Browse entries in the PDBbind-CN Database
HEADER 5JUR_COMPLEX COMPND 5JUR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 SER SER PHE SER PHE GLY GLY PHE THR PHE LYS ARG THR SEQRES 2 A 95 SER GLY SER SER ILE LYS ARG GLU GLU GLU VAL LEU THR SEQRES 3 A 95 GLY ASN LEU GLN THR LEU LYS ILE ARG VAL HIS GLU GLY SEQRES 4 A 95 TYR GLU GLU PHE THR MET VAL GLY LYS ARG ALA THR ALA SEQRES 5 A 95 ILE LEU ARG LYS ALA THR ARG ARG LEU VAL GLN LEU ILE SEQRES 6 A 95 VAL SER GLY LYS ASP GLU GLN SER ILE ALA GLU ALA ILE SEQRES 7 A 95 ILE VAL ALA MET VAL PHE SER GLN GLU ASP CYS MET ILE SEQRES 8 A 95 LYS ALA VAL ARG SEQRES 1 A 55 ASN PRO MET HIS GLN LEU LEU ARG HIS PHE GLN LYS ASP SEQRES 2 A 55 ALA LYS VAL LEU PHE GLN ASN TRP GLY ILE GLU HIS ILE SEQRES 3 A 55 ASP ASN VAL MET GLY MET VAL GLY VAL LEU PRO ASP MET SEQRES 4 A 55 THR PRO SER THR GLU MET SER MET ARG GLY ILE ARG VAL SEQRES 5 A 55 SER LYS MET HET UNN A 157 45 ATOM 1 N SER A 21 -58.489 3.252 2.981 1.00 94.35 N ATOM 2 CA SER A 21 -58.057 1.956 3.539 1.00 91.36 C ATOM 3 C SER A 21 -56.566 1.964 4.011 1.00 90.69 C ATOM 4 O SER A 21 -55.587 1.629 3.300 1.00 85.88 O ATOM 5 CB SER A 21 -58.367 0.793 2.598 1.00 93.72 C ATOM 6 OG SER A 21 -57.927 1.066 1.280 1.00 97.87 O ATOM 7 HG SER A 21 -56.948 1.216 1.284 1.00 0.00 H ATOM 8 HN3 SER A 21 -57.897 3.489 2.159 1.00 0.00 H ATOM 9 HN2 SER A 21 -58.389 3.991 3.706 1.00 0.00 H ATOM 10 HN1 SER A 21 -59.484 3.186 2.686 1.00 0.00 H ATOM 11 N SER A 22 -56.443 2.386 5.258 1.00 86.66 N ATOM 12 CA SER A 22 -55.197 2.557 5.971 1.00 81.23 C ATOM 13 C SER A 22 -54.750 1.274 6.669 1.00 81.69 C ATOM 14 O SER A 22 -55.586 0.432 7.010 1.00 84.37 O ATOM 15 CB SER A 22 -55.369 3.678 6.988 1.00 86.46 C ATOM 16 OG SER A 22 -54.477 3.548 8.077 1.00 92.78 O ATOM 17 HG SER A 22 -54.622 4.294 8.712 1.00 0.00 H ATOM 18 H SER A 22 -57.319 2.615 5.770 1.00 0.00 H ATOM 19 N PHE A 23 -53.422 1.136 6.895 1.00 72.10 N ATOM 20 CA PHE A 23 -52.814 0.017 7.625 1.00 68.07 C ATOM 21 C PHE A 23 -51.545 0.437 8.370 1.00 68.13 C ATOM 22 O PHE A 23 -50.992 1.510 8.096 1.00 65.28 O ATOM 23 CB PHE A 23 -52.593 -1.211 6.739 1.00 67.85 C ATOM 24 CG PHE A 23 -51.550 -1.055 5.675 1.00 65.78 C ATOM 25 CD1 PHE A 23 -51.851 -0.424 4.470 1.00 68.56 C ATOM 26 CD2 PHE A 23 -50.251 -1.534 5.876 1.00 63.92 C ATOM 27 CE1 PHE A 23 -50.880 -0.291 3.476 1.00 67.15 C ATOM 28 CE2 PHE A 23 -49.272 -1.369 4.894 1.00 63.94 C ATOM 29 CZ PHE A 23 -49.602 -0.765 3.696 1.00 63.25 C ATOM 30 H PHE A 23 -52.789 1.874 6.526 1.00 0.00 H ATOM 31 N SER A 24 -51.092 -0.414 9.316 1.00 63.62 N ATOM 32 CA SER A 24 -49.946 -0.111 10.170 1.00 60.50 C ATOM 33 C SER A 24 -48.751 -1.024 9.926 1.00 60.68 C ATOM 34 O SER A 24 -48.932 -2.232 9.774 1.00 62.09 O ATOM 35 CB SER A 24 -50.376 -0.192 11.628 1.00 64.80 C ATOM 36 OG SER A 24 -49.387 0.366 12.469 1.00 74.33 O ATOM 37 HG SER A 24 -49.684 0.304 13.411 1.00 0.00 H ATOM 38 H SER A 24 -51.580 -1.324 9.442 1.00 0.00 H ATOM 39 N PHE A 25 -47.526 -0.473 9.906 1.00 52.14 N ATOM 40 CA PHE A 25 -46.315 -1.293 9.763 1.00 48.66 C ATOM 41 C PHE A 25 -45.080 -0.575 10.258 1.00 55.97 C ATOM 42 O PHE A 25 -44.779 0.507 9.777 1.00 57.59 O ATOM 43 CB PHE A 25 -46.119 -1.744 8.340 1.00 48.67 C ATOM 44 CG PHE A 25 -44.892 -2.561 8.078 1.00 47.97 C ATOM 45 CD1 PHE A 25 -44.682 -3.760 8.738 1.00 50.27 C ATOM 46 CD2 PHE A 25 -43.997 -2.191 7.092 1.00 50.07 C ATOM 47 CE1 PHE A 25 -43.554 -4.535 8.476 1.00 49.72 C ATOM 48 CE2 PHE A 25 -42.870 -2.967 6.825 1.00 51.26 C ATOM 49 CZ PHE A 25 -42.648 -4.131 7.531 1.00 48.30 C ATOM 50 H PHE A 25 -47.432 0.559 9.994 1.00 0.00 H ATOM 51 N GLY A 26 -44.394 -1.157 11.239 1.00 52.20 N ATOM 52 CA GLY A 26 -43.182 -0.602 11.832 1.00 49.38 C ATOM 53 C GLY A 26 -43.346 0.759 12.473 1.00 52.48 C ATOM 54 O GLY A 26 -42.433 1.587 12.392 1.00 54.02 O ATOM 55 H GLY A 26 -44.744 -2.065 11.606 1.00 0.00 H ATOM 56 N GLY A 27 -44.506 1.010 13.077 1.00 47.26 N ATOM 57 CA GLY A 27 -44.788 2.289 13.733 1.00 47.32 C ATOM 58 C GLY A 27 -45.315 3.380 12.813 1.00 51.29 C ATOM 59 O GLY A 27 -45.539 4.515 13.251 1.00 50.37 O ATOM 60 H GLY A 27 -45.238 0.271 13.083 1.00 0.00 H ATOM 61 N PHE A 28 -45.525 3.042 11.524 1.00 48.50 N ATOM 62 CA PHE A 28 -46.039 3.983 10.540 1.00 49.04 C ATOM 63 C PHE A 28 -47.430 3.597 10.053 1.00 59.17 C ATOM 64 O PHE A 28 -47.724 2.415 9.824 1.00 61.71 O ATOM 65 CB PHE A 28 -45.093 4.058 9.337 1.00 47.91 C ATOM 66 CG PHE A 28 -43.777 4.713 9.652 1.00 46.30 C ATOM 67 CD1 PHE A 28 -43.648 6.099 9.612 1.00 47.54 C ATOM 68 CD2 PHE A 28 -42.657 3.945 9.980 1.00 44.62 C ATOM 69 CE1 PHE A 28 -42.431 6.709 9.921 1.00 47.88 C ATOM 70 CE2 PHE A 28 -41.454 4.555 10.327 1.00 43.36 C ATOM 71 CZ PHE A 28 -41.360 5.933 10.326 1.00 43.58 C ATOM 72 H PHE A 28 -45.311 2.070 11.221 1.00 0.00 H ATOM 73 N THR A 29 -48.274 4.609 9.870 1.00 56.11 N ATOM 74 CA THR A 29 -49.587 4.418 9.282 1.00 57.78 C ATOM 75 C THR A 29 -49.384 4.626 7.786 1.00 63.01 C ATOM 76 O THR A 29 -48.910 5.683 7.353 1.00 64.43 O ATOM 77 CB THR A 29 -50.606 5.396 9.868 1.00 52.47 C ATOM 78 OG1 THR A 29 -50.684 5.199 11.291 1.00 47.72 O ATOM 79 CG2 THR A 29 -51.967 5.220 9.259 1.00 42.36 C ATOM 80 HG1 THR A 29 -51.343 5.830 11.675 1.00 0.00 H ATOM 81 H THR A 29 -47.984 5.566 10.157 1.00 0.00 H ATOM 82 N PHE A 30 -49.699 3.607 7.009 1.00 57.70 N ATOM 83 CA PHE A 30 -49.605 3.668 5.561 1.00 56.73 C ATOM 84 C PHE A 30 -51.006 3.881 5.028 1.00 66.93 C ATOM 85 O PHE A 30 -51.962 3.293 5.544 1.00 69.82 O ATOM 86 CB PHE A 30 -49.083 2.345 5.005 1.00 55.39 C ATOM 87 CG PHE A 30 -47.608 2.080 5.133 1.00 52.81 C ATOM 88 CD1 PHE A 30 -47.038 1.790 6.372 1.00 53.35 C ATOM 89 CD2 PHE A 30 -46.794 2.047 4.008 1.00 52.97 C ATOM 90 CE1 PHE A 30 -45.667 1.551 6.485 1.00 51.06 C ATOM 91 CE2 PHE A 30 -45.426 1.787 4.119 1.00 52.30 C ATOM 92 CZ PHE A 30 -44.870 1.567 5.358 1.00 48.90 C ATOM 93 H PHE A 30 -50.028 2.725 7.451 1.00 0.00 H ATOM 94 N LYS A 31 -51.132 4.720 4.005 1.00 64.45 N ATOM 95 CA LYS A 31 -52.387 4.965 3.326 1.00 68.40 C ATOM 96 C LYS A 31 -52.036 4.950 1.867 1.00 73.70 C ATOM 97 O LYS A 31 -51.117 5.671 1.437 1.00 72.25 O ATOM 98 CB LYS A 31 -53.029 6.318 3.731 1.00 73.31 C ATOM 99 H LYS A 31 -50.286 5.227 3.675 1.00 0.00 H ATOM 100 N ARG A 32 -52.734 4.102 1.100 1.00 71.73 N ATOM 101 CA ARG A 32 -52.500 4.072 -0.333 1.00 71.78 C ATOM 102 C ARG A 32 -53.186 5.287 -0.940 1.00 82.44 C ATOM 103 O ARG A 32 -54.380 5.511 -0.701 1.00 87.10 O ATOM 104 CB ARG A 32 -53.012 2.786 -0.943 1.00 67.09 C ATOM 105 CG ARG A 32 -52.573 2.622 -2.375 1.00 65.02 C ATOM 106 CD ARG A 32 -52.675 1.196 -2.812 1.00 67.86 C ATOM 107 NE ARG A 32 -54.064 0.732 -2.894 1.00 80.90 N ATOM 108 CZ ARG A 32 -54.418 -0.549 -2.997 1.00 92.10 C ATOM 109 NH1 ARG A 32 -53.493 -1.502 -3.019 1.00 63.77 N ATOM 110 NH2 ARG A 32 -55.699 -0.886 -3.078 1.00 88.29 N ATOM 111 HE ARG A 32 -54.819 1.447 -2.870 1.00 0.00 H ATOM 112 HH12 ARG A 32 -53.776 -2.500 -3.100 1.00 0.00 H ATOM 113 HH11 ARG A 32 -52.486 -1.251 -2.956 1.00 0.00 H ATOM 114 HH22 ARG A 32 -55.969 -1.887 -3.158 1.00 0.00 H ATOM 115 HH21 ARG A 32 -56.433 -0.149 -3.061 1.00 0.00 H ATOM 116 H ARG A 32 -53.439 3.469 1.528 1.00 0.00 H ATOM 117 N THR A 33 -52.420 6.097 -1.672 1.00 78.48 N ATOM 118 CA THR A 33 -52.958 7.296 -2.298 1.00 82.84 C ATOM 119 C THR A 33 -53.251 7.038 -3.762 1.00 90.94 C ATOM 120 O THR A 33 -54.150 7.662 -4.313 1.00 97.30 O ATOM 121 CB THR A 33 -52.075 8.529 -2.033 1.00 82.85 C ATOM 122 OG1 THR A 33 -50.723 8.251 -2.366 1.00 81.72 O ATOM 123 CG2 THR A 33 -52.122 8.957 -0.604 1.00 73.79 C ATOM 124 HG1 THR A 33 -50.397 7.496 -1.815 1.00 0.00 H ATOM 125 H THR A 33 -51.414 5.866 -1.799 1.00 0.00 H ATOM 126 N SER A 34 -52.506 6.112 -4.387 1.00 84.04 N ATOM 127 CA SER A 34 -52.679 5.753 -5.801 1.00 86.59 C ATOM 128 C SER A 34 -52.294 4.294 -6.066 1.00 88.15 C ATOM 129 O SER A 34 -51.571 3.670 -5.279 1.00 84.85 O ATOM 130 CB SER A 34 -51.866 6.692 -6.694 1.00 90.89 C ATOM 131 OG SER A 34 -51.991 6.371 -8.070 1.00102.40 O ATOM 132 HG SER A 34 -51.449 7.003 -8.606 1.00 0.00 H ATOM 133 H SER A 34 -51.768 5.623 -3.841 1.00 0.00 H ATOM 134 N GLY A 35 -52.770 3.767 -7.176 1.00 87.15 N ATOM 135 CA GLY A 35 -52.468 2.410 -7.604 1.00 84.87 C ATOM 136 C GLY A 35 -53.201 1.299 -6.896 1.00 85.88 C ATOM 137 O GLY A 35 -54.168 1.542 -6.165 1.00 87.06 O ATOM 138 H GLY A 35 -53.391 4.349 -7.774 1.00 0.00 H ATOM 139 N SER A 36 -52.749 0.063 -7.159 1.00 79.47 N ATOM 140 CA SER A 36 -53.296 -1.163 -6.578 1.00 78.05 C ATOM 141 C SER A 36 -52.318 -2.302 -6.738 1.00 80.07 C ATOM 142 O SER A 36 -51.423 -2.248 -7.588 1.00 82.67 O ATOM 143 CB SER A 36 -54.601 -1.549 -7.259 1.00 85.20 C ATOM 144 OG SER A 36 -54.326 -1.888 -8.609 1.00 94.80 O ATOM 145 HG SER A 36 -53.694 -2.650 -8.635 1.00 0.00 H ATOM 146 H SER A 36 -51.954 -0.030 -7.823 1.00 0.00 H ATOM 147 N SER A 37 -52.516 -3.351 -5.942 1.00 71.11 N ATOM 148 CA SER A 37 -51.704 -4.535 -6.016 1.00 66.86 C ATOM 149 C SER A 37 -52.543 -5.780 -5.795 1.00 70.67 C ATOM 150 O SER A 37 -53.633 -5.724 -5.212 1.00 71.79 O ATOM 151 CB SER A 37 -50.587 -4.482 -4.982 1.00 66.34 C ATOM 152 OG SER A 37 -51.081 -4.526 -3.652 1.00 78.10 O ATOM 153 HG SER A 37 -51.679 -3.752 -3.498 1.00 0.00 H ATOM 154 H SER A 37 -53.285 -3.312 -5.243 1.00 0.00 H ATOM 155 N ILE A 38 -52.039 -6.900 -6.303 1.00 65.66 N ATOM 156 CA ILE A 38 -52.559 -8.224 -6.047 1.00 64.79 C ATOM 157 C ILE A 38 -51.434 -8.931 -5.322 1.00 64.51 C ATOM 158 O ILE A 38 -50.285 -8.474 -5.384 1.00 62.99 O ATOM 159 CB ILE A 38 -53.071 -8.963 -7.301 1.00 71.24 C ATOM 160 CG1 ILE A 38 -52.026 -9.044 -8.404 1.00 70.00 C ATOM 161 CG2 ILE A 38 -54.379 -8.335 -7.829 1.00 77.49 C ATOM 162 CD1 ILE A 38 -51.334 -10.321 -8.454 1.00 62.28 C ATOM 163 H ILE A 38 -51.212 -6.818 -6.929 1.00 0.00 H ATOM 164 N LYS A 39 -51.742 -9.978 -4.573 1.00 59.21 N ATOM 165 CA LYS A 39 -50.691 -10.674 -3.835 1.00 54.58 C ATOM 166 C LYS A 39 -50.364 -11.997 -4.464 1.00 58.00 C ATOM 167 O LYS A 39 -51.232 -12.647 -5.045 1.00 60.63 O ATOM 168 CB LYS A 39 -51.117 -10.928 -2.394 1.00 56.25 C ATOM 169 CG LYS A 39 -51.147 -9.707 -1.523 1.00 72.13 C ATOM 170 CD LYS A 39 -52.299 -9.782 -0.530 1.00 84.49 C ATOM 171 CE LYS A 39 -53.625 -9.490 -1.219 1.00104.77 C ATOM 172 NZ LYS A 39 -54.768 -9.410 -0.269 1.00120.68 N ATOM 173 HZ1 LYS A 39 -54.864 -10.316 0.233 1.00 0.00 H ATOM 174 HZ2 LYS A 39 -54.594 -8.649 0.418 1.00 0.00 H ATOM 175 HZ3 LYS A 39 -55.642 -9.209 -0.796 1.00 0.00 H ATOM 176 H LYS A 39 -52.728 -10.304 -4.510 1.00 0.00 H ATOM 177 N ARG A 40 -49.126 -12.419 -4.309 1.00 52.08 N ATOM 178 CA ARG A 40 -48.667 -13.720 -4.758 1.00 51.75 C ATOM 179 C ARG A 40 -47.693 -14.212 -3.700 1.00 58.22 C ATOM 180 O ARG A 40 -46.729 -13.510 -3.371 1.00 57.03 O ATOM 181 CB ARG A 40 -47.998 -13.634 -6.138 1.00 49.06 C ATOM 182 CG ARG A 40 -47.520 -14.969 -6.640 1.00 62.25 C ATOM 183 CD ARG A 40 -46.719 -14.940 -7.931 1.00 72.35 C ATOM 184 NE ARG A 40 -46.311 -16.302 -8.301 1.00 86.68 N ATOM 185 CZ ARG A 40 -45.919 -16.666 -9.520 1.00109.75 C ATOM 186 NH1 ARG A 40 -45.823 -15.766 -10.489 1.00 99.29 N ATOM 187 NH2 ARG A 40 -45.595 -17.932 -9.771 1.00 95.58 N ATOM 188 HE ARG A 40 -46.330 -17.032 -7.560 1.00 0.00 H ATOM 189 HH12 ARG A 40 -45.516 -16.056 -11.439 1.00 0.00 H ATOM 190 HH11 ARG A 40 -46.054 -14.770 -10.299 1.00 0.00 H ATOM 191 HH22 ARG A 40 -45.289 -18.211 -10.725 1.00 0.00 H ATOM 192 HH21 ARG A 40 -45.647 -18.642 -9.013 1.00 0.00 H ATOM 193 H ARG A 40 -48.444 -11.788 -3.842 1.00 0.00 H ATOM 194 N GLU A 41 -47.960 -15.401 -3.139 1.00 57.94 N ATOM 195 CA GLU A 41 -47.048 -16.009 -2.173 1.00 56.42 C ATOM 196 C GLU A 41 -45.820 -16.468 -2.979 1.00 61.18 C ATOM 197 O GLU A 41 -45.959 -17.173 -3.993 1.00 62.13 O ATOM 198 CB GLU A 41 -47.705 -17.170 -1.415 1.00 59.05 C ATOM 199 H GLU A 41 -48.835 -15.901 -3.397 1.00 0.00 H ATOM 200 N GLU A 42 -44.644 -15.980 -2.578 1.00 56.17 N ATOM 201 CA GLU A 42 -43.394 -16.274 -3.257 1.00 56.72 C ATOM 202 C GLU A 42 -42.265 -16.657 -2.334 1.00 62.21 C ATOM 203 O GLU A 42 -42.151 -16.122 -1.233 1.00 58.73 O ATOM 204 CB GLU A 42 -42.916 -15.059 -4.014 1.00 57.83 C ATOM 205 CG GLU A 42 -43.700 -14.771 -5.256 1.00 76.01 C ATOM 206 CD GLU A 42 -43.020 -13.725 -6.101 1.00 98.70 C ATOM 207 OE1 GLU A 42 -43.594 -13.389 -7.162 1.00100.50 O ATOM 208 OE2 GLU A 42 -41.917 -13.258 -5.720 1.00 73.84 O ATOM 209 H GLU A 42 -44.622 -15.362 -1.742 1.00 0.00 H ATOM 210 N GLU A 43 -41.365 -17.511 -2.848 1.00 62.63 N ATOM 211 CA GLU A 43 -40.156 -17.906 -2.149 1.00 61.75 C ATOM 212 C GLU A 43 -38.967 -17.037 -2.633 1.00 66.76 C ATOM 213 O GLU A 43 -38.750 -16.883 -3.842 1.00 69.35 O ATOM 214 CB GLU A 43 -39.914 -19.412 -2.284 1.00 63.88 C ATOM 215 CG GLU A 43 -41.085 -20.225 -1.748 1.00 71.05 C ATOM 216 CD GLU A 43 -40.848 -21.719 -1.650 1.00112.24 C ATOM 217 OE1 GLU A 43 -39.672 -22.128 -1.530 1.00102.52 O ATOM 218 OE2 GLU A 43 -41.834 -22.489 -1.710 1.00129.88 O ATOM 219 H GLU A 43 -41.543 -17.908 -3.792 1.00 0.00 H ATOM 220 N VAL A 44 -38.236 -16.435 -1.670 1.00 58.92 N ATOM 221 CA VAL A 44 -37.087 -15.564 -1.941 1.00 57.07 C ATOM 222 C VAL A 44 -35.835 -16.079 -1.242 1.00 58.48 C ATOM 223 O VAL A 44 -35.964 -16.730 -0.204 1.00 56.75 O ATOM 224 CB VAL A 44 -37.371 -14.077 -1.585 1.00 57.44 C ATOM 225 CG1 VAL A 44 -38.493 -13.510 -2.443 1.00 57.28 C ATOM 226 CG2 VAL A 44 -37.671 -13.898 -0.106 1.00 54.71 C ATOM 227 H VAL A 44 -38.503 -16.598 -0.678 1.00 0.00 H ATOM 228 N LEU A 45 -34.636 -15.785 -1.794 1.00 54.47 N ATOM 229 CA LEU A 45 -33.394 -16.202 -1.156 1.00 54.11 C ATOM 230 C LEU A 45 -32.668 -15.042 -0.478 1.00 55.05 C ATOM 231 O LEU A 45 -32.359 -14.049 -1.129 1.00 54.47 O ATOM 232 CB LEU A 45 -32.448 -16.869 -2.156 1.00 56.45 C ATOM 233 CG LEU A 45 -32.712 -18.293 -2.545 1.00 61.82 C ATOM 234 CD1 LEU A 45 -31.750 -18.712 -3.603 1.00 64.92 C ATOM 235 CD2 LEU A 45 -32.529 -19.229 -1.393 1.00 64.40 C ATOM 236 H LEU A 45 -34.600 -15.253 -2.687 1.00 0.00 H ATOM 237 N THR A 46 -32.326 -15.204 0.803 1.00 50.18 N ATOM 238 CA THR A 46 -31.551 -14.191 1.522 1.00 50.35 C ATOM 239 C THR A 46 -30.049 -14.268 1.091 1.00 57.58 C ATOM 240 O THR A 46 -29.676 -15.162 0.323 1.00 60.67 O ATOM 241 CB THR A 46 -31.662 -14.423 3.047 1.00 53.20 C ATOM 242 OG1 THR A 46 -30.959 -15.618 3.395 1.00 55.65 O ATOM 243 CG2 THR A 46 -33.076 -14.512 3.523 1.00 48.69 C ATOM 244 HG1 THR A 46 -31.029 -15.768 4.371 1.00 0.00 H ATOM 245 H THR A 46 -32.617 -16.069 1.301 1.00 0.00 H ATOM 246 N GLY A 47 -29.216 -13.375 1.644 1.00 50.37 N ATOM 247 CA GLY A 47 -27.775 -13.404 1.495 1.00 51.95 C ATOM 248 C GLY A 47 -27.164 -14.667 2.068 1.00 59.59 C ATOM 249 O GLY A 47 -26.081 -15.058 1.615 1.00 64.45 O ATOM 250 H GLY A 47 -29.631 -12.612 2.217 1.00 0.00 H ATOM 251 N ASN A 48 -27.843 -15.345 3.058 1.00 55.62 N ATOM 252 CA ASN A 48 -27.345 -16.644 3.596 1.00 58.53 C ATOM 253 C ASN A 48 -27.921 -17.811 2.838 1.00 62.14 C ATOM 254 O ASN A 48 -27.784 -18.942 3.287 1.00 63.12 O ATOM 255 CB ASN A 48 -27.603 -16.840 5.093 1.00 58.07 C ATOM 256 CG ASN A 48 -26.709 -16.036 5.979 1.00 97.33 C ATOM 257 OD1 ASN A 48 -25.557 -15.752 5.650 1.00 96.24 O ATOM 258 ND2 ASN A 48 -27.234 -15.619 7.123 1.00 95.87 N ATOM 259 HD22 ASN A 48 -28.211 -15.876 7.371 1.00 0.00 H ATOM 260 HD21 ASN A 48 -26.669 -15.034 7.772 1.00 0.00 H ATOM 261 H ASN A 48 -28.723 -14.941 3.438 1.00 0.00 H ATOM 262 N LEU A 49 -28.595 -17.543 1.700 1.00 56.19 N ATOM 263 CA LEU A 49 -29.213 -18.571 0.855 1.00 55.05 C ATOM 264 C LEU A 49 -30.318 -19.345 1.600 1.00 55.19 C ATOM 265 O LEU A 49 -30.578 -20.526 1.350 1.00 51.86 O ATOM 266 CB LEU A 49 -28.152 -19.511 0.211 1.00 58.81 C ATOM 267 CG LEU A 49 -27.263 -18.914 -0.874 1.00 64.46 C ATOM 268 CD1 LEU A 49 -26.320 -19.938 -1.402 1.00 67.52 C ATOM 269 CD2 LEU A 49 -28.094 -18.341 -2.023 1.00 68.29 C ATOM 270 H LEU A 49 -28.681 -16.550 1.405 1.00 0.00 H ATOM 271 N GLN A 50 -30.990 -18.639 2.506 1.00 53.71 N ATOM 272 CA GLN A 50 -32.165 -19.151 3.208 1.00 52.72 C ATOM 273 C GLN A 50 -33.432 -18.773 2.400 1.00 57.01 C ATOM 274 O GLN A 50 -33.596 -17.619 1.938 1.00 52.12 O ATOM 275 CB GLN A 50 -32.262 -18.559 4.607 1.00 52.34 C ATOM 276 CG GLN A 50 -33.297 -19.233 5.472 1.00 70.78 C ATOM 277 CD GLN A 50 -33.682 -18.405 6.658 1.00 88.94 C ATOM 278 OE1 GLN A 50 -33.088 -17.359 6.939 1.00 84.66 O ATOM 279 NE2 GLN A 50 -34.708 -18.849 7.367 1.00 81.00 N ATOM 280 HE22 GLN A 50 -35.182 -19.735 7.098 1.00 0.00 H ATOM 281 HE21 GLN A 50 -35.040 -18.312 8.193 1.00 0.00 H ATOM 282 H GLN A 50 -30.663 -17.676 2.725 1.00 0.00 H ATOM 283 N THR A 51 -34.320 -19.768 2.234 1.00 57.04 N ATOM 284 CA THR A 51 -35.607 -19.547 1.597 1.00 55.97 C ATOM 285 C THR A 51 -36.640 -19.023 2.604 1.00 60.70 C ATOM 286 O THR A 51 -36.877 -19.642 3.649 1.00 63.00 O ATOM 287 CB THR A 51 -36.136 -20.818 0.963 1.00 61.45 C ATOM 288 OG1 THR A 51 -35.125 -21.456 0.161 1.00 60.39 O ATOM 289 CG2 THR A 51 -37.415 -20.562 0.182 1.00 55.86 C ATOM 290 HG1 THR A 51 -35.496 -22.281 -0.240 1.00 0.00 H ATOM 291 H THR A 51 -34.079 -20.722 2.571 1.00 0.00 H ATOM 292 N LEU A 52 -37.248 -17.897 2.277 1.00 55.30 N ATOM 293 CA LEU A 52 -38.366 -17.316 3.013 1.00 54.40 C ATOM 294 C LEU A 52 -39.574 -17.292 2.069 1.00 56.83 C ATOM 295 O LEU A 52 -39.443 -16.972 0.895 1.00 55.93 O ATOM 296 CB LEU A 52 -38.104 -15.852 3.437 1.00 53.43 C ATOM 297 CG LEU A 52 -36.837 -15.513 4.210 1.00 59.60 C ATOM 298 CD1 LEU A 52 -36.732 -14.038 4.414 1.00 58.42 C ATOM 299 CD2 LEU A 52 -36.810 -16.179 5.559 1.00 63.76 C ATOM 300 H LEU A 52 -36.906 -17.389 1.436 1.00 0.00 H ATOM 301 N LYS A 53 -40.735 -17.586 2.577 1.00 53.87 N ATOM 302 CA LYS A 53 -41.940 -17.425 1.808 1.00 55.13 C ATOM 303 C LYS A 53 -42.551 -16.078 2.240 1.00 57.79 C ATOM 304 O LYS A 53 -42.825 -15.892 3.414 1.00 58.67 O ATOM 305 CB LYS A 53 -42.911 -18.598 2.035 1.00 61.40 C ATOM 306 CG LYS A 53 -44.307 -18.417 1.410 1.00 87.88 C ATOM 307 CD LYS A 53 -44.739 -19.636 0.578 1.00106.02 C ATOM 308 CE LYS A 53 -44.620 -20.971 1.275 1.00120.66 C ATOM 309 NZ LYS A 53 -44.978 -22.101 0.369 1.00125.84 N ATOM 310 HZ1 LYS A 53 -45.960 -21.987 0.045 1.00 0.00 H ATOM 311 HZ2 LYS A 53 -44.339 -22.102 -0.452 1.00 0.00 H ATOM 312 HZ3 LYS A 53 -44.884 -23.000 0.884 1.00 0.00 H ATOM 313 H LYS A 53 -40.793 -17.942 3.552 1.00 0.00 H ATOM 314 N ILE A 54 -42.731 -15.139 1.314 1.00 52.68 N ATOM 315 CA ILE A 54 -43.347 -13.835 1.601 1.00 51.35 C ATOM 316 C ILE A 54 -44.521 -13.596 0.663 1.00 56.62 C ATOM 317 O ILE A 54 -44.551 -14.111 -0.451 1.00 57.52 O ATOM 318 CB ILE A 54 -42.351 -12.637 1.563 1.00 52.80 C ATOM 319 CG1 ILE A 54 -41.802 -12.413 0.165 1.00 53.61 C ATOM 320 CG2 ILE A 54 -41.227 -12.815 2.576 1.00 54.23 C ATOM 321 CD1 ILE A 54 -40.994 -11.162 0.013 1.00 63.31 C ATOM 322 H ILE A 54 -42.421 -15.337 0.341 1.00 0.00 H ATOM 323 N ARG A 55 -45.473 -12.795 1.102 1.00 53.46 N ATOM 324 CA ARG A 55 -46.624 -12.440 0.285 1.00 54.25 C ATOM 325 C ARG A 55 -46.223 -11.197 -0.558 1.00 54.93 C ATOM 326 O ARG A 55 -46.128 -10.078 -0.042 1.00 51.80 O ATOM 327 CB ARG A 55 -47.823 -12.198 1.208 1.00 56.00 C ATOM 328 CG ARG A 55 -49.154 -12.174 0.520 1.00 82.24 C ATOM 329 CD ARG A 55 -50.283 -12.291 1.529 1.00110.14 C ATOM 330 NE ARG A 55 -50.533 -13.692 1.873 1.00129.66 N ATOM 331 CZ ARG A 55 -51.705 -14.175 2.269 1.00146.81 C ATOM 332 NH1 ARG A 55 -52.753 -13.369 2.401 1.00127.99 N ATOM 333 NH2 ARG A 55 -51.839 -15.466 2.542 1.00140.14 N ATOM 334 HE ARG A 55 -49.736 -14.356 1.802 1.00 0.00 H ATOM 335 HH12 ARG A 55 -53.668 -13.753 2.711 1.00 0.00 H ATOM 336 HH11 ARG A 55 -52.658 -12.354 2.194 1.00 0.00 H ATOM 337 HH22 ARG A 55 -52.759 -15.839 2.852 1.00 0.00 H ATOM 338 HH21 ARG A 55 -51.024 -16.105 2.446 1.00 0.00 H ATOM 339 H ARG A 55 -45.399 -12.405 2.063 1.00 0.00 H ATOM 340 N VAL A 56 -45.907 -11.417 -1.833 1.00 51.61 N ATOM 341 CA VAL A 56 -45.461 -10.355 -2.719 1.00 51.11 C ATOM 342 C VAL A 56 -46.621 -9.560 -3.303 1.00 59.46 C ATOM 343 O VAL A 56 -47.582 -10.129 -3.855 1.00 60.31 O ATOM 344 CB VAL A 56 -44.509 -10.857 -3.810 1.00 54.91 C ATOM 345 CG1 VAL A 56 -44.300 -9.800 -4.880 1.00 55.88 C ATOM 346 CG2 VAL A 56 -43.170 -11.256 -3.211 1.00 53.16 C ATOM 347 H VAL A 56 -45.982 -12.384 -2.208 1.00 0.00 H ATOM 348 N HIS A 57 -46.506 -8.216 -3.196 1.00 55.38 N ATOM 349 CA HIS A 57 -47.491 -7.323 -3.755 1.00 55.77 C ATOM 350 C HIS A 57 -47.062 -6.925 -5.158 1.00 61.28 C ATOM 351 O HIS A 57 -45.972 -6.395 -5.383 1.00 61.88 O ATOM 352 CB HIS A 57 -47.739 -6.133 -2.838 1.00 54.60 C ATOM 353 CG HIS A 57 -48.482 -6.504 -1.599 1.00 57.11 C ATOM 354 ND1 HIS A 57 -49.822 -6.202 -1.437 1.00 61.50 N ATOM 355 CD2 HIS A 57 -48.052 -7.165 -0.503 1.00 56.91 C ATOM 356 CE1 HIS A 57 -50.158 -6.677 -0.245 1.00 60.50 C ATOM 357 NE2 HIS A 57 -49.126 -7.273 0.347 1.00 57.93 N ATOM 358 H HIS A 57 -45.685 -7.816 -2.697 1.00 0.00 H ATOM 359 N GLU A 58 -47.929 -7.199 -6.108 1.00 57.66 N ATOM 360 CA GLU A 58 -47.637 -6.931 -7.497 1.00 58.88 C ATOM 361 C GLU A 58 -48.405 -5.744 -7.993 1.00 63.30 C ATOM 362 O GLU A 58 -49.623 -5.728 -7.922 1.00 64.81 O ATOM 363 CB GLU A 58 -47.911 -8.188 -8.351 1.00 61.85 C ATOM 364 CG GLU A 58 -47.183 -9.438 -7.868 1.00 56.40 C ATOM 365 CD GLU A 58 -47.298 -10.603 -8.816 1.00 69.66 C ATOM 366 OE1 GLU A 58 -48.241 -10.637 -9.635 1.00 83.86 O ATOM 367 OE2 GLU A 58 -46.429 -11.492 -8.745 1.00 72.35 O ATOM 368 H GLU A 58 -48.846 -7.618 -5.853 1.00 0.00 H ATOM 369 N GLY A 59 -47.693 -4.759 -8.500 1.00 60.36 N ATOM 370 CA GLY A 59 -48.319 -3.556 -9.023 1.00 64.33 C ATOM 371 C GLY A 59 -47.625 -2.283 -8.604 1.00 72.85 C ATOM 372 O GLY A 59 -46.683 -2.293 -7.806 1.00 70.16 O ATOM 373 H GLY A 59 -46.657 -4.844 -8.527 1.00 0.00 H ATOM 374 N TYR A 60 -48.077 -1.170 -9.154 1.00 76.38 N ATOM 375 CA TYR A 60 -47.499 0.121 -8.819 1.00 75.46 C ATOM 376 C TYR A 60 -48.416 0.833 -7.854 1.00 78.01 C ATOM 377 O TYR A 60 -49.614 0.990 -8.124 1.00 79.28 O ATOM 378 CB TYR A 60 -47.194 0.943 -10.083 1.00 80.38 C ATOM 379 CG TYR A 60 -46.634 2.306 -9.763 1.00 82.66 C ATOM 380 CD1 TYR A 60 -45.302 2.466 -9.386 1.00 81.21 C ATOM 381 CD2 TYR A 60 -47.450 3.435 -9.769 1.00 87.49 C ATOM 382 CE1 TYR A 60 -44.803 3.721 -9.008 1.00 82.42 C ATOM 383 CE2 TYR A 60 -46.956 4.693 -9.416 1.00 86.90 C ATOM 384 CZ TYR A 60 -45.632 4.835 -9.049 1.00 88.69 C ATOM 385 OH TYR A 60 -45.168 6.075 -8.697 1.00 88.34 O ATOM 386 HH TYR A 60 -45.679 6.408 -7.917 1.00 0.00 H ATOM 387 H TYR A 60 -48.859 -1.218 -9.838 1.00 0.00 H ATOM 388 N GLU A 61 -47.846 1.243 -6.710 1.00 72.23 N ATOM 389 CA GLU A 61 -48.586 1.915 -5.646 1.00 71.35 C ATOM 390 C GLU A 61 -47.854 3.121 -5.106 1.00 75.12 C ATOM 391 O GLU A 61 -46.620 3.178 -5.145 1.00 72.39 O ATOM 392 CB GLU A 61 -48.852 0.932 -4.507 1.00 69.25 C ATOM 393 CG GLU A 61 -49.831 -0.172 -4.840 1.00 81.78 C ATOM 394 CD GLU A 61 -49.740 -1.335 -3.881 1.00 94.73 C ATOM 395 OE1 GLU A 61 -48.627 -1.891 -3.736 1.00 72.63 O ATOM 396 OE2 GLU A 61 -50.784 -1.715 -3.303 1.00 91.77 O ATOM 397 H GLU A 61 -46.829 1.074 -6.575 1.00 0.00 H ATOM 398 N GLU A 62 -48.616 4.086 -4.581 1.00 73.97 N ATOM 399 CA GLU A 62 -48.042 5.258 -3.921 1.00 72.68 C ATOM 400 C GLU A 62 -48.691 5.376 -2.561 1.00 74.77 C ATOM 401 O GLU A 62 -49.922 5.261 -2.446 1.00 76.59 O ATOM 402 CB GLU A 62 -48.229 6.534 -4.739 1.00 78.28 C ATOM 403 CG GLU A 62 -47.506 6.539 -6.085 1.00 86.72 C ATOM 404 CD GLU A 62 -47.723 7.783 -6.921 1.00 99.05 C ATOM 405 OE1 GLU A 62 -48.530 8.659 -6.526 1.00 90.76 O ATOM 406 OE2 GLU A 62 -47.064 7.885 -7.978 1.00 95.47 O ATOM 407 H GLU A 62 -49.651 4.000 -4.644 1.00 0.00 H ATOM 408 N PHE A 63 -47.867 5.574 -1.524 1.00 66.95 N ATOM 409 CA PHE A 63 -48.334 5.661 -0.149 1.00 64.06 C ATOM 410 C PHE A 63 -47.863 6.876 0.551 1.00 69.21 C ATOM 411 O PHE A 63 -46.834 7.445 0.194 1.00 69.90 O ATOM 412 CB PHE A 63 -47.768 4.490 0.648 1.00 61.25 C ATOM 413 CG PHE A 63 -48.217 3.147 0.172 1.00 61.63 C ATOM 414 CD1 PHE A 63 -47.527 2.483 -0.826 1.00 63.08 C ATOM 415 CD2 PHE A 63 -49.326 2.535 0.734 1.00 64.51 C ATOM 416 CE1 PHE A 63 -47.928 1.216 -1.241 1.00 64.69 C ATOM 417 CE2 PHE A 63 -49.751 1.288 0.293 1.00 67.17 C ATOM 418 CZ PHE A 63 -49.048 0.637 -0.692 1.00 64.38 C ATOM 419 H PHE A 63 -46.848 5.670 -1.710 1.00 0.00 H ATOM 420 N THR A 64 -48.570 7.230 1.621 1.00 65.82 N ATOM 421 CA THR A 64 -48.054 8.178 2.590 1.00 64.23 C ATOM 422 C THR A 64 -47.658 7.274 3.754 1.00 64.52 C ATOM 423 O THR A 64 -48.303 6.254 4.012 1.00 64.04 O ATOM 424 CB THR A 64 -49.047 9.262 3.042 1.00 72.58 C ATOM 425 OG1 THR A 64 -50.204 8.672 3.638 1.00 74.78 O ATOM 426 CG2 THR A 64 -49.419 10.204 1.935 1.00 73.98 C ATOM 427 HG1 THR A 64 -49.932 8.138 4.426 1.00 0.00 H ATOM 428 H THR A 64 -49.514 6.818 1.766 1.00 0.00 H ATOM 429 N MET A 65 -46.584 7.628 4.434 1.00 59.08 N ATOM 430 CA MET A 65 -46.142 6.953 5.656 1.00 56.08 C ATOM 431 C MET A 65 -46.168 7.986 6.742 1.00 60.51 C ATOM 432 O MET A 65 -45.445 8.979 6.641 1.00 63.52 O ATOM 433 CB MET A 65 -44.736 6.415 5.517 1.00 55.31 C ATOM 434 CG MET A 65 -44.638 5.224 4.588 1.00 57.37 C ATOM 435 SD MET A 65 -42.933 4.675 4.480 1.00 57.95 S ATOM 436 CE MET A 65 -42.552 4.360 6.222 1.00 52.00 C ATOM 437 H MET A 65 -46.021 8.429 4.083 1.00 0.00 H ATOM 438 N VAL A 66 -47.059 7.825 7.718 1.00 53.60 N ATOM 439 CA VAL A 66 -47.156 8.798 8.775 1.00 54.12 C ATOM 440 C VAL A 66 -46.753 8.144 10.063 1.00 57.78 C ATOM 441 O VAL A 66 -47.402 7.184 10.495 1.00 59.21 O ATOM 442 CB VAL A 66 -48.555 9.469 8.865 1.00 61.18 C ATOM 443 CG1 VAL A 66 -48.678 10.365 10.102 1.00 61.33 C ATOM 444 CG2 VAL A 66 -48.858 10.262 7.607 1.00 63.02 C ATOM 445 H VAL A 66 -47.686 6.995 7.717 1.00 0.00 H ATOM 446 N GLY A 67 -45.692 8.671 10.666 1.00 50.07 N ATOM 447 CA GLY A 67 -45.243 8.229 11.972 1.00 47.27 C ATOM 448 C GLY A 67 -45.245 9.390 12.948 1.00 49.99 C ATOM 449 O GLY A 67 -45.412 10.561 12.570 1.00 48.37 O ATOM 450 H GLY A 67 -45.165 9.427 10.184 1.00 0.00 H ATOM 451 N LYS A 68 -45.004 9.063 14.218 1.00 47.50 N ATOM 452 CA LYS A 68 -44.918 10.031 15.284 1.00 48.49 C ATOM 453 C LYS A 68 -43.722 10.968 15.111 1.00 55.03 C ATOM 454 O LYS A 68 -43.807 12.114 15.572 1.00 59.31 O ATOM 455 CB LYS A 68 -44.903 9.327 16.644 1.00 49.87 C ATOM 456 CG LYS A 68 -46.255 9.316 17.349 1.00 57.25 C ATOM 457 CD LYS A 68 -46.149 9.932 18.782 1.00 69.33 C ATOM 458 CE LYS A 68 -46.541 11.410 18.875 1.00 71.25 C ATOM 459 NZ LYS A 68 -46.094 12.060 20.145 1.00 70.68 N ATOM 460 HZ1 LYS A 68 -46.524 11.569 20.954 1.00 0.00 H ATOM 461 HZ2 LYS A 68 -45.058 12.005 20.215 1.00 0.00 H ATOM 462 HZ3 LYS A 68 -46.390 13.057 20.145 1.00 0.00 H ATOM 463 H LYS A 68 -44.871 8.058 14.452 1.00 0.00 H ATOM 464 N ARG A 69 -42.633 10.530 14.438 1.00 49.15 N ATOM 465 CA ARG A 69 -41.456 11.399 14.304 1.00 48.68 C ATOM 466 C ARG A 69 -40.819 11.500 12.911 1.00 50.66 C ATOM 467 O ARG A 69 -39.756 12.114 12.746 1.00 49.68 O ATOM 468 CB ARG A 69 -40.396 11.045 15.333 1.00 47.10 C ATOM 469 CG ARG A 69 -40.152 9.577 15.628 1.00 54.21 C ATOM 470 CD ARG A 69 -39.069 9.477 16.680 1.00 47.85 C ATOM 471 NE ARG A 69 -39.594 10.132 17.845 1.00 59.20 N ATOM 472 CZ ARG A 69 -38.953 10.996 18.596 1.00 76.69 C ATOM 473 NH1 ARG A 69 -37.665 11.241 18.387 1.00 67.53 N ATOM 474 NH2 ARG A 69 -39.571 11.575 19.605 1.00 73.23 N ATOM 475 HE ARG A 69 -40.570 9.901 18.118 1.00 0.00 H ATOM 476 HH12 ARG A 69 -37.162 11.927 18.986 1.00 0.00 H ATOM 477 HH11 ARG A 69 -37.159 10.747 17.625 1.00 0.00 H ATOM 478 HH22 ARG A 69 -39.064 12.260 20.201 1.00 0.00 H ATOM 479 HH21 ARG A 69 -40.566 11.347 19.805 1.00 0.00 H ATOM 480 H ARG A 69 -42.629 9.579 14.016 1.00 0.00 H ATOM 481 N ALA A 70 -41.510 10.970 11.924 1.00 46.69 N ATOM 482 CA ALA A 70 -41.137 11.037 10.522 1.00 47.33 C ATOM 483 C ALA A 70 -42.390 10.811 9.672 1.00 54.95 C ATOM 484 O ALA A 70 -43.349 10.143 10.101 1.00 53.94 O ATOM 485 CB ALA A 70 -40.079 9.985 10.170 1.00 45.65 C ATOM 486 H ALA A 70 -42.387 10.466 12.166 1.00 0.00 H ATOM 487 N THR A 71 -42.391 11.412 8.475 1.00 52.56 N ATOM 488 CA THR A 71 -43.450 11.189 7.502 1.00 53.53 C ATOM 489 C THR A 71 -42.746 11.008 6.186 1.00 57.24 C ATOM 490 O THR A 71 -41.612 11.475 6.030 1.00 55.63 O ATOM 491 CB THR A 71 -44.494 12.291 7.430 1.00 61.20 C ATOM 492 OG1 THR A 71 -43.874 13.450 6.899 1.00 65.18 O ATOM 493 CG2 THR A 71 -45.142 12.589 8.751 1.00 59.33 C ATOM 494 HG1 THR A 71 -44.538 14.182 6.843 1.00 0.00 H ATOM 495 H THR A 71 -41.612 12.057 8.234 1.00 0.00 H ATOM 496 N ALA A 72 -43.385 10.286 5.255 1.00 54.70 N ATOM 497 CA ALA A 72 -42.780 10.052 3.959 1.00 54.45 C ATOM 498 C ALA A 72 -43.776 9.776 2.860 1.00 61.28 C ATOM 499 O ALA A 72 -44.914 9.393 3.108 1.00 61.48 O ATOM 500 CB ALA A 72 -41.799 8.903 4.051 1.00 52.49 C ATOM 501 H ALA A 72 -44.324 9.890 5.465 1.00 0.00 H ATOM 502 N ILE A 73 -43.327 9.975 1.629 1.00 61.20 N ATOM 503 CA ILE A 73 -44.052 9.615 0.417 1.00 63.09 C ATOM 504 C ILE A 73 -43.239 8.487 -0.198 1.00 64.49 C ATOM 505 O ILE A 73 -42.044 8.650 -0.463 1.00 61.81 O ATOM 506 CB ILE A 73 -44.288 10.787 -0.574 1.00 69.64 C ATOM 507 CG1 ILE A 73 -45.295 11.776 -0.010 1.00 73.00 C ATOM 508 CG2 ILE A 73 -44.811 10.266 -1.901 1.00 71.10 C ATOM 509 CD1 ILE A 73 -44.705 12.936 0.739 1.00 94.31 C ATOM 510 H ILE A 73 -42.393 10.419 1.520 1.00 0.00 H ATOM 511 N LEU A 74 -43.882 7.327 -0.367 1.00 61.50 N ATOM 512 CA LEU A 74 -43.278 6.162 -0.978 1.00 60.03 C ATOM 513 C LEU A 74 -43.962 5.828 -2.268 1.00 67.51 C ATOM 514 O LEU A 74 -45.184 5.786 -2.335 1.00 68.93 O ATOM 515 CB LEU A 74 -43.320 4.969 -0.014 1.00 56.87 C ATOM 516 CG LEU A 74 -42.856 3.608 -0.532 1.00 59.96 C ATOM 517 CD1 LEU A 74 -41.395 3.638 -1.036 1.00 59.36 C ATOM 518 CD2 LEU A 74 -43.034 2.571 0.538 1.00 58.94 C ATOM 519 H LEU A 74 -44.868 7.258 -0.043 1.00 0.00 H ATOM 520 N ARG A 75 -43.169 5.575 -3.296 1.00 66.39 N ATOM 521 CA ARG A 75 -43.666 5.142 -4.594 1.00 68.87 C ATOM 522 C ARG A 75 -42.912 3.872 -4.918 1.00 68.76 C ATOM 523 O ARG A 75 -41.686 3.877 -4.929 1.00 66.81 O ATOM 524 CB ARG A 75 -43.448 6.209 -5.660 1.00 75.46 C ATOM 525 CG ARG A 75 -44.223 7.487 -5.381 1.00 96.91 C ATOM 526 CD ARG A 75 -43.731 8.659 -6.204 1.00114.37 C ATOM 527 NE ARG A 75 -43.994 9.932 -5.522 1.00127.77 N ATOM 528 CZ ARG A 75 -44.953 10.790 -5.867 1.00142.07 C ATOM 529 NH1 ARG A 75 -45.740 10.534 -6.906 1.00139.55 N ATOM 530 NH2 ARG A 75 -45.119 11.920 -5.187 1.00113.36 N ATOM 531 HE ARG A 75 -43.390 10.181 -4.713 1.00 0.00 H ATOM 532 HH12 ARG A 75 -46.487 11.207 -7.171 1.00 0.00 H ATOM 533 HH11 ARG A 75 -45.609 9.660 -7.455 1.00 0.00 H ATOM 534 HH22 ARG A 75 -45.869 12.586 -5.461 1.00 0.00 H ATOM 535 HH21 ARG A 75 -44.499 12.138 -4.381 1.00 0.00 H ATOM 536 H ARG A 75 -42.143 5.691 -3.171 1.00 0.00 H ATOM 537 N LYS A 76 -43.652 2.767 -5.121 1.00 62.55 N ATOM 538 CA LYS A 76 -43.077 1.466 -5.367 1.00 58.48 C ATOM 539 C LYS A 76 -43.786 0.688 -6.444 1.00 64.40 C ATOM 540 O LYS A 76 -44.979 0.857 -6.671 1.00 65.77 O ATOM 541 CB LYS A 76 -43.074 0.655 -4.052 1.00 56.06 C ATOM 542 CG LYS A 76 -44.450 0.115 -3.576 1.00 56.34 C ATOM 543 CD LYS A 76 -44.348 -0.839 -2.408 1.00 53.85 C ATOM 544 CE LYS A 76 -43.737 -2.162 -2.816 1.00 61.00 C ATOM 545 NZ LYS A 76 -44.774 -3.139 -3.226 1.00 72.86 N ATOM 546 HZ1 LYS A 76 -45.423 -3.308 -2.431 1.00 0.00 H ATOM 547 HZ2 LYS A 76 -45.306 -2.759 -4.035 1.00 0.00 H ATOM 548 HZ3 LYS A 76 -44.318 -4.033 -3.499 1.00 0.00 H ATOM 549 H LYS A 76 -44.688 2.854 -5.100 1.00 0.00 H ATOM 550 N ALA A 77 -43.042 -0.199 -7.083 1.00 63.27 N ATOM 551 CA ALA A 77 -43.525 -1.184 -8.047 1.00 65.48 C ATOM 552 C ALA A 77 -43.281 -2.567 -7.399 1.00 69.65 C ATOM 553 O ALA A 77 -42.914 -2.631 -6.194 1.00 67.23 O ATOM 554 CB ALA A 77 -42.783 -1.054 -9.362 1.00 68.90 C ATOM 555 H ALA A 77 -42.022 -0.195 -6.881 1.00 0.00 H ATOM 556 N THR A 78 -43.502 -3.666 -8.168 1.00 66.18 N ATOM 557 CA THR A 78 -43.345 -5.011 -7.617 1.00 63.90 C ATOM 558 C THR A 78 -41.918 -5.247 -7.186 1.00 66.48 C ATOM 559 O THR A 78 -41.028 -5.279 -8.035 1.00 69.18 O ATOM 560 CB THR A 78 -43.851 -6.065 -8.585 1.00 75.12 C ATOM 561 OG1 THR A 78 -45.157 -5.690 -9.020 1.00 79.27 O ATOM 562 CG2 THR A 78 -43.864 -7.470 -7.970 1.00 67.85 C ATOM 563 HG1 THR A 78 -45.500 -6.369 -9.653 1.00 0.00 H ATOM 564 H THR A 78 -43.787 -3.548 -9.161 1.00 0.00 H ATOM 565 N ARG A 79 -41.695 -5.343 -5.862 1.00 59.13 N ATOM 566 CA ARG A 79 -40.373 -5.613 -5.289 1.00 56.97 C ATOM 567 C ARG A 79 -39.318 -4.574 -5.744 1.00 60.96 C ATOM 568 O ARG A 79 -38.152 -4.922 -5.959 1.00 61.20 O ATOM 569 CB ARG A 79 -39.927 -7.058 -5.604 1.00 54.13 C ATOM 570 CG ARG A 79 -40.897 -8.125 -5.142 1.00 48.30 C ATOM 571 CD ARG A 79 -40.231 -9.475 -5.051 1.00 59.30 C ATOM 572 NE ARG A 79 -39.084 -9.470 -4.137 1.00 57.03 N ATOM 573 CZ ARG A 79 -38.060 -10.312 -4.207 1.00 67.13 C ATOM 574 NH1 ARG A 79 -38.022 -11.251 -5.147 1.00 69.36 N ATOM 575 NH2 ARG A 79 -37.050 -10.205 -3.360 1.00 45.30 N ATOM 576 HE ARG A 79 -39.072 -8.756 -3.381 1.00 0.00 H ATOM 577 HH12 ARG A 79 -37.216 -11.907 -5.195 1.00 0.00 H ATOM 578 HH11 ARG A 79 -38.798 -11.330 -5.835 1.00 0.00 H ATOM 579 HH22 ARG A 79 -36.250 -10.867 -3.419 1.00 0.00 H ATOM 580 HH21 ARG A 79 -37.056 -9.459 -2.635 1.00 0.00 H ATOM 581 H ARG A 79 -42.499 -5.220 -5.214 1.00 0.00 H ATOM 582 N ARG A 80 -39.746 -3.317 -5.901 1.00 57.07 N ATOM 583 CA ARG A 80 -38.863 -2.250 -6.297 1.00 60.28 C ATOM 584 C ARG A 80 -39.362 -0.915 -5.785 1.00 67.20 C ATOM 585 O ARG A 80 -40.477 -0.528 -6.089 1.00 69.09 O ATOM 586 CB ARG A 80 -38.668 -2.226 -7.829 1.00 67.87 C ATOM 587 CG ARG A 80 -37.565 -1.297 -8.337 1.00 74.93 C ATOM 588 CD ARG A 80 -37.287 -1.586 -9.794 1.00 75.45 C ATOM 589 NE ARG A 80 -37.687 -0.460 -10.628 1.00 91.88 N ATOM 590 CZ ARG A 80 -38.871 -0.361 -11.215 1.00108.44 C ATOM 591 NH1 ARG A 80 -39.775 -1.326 -11.068 1.00107.20 N ATOM 592 NH2 ARG A 80 -39.163 0.706 -11.958 1.00 78.39 N ATOM 593 HE ARG A 80 -37.004 0.311 -10.771 1.00 0.00 H ATOM 594 HH12 ARG A 80 -40.703 -1.244 -11.530 1.00 0.00 H ATOM 595 HH11 ARG A 80 -39.554 -2.162 -10.491 1.00 0.00 H ATOM 596 HH22 ARG A 80 -40.093 0.781 -12.417 1.00 0.00 H ATOM 597 HH21 ARG A 80 -38.461 1.464 -12.078 1.00 0.00 H ATOM 598 H ARG A 80 -40.749 -3.103 -5.732 1.00 0.00 H ATOM 599 N LEU A 81 -38.542 -0.221 -4.990 1.00 63.16 N ATOM 600 CA LEU A 81 -38.810 1.126 -4.500 1.00 62.66 C ATOM 601 C LEU A 81 -38.425 2.079 -5.654 1.00 68.84 C ATOM 602 O LEU A 81 -37.307 2.031 -6.179 1.00 69.84 O ATOM 603 CB LEU A 81 -37.961 1.395 -3.247 1.00 60.37 C ATOM 604 CG LEU A 81 -38.075 2.743 -2.536 1.00 65.39 C ATOM 605 CD1 LEU A 81 -37.658 2.584 -1.120 1.00 62.81 C ATOM 606 CD2 LEU A 81 -37.177 3.823 -3.183 1.00 72.20 C ATOM 607 H LEU A 81 -37.651 -0.673 -4.701 1.00 0.00 H ATOM 608 N VAL A 82 -39.365 2.907 -6.061 1.00 65.86 N ATOM 609 CA VAL A 82 -39.148 3.855 -7.160 1.00 68.72 C ATOM 610 C VAL A 82 -38.588 5.175 -6.577 1.00 70.85 C ATOM 611 O VAL A 82 -37.642 5.747 -7.118 1.00 71.56 O ATOM 612 CB VAL A 82 -40.458 4.069 -7.957 1.00 74.00 C ATOM 613 CG1 VAL A 82 -40.345 5.251 -8.910 1.00 78.98 C ATOM 614 CG2 VAL A 82 -40.868 2.809 -8.703 1.00 73.42 C ATOM 615 H VAL A 82 -40.291 2.888 -5.588 1.00 0.00 H ATOM 616 N GLN A 83 -39.188 5.646 -5.477 1.00 64.19 N ATOM 617 CA GLN A 83 -38.773 6.867 -4.805 1.00 62.83 C ATOM 618 C GLN A 83 -39.346 6.965 -3.389 1.00 62.20 C ATOM 619 O GLN A 83 -40.491 6.583 -3.148 1.00 59.71 O ATOM 620 CB GLN A 83 -39.199 8.079 -5.614 1.00 67.77 C ATOM 621 CG GLN A 83 -38.329 9.286 -5.370 1.00 80.08 C ATOM 622 CD GLN A 83 -38.938 10.498 -6.017 1.00 97.23 C ATOM 623 OE1 GLN A 83 -40.036 10.938 -5.663 1.00 86.43 O ATOM 624 NE2 GLN A 83 -38.255 11.051 -6.998 1.00 98.69 N ATOM 625 HE22 GLN A 83 -37.332 10.659 -7.275 1.00 0.00 H ATOM 626 HE21 GLN A 83 -38.638 11.880 -7.496 1.00 0.00 H ATOM 627 H GLN A 83 -39.990 5.113 -5.084 1.00 0.00 H ATOM 628 N LEU A 84 -38.543 7.486 -2.459 1.00 57.89 N ATOM 629 CA LEU A 84 -38.919 7.752 -1.067 1.00 54.59 C ATOM 630 C LEU A 84 -38.447 9.138 -0.667 1.00 61.18 C ATOM 631 O LEU A 84 -37.252 9.415 -0.673 1.00 59.81 O ATOM 632 CB LEU A 84 -38.403 6.681 -0.086 1.00 50.42 C ATOM 633 CG LEU A 84 -38.729 6.918 1.396 1.00 52.16 C ATOM 634 CD1 LEU A 84 -40.118 6.481 1.750 1.00 49.68 C ATOM 635 CD2 LEU A 84 -37.728 6.244 2.296 1.00 53.48 C ATOM 636 H LEU A 84 -37.571 7.723 -2.745 1.00 0.00 H ATOM 637 N ILE A 85 -39.399 10.012 -0.355 1.00 62.40 N ATOM 638 CA ILE A 85 -39.121 11.372 0.102 1.00 65.16 C ATOM 639 C ILE A 85 -39.422 11.366 1.594 1.00 71.54 C ATOM 640 O ILE A 85 -40.567 11.148 1.984 1.00 71.72 O ATOM 641 CB ILE A 85 -39.926 12.461 -0.645 1.00 71.44 C ATOM 642 CG1 ILE A 85 -39.753 12.353 -2.164 1.00 75.51 C ATOM 643 CG2 ILE A 85 -39.540 13.854 -0.130 1.00 72.29 C ATOM 644 CD1 ILE A 85 -40.739 13.200 -2.959 1.00 95.60 C ATOM 645 H ILE A 85 -40.391 9.713 -0.440 1.00 0.00 H ATOM 646 N VAL A 86 -38.396 11.576 2.427 1.00 68.70 N ATOM 647 CA VAL A 86 -38.538 11.554 3.884 1.00 66.20 C ATOM 648 C VAL A 86 -38.370 12.869 4.551 1.00 69.56 C ATOM 649 O VAL A 86 -37.423 13.591 4.283 1.00 69.97 O ATOM 650 CB VAL A 86 -37.633 10.545 4.609 1.00 67.42 C ATOM 651 CG1 VAL A 86 -38.452 9.427 5.198 1.00 64.66 C ATOM 652 CG2 VAL A 86 -36.505 10.034 3.718 1.00 68.05 C ATOM 653 H VAL A 86 -37.457 11.763 2.022 1.00 0.00 H ATOM 654 N SER A 87 -39.203 13.089 5.543 1.00 64.68 N ATOM 655 CA SER A 87 -39.165 14.240 6.402 1.00 64.83 C ATOM 656 C SER A 87 -39.158 13.651 7.818 1.00 64.41 C ATOM 657 O SER A 87 -39.773 12.604 8.034 1.00 60.32 O ATOM 658 CB SER A 87 -40.403 15.094 6.159 1.00 71.69 C ATOM 659 OG SER A 87 -40.137 16.434 6.536 1.00 88.83 O ATOM 660 HG SER A 87 -39.384 16.784 5.997 1.00 0.00 H ATOM 661 H SER A 87 -39.943 12.379 5.719 1.00 0.00 H ATOM 662 N GLY A 88 -38.460 14.294 8.752 1.00 62.11 N ATOM 663 CA GLY A 88 -38.387 13.798 10.121 1.00 60.86 C ATOM 664 C GLY A 88 -37.713 14.718 11.113 1.00 66.25 C ATOM 665 O GLY A 88 -37.111 15.728 10.726 1.00 68.75 O ATOM 666 H GLY A 88 -37.956 15.168 8.500 1.00 0.00 H ATOM 667 N LYS A 89 -37.796 14.344 12.408 1.00 60.30 N ATOM 668 CA LYS A 89 -37.250 15.105 13.537 1.00 59.39 C ATOM 669 C LYS A 89 -35.734 15.184 13.526 1.00 62.95 C ATOM 670 O LYS A 89 -35.184 16.193 13.953 1.00 65.59 O ATOM 671 CB LYS A 89 -37.736 14.522 14.879 1.00 58.52 C ATOM 672 CG LYS A 89 -39.116 14.985 15.248 1.00 46.36 C ATOM 673 CD LYS A 89 -39.708 14.141 16.328 1.00 53.11 C ATOM 674 CE LYS A 89 -39.369 14.619 17.699 1.00 82.66 C ATOM 675 NZ LYS A 89 -40.364 15.635 18.178 1.00 84.67 N ATOM 676 HZ1 LYS A 89 -40.364 16.450 17.532 1.00 0.00 H ATOM 677 HZ2 LYS A 89 -41.312 15.207 18.199 1.00 0.00 H ATOM 678 HZ3 LYS A 89 -40.103 15.950 19.134 1.00 0.00 H ATOM 679 H LYS A 89 -38.283 13.450 12.621 1.00 0.00 H ATOM 680 N ASP A 90 -35.061 14.118 13.077 1.00 56.20 N ATOM 681 CA ASP A 90 -33.603 14.027 13.066 1.00 56.07 C ATOM 682 C ASP A 90 -33.181 12.801 12.263 1.00 58.12 C ATOM 683 O ASP A 90 -34.037 12.055 11.816 1.00 56.01 O ATOM 684 CB ASP A 90 -33.064 13.926 14.502 1.00 58.27 C ATOM 685 CG ASP A 90 -33.833 12.968 15.421 1.00 68.15 C ATOM 686 OD1 ASP A 90 -34.216 11.872 14.957 1.00 64.84 O ATOM 687 OD2 ASP A 90 -34.054 13.321 16.604 1.00 75.63 O ATOM 688 H ASP A 90 -35.606 13.309 12.716 1.00 0.00 H ATOM 689 N GLU A 91 -31.873 12.583 12.110 1.00 54.60 N ATOM 690 CA GLU A 91 -31.260 11.476 11.386 1.00 53.32 C ATOM 691 C GLU A 91 -31.853 10.133 11.797 1.00 57.56 C ATOM 692 O GLU A 91 -32.170 9.335 10.920 1.00 56.50 O ATOM 693 CB GLU A 91 -29.754 11.475 11.639 1.00 56.57 C ATOM 694 CG GLU A 91 -29.024 10.226 11.192 1.00 68.91 C ATOM 695 CD GLU A 91 -28.263 9.454 12.256 1.00108.44 C ATOM 696 OE1 GLU A 91 -28.243 9.905 13.427 1.00106.89 O ATOM 697 OE2 GLU A 91 -27.700 8.385 11.919 1.00113.31 O ATOM 698 H GLU A 91 -31.228 13.270 12.550 1.00 0.00 H ATOM 699 N GLN A 92 -31.996 9.868 13.132 1.00 54.26 N ATOM 700 CA GLN A 92 -32.496 8.583 13.621 1.00 50.44 C ATOM 701 C GLN A 92 -33.913 8.322 13.183 1.00 52.68 C ATOM 702 O GLN A 92 -34.188 7.233 12.678 1.00 51.28 O ATOM 703 CB GLN A 92 -32.336 8.402 15.132 1.00 51.36 C ATOM 704 CG GLN A 92 -31.117 7.618 15.553 1.00 65.63 C ATOM 705 CD GLN A 92 -31.011 6.204 15.061 1.00 84.85 C ATOM 706 OE1 GLN A 92 -29.891 5.750 14.807 1.00 90.34 O ATOM 707 NE2 GLN A 92 -32.149 5.469 14.938 1.00 58.08 N ATOM 708 HE22 GLN A 92 -33.070 5.895 15.164 1.00 0.00 H ATOM 709 HE21 GLN A 92 -32.098 4.481 14.618 1.00 0.00 H ATOM 710 H GLN A 92 -31.741 10.604 13.821 1.00 0.00 H ATOM 711 N SER A 93 -34.802 9.319 13.322 1.00 49.13 N ATOM 712 CA SER A 93 -36.211 9.213 12.908 1.00 48.84 C ATOM 713 C SER A 93 -36.336 8.944 11.445 1.00 50.97 C ATOM 714 O SER A 93 -37.190 8.164 11.049 1.00 50.97 O ATOM 715 CB SER A 93 -36.948 10.517 13.200 1.00 57.54 C ATOM 716 OG SER A 93 -36.834 10.850 14.576 1.00 67.11 O ATOM 717 HG SER A 93 -35.878 10.959 14.810 1.00 0.00 H ATOM 718 H SER A 93 -34.478 10.213 13.744 1.00 0.00 H ATOM 719 N ILE A 94 -35.522 9.652 10.632 1.00 47.46 N ATOM 720 CA ILE A 94 -35.493 9.535 9.188 1.00 45.81 C ATOM 721 C ILE A 94 -34.961 8.162 8.826 1.00 50.07 C ATOM 722 O ILE A 94 -35.597 7.466 8.056 1.00 49.72 O ATOM 723 CB ILE A 94 -34.728 10.690 8.537 1.00 49.60 C ATOM 724 CG1 ILE A 94 -35.451 12.020 8.783 1.00 49.47 C ATOM 725 CG2 ILE A 94 -34.535 10.433 7.058 1.00 52.17 C ATOM 726 CD1 ILE A 94 -34.592 13.260 8.569 1.00 48.31 C ATOM 727 H ILE A 94 -34.869 10.330 11.074 1.00 0.00 H ATOM 728 N ALA A 95 -33.845 7.740 9.408 1.00 49.22 N ATOM 729 CA ALA A 95 -33.296 6.396 9.138 1.00 50.33 C ATOM 730 C ALA A 95 -34.336 5.295 9.418 1.00 52.89 C ATOM 731 O ALA A 95 -34.498 4.384 8.612 1.00 49.96 O ATOM 732 CB ALA A 95 -32.047 6.146 9.979 1.00 52.12 C ATOM 733 H ALA A 95 -33.346 8.370 10.069 1.00 0.00 H ATOM 734 N GLU A 96 -35.056 5.428 10.546 1.00 49.95 N ATOM 735 CA GLU A 96 -36.097 4.531 11.011 1.00 48.70 C ATOM 736 C GLU A 96 -37.171 4.449 9.941 1.00 51.96 C ATOM 737 O GLU A 96 -37.606 3.350 9.631 1.00 53.71 O ATOM 738 CB GLU A 96 -36.645 5.105 12.298 1.00 51.32 C ATOM 739 CG GLU A 96 -37.348 4.186 13.272 1.00 68.96 C ATOM 740 CD GLU A 96 -37.519 4.888 14.617 1.00 91.61 C ATOM 741 OE1 GLU A 96 -36.555 4.867 15.422 1.00 72.01 O ATOM 742 OE2 GLU A 96 -38.515 5.638 14.764 1.00 82.69 O ATOM 743 H GLU A 96 -34.846 6.254 11.143 1.00 0.00 H ATOM 744 N ALA A 97 -37.549 5.573 9.326 1.00 46.42 N ATOM 745 CA ALA A 97 -38.529 5.545 8.235 1.00 47.44 C ATOM 746 C ALA A 97 -37.969 4.885 6.973 1.00 52.54 C ATOM 747 O ALA A 97 -38.694 4.168 6.280 1.00 55.71 O ATOM 748 CB ALA A 97 -39.001 6.951 7.901 1.00 49.65 C ATOM 749 H ALA A 97 -37.142 6.482 9.625 1.00 0.00 H ATOM 750 N ILE A 98 -36.692 5.147 6.659 1.00 44.89 N ATOM 751 CA ILE A 98 -36.021 4.583 5.501 1.00 43.06 C ATOM 752 C ILE A 98 -35.963 3.052 5.629 1.00 46.34 C ATOM 753 O ILE A 98 -36.179 2.336 4.647 1.00 45.69 O ATOM 754 CB ILE A 98 -34.602 5.198 5.338 1.00 45.25 C ATOM 755 CG1 ILE A 98 -34.696 6.661 4.881 1.00 46.66 C ATOM 756 CG2 ILE A 98 -33.778 4.394 4.352 1.00 41.17 C ATOM 757 CD1 ILE A 98 -33.357 7.444 4.919 1.00 41.93 C ATOM 758 H ILE A 98 -36.154 5.788 7.277 1.00 0.00 H ATOM 759 N ILE A 99 -35.669 2.553 6.833 1.00 41.40 N ATOM 760 CA ILE A 99 -35.564 1.114 7.006 1.00 40.25 C ATOM 761 C ILE A 99 -36.894 0.455 6.662 1.00 48.58 C ATOM 762 O ILE A 99 -36.896 -0.507 5.882 1.00 50.85 O ATOM 763 CB ILE A 99 -35.074 0.748 8.406 1.00 41.00 C ATOM 764 CG1 ILE A 99 -33.607 1.140 8.564 1.00 41.11 C ATOM 765 CG2 ILE A 99 -35.267 -0.738 8.661 1.00 40.38 C ATOM 766 CD1 ILE A 99 -33.160 1.366 10.022 1.00 38.01 C ATOM 767 H ILE A 99 -35.516 3.190 7.641 1.00 0.00 H ATOM 768 N VAL A 100 -38.017 1.005 7.203 1.00 42.81 N ATOM 769 CA VAL A 100 -39.362 0.485 7.008 1.00 41.65 C ATOM 770 C VAL A 100 -39.730 0.511 5.509 1.00 48.39 C ATOM 771 O VAL A 100 -40.274 -0.471 4.995 1.00 49.01 O ATOM 772 CB VAL A 100 -40.405 1.237 7.872 1.00 45.43 C ATOM 773 CG1 VAL A 100 -41.837 0.805 7.540 1.00 45.06 C ATOM 774 CG2 VAL A 100 -40.121 1.087 9.357 1.00 45.15 C ATOM 775 H VAL A 100 -37.906 1.853 7.795 1.00 0.00 H ATOM 776 N ALA A 101 -39.432 1.622 4.817 1.00 44.55 N ATOM 777 CA ALA A 101 -39.716 1.737 3.399 1.00 45.20 C ATOM 778 C ALA A 101 -38.976 0.696 2.603 1.00 49.24 C ATOM 779 O ALA A 101 -39.572 0.061 1.741 1.00 51.15 O ATOM 780 CB ALA A 101 -39.331 3.103 2.916 1.00 47.31 C ATOM 781 H ALA A 101 -38.986 2.421 5.310 1.00 0.00 H ATOM 782 N MET A 102 -37.682 0.505 2.895 1.00 44.47 N ATOM 783 CA MET A 102 -36.830 -0.461 2.205 1.00 42.67 C ATOM 784 C MET A 102 -37.328 -1.883 2.417 1.00 43.46 C ATOM 785 O MET A 102 -37.386 -2.647 1.447 1.00 43.76 O ATOM 786 CB MET A 102 -35.388 -0.323 2.654 1.00 44.93 C ATOM 787 CG MET A 102 -34.692 0.856 2.080 1.00 49.83 C ATOM 788 SD MET A 102 -33.017 0.958 2.756 1.00 55.37 S ATOM 789 CE MET A 102 -32.398 2.289 1.810 1.00 54.29 C ATOM 790 H MET A 102 -37.261 1.076 3.655 1.00 0.00 H ATOM 791 N VAL A 103 -37.718 -2.233 3.672 1.00 37.30 N ATOM 792 CA VAL A 103 -38.264 -3.567 3.967 1.00 36.46 C ATOM 793 C VAL A 103 -39.626 -3.705 3.262 1.00 45.08 C ATOM 794 O VAL A 103 -39.857 -4.669 2.547 1.00 45.89 O ATOM 795 CB VAL A 103 -38.362 -3.813 5.473 1.00 37.86 C ATOM 796 CG1 VAL A 103 -39.141 -5.081 5.793 1.00 37.52 C ATOM 797 CG2 VAL A 103 -36.983 -3.856 6.098 1.00 37.13 C ATOM 798 H VAL A 103 -37.628 -1.540 4.443 1.00 0.00 H ATOM 799 N PHE A 104 -40.485 -2.692 3.402 1.00 43.72 N ATOM 800 CA PHE A 104 -41.788 -2.654 2.753 1.00 44.12 C ATOM 801 C PHE A 104 -41.711 -2.838 1.242 1.00 45.05 C ATOM 802 O PHE A 104 -42.592 -3.467 0.673 1.00 43.49 O ATOM 803 CB PHE A 104 -42.491 -1.344 3.079 1.00 46.74 C ATOM 804 CG PHE A 104 -43.918 -1.280 2.594 1.00 50.83 C ATOM 805 CD1 PHE A 104 -44.939 -1.906 3.303 1.00 54.39 C ATOM 806 CD2 PHE A 104 -44.248 -0.583 1.435 1.00 53.94 C ATOM 807 CE1 PHE A 104 -46.265 -1.829 2.863 1.00 55.98 C ATOM 808 CE2 PHE A 104 -45.572 -0.508 1.002 1.00 57.82 C ATOM 809 CZ PHE A 104 -46.570 -1.126 1.720 1.00 55.38 C ATOM 810 H PHE A 104 -40.210 -1.890 4.005 1.00 0.00 H ATOM 811 N SER A 105 -40.666 -2.285 0.609 1.00 42.71 N ATOM 812 CA SER A 105 -40.465 -2.324 -0.836 1.00 44.40 C ATOM 813 C SER A 105 -40.338 -3.756 -1.323 1.00 52.83 C ATOM 814 O SER A 105 -40.603 -4.020 -2.492 1.00 54.88 O ATOM 815 CB SER A 105 -39.228 -1.523 -1.224 1.00 44.65 C ATOM 816 OG SER A 105 -38.052 -2.307 -1.116 1.00 47.10 O ATOM 817 HG SER A 105 -37.947 -2.616 -0.181 1.00 0.00 H ATOM 818 H SER A 105 -39.952 -1.796 1.186 1.00 0.00 H ATOM 819 N GLN A 106 -39.911 -4.679 -0.422 1.00 48.75 N ATOM 820 CA GLN A 106 -39.698 -6.104 -0.724 1.00 48.16 C ATOM 821 C GLN A 106 -38.565 -6.322 -1.746 1.00 53.66 C ATOM 822 O GLN A 106 -38.458 -7.408 -2.324 1.00 54.63 O ATOM 823 CB GLN A 106 -41.014 -6.808 -1.156 1.00 49.55 C ATOM 824 CG GLN A 106 -42.075 -6.879 -0.068 1.00 44.21 C ATOM 825 CD GLN A 106 -43.407 -7.466 -0.492 1.00 54.63 C ATOM 826 OE1 GLN A 106 -43.928 -7.212 -1.584 1.00 45.66 O ATOM 827 NE2 GLN A 106 -44.039 -8.200 0.416 1.00 53.22 N ATOM 828 HE22 GLN A 106 -43.584 -8.403 1.329 1.00 0.00 H ATOM 829 HE21 GLN A 106 -44.989 -8.572 0.214 1.00 0.00 H ATOM 830 H GLN A 106 -39.721 -4.356 0.548 1.00 0.00 H ATOM 831 N GLU A 107 -37.715 -5.299 -1.957 1.00 50.99 N ATOM 832 CA GLU A 107 -36.599 -5.379 -2.901 1.00 53.49 C ATOM 833 C GLU A 107 -35.665 -6.545 -2.636 1.00 58.04 C ATOM 834 O GLU A 107 -35.397 -6.857 -1.475 1.00 53.72 O ATOM 835 CB GLU A 107 -35.795 -4.071 -2.930 1.00 55.60 C ATOM 836 CG GLU A 107 -36.435 -2.990 -3.774 1.00 64.32 C ATOM 837 CD GLU A 107 -35.473 -2.102 -4.536 1.00 77.07 C ATOM 838 OE1 GLU A 107 -34.287 -2.468 -4.697 1.00 61.59 O ATOM 839 OE2 GLU A 107 -35.921 -1.030 -4.992 1.00 74.93 O ATOM 840 H GLU A 107 -37.857 -4.415 -1.427 1.00 0.00 H ATOM 841 N ASP A 108 -35.140 -7.168 -3.721 1.00 58.61 N ATOM 842 CA ASP A 108 -34.210 -8.270 -3.565 1.00 58.20 C ATOM 843 C ASP A 108 -32.897 -7.889 -2.868 1.00 63.03 C ATOM 844 O ASP A 108 -32.339 -8.719 -2.143 1.00 61.89 O ATOM 845 CB ASP A 108 -33.948 -8.993 -4.873 1.00 61.25 C ATOM 846 CG ASP A 108 -33.450 -10.406 -4.624 1.00 68.69 C ATOM 847 OD1 ASP A 108 -34.194 -11.210 -3.920 1.00 67.21 O ATOM 848 OD2 ASP A 108 -32.301 -10.704 -5.045 1.00 70.82 O ATOM 849 H ASP A 108 -35.407 -6.852 -4.675 1.00 0.00 H ATOM 850 N CYS A 109 -32.408 -6.655 -3.053 1.00 61.86 N ATOM 851 CA CYS A 109 -31.172 -6.258 -2.363 1.00 63.38 C ATOM 852 C CYS A 109 -31.421 -6.123 -0.865 1.00 64.86 C ATOM 853 O CYS A 109 -30.488 -6.238 -0.074 1.00 66.95 O ATOM 854 CB CYS A 109 -30.571 -4.990 -2.953 1.00 66.92 C ATOM 855 SG CYS A 109 -31.586 -3.517 -2.716 1.00 70.31 S ATOM 856 H CYS A 109 -32.898 -5.985 -3.679 1.00 0.00 H ATOM 857 N MET A 110 -32.677 -5.885 -0.468 1.00 56.61 N ATOM 858 CA MET A 110 -33.000 -5.820 0.948 1.00 53.54 C ATOM 859 C MET A 110 -32.980 -7.255 1.500 1.00 58.85 C ATOM 860 O MET A 110 -32.405 -7.479 2.566 1.00 59.64 O ATOM 861 CB MET A 110 -34.333 -5.084 1.196 1.00 52.77 C ATOM 862 CG MET A 110 -34.882 -5.212 2.609 1.00 52.60 C ATOM 863 SD MET A 110 -35.712 -6.808 2.923 1.00 54.36 S ATOM 864 CE MET A 110 -37.183 -6.616 1.916 1.00 48.96 C ATOM 865 H MET A 110 -33.426 -5.746 -1.176 1.00 0.00 H ATOM 866 N ILE A 111 -33.579 -8.217 0.763 1.00 54.19 N ATOM 867 CA ILE A 111 -33.578 -9.627 1.146 1.00 53.03 C ATOM 868 C ILE A 111 -32.148 -10.183 1.162 1.00 56.06 C ATOM 869 O ILE A 111 -31.771 -10.851 2.130 1.00 53.92 O ATOM 870 CB ILE A 111 -34.568 -10.436 0.278 1.00 55.91 C ATOM 871 CG1 ILE A 111 -35.928 -10.493 0.965 1.00 52.57 C ATOM 872 CG2 ILE A 111 -34.091 -11.848 0.073 1.00 60.54 C ATOM 873 CD1 ILE A 111 -36.845 -9.671 0.385 1.00 56.18 C ATOM 874 H ILE A 111 -34.062 -7.941 -0.116 1.00 0.00 H ATOM 875 N LYS A 112 -31.341 -9.840 0.132 1.00 54.22 N ATOM 876 CA LYS A 112 -29.937 -10.259 0.037 1.00 56.52 C ATOM 877 C LYS A 112 -29.051 -9.663 1.123 1.00 60.96 C ATOM 878 O LYS A 112 -27.950 -10.159 1.350 1.00 62.90 O ATOM 879 CB LYS A 112 -29.367 -9.954 -1.351 1.00 61.38 C ATOM 880 CG LYS A 112 -29.912 -10.866 -2.478 1.00 57.41 C ATOM 881 CD LYS A 112 -29.625 -12.358 -2.240 1.00 59.09 C ATOM 882 CE LYS A 112 -30.082 -13.247 -3.366 1.00 56.47 C ATOM 883 NZ LYS A 112 -31.544 -13.172 -3.615 1.00 55.83 N ATOM 884 HZ1 LYS A 112 -32.056 -13.462 -2.757 1.00 0.00 H ATOM 885 HZ2 LYS A 112 -31.803 -12.195 -3.861 1.00 0.00 H ATOM 886 HZ3 LYS A 112 -31.794 -13.806 -4.401 1.00 0.00 H ATOM 887 H LYS A 112 -31.734 -9.251 -0.630 1.00 0.00 H ATOM 888 N ALA A 113 -29.544 -8.609 1.825 1.00 55.88 N ATOM 889 CA ALA A 113 -28.800 -7.960 2.908 1.00 54.44 C ATOM 890 C ALA A 113 -28.914 -8.708 4.183 1.00 55.78 C ATOM 891 O ALA A 113 -28.193 -8.392 5.124 1.00 55.91 O ATOM 892 CB ALA A 113 -29.218 -6.531 3.092 1.00 53.20 C ATOM 893 H ALA A 113 -30.489 -8.248 1.584 1.00 0.00 H ATOM 894 N VAL A 114 -29.800 -9.716 4.225 1.00 51.22 N ATOM 895 CA VAL A 114 -29.890 -10.602 5.382 1.00 51.93 C ATOM 896 C VAL A 114 -28.771 -11.624 5.220 1.00 64.64 C ATOM 897 O VAL A 114 -28.905 -12.545 4.397 1.00 68.13 O ATOM 898 CB VAL A 114 -31.247 -11.321 5.507 1.00 51.50 C ATOM 899 CG1 VAL A 114 -31.257 -12.269 6.711 1.00 50.85 C ATOM 900 CG2 VAL A 114 -32.404 -10.322 5.543 1.00 48.06 C ATOM 901 H VAL A 114 -30.436 -9.869 3.416 1.00 0.00 H ATOM 902 N ARG A 115 -27.680 -11.485 5.992 1.00 62.82 N ATOM 903 CA ARG A 115 -26.565 -12.437 5.896 1.00 95.69 C ATOM 904 C ARG A 115 -25.742 -12.504 7.169 1.00121.63 C ATOM 905 O ARG A 115 -25.787 -11.567 7.961 1.00 86.86 O ATOM 906 CB ARG A 115 -25.689 -12.150 4.666 1.00 97.10 C ATOM 907 CG ARG A 115 -25.031 -10.788 4.688 1.00102.77 C ATOM 908 CD ARG A 115 -25.082 -10.169 3.319 1.00105.65 C ATOM 909 NE ARG A 115 -24.047 -9.152 3.173 1.00114.55 N ATOM 910 CZ ARG A 115 -23.780 -8.512 2.043 1.00124.51 C ATOM 911 NH1 ARG A 115 -24.489 -8.760 0.949 1.00 95.36 N ATOM 912 NH2 ARG A 115 -22.807 -7.609 2.000 1.00120.88 N ATOM 913 HE ARG A 115 -23.480 -8.913 4.012 1.00 0.00 H ATOM 914 HH12 ARG A 115 -24.275 -8.255 0.065 1.00 0.00 H ATOM 915 HH11 ARG A 115 -25.258 -9.459 0.975 1.00 0.00 H ATOM 916 HH22 ARG A 115 -22.600 -7.109 1.112 1.00 0.00 H ATOM 917 HH21 ARG A 115 -22.252 -7.402 2.855 1.00 0.00 H ATOM 918 H ARG A 115 -27.624 -10.694 6.665 1.00 0.00 H TER 919 ARG A 115 ATOM 920 N ASN A 129 -45.182 -13.487 10.985 1.00 75.38 N ATOM 921 CA ASN A 129 -45.111 -12.924 9.654 1.00 73.00 C ATOM 922 C ASN A 129 -43.639 -12.617 9.287 1.00 69.39 C ATOM 923 O ASN A 129 -42.927 -12.008 10.084 1.00 68.69 O ATOM 924 CB ASN A 129 -46.017 -11.670 9.557 1.00 83.30 C ATOM 925 CG ASN A 129 -46.025 -10.986 8.197 1.00111.75 C ATOM 926 OD1 ASN A 129 -45.047 -10.365 7.787 1.00 87.19 O ATOM 927 ND2 ASN A 129 -47.150 -11.037 7.497 1.00115.62 N ATOM 928 HD22 ASN A 129 -47.966 -11.568 7.862 1.00 0.00 H ATOM 929 HD21 ASN A 129 -47.216 -10.546 6.583 1.00 0.00 H ATOM 930 HN3 ASN A 129 -44.793 -12.807 11.669 1.00 0.00 H ATOM 931 HN2 ASN A 129 -44.630 -14.368 11.017 1.00 0.00 H ATOM 932 HN1 ASN A 129 -46.174 -13.690 11.222 1.00 0.00 H ATOM 933 N PRO A 130 -43.178 -13.034 8.088 1.00 60.79 N ATOM 934 CA PRO A 130 -41.764 -12.792 7.696 1.00 58.45 C ATOM 935 C PRO A 130 -41.383 -11.326 7.418 1.00 60.91 C ATOM 936 O PRO A 130 -40.211 -10.962 7.578 1.00 59.49 O ATOM 937 CB PRO A 130 -41.578 -13.668 6.462 1.00 60.30 C ATOM 938 CG PRO A 130 -42.961 -13.837 5.913 1.00 65.86 C ATOM 939 CD PRO A 130 -43.916 -13.784 7.057 1.00 62.46 C ATOM 940 N MET A 131 -42.358 -10.482 6.997 1.00 56.30 N ATOM 941 CA MET A 131 -42.103 -9.050 6.815 1.00 53.64 C ATOM 942 C MET A 131 -41.731 -8.419 8.178 1.00 56.48 C ATOM 943 O MET A 131 -40.827 -7.591 8.223 1.00 52.51 O ATOM 944 CB MET A 131 -43.323 -8.312 6.229 1.00 55.07 C ATOM 945 CG MET A 131 -43.691 -8.694 4.819 1.00 56.56 C ATOM 946 SD MET A 131 -42.441 -8.542 3.523 1.00 57.31 S ATOM 947 CE MET A 131 -41.774 -7.059 3.735 1.00 52.39 C ATOM 948 H MET A 131 -43.307 -10.859 6.799 1.00 0.00 H ATOM 949 N HIS A 132 -42.412 -8.827 9.273 1.00 56.45 N ATOM 950 CA HIS A 132 -42.066 -8.331 10.589 1.00 59.66 C ATOM 951 C HIS A 132 -40.714 -8.843 11.029 1.00 62.83 C ATOM 952 O HIS A 132 -39.972 -8.103 11.685 1.00 64.10 O ATOM 953 CB HIS A 132 -43.124 -8.669 11.621 1.00 64.94 C ATOM 954 CG HIS A 132 -44.358 -7.818 11.505 1.00 71.22 C ATOM 955 ND1 HIS A 132 -45.575 -8.362 11.092 1.00 75.95 N ATOM 956 CD2 HIS A 132 -44.537 -6.495 11.761 1.00 72.54 C ATOM 957 CE1 HIS A 132 -46.446 -7.359 11.132 1.00 75.70 C ATOM 958 NE2 HIS A 132 -45.865 -6.218 11.522 1.00 74.32 N ATOM 959 H HIS A 132 -43.194 -9.505 9.169 1.00 0.00 H ATOM 960 N GLN A 133 -40.375 -10.083 10.651 1.00 56.57 N ATOM 961 CA GLN A 133 -39.084 -10.675 10.971 1.00 56.23 C ATOM 962 C GLN A 133 -37.970 -9.959 10.263 1.00 54.70 C ATOM 963 O GLN A 133 -36.968 -9.670 10.894 1.00 53.73 O ATOM 964 CB GLN A 133 -39.049 -12.171 10.669 1.00 60.17 C ATOM 965 CG GLN A 133 -40.026 -12.998 11.507 1.00 95.99 C ATOM 966 CD GLN A 133 -39.871 -14.480 11.219 1.00120.31 C ATOM 967 OE1 GLN A 133 -40.450 -15.020 10.264 1.00113.36 O ATOM 968 NE2 GLN A 133 -39.042 -15.158 12.010 1.00113.62 N ATOM 969 HE22 GLN A 133 -38.571 -14.678 12.803 1.00 0.00 H ATOM 970 HE21 GLN A 133 -38.865 -16.168 11.835 1.00 0.00 H ATOM 971 H GLN A 133 -41.061 -10.645 10.108 1.00 0.00 H ATOM 972 N LEU A 134 -38.143 -9.642 8.969 1.00 50.01 N ATOM 973 CA LEU A 134 -37.171 -8.854 8.182 1.00 47.47 C ATOM 974 C LEU A 134 -36.992 -7.459 8.820 1.00 51.10 C ATOM 975 O LEU A 134 -35.866 -7.005 8.992 1.00 51.49 O ATOM 976 CB LEU A 134 -37.639 -8.702 6.715 1.00 45.82 C ATOM 977 CG LEU A 134 -37.603 -9.963 5.891 1.00 50.50 C ATOM 978 CD1 LEU A 134 -38.306 -9.788 4.600 1.00 51.14 C ATOM 979 CD2 LEU A 134 -36.180 -10.432 5.666 1.00 53.84 C ATOM 980 H LEU A 134 -39.009 -9.969 8.495 1.00 0.00 H ATOM 981 N LEU A 135 -38.105 -6.803 9.194 1.00 46.06 N ATOM 982 CA LEU A 135 -38.072 -5.489 9.796 1.00 44.91 C ATOM 983 C LEU A 135 -37.298 -5.532 11.080 1.00 50.58 C ATOM 984 O LEU A 135 -36.350 -4.764 11.214 1.00 49.65 O ATOM 985 CB LEU A 135 -39.494 -4.935 10.008 1.00 44.53 C ATOM 986 CG LEU A 135 -39.621 -3.553 10.666 1.00 45.86 C ATOM 987 CD1 LEU A 135 -38.927 -2.479 9.849 1.00 44.25 C ATOM 988 CD2 LEU A 135 -41.068 -3.225 10.954 1.00 41.06 C ATOM 989 H LEU A 135 -39.027 -7.260 9.044 1.00 0.00 H ATOM 990 N ARG A 136 -37.662 -6.451 12.013 1.00 50.09 N ATOM 991 CA ARG A 136 -36.970 -6.597 13.309 1.00 51.05 C ATOM 992 C ARG A 136 -35.479 -6.842 13.119 1.00 51.60 C ATOM 993 O ARG A 136 -34.675 -6.325 13.877 1.00 50.90 O ATOM 994 CB ARG A 136 -37.599 -7.695 14.175 1.00 54.10 C ATOM 995 H ARG A 136 -38.464 -7.080 11.805 1.00 0.00 H ATOM 996 N HIS A 137 -35.110 -7.558 12.066 1.00 47.28 N ATOM 997 CA HIS A 137 -33.712 -7.792 11.768 1.00 49.07 C ATOM 998 C HIS A 137 -32.976 -6.529 11.372 1.00 55.92 C ATOM 999 O HIS A 137 -31.886 -6.304 11.876 1.00 58.63 O ATOM 1000 CB HIS A 137 -33.563 -8.829 10.672 1.00 50.12 C ATOM 1001 CG HIS A 137 -32.162 -8.968 10.151 1.00 55.32 C ATOM 1002 ND1 HIS A 137 -31.221 -9.756 10.801 1.00 59.52 N ATOM 1003 CD2 HIS A 137 -31.602 -8.453 9.032 1.00 56.98 C ATOM 1004 CE1 HIS A 137 -30.118 -9.658 10.080 1.00 59.80 C ATOM 1005 NE2 HIS A 137 -30.302 -8.899 8.998 1.00 58.70 N ATOM 1006 H HIS A 137 -35.839 -7.959 11.442 1.00 0.00 H ATOM 1007 N PHE A 138 -33.548 -5.713 10.466 1.00 51.74 N ATOM 1008 CA PHE A 138 -32.867 -4.514 9.976 1.00 51.49 C ATOM 1009 C PHE A 138 -32.869 -3.377 10.963 1.00 56.83 C ATOM 1010 O PHE A 138 -31.894 -2.623 11.013 1.00 56.40 O ATOM 1011 CB PHE A 138 -33.365 -4.088 8.601 1.00 51.78 C ATOM 1012 CG PHE A 138 -32.891 -5.062 7.547 1.00 54.16 C ATOM 1013 CD1 PHE A 138 -31.532 -5.256 7.316 1.00 57.68 C ATOM 1014 CD2 PHE A 138 -33.799 -5.819 6.816 1.00 55.98 C ATOM 1015 CE1 PHE A 138 -31.099 -6.170 6.371 1.00 59.50 C ATOM 1016 CE2 PHE A 138 -33.358 -6.732 5.857 1.00 59.12 C ATOM 1017 CZ PHE A 138 -32.011 -6.903 5.649 1.00 58.18 C ATOM 1018 H PHE A 138 -34.497 -5.941 10.106 1.00 0.00 H ATOM 1019 N GLN A 139 -33.903 -3.300 11.808 1.00 54.83 N ATOM 1020 CA GLN A 139 -33.957 -2.330 12.891 1.00 54.70 C ATOM 1021 C GLN A 139 -32.764 -2.449 13.820 1.00 55.51 C ATOM 1022 O GLN A 139 -32.269 -1.416 14.233 1.00 54.62 O ATOM 1023 CB GLN A 139 -35.255 -2.465 13.671 1.00 56.81 C ATOM 1024 CG GLN A 139 -36.437 -1.780 12.957 1.00 69.89 C ATOM 1025 CD GLN A 139 -37.753 -1.983 13.674 1.00 87.70 C ATOM 1026 OE1 GLN A 139 -37.908 -2.838 14.573 1.00 80.34 O ATOM 1027 NE2 GLN A 139 -38.749 -1.218 13.259 1.00 81.30 N ATOM 1028 HE22 GLN A 139 -38.588 -0.516 12.509 1.00 0.00 H ATOM 1029 HE21 GLN A 139 -39.693 -1.319 13.683 1.00 0.00 H ATOM 1030 H GLN A 139 -34.699 -3.959 11.686 1.00 0.00 H ATOM 1031 N LYS A 140 -32.237 -3.676 14.069 1.00 53.27 N ATOM 1032 CA LYS A 140 -31.052 -3.880 14.941 1.00 55.22 C ATOM 1033 C LYS A 140 -29.788 -3.271 14.358 1.00 65.28 C ATOM 1034 O LYS A 140 -29.026 -2.592 15.060 1.00 67.21 O ATOM 1035 CB LYS A 140 -30.824 -5.345 15.280 1.00 55.27 C ATOM 1036 CG LYS A 140 -32.050 -6.010 15.787 1.00 48.41 C ATOM 1037 CD LYS A 140 -31.730 -7.260 16.548 1.00 46.88 C ATOM 1038 CE LYS A 140 -31.909 -8.514 15.763 1.00 56.67 C ATOM 1039 NZ LYS A 140 -31.806 -9.687 16.674 1.00 70.93 N ATOM 1040 HZ1 LYS A 140 -30.870 -9.691 17.127 1.00 0.00 H ATOM 1041 HZ2 LYS A 140 -32.545 -9.624 17.403 1.00 0.00 H ATOM 1042 HZ3 LYS A 140 -31.931 -10.562 16.126 1.00 0.00 H ATOM 1043 H LYS A 140 -32.682 -4.508 13.631 1.00 0.00 H ATOM 1044 N ASP A 141 -29.592 -3.485 13.060 1.00 64.83 N ATOM 1045 CA ASP A 141 -28.457 -2.933 12.348 1.00 67.38 C ATOM 1046 C ASP A 141 -28.748 -2.865 10.868 1.00 68.59 C ATOM 1047 O ASP A 141 -28.835 -3.905 10.203 1.00 67.58 O ATOM 1048 CB ASP A 141 -27.179 -3.716 12.650 1.00 73.38 C ATOM 1049 CG ASP A 141 -26.006 -3.301 11.794 1.00 89.73 C ATOM 1050 OD1 ASP A 141 -25.592 -2.134 11.894 1.00 89.25 O ATOM 1051 OD2 ASP A 141 -25.505 -4.154 11.014 1.00 99.45 O ATOM 1052 H ASP A 141 -30.277 -4.068 12.538 1.00 0.00 H ATOM 1053 N ALA A 142 -28.924 -1.623 10.376 1.00 62.96 N ATOM 1054 CA ALA A 142 -29.234 -1.338 8.994 1.00 61.97 C ATOM 1055 C ALA A 142 -27.981 -1.010 8.199 1.00 71.93 C ATOM 1056 O ALA A 142 -28.079 -0.563 7.051 1.00 71.97 O ATOM 1057 CB ALA A 142 -30.194 -0.189 8.935 1.00 60.60 C ATOM 1058 H ALA A 142 -28.831 -0.821 11.031 1.00 0.00 H ATOM 1059 N LYS A 143 -26.797 -1.241 8.796 1.00 71.10 N ATOM 1060 CA LYS A 143 -25.546 -0.948 8.119 1.00 72.98 C ATOM 1061 C LYS A 143 -25.421 -1.768 6.850 1.00 74.30 C ATOM 1062 O LYS A 143 -25.155 -1.198 5.807 1.00 72.74 O ATOM 1063 CB LYS A 143 -24.349 -1.125 9.063 1.00 79.01 C ATOM 1064 CG LYS A 143 -23.001 -0.780 8.455 1.00 86.33 C ATOM 1065 CD LYS A 143 -22.029 -0.417 9.549 1.00 87.83 C ATOM 1066 CE LYS A 143 -20.606 -0.692 9.171 1.00 99.03 C ATOM 1067 NZ LYS A 143 -20.088 0.341 8.247 1.00104.41 N ATOM 1068 HZ1 LYS A 143 -20.665 0.352 7.382 1.00 0.00 H ATOM 1069 HZ2 LYS A 143 -20.135 1.272 8.708 1.00 0.00 H ATOM 1070 HZ3 LYS A 143 -19.101 0.123 8.004 1.00 0.00 H ATOM 1071 H LYS A 143 -26.778 -1.636 9.758 1.00 0.00 H ATOM 1072 N VAL A 144 -25.668 -3.079 6.919 1.00 72.12 N ATOM 1073 CA VAL A 144 -25.536 -3.934 5.728 1.00 73.87 C ATOM 1074 C VAL A 144 -26.627 -3.616 4.702 1.00 76.07 C ATOM 1075 O VAL A 144 -26.353 -3.560 3.499 1.00 76.21 O ATOM 1076 CB VAL A 144 -25.457 -5.436 6.066 1.00 77.71 C ATOM 1077 CG1 VAL A 144 -25.486 -6.283 4.806 1.00 77.54 C ATOM 1078 CG2 VAL A 144 -24.206 -5.739 6.880 1.00 80.95 C ATOM 1079 H VAL A 144 -25.957 -3.501 7.825 1.00 0.00 H ATOM 1080 N LEU A 145 -27.855 -3.383 5.192 1.00 69.58 N ATOM 1081 CA LEU A 145 -28.986 -2.986 4.351 1.00 66.80 C ATOM 1082 C LEU A 145 -28.648 -1.717 3.557 1.00 70.97 C ATOM 1083 O LEU A 145 -28.827 -1.689 2.330 1.00 71.54 O ATOM 1084 CB LEU A 145 -30.230 -2.736 5.215 1.00 63.47 C ATOM 1085 CG LEU A 145 -31.456 -2.144 4.524 1.00 65.73 C ATOM 1086 CD1 LEU A 145 -32.002 -3.081 3.463 1.00 64.55 C ATOM 1087 CD2 LEU A 145 -32.528 -1.791 5.550 1.00 68.08 C ATOM 1088 H LEU A 145 -28.010 -3.489 6.215 1.00 0.00 H ATOM 1089 N PHE A 146 -28.145 -0.684 4.265 1.00 64.11 N ATOM 1090 CA PHE A 146 -27.812 0.580 3.666 1.00 63.65 C ATOM 1091 C PHE A 146 -26.632 0.494 2.691 1.00 72.27 C ATOM 1092 O PHE A 146 -26.683 1.163 1.663 1.00 74.56 O ATOM 1093 CB PHE A 146 -27.611 1.648 4.745 1.00 64.78 C ATOM 1094 CG PHE A 146 -28.874 2.216 5.384 1.00 63.07 C ATOM 1095 CD1 PHE A 146 -30.113 1.597 5.207 1.00 63.49 C ATOM 1096 CD2 PHE A 146 -28.818 3.350 6.186 1.00 63.03 C ATOM 1097 CE1 PHE A 146 -31.264 2.103 5.831 1.00 60.97 C ATOM 1098 CE2 PHE A 146 -29.972 3.858 6.796 1.00 62.43 C ATOM 1099 CZ PHE A 146 -31.186 3.235 6.613 1.00 58.15 C ATOM 1100 H PHE A 146 -27.992 -0.807 5.286 1.00 0.00 H ATOM 1101 N GLN A 147 -25.600 -0.338 2.968 1.00 70.00 N ATOM 1102 CA GLN A 147 -24.461 -0.485 2.047 1.00 74.36 C ATOM 1103 C GLN A 147 -24.913 -1.153 0.762 1.00 77.74 C ATOM 1104 O GLN A 147 -24.728 -0.606 -0.318 1.00 79.38 O ATOM 1105 CB GLN A 147 -23.340 -1.364 2.643 1.00 78.70 C ATOM 1106 CG GLN A 147 -22.798 -0.944 3.999 1.00 97.28 C ATOM 1107 CD GLN A 147 -21.826 0.191 3.914 1.00109.07 C ATOM 1108 OE1 GLN A 147 -20.966 0.242 3.027 1.00105.18 O ATOM 1109 NE2 GLN A 147 -21.923 1.104 4.875 1.00 96.91 N ATOM 1110 HE22 GLN A 147 -22.664 1.019 5.600 1.00 0.00 H ATOM 1111 HE21 GLN A 147 -21.258 1.903 4.902 1.00 0.00 H ATOM 1112 H GLN A 147 -25.612 -0.886 3.852 1.00 0.00 H ATOM 1113 N ASN A 148 -25.518 -2.340 0.903 1.00 72.58 N ATOM 1114 CA ASN A 148 -25.965 -3.215 -0.171 1.00 72.94 C ATOM 1115 C ASN A 148 -27.060 -2.616 -1.054 1.00 75.34 C ATOM 1116 O ASN A 148 -27.359 -3.164 -2.111 1.00 77.22 O ATOM 1117 CB ASN A 148 -26.442 -4.550 0.424 1.00 73.15 C ATOM 1118 CG ASN A 148 -26.394 -5.732 -0.535 1.00118.28 C ATOM 1119 OD1 ASN A 148 -25.367 -6.000 -1.193 1.00126.30 O ATOM 1120 ND2 ASN A 148 -27.495 -6.496 -0.611 1.00105.85 N ATOM 1121 HD22 ASN A 148 -28.337 -6.251 -0.053 1.00 0.00 H ATOM 1122 HD21 ASN A 148 -27.506 -7.333 -1.228 1.00 0.00 H ATOM 1123 H ASN A 148 -25.685 -2.669 1.876 1.00 0.00 H ATOM 1124 N TRP A 149 -27.660 -1.514 -0.626 1.00 68.83 N ATOM 1125 CA TRP A 149 -28.788 -0.904 -1.316 1.00 66.59 C ATOM 1126 C TRP A 149 -28.408 -0.265 -2.634 1.00 74.47 C ATOM 1127 O TRP A 149 -29.170 -0.346 -3.594 1.00 74.78 O ATOM 1128 CB TRP A 149 -29.513 0.100 -0.387 1.00 61.74 C ATOM 1129 CG TRP A 149 -30.725 0.713 -0.999 1.00 60.97 C ATOM 1130 CD1 TRP A 149 -30.791 1.875 -1.707 1.00 65.74 C ATOM 1131 CD2 TRP A 149 -32.040 0.158 -1.011 1.00 58.17 C ATOM 1132 NE1 TRP A 149 -32.072 2.075 -2.169 1.00 63.70 N ATOM 1133 CE2 TRP A 149 -32.860 1.036 -1.752 1.00 62.28 C ATOM 1134 CE3 TRP A 149 -32.605 -1.015 -0.481 1.00 56.80 C ATOM 1135 CZ2 TRP A 149 -34.218 0.797 -1.944 1.00 60.03 C ATOM 1136 CZ3 TRP A 149 -33.947 -1.258 -0.678 1.00 56.63 C ATOM 1137 CH2 TRP A 149 -34.744 -0.353 -1.387 1.00 58.18 C ATOM 1138 HE1 TRP A 149 -32.389 2.883 -2.741 1.00 0.00 H ATOM 1139 H TRP A 149 -27.309 -1.064 0.243 1.00 0.00 H ATOM 1140 N GLY A 150 -27.253 0.382 -2.655 1.00 74.74 N ATOM 1141 CA GLY A 150 -26.767 1.097 -3.822 1.00 79.06 C ATOM 1142 C GLY A 150 -26.893 2.592 -3.638 1.00 83.99 C ATOM 1143 O GLY A 150 -27.731 3.063 -2.856 1.00 79.94 O ATOM 1144 H GLY A 150 -26.667 0.378 -1.796 1.00 0.00 H ATOM 1145 N ILE A 151 -26.023 3.342 -4.341 1.00 85.23 N ATOM 1146 CA ILE A 151 -26.006 4.804 -4.332 1.00 86.24 C ATOM 1147 C ILE A 151 -26.044 5.336 -5.742 1.00 97.48 C ATOM 1148 O ILE A 151 -25.518 4.695 -6.653 1.00101.27 O ATOM 1149 CB ILE A 151 -24.843 5.407 -3.525 1.00 90.42 C ATOM 1150 CG1 ILE A 151 -23.470 4.988 -4.074 1.00 94.62 C ATOM 1151 CG2 ILE A 151 -24.992 5.085 -2.044 1.00 87.43 C ATOM 1152 CD1 ILE A 151 -22.367 5.988 -3.789 1.00 97.32 C ATOM 1153 H ILE A 151 -25.319 2.850 -4.927 1.00 0.00 H ATOM 1154 N GLU A 152 -26.657 6.507 -5.922 1.00 96.16 N ATOM 1155 CA GLU A 152 -26.837 7.137 -7.218 1.00100.89 C ATOM 1156 C GLU A 152 -26.546 8.616 -7.183 1.00109.68 C ATOM 1157 O GLU A 152 -26.668 9.247 -6.133 1.00105.08 O ATOM 1158 CB GLU A 152 -28.277 6.901 -7.716 1.00100.16 C ATOM 1159 CG GLU A 152 -29.351 7.765 -7.059 1.00106.85 C ATOM 1160 CD GLU A 152 -30.789 7.406 -7.394 1.00113.85 C ATOM 1161 OE1 GLU A 152 -31.015 6.607 -8.334 1.00107.93 O ATOM 1162 OE2 GLU A 152 -31.698 7.938 -6.718 1.00 84.70 O ATOM 1163 H GLU A 152 -27.028 6.998 -5.084 1.00 0.00 H ATOM 1164 N HIS A 153 -26.173 9.177 -8.347 1.00116.15 N ATOM 1165 CA HIS A 153 -25.988 10.614 -8.493 1.00121.29 C ATOM 1166 C HIS A 153 -27.377 11.251 -8.521 1.00123.98 C ATOM 1167 O HIS A 153 -28.354 10.603 -8.933 1.00121.93 O ATOM 1168 CB HIS A 153 -25.232 10.938 -9.774 1.00130.43 C ATOM 1169 CG HIS A 153 -23.790 10.558 -9.726 1.00137.76 C ATOM 1170 ND1 HIS A 153 -22.806 11.497 -9.475 1.00143.91 N ATOM 1171 CD2 HIS A 153 -23.207 9.351 -9.913 1.00140.15 C ATOM 1172 CE1 HIS A 153 -21.661 10.837 -9.518 1.00146.30 C ATOM 1173 NE2 HIS A 153 -21.851 9.543 -9.774 1.00144.44 N ATOM 1174 H HIS A 153 -26.011 8.564 -9.171 1.00 0.00 H ATOM 1175 N ILE A 154 -27.473 12.499 -8.048 1.00120.81 N ATOM 1176 CA ILE A 154 -28.751 13.196 -7.956 1.00119.53 C ATOM 1177 C ILE A 154 -28.735 14.498 -8.755 1.00133.68 C ATOM 1178 O ILE A 154 -27.684 14.943 -9.223 1.00139.27 O ATOM 1179 CB ILE A 154 -29.193 13.400 -6.459 1.00116.47 C ATOM 1180 CG1 ILE A 154 -28.302 14.419 -5.712 1.00117.96 C ATOM 1181 CG2 ILE A 154 -29.245 12.079 -5.700 1.00112.78 C ATOM 1182 CD1 ILE A 154 -28.702 14.757 -4.293 1.00111.64 C ATOM 1183 H ILE A 154 -26.609 12.987 -7.736 1.00 0.00 H ATOM 1184 N ASP A 155 -29.904 15.102 -8.915 1.00132.30 N ATOM 1185 CA ASP A 155 -30.067 16.411 -9.554 1.00138.66 C ATOM 1186 C ASP A 155 -30.368 17.337 -8.388 1.00140.58 C ATOM 1187 O ASP A 155 -30.792 16.835 -7.347 1.00134.59 O ATOM 1188 CB ASP A 155 -31.227 16.362 -10.551 1.00142.81 C ATOM 1189 CG ASP A 155 -31.059 15.248 -11.566 1.00154.66 C ATOM 1190 OD1 ASP A 155 -31.342 14.073 -11.214 1.00149.02 O ATOM 1191 OD2 ASP A 155 -30.571 15.535 -12.681 1.00166.92 O ATOM 1192 H ASP A 155 -30.756 14.618 -8.566 1.00 0.00 H ATOM 1193 N ASN A 156 -30.093 18.628 -8.445 1.00142.46 N ATOM 1194 CA ASN A 156 -30.403 19.216 -7.166 1.00139.01 C ATOM 1195 C ASN A 156 -31.760 19.905 -7.173 1.00144.28 C ATOM 1196 O ASN A 156 -31.880 21.134 -7.333 1.00149.58 O ATOM 1197 CB ASN A 156 -29.279 20.075 -6.562 1.00138.30 C ATOM 1198 CG ASN A 156 -29.093 21.405 -7.193 1.00139.57 C ATOM 1199 OD1 ASN A 156 -29.126 21.541 -8.420 1.00132.63 O ATOM 1200 ND2 ASN A 156 -28.986 22.417 -6.348 1.00124.72 N ATOM 1201 HD22 ASN A 156 -28.963 22.239 -5.324 1.00 0.00 H ATOM 1202 HD21 ASN A 156 -28.925 23.391 -6.708 1.00 0.00 H ATOM 1203 H ASN A 156 -29.717 19.134 -9.272 1.00 0.00 H ATOM 1204 N VAL A 157 -32.802 19.078 -6.958 1.00134.18 N ATOM 1205 CA VAL A 157 -34.124 19.581 -6.669 1.00131.83 C ATOM 1206 C VAL A 157 -33.716 20.159 -5.339 1.00129.41 C ATOM 1207 O VAL A 157 -32.788 19.621 -4.723 1.00126.00 O ATOM 1208 CB VAL A 157 -35.129 18.429 -6.534 1.00131.02 C ATOM 1209 CG1 VAL A 157 -36.441 18.895 -5.904 1.00129.44 C ATOM 1210 CG2 VAL A 157 -35.380 17.798 -7.892 1.00133.40 C ATOM 1211 H VAL A 157 -32.650 18.050 -7.001 1.00 0.00 H ATOM 1212 N MET A 158 -34.216 21.326 -5.001 1.00125.82 N ATOM 1213 CA MET A 158 -33.784 21.998 -3.793 1.00123.53 C ATOM 1214 C MET A 158 -34.822 21.793 -2.723 1.00123.63 C ATOM 1215 O MET A 158 -36.000 21.602 -3.032 1.00125.10 O ATOM 1216 CB MET A 158 -33.527 23.486 -4.077 1.00130.99 C ATOM 1217 CG MET A 158 -32.056 23.888 -4.003 1.00136.72 C ATOM 1218 SD MET A 158 -31.710 25.578 -4.596 1.00148.85 S ATOM 1219 CE MET A 158 -30.882 25.246 -6.147 1.00150.57 C ATOM 1220 H MET A 158 -34.932 21.773 -5.609 1.00 0.00 H ATOM 1221 N GLY A 159 -34.374 21.779 -1.481 1.00114.86 N ATOM 1222 CA GLY A 159 -35.256 21.528 -0.353 1.00109.72 C ATOM 1223 C GLY A 159 -35.303 20.041 -0.119 1.00106.51 C ATOM 1224 O GLY A 159 -35.959 19.554 0.802 1.00101.84 O ATOM 1225 H GLY A 159 -33.364 21.952 -1.305 1.00 0.00 H ATOM 1226 N MET A 160 -34.603 19.319 -0.981 1.00101.48 N ATOM 1227 CA MET A 160 -34.450 17.890 -0.919 1.00 95.18 C ATOM 1228 C MET A 160 -33.007 17.636 -1.042 1.00 95.43 C ATOM 1229 O MET A 160 -32.335 18.216 -1.898 1.00100.16 O ATOM 1230 CB MET A 160 -35.180 17.214 -2.052 1.00 98.09 C ATOM 1231 CG MET A 160 -36.625 17.198 -1.839 1.00100.24 C ATOM 1232 SD MET A 160 -37.330 16.149 -3.081 1.00104.87 S ATOM 1233 CE MET A 160 -39.032 16.363 -2.701 1.00101.01 C ATOM 1234 H MET A 160 -34.130 19.822 -1.759 1.00 0.00 H ATOM 1235 N VAL A 161 -32.507 16.786 -0.166 1.00 84.17 N ATOM 1236 CA VAL A 161 -31.095 16.433 -0.143 1.00 83.34 C ATOM 1237 C VAL A 161 -30.886 14.927 -0.215 1.00 81.85 C ATOM 1238 O VAL A 161 -31.738 14.143 0.202 1.00 76.89 O ATOM 1239 CB VAL A 161 -30.338 17.061 1.057 1.00 86.50 C ATOM 1240 CG1 VAL A 161 -30.268 18.589 0.940 1.00 90.67 C ATOM 1241 CG2 VAL A 161 -30.931 16.617 2.399 1.00 80.90 C ATOM 1242 H VAL A 161 -33.144 16.353 0.533 1.00 0.00 H ATOM 1243 N GLY A 162 -29.746 14.541 -0.745 1.00 79.42 N ATOM 1244 CA GLY A 162 -29.364 13.148 -0.804 1.00 76.32 C ATOM 1245 C GLY A 162 -28.863 12.700 0.547 1.00 74.47 C ATOM 1246 O GLY A 162 -28.386 13.504 1.348 1.00 73.51 O ATOM 1247 H GLY A 162 -29.101 15.259 -1.133 1.00 0.00 H ATOM 1248 N VAL A 163 -28.981 11.422 0.815 1.00 68.43 N ATOM 1249 CA VAL A 163 -28.508 10.884 2.072 1.00 65.49 C ATOM 1250 C VAL A 163 -27.620 9.665 1.781 1.00 69.64 C ATOM 1251 O VAL A 163 -27.961 8.812 0.962 1.00 67.35 O ATOM 1252 CB VAL A 163 -29.675 10.661 3.075 1.00 63.83 C ATOM 1253 CG1 VAL A 163 -30.630 9.572 2.612 1.00 61.02 C ATOM 1254 CG2 VAL A 163 -29.161 10.404 4.476 1.00 61.64 C ATOM 1255 H VAL A 163 -29.419 10.788 0.117 1.00 0.00 H ATOM 1256 N LEU A 164 -26.440 9.647 2.383 1.00 68.60 N ATOM 1257 CA LEU A 164 -25.497 8.568 2.168 1.00 69.45 C ATOM 1258 C LEU A 164 -25.774 7.392 3.122 1.00 70.03 C ATOM 1259 O LEU A 164 -26.423 7.577 4.147 1.00 66.53 O ATOM 1260 CB LEU A 164 -24.056 9.095 2.319 1.00 73.56 C ATOM 1261 CG LEU A 164 -23.547 10.031 1.251 1.00 82.29 C ATOM 1262 CD1 LEU A 164 -22.205 10.605 1.650 1.00 86.55 C ATOM 1263 CD2 LEU A 164 -23.494 9.340 -0.120 1.00 86.59 C ATOM 1264 H LEU A 164 -26.185 10.425 3.024 1.00 0.00 H ATOM 1265 N PRO A 165 -25.273 6.178 2.803 1.00 67.54 N ATOM 1266 CA PRO A 165 -25.513 5.013 3.672 1.00 64.53 C ATOM 1267 C PRO A 165 -25.244 5.207 5.153 1.00 69.43 C ATOM 1268 O PRO A 165 -25.865 4.516 5.963 1.00 68.47 O ATOM 1269 CB PRO A 165 -24.599 3.952 3.078 1.00 68.56 C ATOM 1270 CG PRO A 165 -24.556 4.289 1.621 1.00 75.37 C ATOM 1271 CD PRO A 165 -24.513 5.788 1.596 1.00 72.73 C ATOM 1272 N ASP A 166 -24.369 6.157 5.520 1.00 67.10 N ATOM 1273 CA ASP A 166 -24.080 6.425 6.927 1.00 66.22 C ATOM 1274 C ASP A 166 -24.894 7.597 7.468 1.00 69.51 C ATOM 1275 O ASP A 166 -24.563 8.157 8.519 1.00 70.39 O ATOM 1276 CB ASP A 166 -22.587 6.680 7.106 1.00 72.05 C ATOM 1277 CG ASP A 166 -22.149 8.014 6.560 1.00 79.93 C ATOM 1278 OD1 ASP A 166 -22.683 8.432 5.523 1.00 80.75 O ATOM 1279 OD2 ASP A 166 -21.290 8.648 7.182 1.00 83.69 O ATOM 1280 H ASP A 166 -23.886 6.714 4.787 1.00 0.00 H ATOM 1281 N MET A 167 -25.944 7.976 6.734 1.00 64.39 N ATOM 1282 CA MET A 167 -26.887 9.064 7.027 1.00 62.09 C ATOM 1283 C MET A 167 -26.292 10.495 6.930 1.00 68.19 C ATOM 1284 O MET A 167 -26.931 11.454 7.373 1.00 66.75 O ATOM 1285 CB MET A 167 -27.597 8.850 8.358 1.00 61.12 C ATOM 1286 CG MET A 167 -28.580 7.709 8.346 1.00 60.92 C ATOM 1287 SD MET A 167 -29.809 7.817 7.010 1.00 63.28 S ATOM 1288 CE MET A 167 -30.871 9.123 7.565 1.00 59.31 C ATOM 1289 H MET A 167 -26.113 7.442 5.858 1.00 0.00 H ATOM 1290 N THR A 168 -25.121 10.650 6.292 1.00 67.47 N ATOM 1291 CA THR A 168 -24.575 11.989 6.044 1.00 69.31 C ATOM 1292 C THR A 168 -25.370 12.575 4.887 1.00 70.71 C ATOM 1293 O THR A 168 -25.630 11.880 3.891 1.00 69.60 O ATOM 1294 CB THR A 168 -23.101 11.944 5.623 1.00 79.15 C ATOM 1295 OG1 THR A 168 -22.438 10.975 6.408 1.00 82.70 O ATOM 1296 CG2 THR A 168 -22.397 13.250 5.819 1.00 82.77 C ATOM 1297 HG1 THR A 168 -22.858 10.090 6.262 1.00 0.00 H ATOM 1298 H THR A 168 -24.595 9.812 5.970 1.00 0.00 H ATOM 1299 N PRO A 169 -25.768 13.850 4.984 1.00 67.71 N ATOM 1300 CA PRO A 169 -26.443 14.464 3.840 1.00 69.17 C ATOM 1301 C PRO A 169 -25.441 14.829 2.736 1.00 77.96 C ATOM 1302 O PRO A 169 -24.285 15.153 3.020 1.00 80.06 O ATOM 1303 CB PRO A 169 -27.121 15.693 4.436 1.00 70.47 C ATOM 1304 CG PRO A 169 -26.392 15.984 5.664 1.00 74.72 C ATOM 1305 CD PRO A 169 -25.618 14.804 6.103 1.00 69.36 C ATOM 1306 N SER A 170 -25.872 14.714 1.478 1.00 76.37 N ATOM 1307 CA SER A 170 -25.055 15.039 0.322 1.00 82.38 C ATOM 1308 C SER A 170 -25.917 15.719 -0.712 1.00 90.53 C ATOM 1309 O SER A 170 -27.122 15.443 -0.778 1.00 86.36 O ATOM 1310 CB SER A 170 -24.418 13.787 -0.279 1.00 85.15 C ATOM 1311 OG SER A 170 -23.416 14.090 -1.239 1.00100.27 O ATOM 1312 HG SER A 170 -23.037 13.248 -1.596 1.00 0.00 H ATOM 1313 H SER A 170 -26.842 14.375 1.317 1.00 0.00 H ATOM 1314 N THR A 171 -25.316 16.628 -1.504 1.00 93.43 N ATOM 1315 CA THR A 171 -26.064 17.276 -2.570 1.00 96.79 C ATOM 1316 C THR A 171 -25.730 16.631 -3.932 1.00109.97 C ATOM 1317 O THR A 171 -26.329 16.997 -4.944 1.00113.74 O ATOM 1318 CB THR A 171 -25.890 18.789 -2.521 1.00 98.96 C ATOM 1319 OG1 THR A 171 -24.504 19.101 -2.495 1.00104.35 O ATOM 1320 CG2 THR A 171 -26.552 19.406 -1.333 1.00 89.73 C ATOM 1321 HG1 THR A 171 -24.071 18.743 -3.310 1.00 0.00 H ATOM 1322 H THR A 171 -24.315 16.867 -1.353 1.00 0.00 H ATOM 1323 N GLU A 172 -24.790 15.661 -3.947 1.00108.97 N ATOM 1324 CA GLU A 172 -24.353 14.985 -5.167 1.00113.56 C ATOM 1325 C GLU A 172 -24.889 13.585 -5.277 1.00116.01 C ATOM 1326 O GLU A 172 -25.242 13.156 -6.384 1.00118.55 O ATOM 1327 CB GLU A 172 -22.818 14.914 -5.260 1.00119.73 C ATOM 1328 CG GLU A 172 -22.136 16.221 -5.627 1.00131.98 C ATOM 1329 CD GLU A 172 -21.809 17.109 -4.444 1.00148.65 C ATOM 1330 OE1 GLU A 172 -20.979 18.027 -4.623 1.00140.80 O ATOM 1331 OE2 GLU A 172 -22.354 16.882 -3.338 1.00151.66 O ATOM 1332 H GLU A 172 -24.355 15.381 -3.045 1.00 0.00 H ATOM 1333 N MET A 173 -24.903 12.843 -4.151 1.00107.28 N ATOM 1334 CA MET A 173 -25.264 11.431 -4.165 1.00102.86 C ATOM 1335 C MET A 173 -26.175 11.003 -3.056 1.00 98.64 C ATOM 1336 O MET A 173 -26.106 11.527 -1.957 1.00 96.85 O ATOM 1337 CB MET A 173 -23.995 10.573 -4.155 1.00107.60 C ATOM 1338 CG MET A 173 -23.046 10.887 -5.305 1.00119.03 C ATOM 1339 SD MET A 173 -22.082 9.487 -5.886 1.00126.37 S ATOM 1340 CE MET A 173 -23.372 8.366 -6.407 1.00118.78 C ATOM 1341 H MET A 173 -24.649 13.291 -3.247 1.00 0.00 H ATOM 1342 N SER A 174 -27.023 10.026 -3.340 1.00 91.02 N ATOM 1343 CA SER A 174 -27.947 9.474 -2.364 1.00 84.13 C ATOM 1344 C SER A 174 -28.164 7.984 -2.603 1.00 84.80 C ATOM 1345 O SER A 174 -27.910 7.481 -3.697 1.00 88.19 O ATOM 1346 CB SER A 174 -29.287 10.187 -2.457 1.00 85.13 C ATOM 1347 OG SER A 174 -30.037 9.948 -1.279 1.00 86.43 O ATOM 1348 HG SER A 174 -30.908 10.414 -1.344 1.00 0.00 H ATOM 1349 H SER A 174 -27.028 9.637 -4.304 1.00 0.00 H ATOM 1350 N MET A 175 -28.665 7.279 -1.594 1.00 74.34 N ATOM 1351 CA MET A 175 -29.059 5.898 -1.771 1.00 70.87 C ATOM 1352 C MET A 175 -30.210 5.903 -2.785 1.00 74.57 C ATOM 1353 O MET A 175 -31.064 6.796 -2.729 1.00 73.14 O ATOM 1354 CB MET A 175 -29.532 5.324 -0.446 1.00 68.40 C ATOM 1355 CG MET A 175 -28.430 5.187 0.560 1.00 71.80 C ATOM 1356 SD MET A 175 -29.041 4.796 2.213 1.00 71.61 S ATOM 1357 CE MET A 175 -29.205 3.132 2.005 1.00 67.79 C ATOM 1358 H MET A 175 -28.776 7.727 -0.662 1.00 0.00 H ATOM 1359 N ARG A 176 -30.191 4.959 -3.744 1.00 72.61 N ATOM 1360 CA ARG A 176 -31.199 4.840 -4.815 1.00 72.74 C ATOM 1361 C ARG A 176 -32.606 5.232 -4.383 1.00 69.10 C ATOM 1362 O ARG A 176 -33.175 4.616 -3.490 1.00 64.33 O ATOM 1363 CB ARG A 176 -31.292 3.403 -5.328 1.00 72.88 C ATOM 1364 CG ARG A 176 -30.281 2.964 -6.347 1.00 86.36 C ATOM 1365 CD ARG A 176 -30.720 1.608 -6.908 1.00 93.43 C ATOM 1366 NE ARG A 176 -30.913 0.589 -5.869 1.00 83.15 N ATOM 1367 CZ ARG A 176 -32.093 0.140 -5.440 1.00 78.18 C ATOM 1368 NH1 ARG A 176 -33.226 0.620 -5.953 1.00 52.81 N ATOM 1369 NH2 ARG A 176 -32.149 -0.782 -4.488 1.00 49.89 N ATOM 1370 HE ARG A 176 -30.060 0.185 -5.432 1.00 0.00 H ATOM 1371 HH12 ARG A 176 -34.142 0.265 -5.613 1.00 0.00 H ATOM 1372 HH11 ARG A 176 -33.194 1.350 -6.693 1.00 0.00 H ATOM 1373 HH22 ARG A 176 -33.071 -1.131 -4.155 1.00 0.00 H ATOM 1374 HH21 ARG A 176 -31.271 -1.156 -4.074 1.00 0.00 H ATOM 1375 H ARG A 176 -29.414 4.267 -3.729 1.00 0.00 H ATOM 1376 N GLY A 177 -33.147 6.235 -5.037 1.00 66.09 N ATOM 1377 CA GLY A 177 -34.505 6.693 -4.814 1.00 64.61 C ATOM 1378 C GLY A 177 -34.812 7.392 -3.508 1.00 67.99 C ATOM 1379 O GLY A 177 -35.959 7.783 -3.307 1.00 68.49 O ATOM 1380 H GLY A 177 -32.572 6.726 -5.751 1.00 0.00 H ATOM 1381 N ILE A 178 -33.817 7.570 -2.613 1.00 62.13 N ATOM 1382 CA ILE A 178 -34.034 8.189 -1.309 1.00 58.37 C ATOM 1383 C ILE A 178 -33.733 9.683 -1.320 1.00 68.35 C ATOM 1384 O ILE A 178 -32.603 10.088 -1.575 1.00 71.16 O ATOM 1385 CB ILE A 178 -33.223 7.481 -0.201 1.00 57.41 C ATOM 1386 CG1 ILE A 178 -33.290 5.923 -0.316 1.00 55.20 C ATOM 1387 CG2 ILE A 178 -33.609 7.987 1.184 1.00 54.27 C ATOM 1388 CD1 ILE A 178 -34.536 5.222 0.182 1.00 54.59 C ATOM 1389 H ILE A 178 -32.858 7.254 -2.862 1.00 0.00 H ATOM 1390 N ARG A 179 -34.736 10.493 -0.985 1.00 65.49 N ATOM 1391 CA ARG A 179 -34.577 11.938 -0.823 1.00 67.56 C ATOM 1392 C ARG A 179 -35.062 12.382 0.568 1.00 66.00 C ATOM 1393 O ARG A 179 -36.042 11.848 1.073 1.00 62.54 O ATOM 1394 CB ARG A 179 -35.302 12.722 -1.937 1.00 72.63 C ATOM 1395 CG ARG A 179 -34.833 12.432 -3.356 1.00 82.73 C ATOM 1396 CD ARG A 179 -33.328 12.563 -3.501 1.00 91.94 C ATOM 1397 NE ARG A 179 -32.839 12.296 -4.861 1.00108.14 N ATOM 1398 CZ ARG A 179 -32.660 11.089 -5.400 1.00120.40 C ATOM 1399 NH1 ARG A 179 -32.979 9.995 -4.722 1.00103.15 N ATOM 1400 NH2 ARG A 179 -32.180 10.972 -6.628 1.00112.74 N ATOM 1401 HE ARG A 179 -32.613 13.119 -5.455 1.00 0.00 H ATOM 1402 HH12 ARG A 179 -32.836 9.058 -5.150 1.00 0.00 H ATOM 1403 HH11 ARG A 179 -33.372 10.074 -3.762 1.00 0.00 H ATOM 1404 HH22 ARG A 179 -32.042 10.029 -7.045 1.00 0.00 H ATOM 1405 HH21 ARG A 179 -31.941 11.823 -7.176 1.00 0.00 H ATOM 1406 H ARG A 179 -35.677 10.078 -0.831 1.00 0.00 H ATOM 1407 N VAL A 180 -34.378 13.363 1.175 1.00 61.80 N ATOM 1408 CA VAL A 180 -34.723 13.940 2.496 1.00 58.00 C ATOM 1409 C VAL A 180 -35.296 15.364 2.309 1.00 66.24 C ATOM 1410 O VAL A 180 -34.653 16.229 1.710 1.00 70.25 O ATOM 1411 CB VAL A 180 -33.529 13.942 3.482 1.00 58.06 C ATOM 1412 CG1 VAL A 180 -33.885 14.666 4.757 1.00 56.85 C ATOM 1413 CG2 VAL A 180 -33.051 12.532 3.795 1.00 54.34 C ATOM 1414 H VAL A 180 -33.546 13.746 0.683 1.00 0.00 H ATOM 1415 N SER A 181 -36.496 15.598 2.822 1.00 60.99 N ATOM 1416 CA SER A 181 -37.163 16.876 2.773 1.00 62.66 C ATOM 1417 C SER A 181 -37.066 17.563 4.145 1.00 68.63 C ATOM 1418 O SER A 181 -37.072 16.900 5.188 1.00 64.36 O ATOM 1419 CB SER A 181 -38.618 16.660 2.378 1.00 66.48 C ATOM 1420 OG SER A 181 -39.386 17.847 2.497 1.00 88.26 O ATOM 1421 HG SER A 181 -39.364 18.160 3.436 1.00 0.00 H ATOM 1422 H SER A 181 -36.988 14.810 3.290 1.00 0.00 H ATOM 1423 N LYS A 182 -37.004 18.915 4.147 1.00 71.78 N ATOM 1424 CA LYS A 182 -37.035 19.730 5.374 1.00 71.52 C ATOM 1425 C LYS A 182 -38.444 19.666 6.022 1.00 77.48 C ATOM 1426 O LYS A 182 -39.460 19.742 5.318 1.00 78.87 O ATOM 1427 CB LYS A 182 -36.722 21.186 5.058 1.00 76.55 C ATOM 1428 CG LYS A 182 -35.268 21.540 5.111 1.00 86.27 C ATOM 1429 CD LYS A 182 -34.731 21.747 3.717 1.00 94.72 C ATOM 1430 CE LYS A 182 -33.372 22.413 3.729 1.00105.99 C ATOM 1431 NZ LYS A 182 -32.456 21.855 2.689 1.00111.90 N ATOM 1432 HZ1 LYS A 182 -32.318 20.838 2.860 1.00 0.00 H ATOM 1433 HZ2 LYS A 182 -32.875 21.996 1.748 1.00 0.00 H ATOM 1434 HZ3 LYS A 182 -31.539 22.344 2.738 1.00 0.00 H ATOM 1435 H LYS A 182 -36.930 19.405 3.233 1.00 0.00 H ATOM 1436 N MET A 183 -38.495 19.543 7.359 1.00 73.77 N ATOM 1437 CA MET A 183 -39.735 19.514 8.140 1.00106.58 C ATOM 1438 C MET A 183 -40.489 20.839 8.049 1.00113.23 C ATOM 1439 O MET A 183 -41.102 21.165 7.036 1.00 86.17 O ATOM 1440 CB MET A 183 -39.400 19.250 9.605 1.00107.37 C ATOM 1441 CG MET A 183 -39.654 17.852 10.045 1.00108.40 C ATOM 1442 SD MET A 183 -39.958 17.892 11.823 1.00112.96 S ATOM 1443 CE MET A 183 -40.984 16.407 11.987 1.00108.45 C ATOM 1444 H MET A 183 -37.595 19.463 7.874 1.00 0.00 H TER 1445 MET A 183 HETATM 1446 O HOH 1 -44.132 -5.661 -3.738 1.00 46.38 O HETATM 1447 O HOH 2 -46.755 -8.778 2.261 1.00 51.44 O HETATM 1448 O HOH 3 -30.611 -15.966 6.073 1.00 54.80 O HETATM 1449 O HOH 4 -50.685 7.274 6.025 1.00 72.14 O HETATM 1450 O HOH 5 -55.202 -3.792 -3.749 1.00 53.17 O HETATM 1451 O HOH 6 -30.224 23.618 4.362 1.00 49.21 O HETATM 1452 F2 UNN A 7 -52.765 -4.431 5.441 1.00 -0.18 F HETATM 1453 C9 UNN A 7 -51.965 -4.263 4.366 1.00 0.19 C HETATM 1454 C10 UNN A 7 -52.431 -3.521 3.287 1.00 0.04 C HETATM 1455 N2 UNN A 7 -51.682 -3.295 2.203 1.00 -0.30 N HETATM 1456 C11 UNN A 7 -50.496 -3.796 2.214 1.00 0.08 C HETATM 1457 N3 UNN A 7 -49.943 -4.532 3.174 1.00 -0.27 N HETATM 1458 C8 UNN A 7 -50.659 -4.794 4.273 1.00 0.15 C HETATM 1459 N1 UNN A 7 -50.021 -5.564 5.169 1.00 -0.30 N HETATM 1460 C5 UNN A 7 -48.677 -6.115 5.033 1.00 0.06 C HETATM 1461 C6 UNN A 7 -48.854 -7.652 5.066 1.00 0.02 C HETATM 1462 C7 UNN A 7 -49.735 -8.060 3.916 1.00 0.04 C HETATM 1463 O2 UNN A 7 -50.992 -8.153 4.230 1.00 -0.57 O HETATM 1464 O1 UNN A 7 -49.306 -8.276 2.806 1.00 -0.57 O HETATM 1465 H4 UNN A 7 -49.322 -7.951 6.015 1.00 0.05 H HETATM 1466 H5 UNN A 7 -47.873 -8.140 4.972 1.00 0.05 H HETATM 1467 C2 UNN A 7 -47.731 -5.628 6.152 1.00 -0.01 C HETATM 1468 C4 UNN A 7 -46.403 -6.378 6.076 1.00 -0.06 C HETATM 1469 H6 UNN A 7 -45.736 -6.025 6.876 1.00 0.02 H HETATM 1470 H7 UNN A 7 -45.933 -6.193 5.099 1.00 0.02 H HETATM 1471 H8 UNN A 7 -46.583 -7.456 6.198 1.00 0.02 H HETATM 1472 C3 UNN A 7 -47.465 -4.132 5.993 1.00 -0.06 C HETATM 1473 H9 UNN A 7 -48.416 -3.583 6.046 1.00 0.02 H HETATM 1474 H10 UNN A 7 -46.988 -3.946 5.019 1.00 0.02 H HETATM 1475 H11 UNN A 7 -46.799 -3.790 6.799 1.00 0.02 H HETATM 1476 C1 UNN A 7 -48.365 -5.878 7.519 1.00 -0.06 C HETATM 1477 H12 UNN A 7 -48.560 -6.954 7.642 1.00 0.02 H HETATM 1478 H13 UNN A 7 -49.312 -5.323 7.591 1.00 0.02 H HETATM 1479 H14 UNN A 7 -47.680 -5.537 8.309 1.00 0.02 H HETATM 1480 H3 UNN A 7 -48.252 -5.812 4.065 1.00 0.06 H HETATM 1481 H2 UNN A 7 -50.530 -5.787 6.036 1.00 0.18 H HETATM 1482 C12 UNN A 7 -49.694 -3.531 1.066 1.00 0.03 C HETATM 1483 C15 UNN A 7 -48.310 -3.924 0.772 1.00 0.02 C HETATM 1484 C16 UNN A 7 -47.354 -4.613 1.512 1.00 -0.02 C HETATM 1485 C17 UNN A 7 -46.123 -4.788 0.941 1.00 0.14 C HETATM 1486 F1 UNN A 7 -45.172 -5.445 1.652 1.00 -0.18 F HETATM 1487 C18 UNN A 7 -45.856 -4.282 -0.370 1.00 0.03 C HETATM 1488 N5 UNN A 7 -46.786 -3.626 -1.070 1.00 -0.28 N HETATM 1489 C14 UNN A 7 -47.983 -3.457 -0.491 1.00 0.14 C HETATM 1490 N4 UNN A 7 -49.063 -2.803 -1.004 1.00 -0.26 N HETATM 1491 C13 UNN A 7 -50.075 -2.845 -0.083 1.00 0.05 C HETATM 1492 H18 UNN A 7 -51.056 -2.397 -0.231 1.00 0.11 H HETATM 1493 H17 UNN A 7 -49.110 -2.353 -1.929 1.00 0.24 H HETATM 1494 H16 UNN A 7 -44.875 -4.434 -0.806 1.00 0.07 H HETATM 1495 H15 UNN A 7 -47.576 -4.996 2.502 1.00 0.07 H HETATM 1496 H1 UNN A 7 -53.434 -3.112 3.326 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 920 921 930 931 932 CONECT 930 920 CONECT 931 920 CONECT 932 920 CONECT 1452 1453 CONECT 1453 1452 1454 1458 CONECT 1454 1453 1455 1496 CONECT 1455 1454 1456 CONECT 1456 1455 1457 1482 CONECT 1457 1456 1458 CONECT 1458 1453 1457 1459 CONECT 1459 1458 1460 1481 CONECT 1460 1459 1461 1467 1480 CONECT 1461 1460 1462 1465 1466 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1461 CONECT 1466 1461 CONECT 1467 1460 1468 1472 1476 CONECT 1468 1467 1469 1470 1471 CONECT 1469 1468 CONECT 1470 1468 CONECT 1471 1468 CONECT 1472 1467 1473 1474 1475 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1472 CONECT 1476 1467 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1460 CONECT 1481 1459 CONECT 1482 1456 1483 1491 CONECT 1483 1482 1484 1489 CONECT 1484 1483 1485 1495 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1494 CONECT 1488 1487 1489 CONECT 1489 1483 1488 1490 CONECT 1490 1489 1491 1493 CONECT 1491 1482 1490 1492 CONECT 1492 1491 CONECT 1493 1490 CONECT 1494 1487 CONECT 1495 1484 CONECT 1496 1454 MASTER 0 0 0 0 0 0 0 0 1494 2 53 13 END
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Structure:
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Related entries of code: 5jur
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ncm
RCSB PDB
PDBbind
169aa, >4NCM_1|Chain... at 97%
4p1u
RCSB PDB
PDBbind
169aa, >4P1U_1|Chain... at 97%
5wl0
RCSB PDB
PDBbind
510aa, >5WL0_1|Chain... *
6euv
RCSB PDB
PDBbind
290aa, >6EUV_1|Chains... at 100%
6euw
RCSB PDB
PDBbind
163aa, >6EUW_1|Chain... at 92%
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
5jur
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase basic protein 2
Ligand Name
6NS
EC.Number
E.C.-.-.-.-
Resolution
2.93(Å)
Affinity (Kd/Ki/IC50)
Kd=0.003uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ACS Med Chem Lett Vol. 8: pp. 256-260
Ligand Properties
Formula
C
1
8
H
1
9
F
2
N
5
O
2
Molecular Weight
375.373
Exact Mass
375.151
No. of atoms
46
No. of bonds
48
Polar Surface Area
103.79
LOGP Value
5.06 (
Computed with XLOGP3
)
3.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
OC(=O)C[C@H](C(C)(C)C)Nc1nc(ncc1F)c1c[nH]c2c1cc(F)cn2
InChI String
InChI=1S/C18H19F2N5O2/c1-18(2,3)13(5-14(26)27)24-17-12(20)8-23-16(25-17)11-7-22-15-10(11)4-9(19)6-21-15/h4,6-8,13H,5H2,1-3H3,(H,21,22)(H,26,27)(H,23,24,25)/t13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q30NP1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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