267 7.537 1.00 0.00 H ATOM 1285 HB3 MET A 102 -0.623 11.916 6.120 1.00 0.00 H ATOM 1286 HG2 MET A 102 -0.724 10.517 8.797 1.00 0.00 H ATOM 1287 HG3 MET A 102 -1.715 10.110 7.377 1.00 0.00 H ATOM 1288 HE1 MET A 102 -0.949 12.957 10.059 1.00 0.00 H ATOM 1289 HE2 MET A 102 -0.880 13.812 8.499 1.00 0.00 H ATOM 1290 HE3 MET A 102 -2.216 14.132 9.631 1.00 0.00 H ATOM 1291 H MET A 102 1.571 10.393 8.603 1.00 0.00 H ATOM 1292 N ILE A 103 2.761 11.688 5.660 1.00 31.07 N ATOM 1293 CA ILE A 103 3.688 12.150 4.622 1.00 30.97 C ATOM 1294 C ILE A 103 4.413 10.972 3.997 1.00 31.58 C ATOM 1295 O ILE A 103 4.625 10.943 2.790 1.00 30.84 O ATOM 1296 CB ILE A 103 4.717 13.160 5.165 1.00 29.93 C ATOM 1297 CG1 ILE A 103 4.026 14.490 5.483 1.00 29.85 C ATOM 1298 CG2 ILE A 103 5.839 13.395 4.153 1.00 30.29 C ATOM 1299 CD1 ILE A 103 4.822 15.407 6.391 1.00 29.89 C ATOM 1300 HA ILE A 103 3.089 12.658 3.866 1.00 0.00 H ATOM 1301 HB ILE A 103 5.152 12.747 6.075 1.00 0.00 H ATOM 1302 HG12 ILE A 103 3.844 15.013 4.544 1.00 0.00 H ATOM 1303 HG13 ILE A 103 3.074 14.273 5.967 1.00 0.00 H ATOM 1304 HD11 ILE A 103 5.003 14.906 7.342 1.00 0.00 H ATOM 1305 HD12 ILE A 103 5.774 15.647 5.918 1.00 0.00 H ATOM 1306 HD13 ILE A 103 4.259 16.324 6.563 1.00 0.00 H ATOM 1307 HG21 ILE A 103 6.347 12.452 3.950 1.00 0.00 H ATOM 1308 HG22 ILE A 103 5.416 13.788 3.228 1.00 0.00 H ATOM 1309 HG23 ILE A 103 6.551 14.112 4.562 1.00 0.00 H ATOM 1310 H ILE A 103 2.940 11.948 6.651 1.00 0.00 H ATOM 1311 N TYR A 104 4.790 9.999 4.817 1.00 35.73 N ATOM 1312 CA TYR A 104 5.658 8.915 4.352 1.00 39.76 C ATOM 1313 C TYR A 104 4.981 8.002 3.342 1.00 39.22 C ATOM 1314 O TYR A 104 5.644 7.462 2.453 1.00 37.62 O ATOM 1315 CB TYR A 104 6.208 8.083 5.516 1.00 42.98 C ATOM 1316 CG TYR A 104 7.693 7.962 5.420 1.00 48.22 C ATOM 1317 CD1 TYR A 104 8.507 8.992 5.864 1.00 50.77 C ATOM 1318 CD2 TYR A 104 8.290 6.846 4.836 1.00 53.12 C ATOM 1319 CE1 TYR A 104 9.883 8.911 5.764 1.00 54.91 C ATOM 1320 CE2 TYR A 104 9.670 6.757 4.726 1.00 56.37 C ATOM 1321 CZ TYR A 104 10.462 7.796 5.197 1.00 55.87 C ATOM 1322 OH TYR A 104 11.836 7.737 5.110 1.00 58.54 O ATOM 1323 HA TYR A 104 6.489 9.408 3.847 1.00 0.00 H ATOM 1324 HB3 TYR A 104 5.765 7.088 5.486 1.00 0.00 H ATOM 1325 HB2 TYR A 104 5.948 8.567 6.457 1.00 0.00 H ATOM 1326 HD2 TYR A 104 7.666 6.035 4.462 1.00 0.00 H ATOM 1327 HE2 TYR A 104 10.129 5.878 4.273 1.00 0.00 H ATOM 1328 HE1 TYR A 104 10.508 9.725 6.132 1.00 0.00 H ATOM 1329 HD1 TYR A 104 8.054 9.882 6.300 1.00 0.00 H ATOM 1330 HH TYR A 104 12.226 8.562 5.494 1.00 0.00 H ATOM 1331 H TYR A 104 4.464 10.006 5.805 1.00 0.00 H ATOM 1332 N ARG A 105 3.664 7.856 3.470 1.00 40.86 N ATOM 1333 CA ARG A 105 2.869 7.083 2.524 1.00 42.08 C ATOM 1334 C ARG A 105 2.827 7.729 1.140 1.00 41.06 C ATOM 1335 O ARG A 105 2.352 7.112 0.197 1.00 41.70 O ATOM 1336 CB ARG A 105 1.451 6.885 3.072 1.00 47.83 C ATOM 1337 CG ARG A 105 1.428 6.063 4.360 1.00 52.70 C ATOM 1338 CD ARG A 105 0.065 5.465 4.672 1.00 57.75 C ATOM 1339 NE ARG A 105 -0.587 6.073 5.838 1.00 63.84 N ATOM 1340 CZ ARG A 105 -1.341 7.176 5.817 1.00 69.24 C ATOM 1341 NH1 ARG A 105 -1.552 7.853 4.686 1.00 71.50 N ATOM 1342 NH2 ARG A 105 -1.885 7.619 6.947 1.00 70.81 N ATOM 1343 HA ARG A 105 3.349 6.112 2.405 1.00 0.00 H ATOM 1344 HB2 ARG A 105 1.015 7.863 3.274 1.00 0.00 H ATOM 1345 HB3 ARG A 105 0.854 6.371 2.319 1.00 0.00 H ATOM 1346 HG2 ARG A 105 2.148 5.250 4.264 1.00 0.00 H ATOM 1347 HG3 ARG A 105 1.719 6.709 5.188 1.00 0.00 H ATOM 1348 HD2 ARG A 105 0.191 4.399 4.863 1.00 0.00 H ATOM 1349 HD3 ARG A 105 -0.580 5.604 3.804 1.00 0.00 H ATOM 1350 HE ARG A 105 -0.451 5.606 6.757 1.00 0.00 H ATOM 1351 HH12 ARG A 105 -2.143 8.709 4.695 1.00 0.00 H ATOM 1352 HH11 ARG A 105 -1.126 7.525 3.796 1.00 0.00 H ATOM 1353 HH22 ARG A 105 -2.473 8.477 6.940 1.00 0.00 H ATOM 1354 HH21 ARG A 105 -1.722 7.108 7.838 1.00 0.00 H ATOM 1355 H ARG A 105 3.185 8.310 4.274 1.00 0.00 H ATOM 1356 N ASN A 106 3.326 8.961 1.018 1.00 38.06 N ATOM 1357 CA ASN A 106 3.369 9.672 -0.253 1.00 36.22 C ATOM 1358 C ASN A 106 4.789 9.869 -0.766 1.00 36.89 C ATOM 1359 O ASN A 106 5.022 10.670 -1.658 1.00 36.64 O ATOM 1360 CB ASN A 106 2.683 11.025 -0.089 1.00 35.47 C ATOM 1361 CG ASN A 106 1.198 10.893 0.137 1.00 34.86 C ATOM 1362 OD1 ASN A 106 0.437 10.803 -0.817 1.00 37.22 O ATOM 1363 ND2 ASN A 106 0.774 10.880 1.394 1.00 34.70 N ATOM 1364 HA ASN A 106 2.847 9.064 -0.993 1.00 0.00 H ATOM 1365 HB2 ASN A 106 3.123 11.540 0.765 1.00 0.00 H ATOM 1366 HB3 ASN A 106 2.849 11.614 -0.991 1.00 0.00 H ATOM 1367 HD22 ASN A 106 1.457 10.959 2.174 1.00 0.00 H ATOM 1368 HD21 ASN A 106 -0.242 10.791 1.599 1.00 0.00 H ATOM 1369 H ASN A 106 3.700 9.433 1.866 1.00 0.00 H ATOM 1370 N LEU A 107 5.735 9.127 -0.206 1.00 40.85 N ATOM 1371 CA LEU A 107 7.145 9.295 -0.526 1.00 45.81 C ATOM 1372 C LEU A 107 7.770 8.032 -1.079 1.00 49.95 C ATOM 1373 O LEU A 107 7.137 6.984 -1.157 1.00 49.18 O ATOM 1374 CB LEU A 107 7.936 9.661 0.733 1.00 46.36 C ATOM 1375 CG LEU A 107 7.719 11.031 1.346 1.00 47.11 C ATOM 1376 CD1 LEU A 107 8.733 11.244 2.450 1.00 49.02 C ATOM 1377 CD2 LEU A 107 7.823 12.122 0.297 1.00 48.66 C ATOM 1378 HA LEU A 107 7.189 10.084 -1.277 1.00 0.00 H ATOM 1379 HB2 LEU A 107 7.688 8.923 1.496 1.00 0.00 H ATOM 1380 HB3 LEU A 107 8.994 9.583 0.484 1.00 0.00 H ATOM 1381 HG LEU A 107 6.714 11.081 1.764 1.00 0.00 H ATOM 1382 HD21 LEU A 107 8.814 12.095 -0.156 1.00 0.00 H ATOM 1383 HD22 LEU A 107 7.067 11.959 -0.471 1.00 0.00 H ATOM 1384 HD23 LEU A 107 7.663 13.092 0.767 1.00 0.00 H ATOM 1385 HD11 LEU A 107 8.605 10.475 3.212 1.00 0.00 H ATOM 1386 HD12 LEU A 107 9.739 11.182 2.035 1.00 0.00 H ATOM 1387 HD13 LEU A 107 8.582 12.228 2.895 1.00 0.00 H ATOM 1388 H LEU A 107 5.460 8.400 0.485 1.00 0.00 H ATOM 1389 N VAL A 108 9.024 8.183 -1.493 1.00 55.14 N ATOM 1390 CA VAL A 108 10.006 7.099 -1.498 1.00 57.75 C ATOM 1391 C VAL A 108 11.386 7.727 -1.230 1.00 61.28 C ATOM 1392 O VAL A 108 11.696 8.801 -1.739 1.00 59.94 O ATOM 1393 CB VAL A 108 9.980 6.242 -2.789 1.00 55.98 C ATOM 1394 CG1 VAL A 108 9.227 4.940 -2.551 1.00 56.98 C ATOM 1395 CG2 VAL A 108 9.329 6.983 -3.939 1.00 56.92 C ATOM 1396 HA VAL A 108 9.757 6.385 -0.713 1.00 0.00 H ATOM 1397 HB VAL A 108 11.016 6.028 -3.052 1.00 0.00 H ATOM 1398 HG11 VAL A 108 9.721 4.375 -1.761 1.00 0.00 H ATOM 1399 HG12 VAL A 108 8.203 5.163 -2.253 1.00 0.00 H ATOM 1400 HG13 VAL A 108 9.220 4.353 -3.469 1.00 0.00 H ATOM 1401 HG21 VAL A 108 8.303 7.235 -3.673 1.00 0.00 H ATOM 1402 HG22 VAL A 108 9.887 7.896 -4.144 1.00 0.00 H ATOM 1403 HG23 VAL A 108 9.330 6.349 -4.825 1.00 0.00 H ATOM 1404 H VAL A 108 9.322 9.120 -1.831 1.00 0.00 H ATOM 1405 N VAL A 109 12.185 7.076 -0.388 1.00 69.41 N ATOM 1406 CA VAL A 109 13.526 7.573 -0.033 1.00 74.59 C ATOM 1407 C VAL A 109 14.534 7.344 -1.173 1.00 76.25 C ATOM 1408 O VAL A 109 14.382 6.416 -1.972 1.00 78.33 O ATOM 1409 CB VAL A 109 14.064 6.947 1.282 1.00 76.10 C ATOM 1410 CG1 VAL A 109 13.122 7.237 2.446 1.00 73.97 C ATOM 1411 CG2 VAL A 109 14.307 5.444 1.135 1.00 78.39 C ATOM 1412 HA VAL A 109 13.416 8.645 0.129 1.00 0.00 H ATOM 1413 HB VAL A 109 15.026 7.412 1.497 1.00 0.00 H ATOM 1414 HG11 VAL A 109 13.034 8.315 2.580 1.00 0.00 H ATOM 1415 HG12 VAL A 109 12.140 6.815 2.231 1.00 0.00 H ATOM 1416 HG13 VAL A 109 13.521 6.788 3.355 1.00 0.00 H ATOM 1417 HG21 VAL A 109 13.371 4.949 0.877 1.00 0.00 H ATOM 1418 HG22 VAL A 109 15.040 5.271 0.347 1.00 0.00 H ATOM 1419 HG23 VAL A 109 14.683 5.044 2.077 1.00 0.00 H ATOM 1420 H VAL A 109 11.851 6.186 0.034 1.00 0.00 H ATOM 1421 N VAL A 110 15.554 8.197 -1.240 1.00 74.22 N ATOM 1422 CA VAL A 110 16.533 8.162 -2.326 1.00 75.98 C ATOM 1423 C VAL A 110 17.932 8.529 -1.825 1.00 77.01 C ATOM 1424 O VAL A 110 18.691 7.669 -1.375 1.00 79.01 O ATOM 1425 CB VAL A 110 16.136 9.123 -3.474 1.00 75.63 C ATOM 1426 CG1 VAL A 110 14.826 8.688 -4.121 1.00 74.82 C ATOM 1427 CG2 VAL A 110 16.034 10.562 -2.979 1.00 75.55 C ATOM 1428 HA VAL A 110 16.547 7.140 -2.706 1.00 0.00 H ATOM 1429 HB VAL A 110 16.923 9.079 -4.227 1.00 0.00 H ATOM 1430 HG11 VAL A 110 14.939 7.683 -4.528 1.00 0.00 H ATOM 1431 HG12 VAL A 110 14.034 8.690 -3.372 1.00 0.00 H ATOM 1432 HG13 VAL A 110 14.571 9.380 -4.924 1.00 0.00 H ATOM 1433 HG21 VAL A 110 15.278 10.623 -2.197 1.00 0.00 H ATOM 1434 HG22 VAL A 110 16.998 10.877 -2.579 1.00 0.00 H ATOM 1435 HG23 VAL A 110 15.754 11.211 -3.809 1.00 0.00 H ATOM 1436 H VAL A 110 15.658 8.914 -0.494 1.00 0.00 H TER 1437 VAL A 110 HETATM 1438 O HOH 1 8.164 27.494 8.005 1.00 22.99 O HETATM 1439 O HOH 2 -10.363 16.909 -3.235 1.00 35.78 O HETATM 1440 O HOH 3 15.911 23.764 -5.093 1.00 30.31 O HETATM 1441 O HOH 4 12.098 25.970 -4.369 1.00 30.34 O HETATM 1442 O HOH 5 11.452 23.247 -11.132 1.00 37.22 O HETATM 1443 O HOH 6 12.956 17.435 -13.664 1.00 2.00 O HETATM 1444 O HOH 7 -12.068 21.328 4.010 1.00 25.03 O HETATM 1445 O HOH 8 -5.913 23.365 -4.019 1.00 37.71 O HETATM 1446 O HOH 9 -13.443 17.828 -3.414 1.00 36.02 O HETATM 1447 O HOH 10 -15.942 18.454 3.022 1.00 39.03 O HETATM 1448 O HOH 11 -18.435 17.405 1.375 1.00 50.40 O HETATM 1449 O HOH 12 12.628 23.419 -3.719 1.00 31.12 O HETATM 1450 O HOH 13 12.098 25.970 -4.369 1.00 30.34 O HETATM 1451 O HOH 14 14.338 24.077 -1.539 1.00 38.19 O HETATM 1452 O HOH 15 -9.567 22.068 3.235 1.00 31.84 O HETATM 1453 O HOH 16 10.935 22.465 8.354 1.00 29.00 O HETATM 1454 O HOH 17 12.408 22.817 12.388 1.00 43.98 O HETATM 1455 O HOH 18 12.098 25.970 -4.369 1.00 30.34 O HETATM 1456 O HOH 19 -11.689 26.804 9.270 1.00 27.65 O HETATM 1457 O HOH 20 -9.582 27.033 7.578 1.00 31.01 O HETATM 1458 O HOH 21 -7.208 29.897 8.064 1.00 38.20 O HETATM 1459 O HOH 22 16.438 20.261 5.605 1.00 32.42 O HETATM 1460 O HOH 23 17.057 24.042 1.263 1.00 35.36 O HETATM 1461 O HOH 24 18.541 18.475 0.334 1.00 29.94 O HETATM 1462 O HOH 25 17.008 22.997 -1.104 1.00 30.16 O HETATM 1463 O HOH 26 13.128 24.545 0.837 1.00 58.92 O HETATM 1464 O HOH 27 1.993 21.861 -8.955 1.00 33.30 O HETATM 1465 O HOH 28 12.924 10.135 5.113 1.00 48.92 O HETATM 1466 O HOH 29 15.015 14.228 6.035 1.00 56.36 O HETATM 1467 O HOH 30 9.558 13.378 -6.517 1.00 40.31 O HETATM 1468 O HOH 31 9.655 14.691 -7.890 1.00 34.68 O HETATM 1469 O HOH 32 15.465 17.117 -8.005 1.00 48.62 O HETATM 1470 O HOH 33 12.244 19.364 -10.369 1.00 37.93 O HETATM 1471 O HOH 34 10.384 12.841 -9.433 1.00 44.13 O HETATM 1472 O HOH 35 3.478 12.454 17.856 1.00 38.04 O HETATM 1473 O HOH 36 1.500 11.488 -3.388 1.00 37.88 O HETATM 1474 O HOH 37 3.709 21.316 16.307 1.00 40.35 O HETATM 1475 O HOH 38 18.541 18.475 0.334 1.00 29.94 O HETATM 1476 O HOH 39 -9.536 28.381 2.331 1.00 35.73 O HETATM 1477 O HOH 40 19.492 10.486 1.701 1.00 44.11 O HETATM 1478 O HOH 41 21.812 11.942 6.024 1.00 54.34 O HETATM 1479 O HOH 42 -5.443 32.615 13.313 1.00 48.25 O HETATM 1480 O HOH 43 3.772 15.614 -9.886 1.00 43.52 O HETATM 1481 O HOH 44 7.450 25.555 -8.512 1.00 46.12 O HETATM 1482 O HOH 45 9.672 10.606 -11.414 1.00 4.90 O HETATM 1483 O HOH 46 -3.601 7.918 2.395 1.00 62.94 O HETATM 1484 O HOH 47 13.399 11.019 7.816 1.00 56.55 O HETATM 1485 O HOH 48 6.857 27.947 13.870 1.00 35.50 O HETATM 1486 O HOH 49 8.164 27.494 8.005 1.00 22.99 O HETATM 1487 O HOH 50 9.698 25.153 8.733 1.00 24.41 O HETATM 1488 O HOH 51 8.391 22.963 11.814 1.00 33.01 O HETATM 1489 O HOH 52 3.057 20.849 14.461 1.00 30.07 O HETATM 1490 O HOH 53 10.922 16.209 17.161 1.00 39.80 O HETATM 1491 O HOH 54 14.426 16.307 16.874 1.00 32.18 O HETATM 1492 O HOH 55 14.887 21.853 13.557 1.00 48.73 O HETATM 1493 O HOH 56 10.883 18.841 12.327 1.00 49.58 O HETATM 1494 O HOH 57 10.149 19.037 15.169 1.00 55.01 O HETATM 1495 O HOH 58 15.084 17.545 -10.602 1.00 32.52 O HETATM 1496 O HOH 59 8.883 20.378 12.424 1.00 6.29 O HETATM 1497 O HOH 60 15.134 16.702 7.452 1.00 41.42 O HETATM 1498 O HOH 61 3.412 20.527 -10.970 1.00 44.63 O HETATM 1499 O HOH 62 4.965 18.237 -10.086 1.00 41.52 O HETATM 1500 O HOH 63 12.408 22.817 12.388 1.00 43.98 O HETATM 1501 O HOH 64 18.029 18.391 7.110 1.00 52.75 O HETATM 1502 O HOH 65 2.251 22.862 18.294 1.00 55.39 O HETATM 1503 O HOH 66 10.095 21.759 14.396 1.00 71.46 O HETATM 1504 O HOH 67 10.547 21.324 10.854 1.00 50.17 O HETATM 1505 O HOH 68 12.408 22.817 12.388 1.00 43.98 O HETATM 1506 O HOH 69 12.368 22.695 15.338 1.00 42.54 O HETATM 1507 O HOH 70 0.962 10.346 -6.208 1.00 28.22 O HETATM 1508 O HOH 71 -1.438 26.018 -3.822 1.00 34.39 O HETATM 1509 O HOH 72 7.818 9.712 -8.249 1.00 46.82 O HETATM 1510 O HOH 73 -12.252 25.779 16.696 1.00 57.66 O HETATM 1511 O HOH 74 8.379 8.776 -5.713 1.00 45.24 O HETATM 1512 O HOH 75 0.890 11.510 16.330 1.00 39.64 O HETATM 1513 O HOH 76 -0.612 26.259 14.985 1.00 44.72 O HETATM 1514 O HOH 77 6.057 8.428 12.567 1.00 50.95 O HETATM 1515 O HOH 78 -7.366 35.515 4.458 1.00 50.22 O HETATM 1516 O HOH 79 0.775 27.941 -7.950 1.00 56.21 O HETATM 1517 O HOH 80 -10.609 22.373 -3.503 1.00 62.31 O HETATM 1518 O HOH 81 -0.306 7.660 -6.350 1.00 58.36 O HETATM 1519 O HOH 82 6.183 13.292 -10.621 1.00 44.89 O HETATM 1520 O HOH 83 18.221 20.455 10.759 1.00 71.87 O HETATM 1521 O HOH 84 22.226 14.778 2.084 1.00 41.45 O HETATM 1522 O HOH 85 17.319 13.730 8.774 1.00 59.13 O HETATM 1523 O HOH 86 7.080 12.136 -8.391 1.00 43.32 O HETATM 1524 CAL UNN A 87 4.896 19.793 12.762 1.00 -0.06 C HETATM 1525 CAJ UNN A 87 4.742 18.478 12.344 1.00 -0.07 C HETATM 1526 CAI UNN A 87 5.682 17.513 12.688 1.00 -0.07 C HETATM 1527 CAK UNN A 87 6.786 17.881 13.448 1.00 -0.07 C HETATM 1528 CAM UNN A 87 6.944 19.212 13.861 1.00 -0.06 C HETATM 1529 CBB UNN A 87 6.003 20.192 13.524 1.00 -0.02 C HETATM 1530 CAQ UNN A 87 6.218 21.502 13.958 1.00 0.06 C HETATM 1531 NAU UNN A 87 5.759 22.434 12.900 1.00 -0.27 N HETATM 1532 CAZ UNN A 87 4.640 23.181 13.045 1.00 0.23 C HETATM 1533 OAE UNN A 87 3.859 23.033 13.967 1.00 -0.39 O HETATM 1534 CBI UNN A 87 4.126 24.007 11.912 1.00 0.09 C HETATM 1535 N UNN A 87 3.199 25.013 12.280 1.00 0.27 N HETATM 1536 CA UNN A 87 3.077 26.228 11.420 1.00 0.07 C HETATM 1537 CB UNN A 87 1.646 26.728 11.377 1.00 0.01 C HETATM 1538 CG UNN A 87 0.718 25.709 10.681 1.00 -0.04 C HETATM 1539 CD2 UNN A 87 -0.693 26.326 10.662 1.00 -0.06 C HETATM 1540 H16 UNN A 87 -1.391 25.631 10.173 1.00 0.02 H HETATM 1541 H17 UNN A 87 -0.671 27.275 10.106 1.00 0.02 H HETATM 1542 H18 UNN A 87 -1.025 26.513 11.694 1.00 0.02 H HETATM 1543 CD1 UNN A 87 1.166 25.419 9.253 1.00 -0.06 C HETATM 1544 H19 UNN A 87 2.174 24.978 9.267 1.00 0.02 H HETATM 1545 H20 UNN A 87 1.184 26.356 8.677 1.00 0.02 H HETATM 1546 H21 UNN A 87 0.464 24.713 8.785 1.00 0.02 H HETATM 1547 H15 UNN A 87 0.710 24.769 11.252 1.00 0.03 H HETATM 1548 H13 UNN A 87 1.615 27.678 10.823 1.00 0.03 H HETATM 1549 H14 UNN A 87 1.292 26.891 12.406 1.00 0.03 H HETATM 1550 C UNN A 87 3.892 27.457 11.928 1.00 0.25 C HETATM 1551 O UNN A 87 4.450 28.261 11.170 1.00 -0.39 O HETATM 1552 NAT UNN A 87 3.901 27.721 13.205 1.00 -0.16 N HETATM 1553 OAG UNN A 87 4.717 29.039 13.471 1.00 -0.27 O HETATM 1554 H23 UNN A 87 5.610 28.924 13.167 1.00 0.25 H HETATM 1555 H22 UNN A 87 3.456 27.168 13.909 1.00 0.22 H HETATM 1556 H12 UNN A 87 3.413 25.962 10.407 1.00 0.11 H HETATM 1557 H10 UNN A 87 3.454 25.328 13.203 1.00 0.21 H HETATM 1558 H11 UNN A 87 2.289 24.580 12.312 1.00 0.21 H HETATM 1559 CBD UNN A 87 4.421 23.534 10.498 1.00 0.05 C HETATM 1560 CBF UNN A 87 3.657 22.524 10.064 1.00 -0.00 C HETATM 1561 CAO UNN A 87 2.651 21.848 10.664 1.00 -0.07 C HETATM 1562 CAN UNN A 87 1.986 20.816 9.993 1.00 -0.06 C HETATM 1563 CBA UNN A 87 2.395 20.515 8.697 1.00 0.03 C HETATM 1564 CLH UNN A 87 1.609 19.233 7.799 1.00 -0.08 CL HETATM 1565 CAP UNN A 87 3.453 21.236 8.138 1.00 -0.03 C HETATM 1566 CBE UNN A 87 4.056 22.228 8.823 1.00 0.07 C HETATM 1567 NAW UNN A 87 5.059 23.064 8.514 1.00 -0.28 N HETATM 1568 CBC UNN A 87 5.308 23.860 9.554 1.00 0.14 C HETATM 1569 CAX UNN A 87 6.262 24.824 9.492 1.00 0.24 C HETATM 1570 OAC UNN A 87 6.993 24.924 8.500 1.00 -0.39 O HETATM 1571 NAS UNN A 87 6.326 25.736 10.453 1.00 -0.16 N HETATM 1572 OAF UNN A 87 7.243 26.679 10.256 1.00 -0.27 O HETATM 1573 H29 UNN A 87 7.053 27.140 9.448 1.00 0.25 H HETATM 1574 H28 UNN A 87 5.734 25.716 11.259 1.00 0.22 H HETATM 1575 H27 UNN A 87 5.559 23.087 7.614 1.00 0.22 H HETATM 1576 H26 UNN A 87 3.794 20.994 7.138 1.00 0.06 H HETATM 1577 H25 UNN A 87 1.179 20.269 10.467 1.00 0.05 H HETATM 1578 H24 UNN A 87 2.357 22.108 11.674 1.00 0.06 H HETATM 1579 H9 UNN A 87 4.977 24.704 11.911 1.00 0.12 H HETATM 1580 H8 UNN A 87 6.291 22.513 12.057 1.00 0.19 H HETATM 1581 H6 UNN A 87 7.290 21.658 14.149 1.00 0.07 H HETATM 1582 H7 UNN A 87 5.651 21.683 14.883 1.00 0.07 H HETATM 1583 H5 UNN A 87 7.810 19.487 14.452 1.00 0.06 H HETATM 1584 H4 UNN A 87 7.526 17.138 13.722 1.00 0.06 H HETATM 1585 H3 UNN A 87 5.555 16.485 12.367 1.00 0.06 H HETATM 1586 H2 UNN A 87 3.882 18.201 11.745 1.00 0.06 H HETATM 1587 H1 UNN A 87 4.144 20.527 12.493 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1524 1525 1529 1587 CONECT 1525 1524 1526 1586 CONECT 1526 1525 1527 1585 CONECT 1527 1526 1528 1584 CONECT 1528 1527 1529 1583 CONECT 1529 1524 1528 1530 CONECT 1530 1529 1531 1581 1582 CONECT 1531 1530 1532 1580 CONECT 1532 1531 1533 1534 CONECT 1533 1532 CONECT 1534 1532 1535 1559 1579 CONECT 1535 1534 1536 1557 1558 CONECT 1536 1535 1537 1550 1556 CONECT 1537 1536 1538 1548 1549 CONECT 1538 1537 1539 1543 1547 CONECT 1539 1538 1540 1541 1542 CONECT 1540 1539 CONECT 1541 1539 CONECT 1542 1539 CONECT 1543 1538 1544 1545 1546 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1543 CONECT 1547 1538 CONECT 1548 1537 CONECT 1549 1537 CONECT 1550 1536 1551 1552 CONECT 1551 1550 CONECT 1552 1550 1553 1555 CONECT 1553 1552 1554 CONECT 1554 1553 CONECT 1555 1552 CONECT 1556 1536 CONECT 1557 1535 CONECT 1558 1535 CONECT 1559 1534 1560 1568 CONECT 1560 1559 1561 1566 CONECT 1561 1560 1562 1578 CONECT 1562 1561 1563 1577 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 1576 CONECT 1566 1560 1565 1567 CONECT 1567 1566 1568 1575 CONECT 1568 1559 1567 1569 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1574 CONECT 1572 1571 1573 CONECT 1573 1572 CONECT 1574 1571 CONECT 1575 1567 CONECT 1576 1565 CONECT 1577 1562 CONECT 1578 1561 CONECT 1579 1534 CONECT 1580 1531 CONECT 1581 1530 CONECT 1582 1530 CONECT 1583 1528 CONECT 1584 1527 CONECT 1585 1526 CONECT 1586 1525 CONECT 1587 1524 MASTER 0 0 0 0 0 0 0 0 1586 1 68 7 END
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Protein Sequence Similarity
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RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4mdq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
28W
EC.Number
E.C.6.3.2
Resolution
2.12(Å)
Affinity (Kd/Ki/IC50)
Ki=1.2uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 2143-2151
Ligand Properties
Formula
C
2
4
H
2
9
ClN
5
O
5
Molecular Weight
502.971
Exact Mass
502.186
No. of atoms
64
No. of bonds
66
Polar Surface Area
160.16
LOGP Value
2.79 (
Computed with XLOGP3
)
2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
ONC(=O)c1[nH]c2c(c1[C@H](C(=O)NCc1ccccc1)[NH2+][C@H](C(=O)NO)CC(C)C)ccc(c2)Cl
InChI String
InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/p+1/t18-,20+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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