Browse entries in the PDBbind-CN Database
HEADER 4RRF_COMPLEX COMPND 4RRF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET LYS MET LEU LEU ILE HIS SER ASP TYR LEU GLU PHE SEQRES 2 A 138 GLU ALA LYS GLU LYS THR LYS ILE ALA GLU GLU THR GLU SEQRES 3 A 138 ASN LEU LYS GLY LYS LEU ASP GLU CYS LEU ALA CYS PHE SEQRES 4 A 138 ILE ALA VAL GLU ARG GLU ASP GLU ASN ASN PRO GLU GLY SEQRES 5 A 138 THR ALA ILE GLY ALA VAL GLU GLU ILE GLU LYS VAL ALA SEQRES 6 A 138 ASN GLN LEU LYS VAL ASN ASN ILE VAL VAL TYR PRO TYR SEQRES 7 A 138 ALA HIS LEU SER SER ASP LEU SER SER PRO GLU THR ALA SEQRES 8 A 138 VAL LYS VAL LEU LYS ASP ILE GLU SER ILE LEU LYS GLU SEQRES 9 A 138 ARG GLY TYR ASN VAL LEU ARG ALA PRO PHE GLY TRP TYR SEQRES 10 A 138 LYS ALA PHE LYS ILE SER CYS LYS GLY HIS PRO LEU SER SEQRES 11 A 138 GLU LEU SER ARG LYS ILE VAL ALA SEQRES 1 D 139 MET LYS MET LEU LEU ILE HIS SER ASP TYR LEU GLU PHE SEQRES 2 D 139 GLU ALA LYS GLU LYS THR LYS ILE ALA GLU GLU THR GLU SEQRES 3 D 139 ASN LEU LYS GLY LYS LEU ASP GLU CYS LEU ALA CYS PHE SEQRES 4 D 139 ILE ALA VAL GLU ARG GLU ASP GLU ASN ASN PRO GLU GLY SEQRES 5 D 139 THR ALA ILE GLY ALA VAL GLU GLU ILE GLU LYS VAL ALA SEQRES 6 D 139 ASN GLN LEU LYS VAL ASN ASN ILE VAL VAL TYR PRO TYR SEQRES 7 D 139 ALA HIS LEU SER SER ASP LEU SER SER PRO GLU THR ALA SEQRES 8 D 139 VAL LYS VAL LEU LYS ASP ILE GLU SER ILE LEU LYS GLU SEQRES 9 D 139 ARG GLY TYR ASN VAL LEU ARG ALA PRO PHE GLY TRP TYR SEQRES 10 D 139 LYS ALA PHE LYS ILE SER CYS LYS GLY HIS PRO LEU SER SEQRES 11 D 139 GLU LEU SER ARG LYS ILE VAL ALA LYS HET MG A 1 1 HET A A 3S 45 ATOM 1 N MET A 5 15.796 10.611 4.915 1.00 27.24 N ATOM 2 CA MET A 5 16.322 9.241 4.558 1.00 24.08 C ATOM 3 C MET A 5 17.604 8.997 5.339 1.00 23.98 C ATOM 4 O MET A 5 18.430 9.885 5.462 1.00 26.31 O ATOM 5 CB MET A 5 16.653 9.122 3.058 1.00 25.35 C ATOM 6 CG MET A 5 17.491 7.863 2.768 1.00 26.19 C ATOM 7 SD MET A 5 17.429 7.476 1.004 1.00 25.41 S ATOM 8 CE MET A 5 15.836 6.722 0.978 1.00 26.41 C ATOM 9 HN3 MET A 5 16.506 11.329 4.666 1.00 0.00 H ATOM 10 HN2 MET A 5 15.603 10.652 5.936 1.00 0.00 H ATOM 11 HN1 MET A 5 14.918 10.792 4.388 1.00 0.00 H ATOM 12 N LYS A 6 17.768 7.813 5.904 1.00 20.54 N ATOM 13 CA LYS A 6 19.041 7.535 6.563 1.00 20.58 C ATOM 14 C LYS A 6 19.634 6.349 5.870 1.00 19.48 C ATOM 15 O LYS A 6 18.922 5.396 5.581 1.00 21.03 O ATOM 16 CB LYS A 6 18.813 7.249 8.051 1.00 24.26 C ATOM 17 CG LYS A 6 20.042 6.841 8.819 1.00 32.26 C ATOM 18 CD LYS A 6 21.141 7.902 8.773 1.00 33.57 C ATOM 19 CE LYS A 6 20.674 9.198 9.399 1.00 35.19 C ATOM 20 NZ LYS A 6 20.496 9.044 10.877 1.00 39.58 N ATOM 21 HZ1 LYS A 6 19.787 8.307 11.065 1.00 0.00 H ATOM 22 HZ2 LYS A 6 21.403 8.772 11.308 1.00 0.00 H ATOM 23 HZ3 LYS A 6 20.175 9.947 11.282 1.00 0.00 H ATOM 24 H LYS A 6 17.012 7.100 5.880 1.00 0.00 H ATOM 25 N MET A 7 20.949 6.377 5.658 1.00 18.82 N ATOM 26 CA MET A 7 21.607 5.310 4.909 1.00 20.32 C ATOM 27 C MET A 7 22.906 4.932 5.598 1.00 20.59 C ATOM 28 O MET A 7 23.609 5.791 6.141 1.00 21.85 O ATOM 29 CB MET A 7 21.869 5.834 3.505 1.00 22.76 C ATOM 30 CG MET A 7 22.222 4.809 2.503 1.00 31.15 C ATOM 31 SD MET A 7 22.110 5.474 0.799 1.00 36.39 S ATOM 32 CE MET A 7 22.747 7.130 0.897 1.00 34.42 C ATOM 33 H MET A 7 21.513 7.168 6.030 1.00 0.00 H ATOM 34 N LEU A 8 23.186 3.640 5.625 1.00 19.52 N ATOM 35 CA LEU A 8 24.490 3.111 6.049 1.00 19.75 C ATOM 36 C LEU A 8 25.068 2.367 4.898 1.00 19.57 C ATOM 37 O LEU A 8 24.387 1.501 4.343 1.00 20.44 O ATOM 38 CB LEU A 8 24.275 2.131 7.209 1.00 20.76 C ATOM 39 CG LEU A 8 25.484 1.403 7.811 1.00 22.32 C ATOM 40 CD1 LEU A 8 26.427 2.389 8.503 1.00 23.13 C ATOM 41 CD2 LEU A 8 25.008 0.362 8.826 1.00 24.65 C ATOM 42 H LEU A 8 22.449 2.967 5.333 1.00 0.00 H ATOM 43 N LEU A 9 26.297 2.696 4.508 1.00 17.97 N ATOM 44 CA LEU A 9 26.884 2.103 3.310 1.00 19.77 C ATOM 45 C LEU A 9 28.105 1.335 3.767 1.00 20.22 C ATOM 46 O LEU A 9 29.043 1.919 4.397 1.00 20.46 O ATOM 47 CB LEU A 9 27.294 3.190 2.310 1.00 21.31 C ATOM 48 CG LEU A 9 26.342 4.389 2.025 1.00 25.36 C ATOM 49 CD1 LEU A 9 26.928 5.364 0.983 1.00 27.04 C ATOM 50 CD2 LEU A 9 25.046 3.783 1.495 1.00 26.90 C ATOM 51 H LEU A 9 26.846 3.383 5.063 1.00 0.00 H ATOM 52 N ILE A 10 28.120 0.058 3.385 1.00 17.56 N ATOM 53 CA ILE A 10 29.090 -0.916 3.858 1.00 18.00 C ATOM 54 C ILE A 10 29.801 -1.591 2.674 1.00 18.60 C ATOM 55 O ILE A 10 29.211 -2.348 1.924 1.00 18.50 O ATOM 56 CB ILE A 10 28.478 -2.004 4.819 1.00 18.65 C ATOM 57 CG1 ILE A 10 27.817 -1.358 6.036 1.00 23.38 C ATOM 58 CG2 ILE A 10 29.624 -2.920 5.332 1.00 20.25 C ATOM 59 CD1 ILE A 10 27.446 -2.291 7.165 1.00 27.96 C ATOM 60 H ILE A 10 27.396 -0.260 2.710 1.00 0.00 H ATOM 61 N HIS A 11 31.102 -1.348 2.558 1.00 17.95 N ATOM 62 CA HIS A 11 31.893 -1.992 1.494 1.00 17.52 C ATOM 63 C HIS A 11 32.177 -3.379 1.926 1.00 16.16 C ATOM 64 O HIS A 11 32.831 -3.584 2.934 1.00 15.65 O ATOM 65 CB HIS A 11 33.183 -1.220 1.264 1.00 19.02 C ATOM 66 CG HIS A 11 33.984 -1.731 0.057 1.00 21.56 C ATOM 67 ND1 HIS A 11 35.325 -1.487 -0.108 1.00 22.39 N ATOM 68 CD2 HIS A 11 33.591 -2.488 -1.013 1.00 20.70 C ATOM 69 CE1 HIS A 11 35.746 -2.069 -1.233 1.00 23.30 C ATOM 70 NE2 HIS A 11 34.692 -2.686 -1.799 1.00 21.89 N ATOM 71 H HIS A 11 31.566 -0.698 3.224 1.00 0.00 H ATOM 72 N SER A 12 31.697 -4.337 1.168 1.00 18.09 N ATOM 73 CA SER A 12 31.592 -5.722 1.665 1.00 19.02 C ATOM 74 C SER A 12 32.295 -6.676 0.787 1.00 18.46 C ATOM 75 O SER A 12 32.291 -6.512 -0.400 1.00 20.75 O ATOM 76 CB SER A 12 30.119 -6.122 1.690 1.00 20.45 C ATOM 77 OG SER A 12 29.398 -5.135 2.444 1.00 25.94 O ATOM 78 HG SER A 12 29.503 -4.250 2.013 1.00 0.00 H ATOM 79 H SER A 12 31.385 -4.116 0.201 1.00 0.00 H ATOM 80 N ASP A 13 32.789 -7.756 1.362 1.00 18.06 N ATOM 81 CA ASP A 13 33.297 -8.869 0.526 1.00 21.18 C ATOM 82 C ASP A 13 32.145 -9.585 -0.144 1.00 20.63 C ATOM 83 O ASP A 13 32.252 -10.106 -1.299 1.00 20.52 O ATOM 84 CB ASP A 13 34.065 -9.876 1.380 1.00 22.24 C ATOM 85 CG ASP A 13 35.247 -9.264 2.005 1.00 29.40 C ATOM 86 OD1 ASP A 13 36.139 -8.812 1.261 1.00 24.80 O ATOM 87 OD2 ASP A 13 35.228 -9.178 3.242 1.00 28.41 O ATOM 88 H ASP A 13 32.822 -7.826 2.399 1.00 0.00 H ATOM 89 N TYR A 14 30.999 -9.587 0.545 1.00 19.75 N ATOM 90 CA TYR A 14 29.765 -10.184 0.016 1.00 17.85 C ATOM 91 C TYR A 14 28.607 -9.748 0.870 1.00 18.48 C ATOM 92 O TYR A 14 28.785 -9.390 2.065 1.00 19.69 O ATOM 93 CB TYR A 14 29.868 -11.759 0.025 1.00 21.27 C ATOM 94 CG TYR A 14 30.113 -12.355 1.422 1.00 22.35 C ATOM 95 CD1 TYR A 14 29.086 -12.420 2.398 1.00 23.72 C ATOM 96 CD2 TYR A 14 31.388 -12.845 1.789 1.00 23.41 C ATOM 97 CE1 TYR A 14 29.356 -12.924 3.678 1.00 23.20 C ATOM 98 CE2 TYR A 14 31.656 -13.345 3.060 1.00 22.00 C ATOM 99 CZ TYR A 14 30.643 -13.403 3.989 1.00 24.90 C ATOM 100 OH TYR A 14 30.963 -13.887 5.278 1.00 24.95 O ATOM 101 HH TYR A 14 30.151 -13.877 5.844 1.00 0.00 H ATOM 102 H TYR A 14 30.980 -9.151 1.489 1.00 0.00 H ATOM 103 N LEU A 15 27.415 -9.753 0.293 1.00 19.74 N ATOM 104 CA LEU A 15 26.187 -9.627 1.059 1.00 21.62 C ATOM 105 C LEU A 15 25.239 -10.727 0.541 1.00 20.70 C ATOM 106 O LEU A 15 25.033 -10.849 -0.695 1.00 19.42 O ATOM 107 CB LEU A 15 25.580 -8.228 0.851 1.00 22.81 C ATOM 108 CG LEU A 15 24.255 -7.878 1.537 1.00 24.19 C ATOM 109 CD1 LEU A 15 24.317 -8.113 3.045 1.00 27.72 C ATOM 110 CD2 LEU A 15 23.954 -6.412 1.295 1.00 29.06 C ATOM 111 H LEU A 15 27.356 -9.850 -0.741 1.00 0.00 H ATOM 112 N GLU A 16 24.734 -11.576 1.429 1.00 17.54 N ATOM 113 CA GLU A 16 23.793 -12.624 1.024 1.00 21.15 C ATOM 114 C GLU A 16 22.554 -12.457 1.832 1.00 18.99 C ATOM 115 O GLU A 16 22.670 -12.115 3.001 1.00 20.31 O ATOM 116 CB GLU A 16 24.357 -14.013 1.367 1.00 23.73 C ATOM 117 CG GLU A 16 25.574 -14.402 0.566 1.00 32.61 C ATOM 118 CD GLU A 16 25.904 -15.869 0.761 1.00 35.05 C ATOM 119 OE1 GLU A 16 25.464 -16.419 1.787 1.00 34.91 O ATOM 120 OE2 GLU A 16 26.609 -16.437 -0.091 1.00 41.63 O ATOM 121 H GLU A 16 25.011 -11.496 2.428 1.00 0.00 H ATOM 122 N PHE A 17 21.384 -12.659 1.249 1.00 18.39 N ATOM 123 CA PHE A 17 20.183 -12.526 2.068 1.00 19.01 C ATOM 124 C PHE A 17 19.119 -13.562 1.651 1.00 19.24 C ATOM 125 O PHE A 17 19.105 -14.068 0.513 1.00 20.28 O ATOM 126 CB PHE A 17 19.590 -11.087 2.007 1.00 18.74 C ATOM 127 CG PHE A 17 19.109 -10.703 0.647 1.00 19.03 C ATOM 128 CD1 PHE A 17 17.847 -11.137 0.183 1.00 17.24 C ATOM 129 CD2 PHE A 17 19.898 -9.900 -0.170 1.00 18.37 C ATOM 130 CE1 PHE A 17 17.445 -10.837 -1.112 1.00 19.30 C ATOM 131 CE2 PHE A 17 19.457 -9.537 -1.443 1.00 19.38 C ATOM 132 CZ PHE A 17 18.212 -10.011 -1.884 1.00 17.66 C ATOM 133 H PHE A 17 21.322 -12.905 0.240 1.00 0.00 H ATOM 134 N GLU A 18 18.225 -13.868 2.586 1.00 20.28 N ATOM 135 CA GLU A 18 17.097 -14.739 2.289 1.00 21.29 C ATOM 136 C GLU A 18 15.852 -14.224 2.995 1.00 22.05 C ATOM 137 O GLU A 18 15.860 -14.053 4.239 1.00 21.99 O ATOM 138 CB GLU A 18 17.432 -16.157 2.801 1.00 23.86 C ATOM 139 CG GLU A 18 16.414 -17.207 2.382 1.00 26.35 C ATOM 140 CD GLU A 18 16.623 -18.502 3.133 1.00 31.96 C ATOM 141 OE1 GLU A 18 17.777 -18.817 3.526 1.00 30.13 O ATOM 142 OE2 GLU A 18 15.620 -19.198 3.357 1.00 35.73 O ATOM 143 H GLU A 18 18.333 -13.479 3.544 1.00 0.00 H ATOM 144 N ALA A 19 14.771 -14.015 2.247 1.00 23.29 N ATOM 145 CA ALA A 19 13.505 -13.551 2.870 1.00 24.51 C ATOM 146 C ALA A 19 12.952 -14.698 3.703 1.00 24.37 C ATOM 147 O ALA A 19 12.826 -15.816 3.199 1.00 24.03 O ATOM 148 CB ALA A 19 12.502 -13.153 1.825 1.00 23.12 C ATOM 149 H ALA A 19 14.813 -14.177 1.221 1.00 0.00 H ATOM 150 N LYS A 20 12.639 -14.433 4.974 1.00 22.78 N ATOM 151 CA LYS A 20 12.161 -15.495 5.857 1.00 23.61 C ATOM 152 C LYS A 20 10.686 -15.351 6.197 1.00 24.88 C ATOM 153 O LYS A 20 9.898 -16.311 6.039 1.00 24.61 O ATOM 154 CB LYS A 20 12.944 -15.507 7.166 1.00 26.54 C ATOM 155 CG LYS A 20 14.379 -16.024 7.067 1.00 28.85 C ATOM 156 CD LYS A 20 14.304 -17.489 6.746 1.00 33.79 C ATOM 157 CE LYS A 20 15.560 -18.207 7.117 1.00 39.39 C ATOM 158 NZ LYS A 20 16.601 -17.513 6.313 1.00 42.84 N ATOM 159 HZ1 LYS A 20 16.374 -17.604 5.302 1.00 0.00 H ATOM 160 HZ2 LYS A 20 16.626 -16.507 6.575 1.00 0.00 H ATOM 161 HZ3 LYS A 20 17.528 -17.945 6.502 1.00 0.00 H ATOM 162 H LYS A 20 12.736 -13.464 5.338 1.00 0.00 H ATOM 163 N GLU A 21 10.305 -14.175 6.688 1.00 22.47 N ATOM 164 CA GLU A 21 8.925 -14.024 7.126 1.00 22.36 C ATOM 165 C GLU A 21 8.250 -12.841 6.497 1.00 22.04 C ATOM 166 O GLU A 21 8.806 -11.745 6.473 1.00 20.58 O ATOM 167 CB GLU A 21 8.855 -13.847 8.656 1.00 24.28 C ATOM 168 CG GLU A 21 9.328 -15.008 9.522 1.00 29.78 C ATOM 169 CD GLU A 21 8.646 -16.342 9.209 1.00 29.92 C ATOM 170 OE1 GLU A 21 9.270 -17.388 9.458 1.00 31.03 O ATOM 171 OE2 GLU A 21 7.498 -16.349 8.717 1.00 31.45 O ATOM 172 H GLU A 21 10.976 -13.383 6.757 1.00 0.00 H ATOM 173 N LYS A 22 7.029 -13.082 6.018 1.00 22.51 N ATOM 174 CA LYS A 22 6.150 -12.048 5.507 1.00 24.90 C ATOM 175 C LYS A 22 5.606 -11.132 6.556 1.00 25.29 C ATOM 176 O LYS A 22 5.237 -11.577 7.666 1.00 25.76 O ATOM 177 CB LYS A 22 4.960 -12.680 4.787 1.00 24.41 C ATOM 178 CG LYS A 22 5.138 -12.746 3.294 1.00 28.61 C ATOM 179 CD LYS A 22 3.946 -13.352 2.568 1.00 30.12 C ATOM 180 CE LYS A 22 3.581 -12.393 1.424 1.00 35.11 C ATOM 181 NZ LYS A 22 2.764 -12.930 0.297 1.00 36.12 N ATOM 182 HZ1 LYS A 22 3.275 -13.713 -0.158 1.00 0.00 H ATOM 183 HZ2 LYS A 22 1.854 -13.275 0.664 1.00 0.00 H ATOM 184 HZ3 LYS A 22 2.596 -12.175 -0.398 1.00 0.00 H ATOM 185 H LYS A 22 6.689 -14.065 6.011 1.00 0.00 H ATOM 186 N THR A 23 5.508 -9.858 6.196 1.00 23.33 N ATOM 187 CA THR A 23 4.715 -8.919 6.998 1.00 22.70 C ATOM 188 C THR A 23 3.466 -8.516 6.196 1.00 20.75 C ATOM 189 O THR A 23 3.334 -8.819 5.008 1.00 24.49 O ATOM 190 CB THR A 23 5.482 -7.622 7.364 1.00 21.54 C ATOM 191 OG1 THR A 23 5.612 -6.792 6.189 1.00 22.42 O ATOM 192 CG2 THR A 23 6.856 -7.896 7.997 1.00 23.06 C ATOM 193 HG1 THR A 23 6.111 -7.286 5.491 1.00 0.00 H ATOM 194 H THR A 23 5.996 -9.523 5.341 1.00 0.00 H ATOM 195 N LYS A 24 2.647 -7.653 6.781 1.00 23.55 N ATOM 196 CA LYS A 24 1.445 -7.190 6.086 1.00 22.46 C ATOM 197 C LYS A 24 1.770 -6.334 4.836 1.00 24.62 C ATOM 198 O LYS A 24 0.884 -6.091 4.027 1.00 27.17 O ATOM 199 CB LYS A 24 0.552 -6.402 7.062 1.00 25.32 C ATOM 200 CG LYS A 24 1.157 -5.096 7.526 1.00 25.62 C ATOM 201 CD LYS A 24 0.417 -4.589 8.741 1.00 28.23 C ATOM 202 CE LYS A 24 0.917 -3.267 9.236 1.00 32.72 C ATOM 203 NZ LYS A 24 -0.113 -2.711 10.178 1.00 35.02 N ATOM 204 HZ1 LYS A 24 -1.014 -2.591 9.673 1.00 0.00 H ATOM 205 HZ2 LYS A 24 -0.245 -3.369 10.973 1.00 0.00 H ATOM 206 HZ3 LYS A 24 0.209 -1.790 10.538 1.00 0.00 H ATOM 207 H LYS A 24 2.859 -7.304 7.737 1.00 0.00 H ATOM 208 N ILE A 25 3.027 -5.897 4.696 1.00 22.54 N ATOM 209 CA ILE A 25 3.457 -5.039 3.572 1.00 23.85 C ATOM 210 C ILE A 25 4.517 -5.729 2.663 1.00 21.61 C ATOM 211 O ILE A 25 5.168 -5.102 1.818 1.00 23.13 O ATOM 212 CB ILE A 25 3.902 -3.634 4.087 1.00 22.85 C ATOM 213 CG1 ILE A 25 5.104 -3.757 5.074 1.00 23.47 C ATOM 214 CG2 ILE A 25 2.665 -2.891 4.639 1.00 25.79 C ATOM 215 CD1 ILE A 25 5.813 -2.480 5.539 1.00 29.32 C ATOM 216 H ILE A 25 3.732 -6.173 5.409 1.00 0.00 H ATOM 217 N ALA A 26 4.673 -7.042 2.817 1.00 21.69 N ATOM 218 CA ALA A 26 5.623 -7.812 1.998 1.00 22.06 C ATOM 219 C ALA A 26 5.320 -7.738 0.528 1.00 22.45 C ATOM 220 O ALA A 26 4.145 -7.787 0.091 1.00 23.57 O ATOM 221 CB ALA A 26 5.677 -9.281 2.461 1.00 23.55 C ATOM 222 H ALA A 26 4.108 -7.537 3.536 1.00 0.00 H ATOM 223 N GLU A 27 6.376 -7.517 -0.239 1.00 21.93 N ATOM 224 CA GLU A 27 6.264 -7.487 -1.693 1.00 22.39 C ATOM 225 C GLU A 27 6.762 -8.808 -2.235 1.00 23.15 C ATOM 226 O GLU A 27 7.821 -9.266 -1.813 1.00 22.59 O ATOM 227 CB GLU A 27 7.168 -6.389 -2.264 1.00 23.60 C ATOM 228 CG GLU A 27 6.762 -4.970 -1.901 1.00 25.12 C ATOM 229 CD GLU A 27 5.655 -4.391 -2.799 1.00 29.69 C ATOM 230 OE1 GLU A 27 5.609 -4.667 -4.024 1.00 33.62 O ATOM 231 OE2 GLU A 27 4.844 -3.620 -2.282 1.00 28.67 O ATOM 232 H GLU A 27 7.304 -7.362 0.204 1.00 0.00 H ATOM 233 N GLU A 28 6.013 -9.416 -3.157 1.00 21.23 N ATOM 234 CA GLU A 28 6.474 -10.682 -3.800 1.00 24.30 C ATOM 235 C GLU A 28 7.366 -10.308 -4.966 1.00 22.63 C ATOM 236 O GLU A 28 6.911 -9.672 -5.891 1.00 23.63 O ATOM 237 CB GLU A 28 5.308 -11.551 -4.295 1.00 29.04 C ATOM 238 CG GLU A 28 4.480 -12.228 -3.210 1.00 30.88 C ATOM 239 CD GLU A 28 5.209 -13.330 -2.452 1.00 34.07 C ATOM 240 OE1 GLU A 28 6.295 -13.778 -2.879 1.00 27.93 O ATOM 241 OE2 GLU A 28 4.696 -13.751 -1.387 1.00 37.93 O ATOM 242 H GLU A 28 5.098 -9.003 -3.431 1.00 0.00 H ATOM 243 N THR A 29 8.642 -10.664 -4.887 1.00 22.65 N ATOM 244 CA THR A 29 9.571 -10.294 -5.927 1.00 22.67 C ATOM 245 C THR A 29 10.358 -11.526 -6.379 1.00 21.41 C ATOM 246 O THR A 29 10.266 -12.612 -5.797 1.00 19.83 O ATOM 247 CB THR A 29 10.582 -9.210 -5.534 1.00 23.58 C ATOM 248 OG1 THR A 29 11.767 -9.782 -4.906 1.00 20.11 O ATOM 249 CG2 THR A 29 9.951 -8.110 -4.690 1.00 24.77 C ATOM 250 HG1 THR A 29 12.395 -9.055 -4.667 1.00 0.00 H ATOM 251 H THR A 29 8.975 -11.214 -4.069 1.00 0.00 H ATOM 252 N GLU A 30 11.142 -11.333 -7.422 1.00 20.79 N ATOM 253 CA GLU A 30 11.893 -12.422 -8.006 1.00 23.91 C ATOM 254 C GLU A 30 13.240 -12.591 -7.292 1.00 23.46 C ATOM 255 O GLU A 30 14.042 -13.466 -7.664 1.00 26.63 O ATOM 256 CB GLU A 30 12.020 -12.198 -9.515 1.00 25.76 C ATOM 257 CG GLU A 30 13.169 -11.318 -9.987 1.00 28.71 C ATOM 258 CD GLU A 30 12.936 -9.851 -9.741 1.00 32.10 C ATOM 259 OE1 GLU A 30 11.879 -9.492 -9.151 1.00 30.61 O ATOM 260 OE2 GLU A 30 13.828 -9.047 -10.139 1.00 31.22 O ATOM 261 H GLU A 30 11.221 -10.380 -7.832 1.00 0.00 H ATOM 262 N ASN A 31 13.495 -11.772 -6.260 1.00 22.34 N ATOM 263 CA ASN A 31 14.746 -11.887 -5.504 1.00 22.92 C ATOM 264 C ASN A 31 14.498 -12.080 -4.060 1.00 20.06 C ATOM 265 O ASN A 31 15.025 -11.324 -3.235 1.00 20.92 O ATOM 266 CB ASN A 31 15.656 -10.663 -5.681 1.00 26.23 C ATOM 267 CG ASN A 31 16.112 -10.500 -7.110 1.00 26.65 C ATOM 268 OD1 ASN A 31 16.771 -11.368 -7.659 1.00 27.24 O ATOM 269 ND2 ASN A 31 15.773 -9.381 -7.717 1.00 29.73 N ATOM 270 HD22 ASN A 31 15.210 -8.666 -7.213 1.00 0.00 H ATOM 271 HD21 ASN A 31 16.068 -9.213 -8.700 1.00 0.00 H ATOM 272 H ASN A 31 12.798 -11.048 -5.994 1.00 0.00 H ATOM 273 N LEU A 32 13.739 -13.123 -3.708 1.00 19.74 N ATOM 274 CA LEU A 32 13.545 -13.365 -2.276 1.00 20.32 C ATOM 275 C LEU A 32 14.819 -13.871 -1.615 1.00 22.19 C ATOM 276 O LEU A 32 15.004 -13.705 -0.394 1.00 23.20 O ATOM 277 CB LEU A 32 12.334 -14.251 -1.975 1.00 24.28 C ATOM 278 CG LEU A 32 11.008 -13.627 -2.450 1.00 24.60 C ATOM 279 CD1 LEU A 32 9.840 -14.562 -2.203 1.00 29.16 C ATOM 280 CD2 LEU A 32 10.722 -12.227 -1.923 1.00 24.49 C ATOM 281 H LEU A 32 13.303 -13.739 -4.423 1.00 0.00 H ATOM 282 N LYS A 33 15.657 -14.529 -2.414 1.00 22.08 N ATOM 283 CA LYS A 33 16.986 -14.905 -1.995 1.00 25.12 C ATOM 284 C LYS A 33 17.981 -14.162 -2.907 1.00 23.82 C ATOM 285 O LYS A 33 17.666 -13.899 -4.078 1.00 25.42 O ATOM 286 CB LYS A 33 17.109 -16.438 -2.155 1.00 29.73 C ATOM 287 CG LYS A 33 18.548 -16.930 -2.004 1.00 40.88 C ATOM 288 CD LYS A 33 18.867 -18.223 -2.745 1.00 46.26 C ATOM 289 CE LYS A 33 20.380 -18.483 -2.797 1.00 49.76 C ATOM 290 NZ LYS A 33 21.178 -17.321 -3.298 1.00 50.99 N ATOM 291 HZ1 LYS A 33 20.873 -17.083 -4.263 1.00 0.00 H ATOM 292 HZ2 LYS A 33 21.027 -16.503 -2.673 1.00 0.00 H ATOM 293 HZ3 LYS A 33 22.187 -17.572 -3.304 1.00 0.00 H ATOM 294 H LYS A 33 15.343 -14.781 -3.373 1.00 0.00 H ATOM 295 N GLY A 34 19.167 -13.815 -2.416 1.00 23.07 N ATOM 296 CA GLY A 34 20.102 -13.103 -3.306 1.00 21.13 C ATOM 297 C GLY A 34 21.462 -12.928 -2.726 1.00 21.17 C ATOM 298 O GLY A 34 21.656 -13.068 -1.516 1.00 21.00 O ATOM 299 H GLY A 34 19.427 -14.039 -1.434 1.00 0.00 H ATOM 300 N LYS A 35 22.435 -12.708 -3.597 1.00 21.52 N ATOM 301 CA LYS A 35 23.815 -12.564 -3.176 1.00 23.02 C ATOM 302 C LYS A 35 24.652 -11.740 -4.129 1.00 23.82 C ATOM 303 O LYS A 35 24.563 -11.888 -5.356 1.00 24.55 O ATOM 304 CB LYS A 35 24.476 -13.908 -2.930 1.00 27.45 C ATOM 305 CG LYS A 35 24.907 -14.697 -4.114 1.00 30.08 C ATOM 306 CD LYS A 35 25.231 -16.121 -3.627 1.00 40.12 C ATOM 307 CE LYS A 35 26.108 -16.897 -4.612 1.00 40.55 C ATOM 308 NZ LYS A 35 25.735 -16.734 -6.053 1.00 45.52 N ATOM 309 HZ1 LYS A 35 24.759 -17.064 -6.197 1.00 0.00 H ATOM 310 HZ2 LYS A 35 25.805 -15.730 -6.317 1.00 0.00 H ATOM 311 HZ3 LYS A 35 26.382 -17.295 -6.643 1.00 0.00 H ATOM 312 H LYS A 35 22.203 -12.637 -4.608 1.00 0.00 H ATOM 313 N LEU A 36 25.494 -10.905 -3.566 1.00 22.06 N ATOM 314 CA LEU A 36 26.327 -10.068 -4.442 1.00 21.57 C ATOM 315 C LEU A 36 27.704 -9.947 -3.842 1.00 23.92 C ATOM 316 O LEU A 36 27.833 -9.638 -2.662 1.00 25.59 O ATOM 317 CB LEU A 36 25.604 -8.743 -4.659 1.00 22.44 C ATOM 318 CG LEU A 36 25.870 -7.963 -5.951 1.00 21.07 C ATOM 319 CD1 LEU A 36 25.689 -8.862 -7.160 1.00 25.52 C ATOM 320 CD2 LEU A 36 25.058 -6.670 -6.118 1.00 21.57 C ATOM 321 H LEU A 36 25.570 -10.837 -2.531 1.00 0.00 H ATOM 322 N ASP A 37 28.758 -10.277 -4.606 1.00 24.59 N ATOM 323 CA ASP A 37 30.129 -10.150 -4.087 1.00 25.72 C ATOM 324 C ASP A 37 30.695 -8.749 -4.347 1.00 23.46 C ATOM 325 O ASP A 37 30.224 -8.063 -5.251 1.00 25.04 O ATOM 326 CB ASP A 37 31.067 -11.152 -4.749 1.00 29.68 C ATOM 327 CG ASP A 37 30.767 -12.587 -4.360 1.00 36.03 C ATOM 328 OD1 ASP A 37 30.317 -12.843 -3.219 1.00 33.81 O ATOM 329 OD2 ASP A 37 31.026 -13.466 -5.191 1.00 40.92 O ATOM 330 H ASP A 37 28.604 -10.626 -5.574 1.00 0.00 H ATOM 331 N GLU A 38 31.663 -8.335 -3.539 1.00 22.56 N ATOM 332 CA GLU A 38 32.501 -7.152 -3.795 1.00 23.76 C ATOM 333 C GLU A 38 31.569 -5.962 -4.054 1.00 22.74 C ATOM 334 O GLU A 38 31.535 -5.357 -5.152 1.00 21.88 O ATOM 335 CB GLU A 38 33.405 -7.395 -5.028 1.00 25.38 C ATOM 336 CG GLU A 38 34.418 -8.524 -4.780 1.00 30.53 C ATOM 337 CD GLU A 38 35.241 -8.327 -3.492 1.00 32.34 C ATOM 338 OE1 GLU A 38 35.664 -9.327 -2.888 1.00 42.85 O ATOM 339 OE2 GLU A 38 35.466 -7.175 -3.061 1.00 38.32 O ATOM 340 H GLU A 38 31.841 -8.880 -2.671 1.00 0.00 H ATOM 341 N CYS A 39 30.775 -5.639 -3.041 1.00 18.96 N ATOM 342 CA CYS A 39 29.642 -4.754 -3.261 1.00 19.27 C ATOM 343 C CYS A 39 29.571 -3.634 -2.212 1.00 18.40 C ATOM 344 O CYS A 39 30.185 -3.712 -1.147 1.00 21.35 O ATOM 345 CB CYS A 39 28.327 -5.579 -3.267 1.00 20.14 C ATOM 346 SG CYS A 39 27.936 -6.284 -1.670 1.00 22.14 S ATOM 347 H CYS A 39 30.963 -6.018 -2.091 1.00 0.00 H ATOM 348 N LEU A 40 28.789 -2.615 -2.500 1.00 19.69 N ATOM 349 CA LEU A 40 28.480 -1.592 -1.506 1.00 16.39 C ATOM 350 C LEU A 40 27.087 -1.952 -1.072 1.00 17.95 C ATOM 351 O LEU A 40 26.154 -1.909 -1.882 1.00 18.00 O ATOM 352 CB LEU A 40 28.566 -0.204 -2.154 1.00 19.50 C ATOM 353 CG LEU A 40 28.505 1.008 -1.242 1.00 19.37 C ATOM 354 CD1 LEU A 40 29.630 1.116 -0.201 1.00 22.05 C ATOM 355 CD2 LEU A 40 28.525 2.213 -2.197 1.00 22.83 C ATOM 356 H LEU A 40 28.383 -2.537 -3.455 1.00 0.00 H ATOM 357 N ALA A 41 26.941 -2.315 0.215 1.00 17.23 N ATOM 358 CA ALA A 41 25.635 -2.718 0.682 1.00 18.40 C ATOM 359 C ALA A 41 25.008 -1.457 1.261 1.00 18.07 C ATOM 360 O ALA A 41 25.557 -0.822 2.160 1.00 20.46 O ATOM 361 CB ALA A 41 25.797 -3.768 1.758 1.00 16.93 C ATOM 362 H ALA A 41 27.755 -2.306 0.863 1.00 0.00 H ATOM 363 N CYS A 42 23.867 -1.058 0.746 1.00 17.84 N ATOM 364 CA CYS A 42 23.308 0.216 1.161 1.00 18.43 C ATOM 365 C CYS A 42 22.065 -0.109 1.975 1.00 17.47 C ATOM 366 O CYS A 42 21.011 -0.373 1.381 1.00 19.42 O ATOM 367 CB CYS A 42 22.902 0.951 -0.080 1.00 18.51 C ATOM 368 SG CYS A 42 24.303 1.345 -1.184 1.00 25.18 S ATOM 369 H CYS A 42 23.370 -1.648 0.049 1.00 0.00 H ATOM 370 N PHE A 43 22.190 0.005 3.299 1.00 16.85 N ATOM 371 CA PHE A 43 21.084 -0.185 4.184 1.00 18.50 C ATOM 372 C PHE A 43 20.314 1.121 4.277 1.00 17.15 C ATOM 373 O PHE A 43 20.917 2.134 4.580 1.00 19.07 O ATOM 374 CB PHE A 43 21.572 -0.679 5.534 1.00 15.97 C ATOM 375 CG PHE A 43 22.228 -2.026 5.457 1.00 17.06 C ATOM 376 CD1 PHE A 43 21.466 -3.149 5.527 1.00 18.20 C ATOM 377 CD2 PHE A 43 23.628 -2.180 5.314 1.00 18.17 C ATOM 378 CE1 PHE A 43 22.013 -4.409 5.462 1.00 18.87 C ATOM 379 CE2 PHE A 43 24.187 -3.441 5.255 1.00 19.28 C ATOM 380 CZ PHE A 43 23.381 -4.577 5.303 1.00 18.35 C ATOM 381 H PHE A 43 23.121 0.239 3.699 1.00 0.00 H ATOM 382 N ILE A 44 19.000 1.113 3.985 1.00 16.84 N ATOM 383 CA ILE A 44 18.255 2.383 3.782 1.00 17.51 C ATOM 384 C ILE A 44 16.917 2.398 4.498 1.00 17.60 C ATOM 385 O ILE A 44 16.117 1.499 4.340 1.00 17.51 O ATOM 386 CB ILE A 44 17.983 2.645 2.277 1.00 18.53 C ATOM 387 CG1 ILE A 44 19.282 2.753 1.504 1.00 19.15 C ATOM 388 CG2 ILE A 44 17.088 3.850 2.068 1.00 21.61 C ATOM 389 CD1 ILE A 44 19.095 2.658 -0.006 1.00 20.49 C ATOM 390 H ILE A 44 18.499 0.206 3.900 1.00 0.00 H ATOM 391 N ALA A 45 16.718 3.438 5.319 1.00 17.98 N ATOM 392 CA ALA A 45 15.462 3.676 5.960 1.00 19.12 C ATOM 393 C ALA A 45 14.862 4.947 5.288 1.00 19.22 C ATOM 394 O ALA A 45 15.468 6.046 5.325 1.00 21.29 O ATOM 395 CB ALA A 45 15.708 3.891 7.489 1.00 19.25 C ATOM 396 H ALA A 45 17.504 4.095 5.496 1.00 0.00 H ATOM 397 N VAL A 46 13.681 4.800 4.689 1.00 19.03 N ATOM 398 CA VAL A 46 12.983 5.953 4.062 1.00 19.39 C ATOM 399 C VAL A 46 12.139 6.635 5.141 1.00 20.24 C ATOM 400 O VAL A 46 11.363 5.977 5.831 1.00 21.87 O ATOM 401 CB VAL A 46 12.059 5.590 2.858 1.00 18.77 C ATOM 402 CG1 VAL A 46 11.687 6.863 2.114 1.00 19.36 C ATOM 403 CG2 VAL A 46 12.712 4.673 1.837 1.00 20.30 C ATOM 404 H VAL A 46 13.238 3.859 4.659 1.00 0.00 H ATOM 405 N GLU A 47 12.304 7.934 5.268 1.00 20.20 N ATOM 406 CA GLU A 47 11.793 8.656 6.444 1.00 25.04 C ATOM 407 C GLU A 47 10.605 9.524 6.088 1.00 23.27 C ATOM 408 O GLU A 47 10.347 9.784 4.938 1.00 21.84 O ATOM 409 CB GLU A 47 12.897 9.519 7.035 1.00 25.11 C ATOM 410 CG GLU A 47 14.018 8.691 7.631 1.00 26.26 C ATOM 411 CD GLU A 47 15.049 9.530 8.339 1.00 28.97 C ATOM 412 OE1 GLU A 47 15.615 10.457 7.692 1.00 32.24 O ATOM 413 OE2 GLU A 47 15.336 9.274 9.527 1.00 29.07 O ATOM 414 H GLU A 47 12.805 8.460 4.524 1.00 0.00 H ATOM 415 N ARG A 48 9.870 9.967 7.106 1.00 22.34 N ATOM 416 CA ARG A 48 8.619 10.671 6.907 1.00 26.18 C ATOM 417 C ARG A 48 8.823 11.950 6.063 1.00 23.69 C ATOM 418 O ARG A 48 8.050 12.224 5.165 1.00 27.32 O ATOM 419 CB ARG A 48 8.018 10.960 8.283 1.00 24.80 C ATOM 420 CG ARG A 48 6.542 11.352 8.295 1.00 28.08 C ATOM 421 CD ARG A 48 6.189 11.810 9.714 1.00 27.60 C ATOM 422 NE ARG A 48 6.209 10.735 10.732 1.00 25.72 N ATOM 423 CZ ARG A 48 7.031 10.633 11.797 1.00 28.40 C ATOM 424 NH1 ARG A 48 7.984 11.534 12.065 1.00 23.58 N ATOM 425 NH2 ARG A 48 6.903 9.591 12.643 1.00 24.98 N ATOM 426 HE ARG A 48 5.511 9.973 10.613 1.00 0.00 H ATOM 427 HH12 ARG A 48 8.594 11.413 12.898 1.00 0.00 H ATOM 428 HH11 ARG A 48 8.114 12.355 11.440 1.00 0.00 H ATOM 429 HH22 ARG A 48 7.534 9.508 13.465 1.00 0.00 H ATOM 430 HH21 ARG A 48 6.173 8.870 12.473 1.00 0.00 H ATOM 431 H ARG A 48 10.205 9.802 8.077 1.00 0.00 H ATOM 432 N GLU A 49 9.918 12.661 6.287 1.00 29.74 N ATOM 433 CA GLU A 49 10.203 13.903 5.548 1.00 29.68 C ATOM 434 C GLU A 49 10.328 13.604 4.061 1.00 29.75 C ATOM 435 O GLU A 49 10.023 14.457 3.208 1.00 29.84 O ATOM 436 CB GLU A 49 11.480 14.552 6.064 1.00 36.09 C ATOM 437 CG GLU A 49 12.637 13.550 6.200 1.00 46.58 C ATOM 438 CD GLU A 49 14.031 14.154 6.076 1.00 54.74 C ATOM 439 OE1 GLU A 49 14.968 13.379 5.776 1.00 56.45 O ATOM 440 OE2 GLU A 49 14.203 15.387 6.277 1.00 58.75 O ATOM 441 H GLU A 49 10.595 12.333 7.005 1.00 0.00 H ATOM 442 N ASP A 50 10.712 12.362 3.729 1.00 28.50 N ATOM 443 CA ASP A 50 10.904 11.982 2.335 1.00 28.83 C ATOM 444 C ASP A 50 9.606 12.024 1.533 1.00 26.79 C ATOM 445 O ASP A 50 9.629 12.109 0.309 1.00 29.05 O ATOM 446 CB ASP A 50 11.671 10.630 2.203 1.00 25.69 C ATOM 447 CG ASP A 50 13.022 10.632 2.992 1.00 28.32 C ATOM 448 OD1 ASP A 50 13.627 11.717 3.212 1.00 28.83 O ATOM 449 OD2 ASP A 50 13.484 9.530 3.385 1.00 26.79 O ATOM 450 H ASP A 50 10.875 11.659 4.478 1.00 0.00 H ATOM 451 N GLU A 51 8.466 11.961 2.221 1.00 29.57 N ATOM 452 CA GLU A 51 7.160 11.965 1.533 1.00 29.70 C ATOM 453 C GLU A 51 6.927 13.304 0.824 1.00 32.24 C ATOM 454 O GLU A 51 6.242 13.356 -0.194 1.00 31.24 O ATOM 455 CB GLU A 51 6.011 11.621 2.474 1.00 29.99 C ATOM 456 CG GLU A 51 6.333 10.530 3.490 1.00 32.24 C ATOM 457 CD GLU A 51 5.225 9.528 3.784 1.00 37.99 C ATOM 458 OE1 GLU A 51 4.548 9.101 2.835 1.00 44.72 O ATOM 459 OE2 GLU A 51 5.096 9.101 4.963 1.00 34.90 O ATOM 460 H GLU A 51 8.497 11.908 3.259 1.00 0.00 H ATOM 461 N ASN A 52 7.566 14.364 1.324 1.00 32.56 N ATOM 462 CA ASN A 52 7.425 15.693 0.703 1.00 35.99 C ATOM 463 C ASN A 52 7.927 15.658 -0.741 1.00 38.05 C ATOM 464 O ASN A 52 7.359 16.296 -1.620 1.00 37.29 O ATOM 465 CB ASN A 52 8.178 16.752 1.508 1.00 39.40 C ATOM 466 CG ASN A 52 7.736 16.799 2.971 1.00 44.33 C ATOM 467 OD1 ASN A 52 8.473 17.267 3.842 1.00 47.09 O ATOM 468 ND2 ASN A 52 6.549 16.286 3.252 1.00 44.93 N ATOM 469 HD22 ASN A 52 5.956 15.900 2.490 1.00 0.00 H ATOM 470 HD21 ASN A 52 6.210 16.268 4.235 1.00 0.00 H ATOM 471 H ASN A 52 8.171 14.251 2.162 1.00 0.00 H ATOM 472 N ASN A 53 8.994 14.883 -0.977 1.00 32.80 N ATOM 473 CA ASN A 53 9.642 14.857 -2.276 1.00 26.64 C ATOM 474 C ASN A 53 10.365 13.517 -2.450 1.00 26.64 C ATOM 475 O ASN A 53 11.585 13.450 -2.302 1.00 27.23 O ATOM 476 CB ASN A 53 10.620 16.054 -2.408 1.00 27.93 C ATOM 477 CG ASN A 53 11.284 16.124 -3.776 1.00 27.89 C ATOM 478 OD1 ASN A 53 11.023 15.298 -4.660 1.00 27.83 O ATOM 479 ND2 ASN A 53 12.162 17.103 -3.956 1.00 31.88 N ATOM 480 HD22 ASN A 53 12.354 17.777 -3.188 1.00 0.00 H ATOM 481 HD21 ASN A 53 12.658 17.196 -4.865 1.00 0.00 H ATOM 482 H ASN A 53 9.367 14.286 -0.212 1.00 0.00 H ATOM 483 N PRO A 54 9.616 12.477 -2.804 1.00 26.39 N ATOM 484 CA PRO A 54 10.152 11.107 -3.018 1.00 27.14 C ATOM 485 C PRO A 54 11.241 11.092 -4.111 1.00 25.26 C ATOM 486 O PRO A 54 12.332 10.521 -3.929 1.00 21.18 O ATOM 487 CB PRO A 54 8.935 10.293 -3.422 1.00 28.45 C ATOM 488 CG PRO A 54 7.735 11.063 -2.913 1.00 27.45 C ATOM 489 CD PRO A 54 8.129 12.509 -2.802 1.00 23.43 C ATOM 490 N GLU A 55 10.974 11.799 -5.197 1.00 27.88 N ATOM 491 CA GLU A 55 11.886 11.808 -6.340 1.00 27.49 C ATOM 492 C GLU A 55 13.246 12.440 -6.018 1.00 27.34 C ATOM 493 O GLU A 55 14.275 11.833 -6.303 1.00 25.05 O ATOM 494 CB GLU A 55 11.188 12.461 -7.541 1.00 28.80 C ATOM 495 CG GLU A 55 10.009 11.634 -8.063 1.00 34.03 C ATOM 496 CD GLU A 55 8.796 11.535 -7.123 1.00 38.15 C ATOM 497 OE1 GLU A 55 8.491 12.495 -6.370 1.00 37.32 O ATOM 498 OE2 GLU A 55 8.134 10.462 -7.127 1.00 39.16 O ATOM 499 H GLU A 55 10.099 12.359 -5.239 1.00 0.00 H ATOM 500 N GLY A 56 13.235 13.634 -5.394 1.00 26.49 N ATOM 501 CA GLY A 56 14.445 14.313 -4.935 1.00 26.10 C ATOM 502 C GLY A 56 15.232 13.501 -3.918 1.00 23.30 C ATOM 503 O GLY A 56 16.461 13.584 -3.886 1.00 22.87 O ATOM 504 H GLY A 56 12.318 14.096 -5.230 1.00 0.00 H ATOM 505 N THR A 57 14.515 12.758 -3.077 1.00 21.78 N ATOM 506 CA THR A 57 15.169 11.914 -2.083 1.00 21.94 C ATOM 507 C THR A 57 16.019 10.813 -2.767 1.00 21.56 C ATOM 508 O THR A 57 17.215 10.630 -2.422 1.00 21.81 O ATOM 509 CB THR A 57 14.173 11.285 -1.101 1.00 23.59 C ATOM 510 OG1 THR A 57 13.490 12.345 -0.424 1.00 24.31 O ATOM 511 CG2 THR A 57 14.938 10.418 -0.073 1.00 21.13 C ATOM 512 HG1 THR A 57 13.011 12.904 -1.086 1.00 0.00 H ATOM 513 H THR A 57 13.477 12.780 -3.129 1.00 0.00 H ATOM 514 N ALA A 58 15.382 10.097 -3.702 1.00 21.42 N ATOM 515 CA ALA A 58 16.035 9.066 -4.531 1.00 19.85 C ATOM 516 C ALA A 58 17.279 9.638 -5.226 1.00 20.61 C ATOM 517 O ALA A 58 18.372 9.042 -5.177 1.00 19.06 O ATOM 518 CB ALA A 58 15.035 8.444 -5.521 1.00 20.34 C ATOM 519 H ALA A 58 14.369 10.278 -3.852 1.00 0.00 H ATOM 520 N ILE A 59 17.127 10.804 -5.836 1.00 22.71 N ATOM 521 CA ILE A 59 18.263 11.485 -6.478 1.00 23.33 C ATOM 522 C ILE A 59 19.389 11.785 -5.536 1.00 21.68 C ATOM 523 O ILE A 59 20.539 11.418 -5.815 1.00 22.35 O ATOM 524 CB ILE A 59 17.811 12.802 -7.193 1.00 27.26 C ATOM 525 CG1 ILE A 59 16.859 12.459 -8.317 1.00 30.58 C ATOM 526 CG2 ILE A 59 19.010 13.605 -7.704 1.00 28.94 C ATOM 527 CD1 ILE A 59 17.482 11.826 -9.538 1.00 33.79 C ATOM 528 H ILE A 59 16.186 11.247 -5.862 1.00 0.00 H ATOM 529 N GLY A 60 19.058 12.337 -4.367 1.00 22.11 N ATOM 530 CA GLY A 60 20.082 12.652 -3.382 1.00 24.14 C ATOM 531 C GLY A 60 20.797 11.399 -2.909 1.00 22.30 C ATOM 532 O GLY A 60 22.016 11.407 -2.697 1.00 20.34 O ATOM 533 H GLY A 60 18.060 12.544 -4.158 1.00 0.00 H ATOM 534 N ALA A 61 20.028 10.325 -2.745 1.00 19.80 N ATOM 535 CA ALA A 61 20.567 9.090 -2.252 1.00 19.71 C ATOM 536 C ALA A 61 21.581 8.507 -3.278 1.00 19.45 C ATOM 537 O ALA A 61 22.741 8.169 -2.899 1.00 19.38 O ATOM 538 CB ALA A 61 19.456 8.108 -1.937 1.00 21.47 C ATOM 539 H ALA A 61 19.016 10.382 -2.979 1.00 0.00 H ATOM 540 N VAL A 62 21.170 8.509 -4.561 1.00 20.29 N ATOM 541 CA VAL A 62 22.039 8.060 -5.656 1.00 22.71 C ATOM 542 C VAL A 62 23.313 8.892 -5.769 1.00 22.41 C ATOM 543 O VAL A 62 24.399 8.315 -5.935 1.00 22.95 O ATOM 544 CB VAL A 62 21.310 7.923 -7.016 1.00 26.22 C ATOM 545 CG1 VAL A 62 22.303 7.534 -8.122 1.00 27.37 C ATOM 546 CG2 VAL A 62 20.217 6.863 -6.912 1.00 24.24 C ATOM 547 H VAL A 62 20.209 8.838 -4.782 1.00 0.00 H ATOM 548 N GLU A 63 23.224 10.211 -5.545 1.00 22.78 N ATOM 549 CA GLU A 63 24.448 11.029 -5.607 1.00 25.46 C ATOM 550 C GLU A 63 25.463 10.567 -4.581 1.00 24.14 C ATOM 551 O GLU A 63 26.655 10.503 -4.884 1.00 23.35 O ATOM 552 CB GLU A 63 24.177 12.517 -5.379 1.00 30.39 C ATOM 553 CG GLU A 63 23.387 13.216 -6.469 1.00 39.84 C ATOM 554 CD GLU A 63 22.957 14.618 -6.019 1.00 47.50 C ATOM 555 OE1 GLU A 63 23.822 15.391 -5.543 1.00 54.87 O ATOM 556 OE2 GLU A 63 21.757 14.947 -6.108 1.00 50.54 O ATOM 557 H GLU A 63 22.306 10.650 -5.331 1.00 0.00 H ATOM 558 N GLU A 64 24.981 10.224 -3.368 1.00 23.29 N ATOM 559 CA GLU A 64 25.871 9.830 -2.286 1.00 26.25 C ATOM 560 C GLU A 64 26.484 8.461 -2.522 1.00 23.18 C ATOM 561 O GLU A 64 27.669 8.248 -2.293 1.00 21.22 O ATOM 562 CB GLU A 64 25.174 9.911 -0.932 1.00 28.22 C ATOM 563 CG GLU A 64 25.531 11.194 -0.184 1.00 38.71 C ATOM 564 CD GLU A 64 27.041 11.495 -0.232 1.00 45.99 C ATOM 565 OE1 GLU A 64 27.895 10.567 -0.025 1.00 51.07 O ATOM 566 OE2 GLU A 64 27.374 12.657 -0.530 1.00 47.94 O ATOM 567 H GLU A 64 23.954 10.242 -3.203 1.00 0.00 H ATOM 568 N ILE A 65 25.672 7.547 -3.013 1.00 22.01 N ATOM 569 CA ILE A 65 26.140 6.185 -3.354 1.00 21.39 C ATOM 570 C ILE A 65 27.186 6.231 -4.416 1.00 21.95 C ATOM 571 O ILE A 65 28.227 5.576 -4.275 1.00 22.49 O ATOM 572 CB ILE A 65 24.945 5.321 -3.800 1.00 21.15 C ATOM 573 CG1 ILE A 65 24.019 5.077 -2.582 1.00 20.11 C ATOM 574 CG2 ILE A 65 25.388 3.997 -4.418 1.00 21.23 C ATOM 575 CD1 ILE A 65 22.651 4.543 -2.993 1.00 21.76 C ATOM 576 H ILE A 65 24.672 7.790 -3.166 1.00 0.00 H ATOM 577 N GLU A 66 26.978 7.038 -5.453 1.00 22.86 N ATOM 578 CA GLU A 66 27.973 7.130 -6.538 1.00 25.07 C ATOM 579 C GLU A 66 29.290 7.761 -6.079 1.00 24.30 C ATOM 580 O GLU A 66 30.350 7.335 -6.514 1.00 24.87 O ATOM 581 CB GLU A 66 27.468 7.888 -7.786 1.00 27.28 C ATOM 582 CG GLU A 66 26.301 7.332 -8.579 1.00 30.26 C ATOM 583 CD GLU A 66 26.155 8.064 -9.933 1.00 37.31 C ATOM 584 OE1 GLU A 66 25.480 9.107 -10.001 1.00 36.42 O ATOM 585 OE2 GLU A 66 26.742 7.620 -10.947 1.00 38.51 O ATOM 586 H GLU A 66 26.109 7.607 -5.499 1.00 0.00 H ATOM 587 N LYS A 67 29.225 8.766 -5.190 1.00 26.54 N ATOM 588 CA LYS A 67 30.429 9.367 -4.633 1.00 26.36 C ATOM 589 C LYS A 67 31.287 8.287 -3.959 1.00 25.18 C ATOM 590 O LYS A 67 32.530 8.187 -4.190 1.00 26.10 O ATOM 591 CB LYS A 67 30.036 10.505 -3.678 1.00 27.12 C ATOM 592 CG LYS A 67 31.222 11.270 -3.089 1.00 33.62 C ATOM 593 CD LYS A 67 30.737 12.498 -2.329 1.00 34.48 C ATOM 594 CE LYS A 67 31.814 13.017 -1.393 1.00 39.44 C ATOM 595 NZ LYS A 67 31.298 13.882 -0.283 1.00 44.56 N ATOM 596 HZ1 LYS A 67 30.817 14.711 -0.686 1.00 0.00 H ATOM 597 HZ2 LYS A 67 30.626 13.338 0.295 1.00 0.00 H ATOM 598 HZ3 LYS A 67 32.093 14.195 0.310 1.00 0.00 H ATOM 599 H LYS A 67 28.294 9.123 -4.893 1.00 0.00 H ATOM 600 N VAL A 68 30.621 7.434 -3.165 1.00 21.92 N ATOM 601 CA VAL A 68 31.285 6.417 -2.442 1.00 23.04 C ATOM 602 C VAL A 68 31.743 5.300 -3.387 1.00 24.46 C ATOM 603 O VAL A 68 32.916 4.855 -3.329 1.00 26.44 O ATOM 604 CB VAL A 68 30.429 5.845 -1.300 1.00 22.66 C ATOM 605 CG1 VAL A 68 31.216 4.766 -0.614 1.00 23.24 C ATOM 606 CG2 VAL A 68 30.130 6.962 -0.314 1.00 24.13 C ATOM 607 H VAL A 68 29.588 7.524 -3.079 1.00 0.00 H ATOM 608 N ALA A 69 30.836 4.886 -4.266 1.00 22.37 N ATOM 609 CA ALA A 69 31.091 3.769 -5.184 1.00 25.04 C ATOM 610 C ALA A 69 32.247 4.103 -6.110 1.00 26.31 C ATOM 611 O ALA A 69 33.135 3.269 -6.312 1.00 24.44 O ATOM 612 CB ALA A 69 29.847 3.396 -5.993 1.00 23.83 C ATOM 613 H ALA A 69 29.916 5.369 -4.305 1.00 0.00 H ATOM 614 N ASN A 70 32.279 5.336 -6.606 1.00 28.02 N ATOM 615 CA ASN A 70 33.424 5.737 -7.434 1.00 29.30 C ATOM 616 C ASN A 70 34.755 5.820 -6.720 1.00 26.12 C ATOM 617 O ASN A 70 35.778 5.435 -7.296 1.00 27.72 O ATOM 618 CB ASN A 70 33.130 7.031 -8.169 1.00 30.15 C ATOM 619 CG ASN A 70 32.057 6.857 -9.222 1.00 30.67 C ATOM 620 OD1 ASN A 70 31.484 7.828 -9.675 1.00 34.92 O ATOM 621 ND2 ASN A 70 31.746 5.593 -9.586 1.00 37.24 N ATOM 622 HD22 ASN A 70 32.263 4.791 -9.173 1.00 0.00 H ATOM 623 HD21 ASN A 70 30.990 5.423 -10.279 1.00 0.00 H ATOM 624 H ASN A 70 31.507 6.005 -6.411 1.00 0.00 H ATOM 625 N GLN A 71 34.759 6.295 -5.479 1.00 25.09 N ATOM 626 CA GLN A 71 35.990 6.374 -4.703 1.00 28.16 C ATOM 627 C GLN A 71 36.509 4.962 -4.440 1.00 27.88 C ATOM 628 O GLN A 71 37.716 4.703 -4.465 1.00 28.24 O ATOM 629 CB GLN A 71 35.719 7.075 -3.376 1.00 31.20 C ATOM 630 CG GLN A 71 36.927 7.221 -2.470 1.00 37.10 C ATOM 631 CD GLN A 71 36.893 8.544 -1.725 1.00 44.15 C ATOM 632 OE1 GLN A 71 36.141 8.714 -0.762 1.00 48.13 O ATOM 633 NE2 GLN A 71 37.700 9.500 -2.181 1.00 47.78 N ATOM 634 HE22 GLN A 71 38.318 9.314 -2.996 1.00 0.00 H ATOM 635 HE21 GLN A 71 37.712 10.433 -1.722 1.00 0.00 H ATOM 636 H GLN A 71 33.866 6.617 -5.053 1.00 0.00 H ATOM 637 N LEU A 72 35.585 4.018 -4.253 1.00 25.44 N ATOM 638 CA LEU A 72 36.007 2.650 -3.962 1.00 23.46 C ATOM 639 C LEU A 72 36.159 1.693 -5.178 1.00 23.44 C ATOM 640 O LEU A 72 36.569 0.510 -5.004 1.00 22.66 O ATOM 641 CB LEU A 72 35.090 2.061 -2.915 1.00 24.93 C ATOM 642 CG LEU A 72 35.072 2.757 -1.561 1.00 23.92 C ATOM 643 CD1 LEU A 72 34.221 1.942 -0.609 1.00 25.53 C ATOM 644 CD2 LEU A 72 36.445 2.956 -0.915 1.00 27.65 C ATOM 645 H LEU A 72 34.574 4.254 -4.314 1.00 0.00 H ATOM 646 N LYS A 73 35.890 2.236 -6.366 1.00 23.01 N ATOM 647 CA LYS A 73 35.856 1.510 -7.646 1.00 23.56 C ATOM 648 C LYS A 73 34.941 0.295 -7.548 1.00 22.88 C ATOM 649 O LYS A 73 35.342 -0.817 -7.880 1.00 26.85 O ATOM 650 CB LYS A 73 37.285 1.108 -8.029 1.00 26.09 C ATOM 651 CG LYS A 73 38.249 2.317 -7.923 1.00 29.87 C ATOM 652 CD LYS A 73 39.539 2.113 -8.740 1.00 35.13 C ATOM 653 CE LYS A 73 40.554 3.249 -8.552 1.00 36.67 C ATOM 654 NZ LYS A 73 39.973 4.599 -8.757 1.00 43.46 N ATOM 655 HZ1 LYS A 73 39.599 4.671 -9.725 1.00 0.00 H ATOM 656 HZ2 LYS A 73 39.203 4.751 -8.074 1.00 0.00 H ATOM 657 HZ3 LYS A 73 40.711 5.318 -8.615 1.00 0.00 H ATOM 658 H LYS A 73 35.688 3.256 -6.390 1.00 0.00 H ATOM 659 N VAL A 74 33.716 0.518 -7.062 1.00 21.30 N ATOM 660 CA VAL A 74 32.766 -0.560 -6.837 1.00 21.50 C ATOM 661 C VAL A 74 31.589 -0.341 -7.759 1.00 19.73 C ATOM 662 O VAL A 74 31.104 0.774 -7.840 1.00 21.98 O ATOM 663 CB VAL A 74 32.246 -0.519 -5.379 1.00 22.51 C ATOM 664 CG1 VAL A 74 31.028 -1.447 -5.239 1.00 23.74 C ATOM 665 CG2 VAL A 74 33.380 -0.883 -4.463 1.00 25.66 C ATOM 666 H VAL A 74 33.433 1.493 -6.838 1.00 0.00 H ATOM 667 N ASN A 75 31.211 -1.372 -8.516 1.00 19.82 N ATOM 668 CA ASN A 75 30.035 -1.333 -9.385 1.00 19.76 C ATOM 669 C ASN A 75 28.837 -2.129 -8.910 1.00 17.93 C ATOM 670 O ASN A 75 27.737 -1.994 -9.477 1.00 18.94 O ATOM 671 CB ASN A 75 30.319 -1.783 -10.839 1.00 19.49 C ATOM 672 CG ASN A 75 29.378 -1.116 -11.849 1.00 17.69 C ATOM 673 OD1 ASN A 75 29.213 0.131 -11.901 1.00 18.61 O ATOM 674 ND2 ASN A 75 28.775 -1.943 -12.700 1.00 20.83 N ATOM 675 HD22 ASN A 75 28.933 -2.968 -12.629 1.00 0.00 H ATOM 676 HD21 ASN A 75 28.145 -1.564 -13.436 1.00 0.00 H ATOM 677 H ASN A 75 31.778 -2.243 -8.487 1.00 0.00 H ATOM 678 N ASN A 76 29.042 -3.000 -7.920 1.00 19.51 N ATOM 679 CA ASN A 76 27.951 -3.812 -7.421 1.00 19.01 C ATOM 680 C ASN A 76 27.287 -3.128 -6.231 1.00 18.97 C ATOM 681 O ASN A 76 27.944 -2.742 -5.295 1.00 19.24 O ATOM 682 CB ASN A 76 28.492 -5.151 -6.958 1.00 20.86 C ATOM 683 CG ASN A 76 28.925 -6.012 -8.106 1.00 20.67 C ATOM 684 OD1 ASN A 76 28.673 -5.681 -9.250 1.00 20.01 O ATOM 685 ND2 ASN A 76 29.566 -7.135 -7.808 1.00 25.60 N ATOM 686 HD22 ASN A 76 29.759 -7.376 -6.815 1.00 0.00 H ATOM 687 HD21 ASN A 76 29.875 -7.774 -8.568 1.00 0.00 H ATOM 688 H ASN A 76 29.990 -3.096 -7.504 1.00 0.00 H ATOM 689 N ILE A 77 25.973 -2.969 -6.305 1.00 17.89 N ATOM 690 CA ILE A 77 25.303 -2.239 -5.226 1.00 18.19 C ATOM 691 C ILE A 77 24.138 -3.089 -4.788 1.00 17.85 C ATOM 692 O ILE A 77 23.384 -3.548 -5.601 1.00 18.16 O ATOM 693 CB ILE A 77 24.693 -0.885 -5.709 1.00 20.60 C ATOM 694 CG1 ILE A 77 25.727 -0.034 -6.449 1.00 19.45 C ATOM 695 CG2 ILE A 77 24.009 -0.151 -4.578 1.00 17.81 C ATOM 696 CD1 ILE A 77 26.879 0.432 -5.594 1.00 22.17 C ATOM 697 H ILE A 77 25.433 -3.352 -7.107 1.00 0.00 H ATOM 698 N VAL A 78 23.969 -3.234 -3.457 1.00 15.97 N ATOM 699 CA VAL A 78 22.750 -3.870 -2.963 1.00 17.15 C ATOM 700 C VAL A 78 21.913 -2.763 -2.282 1.00 17.21 C ATOM 701 O VAL A 78 22.429 -2.052 -1.443 1.00 18.49 O ATOM 702 CB VAL A 78 23.080 -4.967 -1.918 1.00 16.29 C ATOM 703 CG1 VAL A 78 21.757 -5.579 -1.404 1.00 17.59 C ATOM 704 CG2 VAL A 78 23.941 -6.066 -2.554 1.00 18.37 C ATOM 705 H VAL A 78 24.696 -2.898 -2.793 1.00 0.00 H ATOM 706 N VAL A 79 20.651 -2.627 -2.678 1.00 15.87 N ATOM 707 CA VAL A 79 19.709 -1.689 -2.062 1.00 16.95 C ATOM 708 C VAL A 79 18.903 -2.508 -1.067 1.00 18.37 C ATOM 709 O VAL A 79 18.113 -3.388 -1.477 1.00 19.37 O ATOM 710 CB VAL A 79 18.803 -1.083 -3.140 1.00 19.65 C ATOM 711 CG1 VAL A 79 17.630 -0.266 -2.581 1.00 20.58 C ATOM 712 CG2 VAL A 79 19.636 -0.199 -4.046 1.00 19.07 C ATOM 713 H VAL A 79 20.315 -3.217 -3.466 1.00 0.00 H ATOM 714 N TYR A 80 19.111 -2.253 0.225 1.00 17.50 N ATOM 715 CA TYR A 80 18.567 -3.122 1.249 1.00 17.47 C ATOM 716 C TYR A 80 17.703 -2.328 2.201 1.00 17.38 C ATOM 717 O TYR A 80 18.198 -1.502 2.954 1.00 17.81 O ATOM 718 CB TYR A 80 19.743 -3.758 1.971 1.00 17.57 C ATOM 719 CG TYR A 80 19.411 -4.956 2.778 1.00 16.97 C ATOM 720 CD1 TYR A 80 18.856 -4.844 4.091 1.00 16.78 C ATOM 721 CD2 TYR A 80 19.648 -6.222 2.260 1.00 18.06 C ATOM 722 CE1 TYR A 80 18.626 -5.993 4.817 1.00 17.60 C ATOM 723 CE2 TYR A 80 19.389 -7.357 3.001 1.00 17.24 C ATOM 724 CZ TYR A 80 18.872 -7.221 4.270 1.00 19.31 C ATOM 725 OH TYR A 80 18.650 -8.349 5.026 1.00 19.46 O ATOM 726 HH TYR A 80 18.280 -8.087 5.906 1.00 0.00 H ATOM 727 H TYR A 80 19.670 -1.421 0.501 1.00 0.00 H ATOM 728 N PRO A 81 16.373 -2.560 2.142 1.00 16.69 N ATOM 729 CA PRO A 81 15.458 -1.809 3.049 1.00 17.14 C ATOM 730 C PRO A 81 15.779 -2.154 4.465 1.00 17.44 C ATOM 731 O PRO A 81 16.006 -3.332 4.748 1.00 18.09 O ATOM 732 CB PRO A 81 14.063 -2.338 2.667 1.00 17.22 C ATOM 733 CG PRO A 81 14.226 -2.879 1.273 1.00 18.68 C ATOM 734 CD PRO A 81 15.626 -3.443 1.223 1.00 18.92 C ATOM 735 N TYR A 82 15.920 -1.122 5.310 1.00 18.53 N ATOM 736 CA TYR A 82 16.395 -1.316 6.666 1.00 20.27 C ATOM 737 C TYR A 82 15.754 -0.307 7.586 1.00 20.45 C ATOM 738 O TYR A 82 16.327 0.740 7.903 1.00 21.80 O ATOM 739 CB TYR A 82 17.928 -1.215 6.730 1.00 21.16 C ATOM 740 CG TYR A 82 18.487 -2.178 7.751 1.00 20.89 C ATOM 741 CD1 TYR A 82 18.451 -3.560 7.512 1.00 23.93 C ATOM 742 CD2 TYR A 82 19.020 -1.738 8.993 1.00 25.08 C ATOM 743 CE1 TYR A 82 18.922 -4.463 8.450 1.00 25.61 C ATOM 744 CE2 TYR A 82 19.497 -2.656 9.941 1.00 27.37 C ATOM 745 CZ TYR A 82 19.457 -4.032 9.642 1.00 27.56 C ATOM 746 OH TYR A 82 19.931 -4.994 10.520 1.00 27.29 O ATOM 747 HH TYR A 82 19.811 -5.892 10.121 1.00 0.00 H ATOM 748 H TYR A 82 15.684 -0.163 4.986 1.00 0.00 H ATOM 749 N ALA A 83 14.571 -0.655 8.040 1.00 20.41 N ATOM 750 CA ALA A 83 13.746 0.386 8.610 1.00 20.90 C ATOM 751 C ALA A 83 14.313 0.727 9.978 1.00 19.60 C ATOM 752 O ALA A 83 14.039 1.791 10.516 1.00 21.63 O ATOM 753 CB ALA A 83 12.328 -0.142 8.747 1.00 20.11 C ATOM 754 H ALA A 83 14.241 -1.640 7.991 1.00 0.00 H ATOM 755 N HIS A 84 15.174 -0.142 10.511 1.00 23.80 N ATOM 756 CA HIS A 84 15.702 0.053 11.890 1.00 22.76 C ATOM 757 C HIS A 84 16.614 1.247 12.047 1.00 23.09 C ATOM 758 O HIS A 84 16.919 1.648 13.185 1.00 23.20 O ATOM 759 CB HIS A 84 16.402 -1.212 12.379 1.00 26.61 C ATOM 760 CG HIS A 84 15.717 -2.467 11.950 1.00 34.29 C ATOM 761 ND1 HIS A 84 14.722 -3.029 12.671 1.00 34.44 N ATOM 762 CD2 HIS A 84 15.856 -3.234 10.795 1.00 37.82 C ATOM 763 CE1 HIS A 84 14.288 -4.133 12.040 1.00 38.31 C ATOM 764 NE2 HIS A 84 14.969 -4.253 10.888 1.00 40.68 N ATOM 765 H HIS A 84 15.480 -0.966 9.956 1.00 0.00 H ATOM 766 N LEU A 85 17.085 1.821 10.935 1.00 21.39 N ATOM 767 CA LEU A 85 17.941 3.013 10.986 1.00 21.68 C ATOM 768 C LEU A 85 17.212 4.297 11.387 1.00 23.33 C ATOM 769 O LEU A 85 17.867 5.317 11.609 1.00 24.35 O ATOM 770 CB LEU A 85 18.680 3.270 9.653 1.00 22.67 C ATOM 771 CG LEU A 85 19.445 2.072 9.094 1.00 22.80 C ATOM 772 CD1 LEU A 85 20.145 2.474 7.801 1.00 24.94 C ATOM 773 CD2 LEU A 85 20.378 1.516 10.141 1.00 25.36 C ATOM 774 H LEU A 85 16.839 1.413 10.011 1.00 0.00 H ATOM 775 N SER A 86 15.873 4.252 11.458 1.00 21.86 N ATOM 776 CA SER A 86 15.105 5.456 11.794 1.00 23.96 C ATOM 777 C SER A 86 13.843 5.136 12.567 1.00 26.77 C ATOM 778 O SER A 86 13.251 4.104 12.338 1.00 28.42 O ATOM 779 CB SER A 86 14.763 6.209 10.490 1.00 26.17 C ATOM 780 OG SER A 86 13.942 7.342 10.752 1.00 31.82 O ATOM 781 HG SER A 86 13.739 7.805 9.901 1.00 0.00 H ATOM 782 H SER A 86 15.376 3.357 11.274 1.00 0.00 H ATOM 783 N SER A 87 13.473 5.998 13.535 1.00 26.77 N ATOM 784 CA SER A 87 12.231 5.804 14.265 1.00 27.31 C ATOM 785 C SER A 87 11.161 6.784 13.764 1.00 25.64 C ATOM 786 O SER A 87 10.127 6.953 14.402 1.00 29.54 O ATOM 787 CB SER A 87 12.466 6.016 15.769 1.00 27.59 C ATOM 788 OG SER A 87 13.049 7.293 15.958 1.00 28.77 O ATOM 789 HG SER A 87 13.910 7.337 15.472 1.00 0.00 H ATOM 790 H SER A 87 14.082 6.810 13.762 1.00 0.00 H ATOM 791 N ASP A 88 11.402 7.387 12.611 1.00 26.09 N ATOM 792 CA ASP A 88 10.493 8.310 11.963 1.00 25.69 C ATOM 793 C ASP A 88 10.267 7.908 10.523 1.00 23.16 C ATOM 794 O ASP A 88 10.692 8.612 9.608 1.00 24.07 O ATOM 795 CB ASP A 88 11.070 9.735 12.034 1.00 28.21 C ATOM 796 CG ASP A 88 11.142 10.273 13.469 1.00 33.73 C ATOM 797 OD1 ASP A 88 10.122 10.772 13.972 1.00 29.45 O ATOM 798 OD2 ASP A 88 12.217 10.181 14.115 1.00 34.74 O ATOM 799 H ASP A 88 12.306 7.184 12.138 1.00 0.00 H ATOM 800 N LEU A 89 9.557 6.814 10.289 1.00 21.87 N ATOM 801 CA LEU A 89 9.536 6.247 8.935 1.00 22.19 C ATOM 802 C LEU A 89 8.523 6.843 8.009 1.00 20.26 C ATOM 803 O LEU A 89 7.411 7.203 8.437 1.00 24.17 O ATOM 804 CB LEU A 89 9.304 4.728 9.037 1.00 21.77 C ATOM 805 CG LEU A 89 10.408 3.906 9.715 1.00 20.68 C ATOM 806 CD1 LEU A 89 9.926 2.461 9.827 1.00 22.54 C ATOM 807 CD2 LEU A 89 11.786 4.003 9.060 1.00 23.07 C ATOM 808 H LEU A 89 9.020 6.362 11.056 1.00 0.00 H ATOM 809 N SER A 90 8.821 6.882 6.710 1.00 21.50 N ATOM 810 CA SER A 90 7.761 7.123 5.757 1.00 21.95 C ATOM 811 C SER A 90 6.701 6.006 5.699 1.00 22.04 C ATOM 812 O SER A 90 6.880 4.865 6.175 1.00 21.78 O ATOM 813 CB SER A 90 8.326 7.342 4.348 1.00 19.56 C ATOM 814 OG SER A 90 8.618 6.058 3.785 1.00 22.93 O ATOM 815 HG SER A 90 7.787 5.521 3.742 1.00 0.00 H ATOM 816 H SER A 90 9.800 6.741 6.388 1.00 0.00 H ATOM 817 N SER A 91 5.582 6.305 5.054 1.00 24.14 N ATOM 818 CA SER A 91 4.591 5.262 4.725 1.00 23.73 C ATOM 819 C SER A 91 5.244 4.135 3.848 1.00 25.14 C ATOM 820 O SER A 91 6.248 4.364 3.160 1.00 23.30 O ATOM 821 CB SER A 91 3.437 5.895 3.953 1.00 24.33 C ATOM 822 OG SER A 91 3.866 6.153 2.610 1.00 23.16 O ATOM 823 HG SER A 91 4.639 6.771 2.625 1.00 0.00 H ATOM 824 H SER A 91 5.400 7.290 4.775 1.00 0.00 H ATOM 825 N PRO A 92 4.678 2.933 3.874 1.00 26.63 N ATOM 826 CA PRO A 92 5.236 1.879 2.998 1.00 23.67 C ATOM 827 C PRO A 92 5.143 2.231 1.515 1.00 24.23 C ATOM 828 O PRO A 92 6.069 1.894 0.766 1.00 23.77 O ATOM 829 CB PRO A 92 4.449 0.629 3.362 1.00 28.82 C ATOM 830 CG PRO A 92 3.642 0.992 4.561 1.00 27.71 C ATOM 831 CD PRO A 92 3.484 2.470 4.607 1.00 27.94 C ATOM 832 N GLU A 93 4.058 2.883 1.051 1.00 23.00 N ATOM 833 CA GLU A 93 3.978 3.153 -0.388 1.00 24.35 C ATOM 834 C GLU A 93 5.071 4.093 -0.838 1.00 22.06 C ATOM 835 O GLU A 93 5.627 3.899 -1.925 1.00 21.76 O ATOM 836 CB GLU A 93 2.606 3.633 -0.837 1.00 27.32 C ATOM 837 CG GLU A 93 2.253 5.032 -0.361 1.00 38.82 C ATOM 838 CD GLU A 93 1.553 5.889 -1.424 1.00 48.96 C ATOM 839 OE1 GLU A 93 0.295 5.985 -1.380 1.00 59.31 O ATOM 840 OE2 GLU A 93 2.265 6.464 -2.301 1.00 52.94 O ATOM 841 H GLU A 93 3.300 3.186 1.695 1.00 0.00 H ATOM 842 N THR A 94 5.375 5.099 -0.015 1.00 20.42 N ATOM 843 CA THR A 94 6.468 6.050 -0.333 1.00 22.06 C ATOM 844 C THR A 94 7.797 5.314 -0.291 1.00 23.24 C ATOM 845 O THR A 94 8.644 5.525 -1.155 1.00 23.07 O ATOM 846 CB THR A 94 6.513 7.247 0.650 1.00 24.40 C ATOM 847 OG1 THR A 94 5.369 8.075 0.398 1.00 27.16 O ATOM 848 CG2 THR A 94 7.782 8.076 0.423 1.00 22.14 C ATOM 849 HG1 THR A 94 5.398 8.400 -0.537 1.00 0.00 H ATOM 850 H THR A 94 4.835 5.218 0.866 1.00 0.00 H ATOM 851 N ALA A 95 7.946 4.414 0.681 1.00 19.69 N ATOM 852 CA ALA A 95 9.248 3.763 0.890 1.00 20.72 C ATOM 853 C ALA A 95 9.594 2.870 -0.297 1.00 21.22 C ATOM 854 O ALA A 95 10.706 2.966 -0.821 1.00 20.96 O ATOM 855 CB ALA A 95 9.263 2.965 2.189 1.00 17.45 C ATOM 856 H ALA A 95 7.140 4.172 1.292 1.00 0.00 H ATOM 857 N VAL A 96 8.640 2.058 -0.738 1.00 20.62 N ATOM 858 CA VAL A 96 8.773 1.230 -1.928 1.00 23.11 C ATOM 859 C VAL A 96 9.140 2.060 -3.139 1.00 21.84 C ATOM 860 O VAL A 96 10.040 1.685 -3.916 1.00 22.24 O ATOM 861 CB VAL A 96 7.430 0.510 -2.296 1.00 24.57 C ATOM 862 CG1 VAL A 96 7.596 -0.274 -3.597 1.00 31.95 C ATOM 863 CG2 VAL A 96 7.045 -0.459 -1.192 1.00 28.48 C ATOM 864 H VAL A 96 7.749 2.011 -0.204 1.00 0.00 H ATOM 865 N LYS A 97 8.400 3.155 -3.357 1.00 21.80 N ATOM 866 CA LYS A 97 8.616 4.059 -4.477 1.00 21.91 C ATOM 867 C LYS A 97 10.057 4.573 -4.512 1.00 21.57 C ATOM 868 O LYS A 97 10.719 4.525 -5.571 1.00 20.34 O ATOM 869 CB LYS A 97 7.632 5.239 -4.362 1.00 21.53 C ATOM 870 CG LYS A 97 7.650 6.293 -5.488 1.00 29.55 C ATOM 871 CD LYS A 97 6.953 7.560 -4.959 1.00 26.00 C ATOM 872 CE LYS A 97 5.456 7.497 -5.156 1.00 32.55 C ATOM 873 NZ LYS A 97 4.889 8.716 -4.496 1.00 35.64 N ATOM 874 HZ1 LYS A 97 5.132 8.706 -3.485 1.00 0.00 H ATOM 875 HZ2 LYS A 97 5.288 9.567 -4.941 1.00 0.00 H ATOM 876 HZ3 LYS A 97 3.855 8.718 -4.605 1.00 0.00 H ATOM 877 H LYS A 97 7.631 3.371 -2.691 1.00 0.00 H ATOM 878 N VAL A 98 10.536 5.026 -3.361 1.00 20.33 N ATOM 879 CA VAL A 98 11.875 5.605 -3.269 1.00 18.22 C ATOM 880 C VAL A 98 12.943 4.541 -3.498 1.00 17.74 C ATOM 881 O VAL A 98 13.878 4.794 -4.238 1.00 19.44 O ATOM 882 CB VAL A 98 12.100 6.327 -1.951 1.00 21.65 C ATOM 883 CG1 VAL A 98 13.539 6.708 -1.800 1.00 20.12 C ATOM 884 CG2 VAL A 98 11.256 7.581 -1.860 1.00 17.90 C ATOM 885 H VAL A 98 9.947 4.968 -2.506 1.00 0.00 H ATOM 886 N LEU A 99 12.802 3.352 -2.888 1.00 16.65 N ATOM 887 CA LEU A 99 13.795 2.232 -3.045 1.00 15.75 C ATOM 888 C LEU A 99 13.867 1.809 -4.521 1.00 16.87 C ATOM 889 O LEU A 99 14.978 1.579 -5.041 1.00 18.60 O ATOM 890 CB LEU A 99 13.365 1.043 -2.179 1.00 17.40 C ATOM 891 CG LEU A 99 13.503 1.445 -0.693 1.00 18.05 C ATOM 892 CD1 LEU A 99 12.762 0.494 0.219 1.00 18.02 C ATOM 893 CD2 LEU A 99 14.982 1.455 -0.329 1.00 20.13 C ATOM 894 H LEU A 99 11.971 3.199 -2.281 1.00 0.00 H ATOM 895 N LYS A 100 12.712 1.676 -5.178 1.00 18.05 N ATOM 896 CA LYS A 100 12.740 1.242 -6.573 1.00 20.09 C ATOM 897 C LYS A 100 13.360 2.321 -7.448 1.00 19.86 C ATOM 898 O LYS A 100 14.057 2.009 -8.420 1.00 21.83 O ATOM 899 CB LYS A 100 11.362 0.880 -7.093 1.00 23.71 C ATOM 900 CG LYS A 100 10.962 -0.491 -6.622 1.00 22.86 C ATOM 901 CD LYS A 100 9.486 -0.733 -6.904 1.00 27.38 C ATOM 902 CE LYS A 100 9.122 -2.102 -6.360 1.00 27.84 C ATOM 903 NZ LYS A 100 7.802 -2.562 -6.888 1.00 30.98 N ATOM 904 HZ1 LYS A 100 7.063 -1.886 -6.607 1.00 0.00 H ATOM 905 HZ2 LYS A 100 7.846 -2.618 -7.926 1.00 0.00 H ATOM 906 HZ3 LYS A 100 7.582 -3.500 -6.498 1.00 0.00 H ATOM 907 H LYS A 100 11.808 1.878 -4.705 1.00 0.00 H ATOM 908 N ASP A 101 13.158 3.585 -7.095 1.00 20.93 N ATOM 909 CA ASP A 101 13.738 4.688 -7.903 1.00 21.70 C ATOM 910 C ASP A 101 15.265 4.705 -7.782 1.00 19.81 C ATOM 911 O ASP A 101 15.962 4.860 -8.815 1.00 19.30 O ATOM 912 CB ASP A 101 13.117 6.016 -7.445 1.00 23.78 C ATOM 913 CG ASP A 101 13.255 7.132 -8.457 1.00 34.55 C ATOM 914 OD1 ASP A 101 13.524 6.877 -9.659 1.00 36.62 O ATOM 915 OD2 ASP A 101 13.040 8.311 -8.045 1.00 40.44 O ATOM 916 H ASP A 101 12.592 3.803 -6.250 1.00 0.00 H ATOM 917 N ILE A 102 15.785 4.512 -6.566 1.00 18.70 N ATOM 918 CA ILE A 102 17.273 4.444 -6.283 1.00 17.77 C ATOM 919 C ILE A 102 17.839 3.340 -7.140 1.00 19.79 C ATOM 920 O ILE A 102 18.805 3.583 -7.880 1.00 18.71 O ATOM 921 CB ILE A 102 17.576 4.213 -4.797 1.00 16.44 C ATOM 922 CG1 ILE A 102 17.233 5.502 -4.040 1.00 16.21 C ATOM 923 CG2 ILE A 102 19.045 3.772 -4.606 1.00 16.94 C ATOM 924 CD1 ILE A 102 17.306 5.246 -2.514 1.00 16.49 C ATOM 925 H ILE A 102 15.130 4.402 -5.766 1.00 0.00 H ATOM 926 N GLU A 103 17.157 2.174 -7.151 1.00 19.15 N ATOM 927 CA GLU A 103 17.559 1.051 -7.999 1.00 20.13 C ATOM 928 C GLU A 103 17.546 1.465 -9.478 1.00 21.01 C ATOM 929 O GLU A 103 18.546 1.335 -10.179 1.00 19.17 O ATOM 930 CB GLU A 103 16.659 -0.147 -7.851 1.00 19.09 C ATOM 931 CG GLU A 103 17.055 -1.305 -8.821 1.00 21.72 C ATOM 932 CD GLU A 103 16.092 -2.479 -8.776 1.00 25.09 C ATOM 933 OE1 GLU A 103 14.927 -2.292 -8.470 1.00 27.06 O ATOM 934 OE2 GLU A 103 16.497 -3.607 -9.091 1.00 27.83 O ATOM 935 H GLU A 103 16.322 2.071 -6.539 1.00 0.00 H ATOM 936 N SER A 104 16.405 1.967 -9.936 1.00 18.59 N ATOM 937 CA SER A 104 16.229 2.311 -11.349 1.00 22.77 C ATOM 938 C SER A 104 17.302 3.303 -11.859 1.00 21.83 C ATOM 939 O SER A 104 17.858 3.121 -12.945 1.00 21.14 O ATOM 940 CB SER A 104 14.852 2.954 -11.500 1.00 23.73 C ATOM 941 OG SER A 104 14.636 3.266 -12.843 1.00 34.19 O ATOM 942 HG SER A 104 13.744 3.683 -12.944 1.00 0.00 H ATOM 943 H SER A 104 15.617 2.120 -9.275 1.00 0.00 H ATOM 944 N ILE A 105 17.531 4.375 -11.102 1.00 20.32 N ATOM 945 CA ILE A 105 18.531 5.415 -11.452 1.00 20.13 C ATOM 946 C ILE A 105 19.943 4.829 -11.463 1.00 21.44 C ATOM 947 O ILE A 105 20.732 5.041 -12.427 1.00 21.70 O ATOM 948 CB ILE A 105 18.450 6.629 -10.482 1.00 21.15 C ATOM 949 CG1 ILE A 105 17.082 7.277 -10.564 1.00 22.19 C ATOM 950 CG2 ILE A 105 19.569 7.675 -10.758 1.00 21.47 C ATOM 951 CD1 ILE A 105 16.767 8.120 -9.355 1.00 22.01 C ATOM 952 H ILE A 105 16.984 4.489 -10.225 1.00 0.00 H ATOM 953 N LEU A 106 20.284 4.057 -10.434 1.00 21.78 N ATOM 954 CA LEU A 106 21.614 3.368 -10.459 1.00 18.50 C ATOM 955 C LEU A 106 21.791 2.497 -11.708 1.00 19.34 C ATOM 956 O LEU A 106 22.857 2.476 -12.303 1.00 21.05 O ATOM 957 CB LEU A 106 21.836 2.535 -9.191 1.00 18.86 C ATOM 958 CG LEU A 106 22.163 3.348 -7.931 1.00 19.08 C ATOM 959 CD1 LEU A 106 21.878 2.415 -6.737 1.00 18.61 C ATOM 960 CD2 LEU A 106 23.606 3.928 -7.898 1.00 18.97 C ATOM 961 H LEU A 106 19.639 3.934 -9.627 1.00 0.00 H ATOM 962 N LYS A 107 20.769 1.741 -12.099 1.00 18.38 N ATOM 963 CA LYS A 107 20.891 0.866 -13.312 1.00 20.98 C ATOM 964 C LYS A 107 21.099 1.763 -14.528 1.00 19.76 C ATOM 965 O LYS A 107 21.832 1.382 -15.427 1.00 20.89 O ATOM 966 CB LYS A 107 19.614 0.029 -13.544 1.00 20.75 C ATOM 967 CG LYS A 107 19.419 -1.037 -12.481 1.00 24.81 C ATOM 968 CD LYS A 107 18.020 -1.648 -12.579 1.00 28.43 C ATOM 969 CE LYS A 107 17.906 -2.565 -13.784 1.00 33.06 C ATOM 970 NZ LYS A 107 18.911 -3.681 -13.721 1.00 36.81 N ATOM 971 HZ1 LYS A 107 19.871 -3.281 -13.700 1.00 0.00 H ATOM 972 HZ2 LYS A 107 18.749 -4.243 -12.861 1.00 0.00 H ATOM 973 HZ3 LYS A 107 18.806 -4.288 -14.559 1.00 0.00 H ATOM 974 H LYS A 107 19.879 1.756 -11.561 1.00 0.00 H ATOM 975 N GLU A 108 20.472 2.944 -14.567 1.00 20.79 N ATOM 976 CA GLU A 108 20.595 3.824 -15.748 1.00 20.49 C ATOM 977 C GLU A 108 22.002 4.367 -15.796 1.00 22.56 C ATOM 978 O GLU A 108 22.489 4.784 -16.859 1.00 23.58 O ATOM 979 CB GLU A 108 19.612 5.023 -15.675 1.00 21.20 C ATOM 980 CG GLU A 108 18.140 4.661 -15.822 1.00 25.20 C ATOM 981 CD GLU A 108 17.159 5.817 -15.524 1.00 30.94 C ATOM 982 OE1 GLU A 108 17.608 6.911 -15.032 1.00 34.51 O ATOM 983 OE2 GLU A 108 15.926 5.618 -15.756 1.00 31.62 O ATOM 984 H GLU A 108 19.892 3.246 -13.758 1.00 0.00 H ATOM 985 N ARG A 109 22.685 4.287 -14.671 1.00 20.84 N ATOM 986 CA ARG A 109 24.040 4.827 -14.573 1.00 22.37 C ATOM 987 C ARG A 109 25.097 3.745 -14.644 1.00 20.55 C ATOM 988 O ARG A 109 26.266 3.981 -14.324 1.00 23.44 O ATOM 989 CB ARG A 109 24.150 5.706 -13.327 1.00 23.10 C ATOM 990 CG ARG A 109 23.324 6.998 -13.442 1.00 25.31 C ATOM 991 CD ARG A 109 23.417 7.877 -12.187 1.00 29.68 C ATOM 992 NE ARG A 109 22.385 8.939 -12.213 1.00 36.13 N ATOM 993 CZ ARG A 109 22.298 10.011 -11.396 1.00 35.39 C ATOM 994 NH1 ARG A 109 23.197 10.263 -10.453 1.00 35.38 N ATOM 995 NH2 ARG A 109 21.292 10.863 -11.540 1.00 39.49 N ATOM 996 HE ARG A 109 21.647 8.850 -12.940 1.00 0.00 H ATOM 997 HH12 ARG A 109 23.092 11.100 -9.845 1.00 0.00 H ATOM 998 HH11 ARG A 109 24.006 9.623 -10.322 1.00 0.00 H ATOM 999 HH22 ARG A 109 21.218 11.691 -10.915 1.00 0.00 H ATOM 1000 HH21 ARG A 109 20.577 10.703 -12.278 1.00 0.00 H ATOM 1001 H ARG A 109 22.253 3.833 -13.841 1.00 0.00 H ATOM 1002 N GLY A 110 24.679 2.550 -15.072 1.00 19.69 N ATOM 1003 CA GLY A 110 25.513 1.385 -15.293 1.00 17.89 C ATOM 1004 C GLY A 110 25.941 0.520 -14.157 1.00 18.74 C ATOM 1005 O GLY A 110 26.879 -0.344 -14.290 1.00 20.58 O ATOM 1006 H GLY A 110 23.662 2.446 -15.264 1.00 0.00 H ATOM 1007 N TYR A 111 25.321 0.730 -13.001 1.00 16.46 N ATOM 1008 CA TYR A 111 25.626 -0.114 -11.874 1.00 18.82 C ATOM 1009 C TYR A 111 24.949 -1.482 -11.971 1.00 18.97 C ATOM 1010 O TYR A 111 23.911 -1.642 -12.673 1.00 21.71 O ATOM 1011 CB TYR A 111 25.213 0.614 -10.553 1.00 17.24 C ATOM 1012 CG TYR A 111 26.122 1.785 -10.249 1.00 18.46 C ATOM 1013 CD1 TYR A 111 27.333 1.576 -9.582 1.00 21.65 C ATOM 1014 CD2 TYR A 111 25.838 3.087 -10.739 1.00 17.82 C ATOM 1015 CE1 TYR A 111 28.201 2.638 -9.364 1.00 22.18 C ATOM 1016 CE2 TYR A 111 26.693 4.152 -10.495 1.00 19.76 C ATOM 1017 CZ TYR A 111 27.881 3.914 -9.820 1.00 23.49 C ATOM 1018 OH TYR A 111 28.761 4.994 -9.613 1.00 24.65 O ATOM 1019 HH TYR A 111 29.560 4.677 -9.122 1.00 0.00 H ATOM 1020 H TYR A 111 24.623 1.496 -12.911 1.00 0.00 H ATOM 1021 N ASN A 112 25.540 -2.467 -11.307 1.00 18.71 N ATOM 1022 CA ASN A 112 24.985 -3.809 -11.179 1.00 20.39 C ATOM 1023 C ASN A 112 24.237 -3.853 -9.831 1.00 18.56 C ATOM 1024 O ASN A 112 24.866 -3.897 -8.815 1.00 20.07 O ATOM 1025 CB ASN A 112 26.126 -4.801 -11.205 1.00 20.07 C ATOM 1026 CG ASN A 112 25.666 -6.259 -11.107 1.00 22.15 C ATOM 1027 OD1 ASN A 112 26.427 -7.135 -10.686 1.00 22.92 O ATOM 1028 ND2 ASN A 112 24.412 -6.510 -11.453 1.00 19.36 N ATOM 1029 HD22 ASN A 112 23.805 -5.741 -11.803 1.00 0.00 H ATOM 1030 HD21 ASN A 112 24.034 -7.476 -11.375 1.00 0.00 H ATOM 1031 H ASN A 112 26.454 -2.270 -10.851 1.00 0.00 H ATOM 1032 N VAL A 113 22.897 -3.824 -9.850 1.00 18.42 N ATOM 1033 CA VAL A 113 22.107 -3.580 -8.618 1.00 19.02 C ATOM 1034 C VAL A 113 21.250 -4.789 -8.274 1.00 17.67 C ATOM 1035 O VAL A 113 20.611 -5.406 -9.140 1.00 17.91 O ATOM 1036 CB VAL A 113 21.190 -2.353 -8.712 1.00 19.01 C ATOM 1037 CG1 VAL A 113 20.457 -2.060 -7.358 1.00 18.55 C ATOM 1038 CG2 VAL A 113 21.938 -1.128 -9.241 1.00 21.70 C ATOM 1039 H VAL A 113 22.399 -3.976 -10.750 1.00 0.00 H ATOM 1040 N LEU A 114 21.249 -5.151 -6.997 1.00 17.61 N ATOM 1041 CA LEU A 114 20.386 -6.184 -6.525 1.00 19.27 C ATOM 1042 C LEU A 114 19.511 -5.497 -5.481 1.00 18.58 C ATOM 1043 O LEU A 114 20.020 -4.918 -4.538 1.00 19.02 O ATOM 1044 CB LEU A 114 21.204 -7.299 -5.881 1.00 18.85 C ATOM 1045 CG LEU A 114 20.408 -8.324 -5.068 1.00 19.88 C ATOM 1046 CD1 LEU A 114 19.286 -8.883 -5.955 1.00 21.60 C ATOM 1047 CD2 LEU A 114 21.326 -9.441 -4.604 1.00 22.88 C ATOM 1048 H LEU A 114 21.888 -4.674 -6.330 1.00 0.00 H ATOM 1049 N ARG A 115 18.205 -5.555 -5.672 1.00 19.04 N ATOM 1050 CA ARG A 115 17.316 -4.930 -4.694 1.00 19.64 C ATOM 1051 C ARG A 115 16.765 -6.048 -3.789 1.00 17.68 C ATOM 1052 O ARG A 115 16.105 -6.925 -4.302 1.00 19.59 O ATOM 1053 CB ARG A 115 16.152 -4.257 -5.407 1.00 21.04 C ATOM 1054 CG ARG A 115 15.424 -3.347 -4.363 1.00 23.94 C ATOM 1055 CD ARG A 115 14.384 -2.465 -5.058 1.00 28.14 C ATOM 1056 NE ARG A 115 13.429 -3.211 -5.863 1.00 34.40 N ATOM 1057 CZ ARG A 115 12.545 -4.093 -5.414 1.00 33.66 C ATOM 1058 NH1 ARG A 115 12.465 -4.349 -4.108 1.00 44.26 N ATOM 1059 NH2 ARG A 115 11.728 -4.721 -6.266 1.00 32.90 N ATOM 1060 HE ARG A 115 13.440 -3.036 -6.888 1.00 0.00 H ATOM 1061 HH12 ARG A 115 11.773 -5.040 -3.755 1.00 0.00 H ATOM 1062 HH11 ARG A 115 13.095 -3.858 -3.442 1.00 0.00 H ATOM 1063 HH22 ARG A 115 11.037 -5.412 -5.910 1.00 0.00 H ATOM 1064 HH21 ARG A 115 11.784 -4.519 -7.285 1.00 0.00 H ATOM 1065 H ARG A 115 17.815 -6.038 -6.506 1.00 0.00 H ATOM 1066 N ALA A 116 16.963 -5.980 -2.452 1.00 17.23 N ATOM 1067 CA ALA A 116 16.313 -6.917 -1.591 1.00 18.75 C ATOM 1068 C ALA A 116 14.825 -6.515 -1.421 1.00 19.66 C ATOM 1069 O ALA A 116 14.499 -5.349 -1.507 1.00 19.02 O ATOM 1070 CB ALA A 116 16.998 -6.987 -0.254 1.00 17.89 C ATOM 1071 H ALA A 116 17.586 -5.249 -2.053 1.00 0.00 H ATOM 1072 N PRO A 117 13.938 -7.499 -1.213 1.00 17.42 N ATOM 1073 CA PRO A 117 12.496 -7.256 -1.309 1.00 18.36 C ATOM 1074 C PRO A 117 11.996 -6.481 -0.081 1.00 18.58 C ATOM 1075 O PRO A 117 12.554 -6.621 1.029 1.00 26.14 O ATOM 1076 CB PRO A 117 11.900 -8.692 -1.336 1.00 18.22 C ATOM 1077 CG PRO A 117 12.890 -9.497 -0.626 1.00 20.23 C ATOM 1078 CD PRO A 117 14.227 -8.948 -1.097 1.00 19.19 C ATOM 1079 N PHE A 118 11.036 -5.617 -0.318 1.00 20.10 N ATOM 1080 CA PHE A 118 10.490 -4.724 0.701 1.00 18.96 C ATOM 1081 C PHE A 118 9.479 -5.484 1.537 1.00 18.01 C ATOM 1082 O PHE A 118 8.679 -6.268 1.024 1.00 20.35 O ATOM 1083 CB PHE A 118 9.766 -3.558 0.017 1.00 18.34 C ATOM 1084 CG PHE A 118 9.243 -2.545 0.950 1.00 19.64 C ATOM 1085 CD1 PHE A 118 10.056 -1.534 1.434 1.00 22.18 C ATOM 1086 CD2 PHE A 118 7.911 -2.622 1.380 1.00 20.17 C ATOM 1087 CE1 PHE A 118 9.543 -0.606 2.319 1.00 20.27 C ATOM 1088 CE2 PHE A 118 7.405 -1.700 2.302 1.00 21.63 C ATOM 1089 CZ PHE A 118 8.235 -0.685 2.757 1.00 21.64 C ATOM 1090 H PHE A 118 10.644 -5.566 -1.280 1.00 0.00 H ATOM 1091 N GLY A 119 9.510 -5.251 2.832 1.00 18.12 N ATOM 1092 CA GLY A 119 8.388 -5.694 3.685 1.00 20.34 C ATOM 1093 C GLY A 119 8.523 -7.115 4.209 1.00 21.14 C ATOM 1094 O GLY A 119 7.519 -7.710 4.593 1.00 21.70 O ATOM 1095 H GLY A 119 10.322 -4.756 3.254 1.00 0.00 H ATOM 1096 N TRP A 120 9.736 -7.671 4.185 1.00 18.96 N ATOM 1097 CA TRP A 120 9.996 -8.996 4.751 1.00 21.88 C ATOM 1098 C TRP A 120 10.952 -8.947 5.905 1.00 23.47 C ATOM 1099 O TRP A 120 11.816 -8.053 5.985 1.00 20.90 O ATOM 1100 CB TRP A 120 10.653 -9.906 3.726 1.00 20.87 C ATOM 1101 CG TRP A 120 9.806 -10.325 2.568 1.00 22.43 C ATOM 1102 CD1 TRP A 120 9.462 -9.585 1.428 1.00 21.44 C ATOM 1103 CD2 TRP A 120 9.187 -11.623 2.381 1.00 23.33 C ATOM 1104 NE1 TRP A 120 8.683 -10.320 0.597 1.00 21.71 N ATOM 1105 CE2 TRP A 120 8.472 -11.555 1.116 1.00 21.23 C ATOM 1106 CE3 TRP A 120 9.161 -12.812 3.123 1.00 23.11 C ATOM 1107 CZ2 TRP A 120 7.811 -12.647 0.592 1.00 26.20 C ATOM 1108 CZ3 TRP A 120 8.476 -13.895 2.603 1.00 25.07 C ATOM 1109 CH2 TRP A 120 7.821 -13.811 1.357 1.00 26.90 C ATOM 1110 HE1 TRP A 120 8.301 -9.984 -0.310 1.00 0.00 H ATOM 1111 H TRP A 120 10.522 -7.146 3.750 1.00 0.00 H ATOM 1112 N TYR A 121 10.889 -9.960 6.782 1.00 21.27 N ATOM 1113 CA TYR A 121 11.935 -10.151 7.730 1.00 20.97 C ATOM 1114 C TYR A 121 12.928 -11.045 7.039 1.00 20.66 C ATOM 1115 O TYR A 121 12.561 -12.059 6.466 1.00 19.66 O ATOM 1116 CB TYR A 121 11.378 -10.753 9.051 1.00 22.75 C ATOM 1117 CG TYR A 121 10.726 -9.690 9.905 1.00 22.35 C ATOM 1118 CD1 TYR A 121 11.516 -8.710 10.488 1.00 21.66 C ATOM 1119 CD2 TYR A 121 9.327 -9.687 10.159 1.00 21.85 C ATOM 1120 CE1 TYR A 121 10.970 -7.696 11.261 1.00 23.11 C ATOM 1121 CE2 TYR A 121 8.777 -8.702 10.952 1.00 21.98 C ATOM 1122 CZ TYR A 121 9.608 -7.700 11.491 1.00 23.08 C ATOM 1123 OH TYR A 121 9.132 -6.676 12.321 1.00 25.34 O ATOM 1124 HH TYR A 121 9.884 -6.088 12.582 1.00 0.00 H ATOM 1125 H TYR A 121 10.075 -10.607 6.770 1.00 0.00 H ATOM 1126 N LYS A 122 14.213 -10.628 7.033 1.00 19.06 N ATOM 1127 CA LYS A 122 15.167 -11.372 6.269 1.00 20.68 C ATOM 1128 C LYS A 122 16.434 -11.725 7.004 1.00 17.93 C ATOM 1129 O LYS A 122 16.931 -10.939 7.838 1.00 20.49 O ATOM 1130 CB LYS A 122 15.616 -10.556 5.019 1.00 22.25 C ATOM 1131 CG LYS A 122 14.449 -10.075 4.170 1.00 27.87 C ATOM 1132 CD LYS A 122 14.898 -9.543 2.823 1.00 30.71 C ATOM 1133 CE LYS A 122 15.542 -8.191 2.977 1.00 31.13 C ATOM 1134 NZ LYS A 122 14.618 -7.278 3.671 1.00 36.32 N ATOM 1135 HZ1 LYS A 122 13.744 -7.183 3.116 1.00 0.00 H ATOM 1136 HZ2 LYS A 122 14.393 -7.663 4.611 1.00 0.00 H ATOM 1137 HZ3 LYS A 122 15.067 -6.346 3.775 1.00 0.00 H ATOM 1138 H LYS A 122 14.502 -9.786 7.571 1.00 0.00 H ATOM 1139 N ALA A 123 16.975 -12.883 6.636 1.00 16.47 N ATOM 1140 CA ALA A 123 18.255 -13.345 7.134 1.00 18.18 C ATOM 1141 C ALA A 123 19.283 -12.737 6.220 1.00 18.65 C ATOM 1142 O ALA A 123 18.992 -12.523 5.064 1.00 18.68 O ATOM 1143 CB ALA A 123 18.356 -14.858 7.142 1.00 14.04 C ATOM 1144 H ALA A 123 16.457 -13.482 5.962 1.00 0.00 H ATOM 1145 N PHE A 124 20.455 -12.390 6.744 1.00 19.08 N ATOM 1146 CA PHE A 124 21.503 -11.934 5.861 1.00 20.38 C ATOM 1147 C PHE A 124 22.843 -12.264 6.444 1.00 19.55 C ATOM 1148 O PHE A 124 22.985 -12.436 7.648 1.00 17.66 O ATOM 1149 CB PHE A 124 21.380 -10.406 5.573 1.00 20.19 C ATOM 1150 CG PHE A 124 21.844 -9.499 6.687 1.00 20.89 C ATOM 1151 CD1 PHE A 124 20.962 -9.092 7.686 1.00 23.09 C ATOM 1152 CD2 PHE A 124 23.174 -9.030 6.754 1.00 22.31 C ATOM 1153 CE1 PHE A 124 21.383 -8.250 8.729 1.00 21.58 C ATOM 1154 CE2 PHE A 124 23.580 -8.170 7.788 1.00 23.52 C ATOM 1155 CZ PHE A 124 22.690 -7.794 8.775 1.00 23.60 C ATOM 1156 H PHE A 124 20.614 -12.446 7.770 1.00 0.00 H ATOM 1157 N LYS A 125 23.839 -12.272 5.575 1.00 18.18 N ATOM 1158 CA LYS A 125 25.208 -12.474 5.974 1.00 20.25 C ATOM 1159 C LYS A 125 25.989 -11.426 5.227 1.00 18.91 C ATOM 1160 O LYS A 125 25.782 -11.181 4.008 1.00 19.37 O ATOM 1161 CB LYS A 125 25.698 -13.849 5.567 1.00 25.65 C ATOM 1162 CG LYS A 125 24.843 -14.971 6.118 1.00 28.56 C ATOM 1163 CD LYS A 125 25.310 -16.347 5.642 1.00 34.27 C ATOM 1164 CE LYS A 125 24.248 -17.372 6.042 1.00 41.14 C ATOM 1165 NZ LYS A 125 24.649 -18.782 5.801 1.00 43.57 N ATOM 1166 HZ1 LYS A 125 24.842 -18.918 4.788 1.00 0.00 H ATOM 1167 HZ2 LYS A 125 25.506 -18.996 6.350 1.00 0.00 H ATOM 1168 HZ3 LYS A 125 23.879 -19.415 6.097 1.00 0.00 H ATOM 1169 H LYS A 125 23.626 -12.127 4.567 1.00 0.00 H ATOM 1170 N ILE A 126 26.929 -10.832 5.946 1.00 20.80 N ATOM 1171 CA ILE A 126 27.739 -9.732 5.384 1.00 18.52 C ATOM 1172 C ILE A 126 29.182 -9.899 5.904 1.00 20.49 C ATOM 1173 O ILE A 126 29.402 -10.371 7.020 1.00 20.70 O ATOM 1174 CB ILE A 126 27.159 -8.347 5.711 1.00 21.62 C ATOM 1175 CG1 ILE A 126 27.854 -7.235 4.899 1.00 21.75 C ATOM 1176 CG2 ILE A 126 27.346 -7.977 7.175 1.00 19.98 C ATOM 1177 CD1 ILE A 126 27.063 -5.911 4.799 1.00 23.02 C ATOM 1178 H ILE A 126 27.100 -11.145 6.923 1.00 0.00 H ATOM 1179 N SER A 127 30.144 -9.462 5.095 1.00 20.21 N ATOM 1180 CA SER A 127 31.495 -9.343 5.552 1.00 19.52 C ATOM 1181 C SER A 127 32.032 -7.983 5.127 1.00 20.02 C ATOM 1182 O SER A 127 32.165 -7.720 3.913 1.00 22.23 O ATOM 1183 CB SER A 127 32.325 -10.422 4.885 1.00 22.37 C ATOM 1184 OG SER A 127 33.708 -10.268 5.180 1.00 21.58 O ATOM 1185 HG SER A 127 34.222 -10.986 4.731 1.00 0.00 H ATOM 1186 H SER A 127 29.910 -9.203 4.115 1.00 0.00 H ATOM 1187 N CYS A 128 32.267 -7.129 6.097 1.00 21.68 N ATOM 1188 CA CYS A 128 32.638 -5.727 5.899 1.00 21.29 C ATOM 1189 C CYS A 128 34.138 -5.666 5.878 1.00 22.76 C ATOM 1190 O CYS A 128 34.806 -6.252 6.731 1.00 25.87 O ATOM 1191 CB CYS A 128 32.089 -4.871 7.018 1.00 23.99 C ATOM 1192 SG CYS A 128 32.911 -3.241 7.164 1.00 29.90 S ATOM 1193 H CYS A 128 32.184 -7.473 7.075 1.00 0.00 H ATOM 1194 N LYS A 129 34.665 -4.986 4.867 1.00 19.50 N ATOM 1195 CA LYS A 129 36.094 -4.971 4.637 1.00 21.85 C ATOM 1196 C LYS A 129 36.943 -4.295 5.722 1.00 25.32 C ATOM 1197 O LYS A 129 38.135 -4.666 5.940 1.00 26.82 O ATOM 1198 CB LYS A 129 36.351 -4.347 3.284 1.00 23.74 C ATOM 1199 CG LYS A 129 35.906 -5.274 2.168 1.00 22.44 C ATOM 1200 CD LYS A 129 36.101 -4.666 0.805 1.00 25.58 C ATOM 1201 CE LYS A 129 35.717 -5.630 -0.321 1.00 27.26 C ATOM 1202 NZ LYS A 129 36.633 -6.800 -0.500 1.00 28.49 N ATOM 1203 HZ1 LYS A 129 37.591 -6.459 -0.716 1.00 0.00 H ATOM 1204 HZ2 LYS A 129 36.653 -7.360 0.376 1.00 0.00 H ATOM 1205 HZ3 LYS A 129 36.289 -7.391 -1.284 1.00 0.00 H ATOM 1206 H LYS A 129 34.040 -4.454 4.228 1.00 0.00 H ATOM 1207 N GLY A 130 36.374 -3.309 6.383 1.00 24.50 N ATOM 1208 CA GLY A 130 37.070 -2.717 7.544 1.00 27.17 C ATOM 1209 C GLY A 130 38.147 -1.662 7.309 1.00 30.06 C ATOM 1210 O GLY A 130 38.783 -1.204 8.256 1.00 29.39 O ATOM 1211 H GLY A 130 35.443 -2.950 6.091 1.00 0.00 H ATOM 1212 N HIS A 131 38.377 -1.278 6.059 1.00 28.13 N ATOM 1213 CA HIS A 131 39.244 -0.135 5.805 1.00 27.64 C ATOM 1214 C HIS A 131 38.537 1.137 6.230 1.00 25.17 C ATOM 1215 O HIS A 131 37.348 1.119 6.530 1.00 24.08 O ATOM 1216 CB HIS A 131 39.718 -0.090 4.362 1.00 27.76 C ATOM 1217 CG HIS A 131 38.631 0.059 3.375 1.00 26.79 C ATOM 1218 ND1 HIS A 131 38.035 1.237 3.122 1.00 24.34 N ATOM 1219 CD2 HIS A 131 38.007 -0.884 2.577 1.00 26.45 C ATOM 1220 CE1 HIS A 131 37.090 1.056 2.191 1.00 27.57 C ATOM 1221 NE2 HIS A 131 37.088 -0.235 1.841 1.00 26.31 N ATOM 1222 H HIS A 131 37.941 -1.790 5.266 1.00 0.00 H ATOM 1223 N PRO A 132 39.274 2.263 6.298 1.00 23.88 N ATOM 1224 CA PRO A 132 38.725 3.512 6.780 1.00 26.01 C ATOM 1225 C PRO A 132 37.447 4.069 6.107 1.00 24.88 C ATOM 1226 O PRO A 132 36.762 4.874 6.729 1.00 27.47 O ATOM 1227 CB PRO A 132 39.873 4.508 6.604 1.00 26.68 C ATOM 1228 CG PRO A 132 41.108 3.669 6.693 1.00 25.81 C ATOM 1229 CD PRO A 132 40.753 2.291 6.208 1.00 24.60 C ATOM 1230 N LEU A 133 37.159 3.691 4.859 1.00 23.34 N ATOM 1231 CA LEU A 133 35.967 4.150 4.169 1.00 24.21 C ATOM 1232 C LEU A 133 34.961 3.023 3.913 1.00 25.08 C ATOM 1233 O LEU A 133 34.054 3.139 3.079 1.00 27.05 O ATOM 1234 CB LEU A 133 36.376 4.836 2.825 1.00 25.15 C ATOM 1235 CG LEU A 133 37.279 6.096 2.923 1.00 32.05 C ATOM 1236 CD1 LEU A 133 37.784 6.539 1.570 1.00 31.53 C ATOM 1237 CD2 LEU A 133 36.582 7.270 3.606 1.00 32.21 C ATOM 1238 H LEU A 133 37.810 3.047 4.365 1.00 0.00 H ATOM 1239 N SER A 134 35.113 1.924 4.658 1.00 26.37 N ATOM 1240 CA SER A 134 34.298 0.744 4.453 1.00 24.62 C ATOM 1241 C SER A 134 32.913 0.868 5.100 1.00 23.15 C ATOM 1242 O SER A 134 32.021 0.113 4.784 1.00 22.20 O ATOM 1243 CB SER A 134 35.022 -0.518 4.927 1.00 24.14 C ATOM 1244 OG SER A 134 35.156 -0.513 6.351 1.00 24.95 O ATOM 1245 HG SER A 134 35.677 0.281 6.629 1.00 0.00 H ATOM 1246 H SER A 134 35.836 1.916 5.405 1.00 0.00 H ATOM 1247 N GLU A 135 32.769 1.799 6.036 1.00 24.21 N ATOM 1248 CA GLU A 135 31.486 1.943 6.753 1.00 24.90 C ATOM 1249 C GLU A 135 31.198 3.411 6.817 1.00 25.29 C ATOM 1250 O GLU A 135 31.956 4.166 7.455 1.00 25.91 O ATOM 1251 CB GLU A 135 31.584 1.379 8.152 1.00 30.01 C ATOM 1252 CG GLU A 135 32.065 -0.054 8.188 1.00 33.90 C ATOM 1253 CD GLU A 135 32.674 -0.439 9.509 1.00 39.47 C ATOM 1254 OE1 GLU A 135 33.909 -0.231 9.664 1.00 42.28 O ATOM 1255 OE2 GLU A 135 31.917 -0.962 10.364 1.00 34.33 O ATOM 1256 H GLU A 135 33.564 2.430 6.265 1.00 0.00 H ATOM 1257 N LEU A 136 30.136 3.821 6.144 1.00 24.58 N ATOM 1258 CA LEU A 136 29.795 5.245 6.029 1.00 23.86 C ATOM 1259 C LEU A 136 28.317 5.537 6.269 1.00 24.03 C ATOM 1260 O LEU A 136 27.429 4.823 5.822 1.00 23.67 O ATOM 1261 CB LEU A 136 30.213 5.764 4.651 1.00 24.01 C ATOM 1262 CG LEU A 136 31.755 5.693 4.366 1.00 28.37 C ATOM 1263 CD1 LEU A 136 32.045 5.979 2.899 1.00 27.57 C ATOM 1264 CD2 LEU A 136 32.551 6.610 5.272 1.00 29.34 C ATOM 1265 H LEU A 136 29.526 3.116 5.684 1.00 0.00 H ATOM 1266 N SER A 137 28.068 6.603 7.000 1.00 23.71 N ATOM 1267 CA SER A 137 26.744 6.973 7.358 1.00 25.25 C ATOM 1268 C SER A 137 26.379 8.225 6.566 1.00 25.80 C ATOM 1269 O SER A 137 27.202 9.141 6.453 1.00 26.72 O ATOM 1270 CB SER A 137 26.726 7.262 8.870 1.00 28.82 C ATOM 1271 OG SER A 137 25.504 7.812 9.251 1.00 33.06 O ATOM 1272 HG SER A 137 25.513 7.990 10.225 1.00 0.00 H ATOM 1273 H SER A 137 28.862 7.191 7.324 1.00 0.00 H ATOM 1274 N ARG A 138 25.161 8.268 6.005 1.00 26.15 N ATOM 1275 CA ARG A 138 24.718 9.396 5.241 1.00 26.75 C ATOM 1276 C ARG A 138 23.265 9.722 5.576 1.00 27.47 C ATOM 1277 O ARG A 138 22.410 8.820 5.627 1.00 27.72 O ATOM 1278 CB ARG A 138 24.861 9.136 3.719 1.00 25.60 C ATOM 1279 CG ARG A 138 26.256 8.981 3.144 1.00 24.60 C ATOM 1280 CD ARG A 138 27.050 10.276 3.238 1.00 28.52 C ATOM 1281 NE ARG A 138 28.455 10.159 2.796 1.00 35.49 N ATOM 1282 CZ ARG A 138 29.518 9.949 3.583 1.00 31.38 C ATOM 1283 NH1 ARG A 138 29.403 9.766 4.908 1.00 32.40 N ATOM 1284 NH2 ARG A 138 30.717 9.871 3.030 1.00 32.66 N ATOM 1285 HE ARG A 138 28.636 10.248 1.776 1.00 0.00 H ATOM 1286 HH12 ARG A 138 30.252 9.606 5.486 1.00 0.00 H ATOM 1287 HH11 ARG A 138 28.465 9.785 5.356 1.00 0.00 H ATOM 1288 HH22 ARG A 138 31.554 9.708 3.625 1.00 0.00 H ATOM 1289 HH21 ARG A 138 30.822 9.972 2.000 1.00 0.00 H ATOM 1290 H ARG A 138 24.520 7.459 6.128 1.00 0.00 H ATOM 1291 N LYS A 139 22.994 11.009 5.790 1.00 28.65 N ATOM 1292 CA LYS A 139 21.628 11.519 6.026 1.00 29.41 C ATOM 1293 C LYS A 139 21.234 12.353 4.805 1.00 29.36 C ATOM 1294 O LYS A 139 21.952 13.283 4.441 1.00 30.30 O ATOM 1295 CB LYS A 139 21.549 12.327 7.334 1.00 29.49 C ATOM 1296 CG LYS A 139 20.294 13.177 7.581 1.00 29.86 C ATOM 1297 CD LYS A 139 19.012 12.380 7.540 1.00 33.62 C ATOM 1298 CE LYS A 139 17.795 13.204 7.964 1.00 31.90 C ATOM 1299 NZ LYS A 139 17.309 12.684 9.260 1.00 33.93 N ATOM 1300 HZ1 LYS A 139 17.043 11.684 9.153 1.00 0.00 H ATOM 1301 HZ2 LYS A 139 18.063 12.770 9.971 1.00 0.00 H ATOM 1302 HZ3 LYS A 139 16.480 13.234 9.564 1.00 0.00 H ATOM 1303 H LYS A 139 23.782 11.687 5.791 1.00 0.00 H ATOM 1304 N ILE A 140 20.131 12.004 4.158 1.00 27.31 N ATOM 1305 CA ILE A 140 19.758 12.651 2.910 1.00 28.47 C ATOM 1306 C ILE A 140 18.532 13.483 3.200 1.00 31.78 C ATOM 1307 O ILE A 140 17.517 12.959 3.678 1.00 29.41 O ATOM 1308 CB ILE A 140 19.410 11.649 1.773 1.00 30.43 C ATOM 1309 CG1 ILE A 140 20.566 10.683 1.442 1.00 27.86 C ATOM 1310 CG2 ILE A 140 18.961 12.382 0.525 1.00 27.80 C ATOM 1311 CD1 ILE A 140 21.919 11.312 1.127 1.00 33.04 C ATOM 1312 H ILE A 140 19.523 11.256 4.549 1.00 0.00 H ATOM 1313 N VAL A 141 18.620 14.775 2.884 1.00 32.03 N ATOM 1314 CA VAL A 141 17.500 15.667 3.045 1.00 33.69 C ATOM 1315 C VAL A 141 17.325 16.230 1.654 1.00 36.15 C ATOM 1316 O VAL A 141 18.251 16.815 1.110 1.00 33.63 O ATOM 1317 CB VAL A 141 17.780 16.728 4.125 1.00 35.40 C ATOM 1318 CG1 VAL A 141 16.583 17.655 4.318 1.00 31.99 C ATOM 1319 CG2 VAL A 141 18.088 16.032 5.460 1.00 34.51 C ATOM 1320 H VAL A 141 19.517 15.148 2.513 1.00 0.00 H ATOM 1321 N ALA A 142 16.186 15.981 1.018 1.00 35.48 N ATOM 1322 CA ALA A 142 15.999 16.571 -0.313 1.00 37.24 C ATOM 1323 C ALA A 142 15.644 18.043 -0.108 1.00 37.33 C ATOM 1324 O ALA A 142 15.202 18.440 0.973 1.00 38.87 O ATOM 1325 CB ALA A 142 14.929 15.828 -1.102 1.00 43.11 C ATOM 1326 H ALA A 142 15.450 15.387 1.449 1.00 0.00 H TER 1327 ALA A 142 ATOM 1328 N MET D 5 21.202 7.317 24.219 1.00 31.40 N ATOM 1329 CA MET D 5 21.853 6.117 23.580 1.00 24.02 C ATOM 1330 C MET D 5 20.882 5.481 22.575 1.00 24.83 C ATOM 1331 O MET D 5 19.680 5.459 22.801 1.00 24.46 O ATOM 1332 CB MET D 5 22.286 5.149 24.682 1.00 24.24 C ATOM 1333 CG MET D 5 23.069 3.965 24.166 1.00 27.29 C ATOM 1334 SD MET D 5 23.257 2.749 25.462 1.00 26.86 S ATOM 1335 CE MET D 5 24.912 3.159 25.843 1.00 27.12 C ATOM 1336 HN3 MET D 5 20.337 7.018 24.714 1.00 0.00 H ATOM 1337 HN2 MET D 5 20.960 8.011 23.483 1.00 0.00 H ATOM 1338 HN1 MET D 5 21.861 7.746 24.899 1.00 0.00 H ATOM 1339 N LYS D 6 21.434 5.028 21.439 1.00 20.61 N ATOM 1340 CA LYS D 6 20.733 4.339 20.405 1.00 21.12 C ATOM 1341 C LYS D 6 21.364 2.965 20.271 1.00 21.00 C ATOM 1342 O LYS D 6 22.579 2.851 20.269 1.00 22.16 O ATOM 1343 CB LYS D 6 20.860 5.102 19.080 1.00 24.20 C ATOM 1344 CG LYS D 6 19.868 6.251 18.957 1.00 29.56 C ATOM 1345 CD LYS D 6 19.995 6.942 17.605 1.00 30.66 C ATOM 1346 CE LYS D 6 18.808 6.732 16.701 1.00 31.74 C ATOM 1347 NZ LYS D 6 19.120 7.044 15.265 1.00 34.36 N ATOM 1348 HZ1 LYS D 6 19.415 8.038 15.184 1.00 0.00 H ATOM 1349 HZ2 LYS D 6 19.889 6.425 14.936 1.00 0.00 H ATOM 1350 HZ3 LYS D 6 18.272 6.884 14.685 1.00 0.00 H ATOM 1351 H LYS D 6 22.452 5.192 21.302 1.00 0.00 H ATOM 1352 N MET D 7 20.532 1.937 20.188 1.00 19.14 N ATOM 1353 CA MET D 7 21.044 0.592 20.109 1.00 19.60 C ATOM 1354 C MET D 7 20.408 -0.193 18.972 1.00 19.68 C ATOM 1355 O MET D 7 19.197 -0.060 18.711 1.00 21.21 O ATOM 1356 CB MET D 7 20.745 -0.097 21.423 1.00 23.62 C ATOM 1357 CG MET D 7 21.591 -1.296 21.648 1.00 26.40 C ATOM 1358 SD MET D 7 21.442 -1.954 23.314 1.00 37.60 S ATOM 1359 CE MET D 7 21.298 -0.513 24.280 1.00 28.07 C ATOM 1360 H MET D 7 19.505 2.101 20.180 1.00 0.00 H ATOM 1361 N LEU D 8 21.190 -1.008 18.276 1.00 19.50 N ATOM 1362 CA LEU D 8 20.551 -1.862 17.297 1.00 18.29 C ATOM 1363 C LEU D 8 20.931 -3.289 17.699 1.00 19.27 C ATOM 1364 O LEU D 8 22.113 -3.609 17.764 1.00 19.15 O ATOM 1365 CB LEU D 8 21.007 -1.493 15.870 1.00 20.40 C ATOM 1366 CG LEU D 8 20.667 -2.492 14.794 1.00 22.80 C ATOM 1367 CD1 LEU D 8 19.145 -2.654 14.563 1.00 25.56 C ATOM 1368 CD2 LEU D 8 21.331 -2.032 13.512 1.00 25.67 C ATOM 1369 H LEU D 8 22.219 -1.032 18.427 1.00 0.00 H ATOM 1370 N LEU D 9 19.952 -4.088 18.085 1.00 19.05 N ATOM 1371 CA LEU D 9 20.215 -5.420 18.570 1.00 22.15 C ATOM 1372 C LEU D 9 19.956 -6.440 17.477 1.00 21.73 C ATOM 1373 O LEU D 9 18.828 -6.495 16.901 1.00 21.15 O ATOM 1374 CB LEU D 9 19.316 -5.736 19.778 1.00 21.02 C ATOM 1375 CG LEU D 9 19.273 -4.695 20.909 1.00 24.65 C ATOM 1376 CD1 LEU D 9 18.330 -5.156 22.005 1.00 28.21 C ATOM 1377 CD2 LEU D 9 20.672 -4.393 21.451 1.00 23.74 C ATOM 1378 H LEU D 9 18.970 -3.749 18.038 1.00 0.00 H ATOM 1379 N ILE D 10 20.969 -7.263 17.171 1.00 18.07 N ATOM 1380 CA ILE D 10 20.827 -8.229 16.080 1.00 17.14 C ATOM 1381 C ILE D 10 21.086 -9.656 16.551 1.00 17.08 C ATOM 1382 O ILE D 10 22.170 -9.966 17.055 1.00 16.88 O ATOM 1383 CB ILE D 10 21.792 -7.911 14.899 1.00 17.69 C ATOM 1384 CG1 ILE D 10 21.590 -6.447 14.421 1.00 19.00 C ATOM 1385 CG2 ILE D 10 21.677 -8.956 13.762 1.00 17.55 C ATOM 1386 CD1 ILE D 10 22.063 -6.110 13.009 1.00 22.17 C ATOM 1387 H ILE D 10 21.857 -7.215 17.710 1.00 0.00 H ATOM 1388 N HIS D 11 20.098 -10.523 16.386 1.00 14.88 N ATOM 1389 CA HIS D 11 20.219 -11.940 16.791 1.00 15.52 C ATOM 1390 C HIS D 11 20.954 -12.714 15.747 1.00 16.26 C ATOM 1391 O HIS D 11 20.470 -12.790 14.598 1.00 18.16 O ATOM 1392 CB HIS D 11 18.826 -12.550 17.009 1.00 16.88 C ATOM 1393 CG HIS D 11 18.870 -13.934 17.578 1.00 17.45 C ATOM 1394 ND1 HIS D 11 17.853 -14.818 17.422 1.00 19.17 N ATOM 1395 CD2 HIS D 11 19.859 -14.590 18.276 1.00 18.22 C ATOM 1396 CE1 HIS D 11 18.169 -15.976 18.036 1.00 20.38 C ATOM 1397 NE2 HIS D 11 19.420 -15.848 18.540 1.00 19.06 N ATOM 1398 H HIS D 11 19.208 -10.196 15.958 1.00 0.00 H ATOM 1399 N SER D 12 22.135 -13.177 16.123 1.00 16.39 N ATOM 1400 CA SER D 12 23.113 -13.678 15.115 1.00 17.24 C ATOM 1401 C SER D 12 23.576 -15.129 15.291 1.00 17.53 C ATOM 1402 O SER D 12 23.809 -15.581 16.382 1.00 16.35 O ATOM 1403 CB SER D 12 24.361 -12.802 15.082 1.00 17.51 C ATOM 1404 OG SER D 12 24.039 -11.444 14.807 1.00 26.33 O ATOM 1405 HG SER D 12 23.433 -11.101 15.511 1.00 0.00 H ATOM 1406 H SER D 12 22.384 -13.192 17.133 1.00 0.00 H ATOM 1407 N ASP D 13 23.765 -15.844 14.194 1.00 16.24 N ATOM 1408 CA ASP D 13 24.499 -17.133 14.229 1.00 18.88 C ATOM 1409 C ASP D 13 25.908 -16.905 14.694 1.00 18.62 C ATOM 1410 O ASP D 13 26.456 -17.706 15.466 1.00 20.12 O ATOM 1411 CB ASP D 13 24.526 -17.780 12.834 1.00 19.08 C ATOM 1412 CG ASP D 13 23.148 -17.916 12.239 1.00 22.44 C ATOM 1413 OD1 ASP D 13 22.395 -18.842 12.667 1.00 23.56 O ATOM 1414 OD2 ASP D 13 22.843 -17.127 11.313 1.00 20.49 O ATOM 1415 H ASP D 13 23.391 -15.495 13.288 1.00 0.00 H ATOM 1416 N TYR D 14 26.485 -15.770 14.292 1.00 17.29 N ATOM 1417 CA TYR D 14 27.801 -15.356 14.777 1.00 18.43 C ATOM 1418 C TYR D 14 28.071 -13.887 14.488 1.00 17.15 C ATOM 1419 O TYR D 14 27.496 -13.302 13.558 1.00 18.01 O ATOM 1420 CB TYR D 14 28.902 -16.168 14.104 1.00 19.27 C ATOM 1421 CG TYR D 14 28.896 -16.104 12.589 1.00 19.16 C ATOM 1422 CD1 TYR D 14 29.418 -14.974 11.915 1.00 21.28 C ATOM 1423 CD2 TYR D 14 28.276 -17.104 11.829 1.00 20.62 C ATOM 1424 CE1 TYR D 14 29.365 -14.899 10.519 1.00 23.28 C ATOM 1425 CE2 TYR D 14 28.248 -17.048 10.458 1.00 22.59 C ATOM 1426 CZ TYR D 14 28.812 -15.959 9.811 1.00 23.21 C ATOM 1427 OH TYR D 14 28.764 -15.885 8.430 1.00 27.42 O ATOM 1428 HH TYR D 14 29.208 -15.053 8.130 1.00 0.00 H ATOM 1429 H TYR D 14 25.983 -15.162 13.613 1.00 0.00 H ATOM 1430 N LEU D 15 29.040 -13.343 15.219 1.00 17.33 N ATOM 1431 CA LEU D 15 29.576 -12.005 14.959 1.00 18.81 C ATOM 1432 C LEU D 15 31.112 -12.229 15.035 1.00 19.18 C ATOM 1433 O LEU D 15 31.587 -12.894 15.999 1.00 19.44 O ATOM 1434 CB LEU D 15 29.133 -10.991 15.986 1.00 20.33 C ATOM 1435 CG LEU D 15 29.709 -9.576 15.773 1.00 24.10 C ATOM 1436 CD1 LEU D 15 28.771 -8.526 16.302 1.00 26.69 C ATOM 1437 CD2 LEU D 15 31.134 -9.391 16.336 1.00 22.25 C ATOM 1438 H LEU D 15 29.434 -13.892 16.010 1.00 0.00 H ATOM 1439 N GLU D 16 31.870 -11.808 14.007 1.00 18.21 N ATOM 1440 CA GLU D 16 33.352 -11.888 14.107 1.00 21.59 C ATOM 1441 C GLU D 16 33.930 -10.528 13.813 1.00 19.96 C ATOM 1442 O GLU D 16 33.403 -9.837 12.993 1.00 19.52 O ATOM 1443 CB GLU D 16 33.989 -12.783 13.003 1.00 26.70 C ATOM 1444 CG GLU D 16 33.500 -14.186 12.937 1.00 31.71 C ATOM 1445 CD GLU D 16 34.141 -14.991 11.813 1.00 36.54 C ATOM 1446 OE1 GLU D 16 35.240 -14.622 11.318 1.00 36.33 O ATOM 1447 OE2 GLU D 16 33.521 -15.993 11.413 1.00 43.79 O ATOM 1448 H GLU D 16 31.423 -11.429 13.148 1.00 0.00 H ATOM 1449 N PHE D 17 35.041 -10.144 14.441 1.00 19.04 N ATOM 1450 CA PHE D 17 35.713 -8.928 13.985 1.00 17.92 C ATOM 1451 C PHE D 17 37.232 -9.105 14.031 1.00 19.33 C ATOM 1452 O PHE D 17 37.789 -9.965 14.727 1.00 18.72 O ATOM 1453 CB PHE D 17 35.325 -7.691 14.843 1.00 18.48 C ATOM 1454 CG PHE D 17 35.767 -7.777 16.263 1.00 19.80 C ATOM 1455 CD1 PHE D 17 37.065 -7.406 16.646 1.00 19.31 C ATOM 1456 CD2 PHE D 17 34.891 -8.262 17.257 1.00 22.35 C ATOM 1457 CE1 PHE D 17 37.462 -7.514 17.970 1.00 22.73 C ATOM 1458 CE2 PHE D 17 35.288 -8.370 18.585 1.00 22.67 C ATOM 1459 CZ PHE D 17 36.581 -7.990 18.932 1.00 21.97 C ATOM 1460 H PHE D 17 35.421 -10.696 15.236 1.00 0.00 H ATOM 1461 N GLU D 18 37.874 -8.233 13.293 1.00 18.66 N ATOM 1462 CA GLU D 18 39.328 -8.066 13.361 1.00 22.30 C ATOM 1463 C GLU D 18 39.663 -6.563 13.261 1.00 21.15 C ATOM 1464 O GLU D 18 39.381 -5.924 12.252 1.00 19.75 O ATOM 1465 CB GLU D 18 39.945 -8.844 12.218 1.00 28.21 C ATOM 1466 CG GLU D 18 41.446 -8.825 12.214 1.00 30.90 C ATOM 1467 CD GLU D 18 41.973 -9.653 11.064 1.00 40.64 C ATOM 1468 OE1 GLU D 18 41.216 -10.505 10.539 1.00 44.42 O ATOM 1469 OE2 GLU D 18 43.143 -9.458 10.677 1.00 43.19 O ATOM 1470 H GLU D 18 37.332 -7.638 12.635 1.00 0.00 H ATOM 1471 N ALA D 19 40.355 -6.036 14.282 1.00 20.75 N ATOM 1472 CA ALA D 19 40.856 -4.657 14.236 1.00 23.41 C ATOM 1473 C ALA D 19 41.961 -4.537 13.173 1.00 27.10 C ATOM 1474 O ALA D 19 42.837 -5.428 13.053 1.00 28.74 O ATOM 1475 CB ALA D 19 41.426 -4.298 15.604 1.00 23.50 C ATOM 1476 H ALA D 19 40.541 -6.617 15.124 1.00 0.00 H ATOM 1477 N LYS D 20 41.923 -3.445 12.409 1.00 28.23 N ATOM 1478 CA LYS D 20 42.789 -3.297 11.229 1.00 31.59 C ATOM 1479 C LYS D 20 43.677 -2.084 11.384 1.00 34.92 C ATOM 1480 O LYS D 20 44.903 -2.153 11.180 1.00 40.36 O ATOM 1481 CB LYS D 20 41.963 -3.153 9.947 1.00 33.93 C ATOM 1482 CG LYS D 20 41.136 -4.384 9.542 1.00 36.08 C ATOM 1483 CD LYS D 20 42.023 -5.590 9.318 1.00 37.85 C ATOM 1484 CE LYS D 20 41.510 -6.471 8.195 1.00 40.52 C ATOM 1485 NZ LYS D 20 42.437 -7.628 8.030 1.00 45.29 N ATOM 1486 HZ1 LYS D 20 43.388 -7.278 7.798 1.00 0.00 H ATOM 1487 HZ2 LYS D 20 42.473 -8.171 8.916 1.00 0.00 H ATOM 1488 HZ3 LYS D 20 42.094 -8.239 7.261 1.00 0.00 H ATOM 1489 H LYS D 20 41.264 -2.678 12.653 1.00 0.00 H ATOM 1490 N GLU D 21 43.053 -0.971 11.742 1.00 31.61 N ATOM 1491 CA GLU D 21 43.728 0.300 11.752 1.00 32.32 C ATOM 1492 C GLU D 21 43.218 1.079 12.948 1.00 31.75 C ATOM 1493 O GLU D 21 42.059 0.987 13.301 1.00 27.16 O ATOM 1494 CB GLU D 21 43.454 1.041 10.465 1.00 36.31 C ATOM 1495 CG GLU D 21 44.243 2.327 10.306 1.00 39.02 C ATOM 1496 CD GLU D 21 44.212 2.809 8.869 1.00 42.36 C ATOM 1497 OE1 GLU D 21 43.906 1.968 7.983 1.00 48.94 O ATOM 1498 OE2 GLU D 21 44.490 4.007 8.625 1.00 42.64 O ATOM 1499 H GLU D 21 42.053 -1.017 12.022 1.00 0.00 H ATOM 1500 N LYS D 22 44.131 1.809 13.566 1.00 33.21 N ATOM 1501 CA LYS D 22 43.867 2.574 14.759 1.00 32.09 C ATOM 1502 C LYS D 22 43.361 3.942 14.295 1.00 34.80 C ATOM 1503 O LYS D 22 43.986 4.541 13.425 1.00 34.41 O ATOM 1504 CB LYS D 22 45.207 2.731 15.489 1.00 36.90 C ATOM 1505 CG LYS D 22 45.126 2.930 16.971 1.00 38.27 C ATOM 1506 CD LYS D 22 46.507 3.056 17.608 1.00 40.75 C ATOM 1507 CE LYS D 22 46.953 1.808 18.342 1.00 43.96 C ATOM 1508 NZ LYS D 22 46.901 1.993 19.829 1.00 50.41 N ATOM 1509 HZ1 LYS D 22 47.528 2.776 20.102 1.00 0.00 H ATOM 1510 HZ2 LYS D 22 45.926 2.212 20.116 1.00 0.00 H ATOM 1511 HZ3 LYS D 22 47.213 1.118 20.297 1.00 0.00 H ATOM 1512 H LYS D 22 45.092 1.833 13.170 1.00 0.00 H ATOM 1513 N THR D 23 42.219 4.420 14.827 1.00 34.54 N ATOM 1514 CA THR D 23 41.853 5.843 14.704 1.00 34.24 C ATOM 1515 C THR D 23 42.663 6.677 15.712 1.00 34.99 C ATOM 1516 O THR D 23 43.370 6.148 16.598 1.00 34.56 O ATOM 1517 CB THR D 23 40.328 6.144 14.978 1.00 37.11 C ATOM 1518 OG1 THR D 23 40.035 6.080 16.390 1.00 29.51 O ATOM 1519 CG2 THR D 23 39.378 5.234 14.208 1.00 36.05 C ATOM 1520 HG1 THR D 23 40.247 5.174 16.729 1.00 0.00 H ATOM 1521 H THR D 23 41.583 3.772 15.335 1.00 0.00 H ATOM 1522 N LYS D 24 42.511 7.996 15.644 1.00 37.44 N ATOM 1523 CA LYS D 24 43.187 8.867 16.615 1.00 40.38 C ATOM 1524 C LYS D 24 42.646 8.763 18.074 1.00 39.69 C ATOM 1525 O LYS D 24 43.274 9.232 19.015 1.00 40.64 O ATOM 1526 CB LYS D 24 43.239 10.321 16.074 1.00 42.02 C ATOM 1527 CG LYS D 24 43.625 10.378 14.580 1.00 44.23 C ATOM 1528 CD LYS D 24 43.756 11.784 14.009 1.00 46.71 C ATOM 1529 CE LYS D 24 44.959 12.518 14.605 1.00 48.42 C ATOM 1530 NZ LYS D 24 44.939 13.982 14.290 1.00 47.58 N ATOM 1531 HZ1 LYS D 24 44.957 14.114 13.259 1.00 0.00 H ATOM 1532 HZ2 LYS D 24 44.074 14.407 14.680 1.00 0.00 H ATOM 1533 HZ3 LYS D 24 45.772 14.438 14.714 1.00 0.00 H ATOM 1534 H LYS D 24 41.913 8.412 14.902 1.00 0.00 H ATOM 1535 N ILE D 25 41.510 8.090 18.262 1.00 37.28 N ATOM 1536 CA ILE D 25 40.907 7.886 19.594 1.00 35.64 C ATOM 1537 C ILE D 25 40.757 6.382 19.960 1.00 34.50 C ATOM 1538 O ILE D 25 39.821 5.973 20.657 1.00 37.30 O ATOM 1539 CB ILE D 25 39.531 8.611 19.705 1.00 39.91 C ATOM 1540 CG1 ILE D 25 38.608 8.182 18.538 1.00 39.12 C ATOM 1541 CG2 ILE D 25 39.742 10.124 19.769 1.00 39.16 C ATOM 1542 CD1 ILE D 25 37.119 8.148 18.854 1.00 42.51 C ATOM 1543 H ILE D 25 41.027 7.691 17.432 1.00 0.00 H ATOM 1544 N ALA D 26 41.700 5.559 19.522 1.00 32.05 N ATOM 1545 CA ALA D 26 41.604 4.117 19.757 1.00 27.78 C ATOM 1546 C ALA D 26 41.843 3.759 21.202 1.00 29.00 C ATOM 1547 O ALA D 26 42.693 4.335 21.860 1.00 27.48 O ATOM 1548 CB ALA D 26 42.563 3.358 18.845 1.00 30.34 C ATOM 1549 H ALA D 26 42.517 5.942 19.006 1.00 0.00 H ATOM 1550 N GLU D 27 41.086 2.783 21.692 1.00 29.00 N ATOM 1551 CA GLU D 27 41.222 2.244 23.040 1.00 30.51 C ATOM 1552 C GLU D 27 42.447 1.324 22.980 1.00 29.90 C ATOM 1553 O GLU D 27 42.610 0.587 22.029 1.00 28.83 O ATOM 1554 CB GLU D 27 39.940 1.447 23.277 1.00 32.56 C ATOM 1555 CG GLU D 27 39.849 0.601 24.540 1.00 36.98 C ATOM 1556 CD GLU D 27 38.523 -0.160 24.609 1.00 38.86 C ATOM 1557 OE1 GLU D 27 38.012 -0.647 23.563 1.00 35.22 O ATOM 1558 OE2 GLU D 27 37.967 -0.236 25.716 1.00 40.17 O ATOM 1559 H GLU D 27 40.352 2.379 21.076 1.00 0.00 H ATOM 1560 N GLU D 28 43.332 1.390 23.971 1.00 32.93 N ATOM 1561 CA GLU D 28 44.426 0.435 24.077 1.00 30.24 C ATOM 1562 C GLU D 28 43.862 -0.903 24.514 1.00 30.27 C ATOM 1563 O GLU D 28 43.173 -0.967 25.532 1.00 36.53 O ATOM 1564 CB GLU D 28 45.442 0.918 25.115 1.00 32.49 C ATOM 1565 CG GLU D 28 46.159 2.193 24.695 1.00 38.68 C ATOM 1566 CD GLU D 28 47.058 1.985 23.484 1.00 39.07 C ATOM 1567 OE1 GLU D 28 47.763 0.951 23.424 1.00 44.46 O ATOM 1568 OE2 GLU D 28 47.084 2.860 22.589 1.00 46.09 O ATOM 1569 H GLU D 28 43.240 2.140 24.686 1.00 0.00 H ATOM 1570 N THR D 29 44.167 -1.959 23.765 1.00 27.21 N ATOM 1571 CA THR D 29 43.729 -3.307 24.135 1.00 33.85 C ATOM 1572 C THR D 29 44.544 -4.416 23.450 1.00 32.08 C ATOM 1573 O THR D 29 45.272 -4.146 22.496 1.00 36.85 O ATOM 1574 CB THR D 29 42.209 -3.491 23.860 1.00 33.03 C ATOM 1575 OG1 THR D 29 41.792 -4.789 24.263 1.00 38.12 O ATOM 1576 CG2 THR D 29 41.868 -3.350 22.421 1.00 33.50 C ATOM 1577 HG1 THR D 29 40.824 -4.894 24.083 1.00 0.00 H ATOM 1578 H THR D 29 44.728 -1.825 22.899 1.00 0.00 H ATOM 1579 N GLU D 30 44.415 -5.652 23.938 1.00 34.70 N ATOM 1580 CA GLU D 30 44.884 -6.860 23.202 1.00 37.27 C ATOM 1581 C GLU D 30 43.770 -7.662 22.549 1.00 34.85 C ATOM 1582 O GLU D 30 44.026 -8.635 21.818 1.00 35.90 O ATOM 1583 CB GLU D 30 45.598 -7.792 24.143 1.00 45.86 C ATOM 1584 CG GLU D 30 47.016 -7.360 24.420 1.00 52.81 C ATOM 1585 CD GLU D 30 47.519 -8.021 25.663 1.00 59.39 C ATOM 1586 OE1 GLU D 30 48.311 -7.376 26.379 1.00 65.86 O ATOM 1587 OE2 GLU D 30 47.096 -9.173 25.928 1.00 61.47 O ATOM 1588 H GLU D 30 43.969 -5.777 24.869 1.00 0.00 H ATOM 1589 N ASN D 31 42.542 -7.287 22.873 1.00 33.25 N ATOM 1590 CA ASN D 31 41.382 -7.865 22.232 1.00 30.74 C ATOM 1591 C ASN D 31 41.199 -7.342 20.786 1.00 28.77 C ATOM 1592 O ASN D 31 40.230 -6.662 20.485 1.00 28.89 O ATOM 1593 CB ASN D 31 40.136 -7.555 23.046 1.00 33.58 C ATOM 1594 CG ASN D 31 38.987 -8.452 22.665 1.00 38.13 C ATOM 1595 OD1 ASN D 31 39.205 -9.504 22.051 1.00 35.17 O ATOM 1596 ND2 ASN D 31 37.759 -8.033 22.980 1.00 37.67 N ATOM 1597 HD22 ASN D 31 37.631 -7.140 23.498 1.00 0.00 H ATOM 1598 HD21 ASN D 31 36.930 -8.600 22.708 1.00 0.00 H ATOM 1599 H ASN D 31 42.409 -6.560 23.605 1.00 0.00 H ATOM 1600 N LEU D 32 42.118 -7.697 19.901 1.00 27.17 N ATOM 1601 CA LEU D 32 42.049 -7.174 18.508 1.00 28.15 C ATOM 1602 C LEU D 32 41.306 -8.074 17.509 1.00 25.98 C ATOM 1603 O LEU D 32 41.035 -7.644 16.417 1.00 27.48 O ATOM 1604 CB LEU D 32 43.459 -6.774 17.973 1.00 31.48 C ATOM 1605 CG LEU D 32 44.233 -5.631 18.702 1.00 36.01 C ATOM 1606 CD1 LEU D 32 45.567 -5.334 18.005 1.00 36.46 C ATOM 1607 CD2 LEU D 32 43.421 -4.347 18.904 1.00 33.26 C ATOM 1608 H LEU D 32 42.887 -8.340 20.178 1.00 0.00 H ATOM 1609 N LYS D 33 40.953 -9.290 17.904 1.00 25.07 N ATOM 1610 CA LYS D 33 40.234 -10.245 17.075 1.00 23.03 C ATOM 1611 C LYS D 33 39.289 -10.964 17.977 1.00 21.70 C ATOM 1612 O LYS D 33 39.603 -11.243 19.148 1.00 22.86 O ATOM 1613 CB LYS D 33 41.153 -11.236 16.386 1.00 25.36 C ATOM 1614 CG LYS D 33 40.618 -11.796 15.105 1.00 32.54 C ATOM 1615 CD LYS D 33 41.719 -12.504 14.297 1.00 31.23 C ATOM 1616 CE LYS D 33 41.291 -12.708 12.851 1.00 38.51 C ATOM 1617 NZ LYS D 33 40.131 -13.629 12.668 1.00 42.65 N ATOM 1618 HZ1 LYS D 33 40.372 -14.567 13.046 1.00 0.00 H ATOM 1619 HZ2 LYS D 33 39.306 -13.251 13.176 1.00 0.00 H ATOM 1620 HZ3 LYS D 33 39.909 -13.709 11.655 1.00 0.00 H ATOM 1621 H LYS D 33 41.207 -9.580 18.870 1.00 0.00 H ATOM 1622 N GLY D 34 38.076 -11.204 17.505 1.00 20.98 N ATOM 1623 CA GLY D 34 37.152 -11.910 18.374 1.00 21.68 C ATOM 1624 C GLY D 34 35.971 -12.462 17.600 1.00 19.87 C ATOM 1625 O GLY D 34 35.700 -12.059 16.477 1.00 19.91 O ATOM 1626 H GLY D 34 37.796 -10.899 16.551 1.00 0.00 H ATOM 1627 N LYS D 35 35.296 -13.442 18.189 1.00 19.31 N ATOM 1628 CA LYS D 35 34.135 -14.064 17.585 1.00 18.08 C ATOM 1629 C LYS D 35 33.221 -14.560 18.696 1.00 18.80 C ATOM 1630 O LYS D 35 33.720 -15.112 19.650 1.00 19.27 O ATOM 1631 CB LYS D 35 34.518 -15.214 16.698 1.00 21.48 C ATOM 1632 CG LYS D 35 33.352 -15.922 15.987 1.00 23.67 C ATOM 1633 CD LYS D 35 33.930 -16.726 14.836 1.00 24.44 C ATOM 1634 CE LYS D 35 32.921 -17.589 14.092 1.00 28.08 C ATOM 1635 NZ LYS D 35 32.552 -18.822 14.841 1.00 29.47 N ATOM 1636 HZ1 LYS D 35 33.404 -19.396 15.002 1.00 0.00 H ATOM 1637 HZ2 LYS D 35 32.132 -18.558 15.755 1.00 0.00 H ATOM 1638 HZ3 LYS D 35 31.863 -19.370 14.287 1.00 0.00 H ATOM 1639 H LYS D 35 35.613 -13.777 19.121 1.00 0.00 H ATOM 1640 N LEU D 36 31.893 -14.450 18.513 1.00 18.94 N ATOM 1641 CA LEU D 36 30.927 -14.966 19.462 1.00 16.46 C ATOM 1642 C LEU D 36 29.799 -15.547 18.677 1.00 19.98 C ATOM 1643 O LEU D 36 29.307 -14.903 17.764 1.00 19.09 O ATOM 1644 CB LEU D 36 30.433 -13.833 20.375 1.00 17.15 C ATOM 1645 CG LEU D 36 30.139 -14.143 21.824 1.00 20.80 C ATOM 1646 CD1 LEU D 36 29.197 -13.129 22.534 1.00 17.30 C ATOM 1647 CD2 LEU D 36 30.206 -15.532 22.370 1.00 21.83 C ATOM 1648 H LEU D 36 31.545 -13.975 17.655 1.00 0.00 H ATOM 1649 N ASP D 37 29.410 -16.780 19.001 1.00 18.80 N ATOM 1650 CA ASP D 37 28.310 -17.458 18.279 1.00 20.79 C ATOM 1651 C ASP D 37 26.994 -17.277 18.998 1.00 19.64 C ATOM 1652 O ASP D 37 26.963 -16.941 20.215 1.00 19.51 O ATOM 1653 CB ASP D 37 28.606 -18.963 18.235 1.00 23.02 C ATOM 1654 CG ASP D 37 29.832 -19.276 17.454 1.00 28.58 C ATOM 1655 OD1 ASP D 37 30.316 -18.363 16.757 1.00 29.49 O ATOM 1656 OD2 ASP D 37 30.300 -20.437 17.564 1.00 31.35 O ATOM 1657 H ASP D 37 29.890 -17.277 19.778 1.00 0.00 H ATOM 1658 N GLU D 38 25.898 -17.569 18.293 1.00 22.41 N ATOM 1659 CA GLU D 38 24.550 -17.560 18.868 1.00 20.66 C ATOM 1660 C GLU D 38 24.392 -16.426 19.845 1.00 20.80 C ATOM 1661 O GLU D 38 24.154 -16.630 21.043 1.00 20.19 O ATOM 1662 CB GLU D 38 24.266 -18.882 19.577 1.00 23.83 C ATOM 1663 CG GLU D 38 24.513 -20.053 18.666 1.00 24.96 C ATOM 1664 CD GLU D 38 23.419 -20.166 17.660 1.00 28.96 C ATOM 1665 OE1 GLU D 38 22.274 -19.790 18.004 1.00 32.10 O ATOM 1666 OE2 GLU D 38 23.708 -20.617 16.544 1.00 33.49 O ATOM 1667 H GLU D 38 26.006 -17.814 17.288 1.00 0.00 H ATOM 1668 N CYS D 39 24.535 -15.207 19.334 1.00 18.67 N ATOM 1669 CA CYS D 39 24.641 -14.088 20.227 1.00 20.94 C ATOM 1670 C CYS D 39 23.625 -13.038 19.812 1.00 18.86 C ATOM 1671 O CYS D 39 23.055 -13.074 18.697 1.00 20.32 O ATOM 1672 CB CYS D 39 26.061 -13.476 20.115 1.00 18.69 C ATOM 1673 SG CYS D 39 26.439 -12.875 18.448 1.00 22.09 S ATOM 1674 H CYS D 39 24.570 -15.066 18.304 1.00 0.00 H ATOM 1675 N LEU D 40 23.429 -12.106 20.717 1.00 17.24 N ATOM 1676 CA LEU D 40 22.805 -10.876 20.462 1.00 19.72 C ATOM 1677 C LEU D 40 23.902 -9.814 20.285 1.00 19.53 C ATOM 1678 O LEU D 40 24.635 -9.439 21.206 1.00 20.22 O ATOM 1679 CB LEU D 40 21.928 -10.558 21.670 1.00 22.37 C ATOM 1680 CG LEU D 40 20.767 -9.612 21.450 1.00 25.65 C ATOM 1681 CD1 LEU D 40 19.886 -9.956 20.239 1.00 25.99 C ATOM 1682 CD2 LEU D 40 19.971 -9.624 22.759 1.00 27.78 C ATOM 1683 H LEU D 40 23.758 -12.292 21.686 1.00 0.00 H ATOM 1684 N ALA D 41 24.034 -9.356 19.070 1.00 17.39 N ATOM 1685 CA ALA D 41 25.051 -8.375 18.741 1.00 16.40 C ATOM 1686 C ALA D 41 24.427 -7.017 18.947 1.00 17.93 C ATOM 1687 O ALA D 41 23.460 -6.652 18.246 1.00 18.80 O ATOM 1688 CB ALA D 41 25.418 -8.486 17.259 1.00 15.75 C ATOM 1689 H ALA D 41 23.398 -9.701 18.323 1.00 0.00 H ATOM 1690 N CYS D 42 25.003 -6.300 19.891 1.00 17.89 N ATOM 1691 CA CYS D 42 24.513 -5.012 20.339 1.00 18.99 C ATOM 1692 C CYS D 42 25.339 -3.885 19.822 1.00 17.86 C ATOM 1693 O CYS D 42 26.388 -3.562 20.397 1.00 21.14 O ATOM 1694 CB CYS D 42 24.435 -5.014 21.874 1.00 18.50 C ATOM 1695 SG CYS D 42 23.278 -6.323 22.427 1.00 25.18 S ATOM 1696 H CYS D 42 25.860 -6.681 20.341 1.00 0.00 H ATOM 1697 N PHE D 43 24.881 -3.252 18.742 1.00 17.63 N ATOM 1698 CA PHE D 43 25.621 -2.120 18.159 1.00 18.29 C ATOM 1699 C PHE D 43 25.146 -0.850 18.836 1.00 18.94 C ATOM 1700 O PHE D 43 23.931 -0.594 18.854 1.00 19.88 O ATOM 1701 CB PHE D 43 25.378 -2.023 16.671 1.00 18.70 C ATOM 1702 CG PHE D 43 25.897 -3.185 15.908 1.00 19.68 C ATOM 1703 CD1 PHE D 43 27.179 -3.163 15.416 1.00 21.51 C ATOM 1704 CD2 PHE D 43 25.129 -4.333 15.757 1.00 21.07 C ATOM 1705 CE1 PHE D 43 27.704 -4.239 14.740 1.00 23.24 C ATOM 1706 CE2 PHE D 43 25.627 -5.430 15.069 1.00 20.57 C ATOM 1707 CZ PHE D 43 26.926 -5.379 14.571 1.00 21.52 C ATOM 1708 H PHE D 43 23.989 -3.562 18.305 1.00 0.00 H ATOM 1709 N ILE D 44 26.073 -0.090 19.411 1.00 15.15 N ATOM 1710 CA ILE D 44 25.658 0.961 20.351 1.00 16.84 C ATOM 1711 C ILE D 44 26.304 2.307 20.089 1.00 16.81 C ATOM 1712 O ILE D 44 27.567 2.386 19.942 1.00 18.66 O ATOM 1713 CB ILE D 44 25.931 0.519 21.814 1.00 17.65 C ATOM 1714 CG1 ILE D 44 25.193 -0.777 22.202 1.00 20.80 C ATOM 1715 CG2 ILE D 44 25.670 1.687 22.750 1.00 20.56 C ATOM 1716 CD1 ILE D 44 25.710 -1.353 23.503 1.00 24.53 C ATOM 1717 H ILE D 44 27.080 -0.237 19.198 1.00 0.00 H ATOM 1718 N ALA D 45 25.487 3.348 19.920 1.00 18.91 N ATOM 1719 CA ALA D 45 26.016 4.710 19.882 1.00 17.93 C ATOM 1720 C ALA D 45 25.669 5.384 21.201 1.00 18.85 C ATOM 1721 O ALA D 45 24.479 5.464 21.555 1.00 18.75 O ATOM 1722 CB ALA D 45 25.389 5.515 18.734 1.00 19.84 C ATOM 1723 H ALA D 45 24.465 3.189 19.814 1.00 0.00 H ATOM 1724 N VAL D 46 26.685 5.840 21.924 1.00 19.49 N ATOM 1725 CA VAL D 46 26.466 6.611 23.181 1.00 18.27 C ATOM 1726 C VAL D 46 26.312 8.049 22.804 1.00 20.22 C ATOM 1727 O VAL D 46 27.144 8.590 22.097 1.00 18.07 O ATOM 1728 CB VAL D 46 27.598 6.378 24.175 1.00 17.53 C ATOM 1729 CG1 VAL D 46 27.283 7.006 25.554 1.00 18.43 C ATOM 1730 CG2 VAL D 46 27.838 4.873 24.313 1.00 19.98 C ATOM 1731 H VAL D 46 27.658 5.655 21.606 1.00 0.00 H ATOM 1732 N GLU D 47 25.164 8.619 23.184 1.00 21.32 N ATOM 1733 CA GLU D 47 24.790 9.979 22.770 1.00 21.10 C ATOM 1734 C GLU D 47 25.079 11.052 23.848 1.00 20.28 C ATOM 1735 O GLU D 47 25.306 10.743 25.030 1.00 19.52 O ATOM 1736 CB GLU D 47 23.299 10.014 22.416 1.00 23.15 C ATOM 1737 CG GLU D 47 22.912 9.016 21.363 1.00 23.88 C ATOM 1738 CD GLU D 47 21.439 9.136 21.006 1.00 24.57 C ATOM 1739 OE1 GLU D 47 20.607 8.740 21.826 1.00 24.53 O ATOM 1740 OE2 GLU D 47 21.121 9.614 19.892 1.00 26.34 O ATOM 1741 H GLU D 47 24.514 8.082 23.793 1.00 0.00 H ATOM 1742 N ARG D 48 25.103 12.310 23.431 1.00 21.04 N ATOM 1743 CA ARG D 48 25.548 13.382 24.329 1.00 22.13 C ATOM 1744 C ARG D 48 24.618 13.461 25.512 1.00 24.90 C ATOM 1745 O ARG D 48 25.036 13.826 26.596 1.00 24.51 O ATOM 1746 CB ARG D 48 25.605 14.726 23.603 1.00 25.78 C ATOM 1747 CG ARG D 48 26.274 15.839 24.430 1.00 27.96 C ATOM 1748 CD ARG D 48 27.785 15.678 24.465 1.00 31.70 C ATOM 1749 NE ARG D 48 28.446 16.461 25.497 1.00 30.14 N ATOM 1750 CZ ARG D 48 29.778 16.624 25.589 1.00 32.52 C ATOM 1751 NH1 ARG D 48 30.609 16.089 24.681 1.00 28.81 N ATOM 1752 NH2 ARG D 48 30.282 17.372 26.570 1.00 28.86 N ATOM 1753 HE ARG D 48 27.849 16.926 26.211 1.00 0.00 H ATOM 1754 HH12 ARG D 48 31.636 16.227 24.771 1.00 0.00 H ATOM 1755 HH11 ARG D 48 30.226 15.536 23.888 1.00 0.00 H ATOM 1756 HH22 ARG D 48 31.311 17.503 26.648 1.00 0.00 H ATOM 1757 HH21 ARG D 48 29.647 17.825 27.258 1.00 0.00 H ATOM 1758 H ARG D 48 24.805 12.539 22.461 1.00 0.00 H ATOM 1759 N GLU D 49 23.348 13.110 25.316 1.00 25.47 N ATOM 1760 CA GLU D 49 22.391 13.163 26.445 1.00 28.54 C ATOM 1761 C GLU D 49 22.752 12.219 27.571 1.00 28.58 C ATOM 1762 O GLU D 49 22.389 12.434 28.743 1.00 27.90 O ATOM 1763 CB GLU D 49 20.956 12.908 25.964 1.00 29.51 C ATOM 1764 CG GLU D 49 20.598 13.769 24.773 1.00 35.91 C ATOM 1765 CD GLU D 49 20.689 12.996 23.467 1.00 41.92 C ATOM 1766 OE1 GLU D 49 21.715 13.180 22.722 1.00 33.83 O ATOM 1767 OE2 GLU D 49 19.729 12.194 23.226 1.00 41.92 O ATOM 1768 H GLU D 49 23.030 12.800 24.375 1.00 0.00 H ATOM 1769 N ASP D 50 23.520 11.187 27.213 1.00 27.73 N ATOM 1770 CA ASP D 50 23.928 10.166 28.145 1.00 26.01 C ATOM 1771 C ASP D 50 24.973 10.701 29.088 1.00 26.26 C ATOM 1772 O ASP D 50 25.182 10.104 30.141 1.00 25.68 O ATOM 1773 CB ASP D 50 24.427 8.916 27.400 1.00 26.42 C ATOM 1774 CG ASP D 50 23.434 8.419 26.350 1.00 25.66 C ATOM 1775 OD1 ASP D 50 22.185 8.530 26.536 1.00 30.72 O ATOM 1776 OD2 ASP D 50 23.890 7.790 25.373 1.00 27.60 O ATOM 1777 H ASP D 50 23.836 11.117 26.225 1.00 0.00 H ATOM 1778 N GLU D 51 25.525 11.886 28.747 1.00 23.29 N ATOM 1779 CA GLU D 51 26.512 12.571 29.571 1.00 25.36 C ATOM 1780 C GLU D 51 25.899 12.953 30.948 1.00 24.89 C ATOM 1781 O GLU D 51 26.564 12.831 31.961 1.00 29.04 O ATOM 1782 CB GLU D 51 27.120 13.807 28.844 1.00 24.44 C ATOM 1783 CG GLU D 51 27.892 13.480 27.546 1.00 27.02 C ATOM 1784 CD GLU D 51 29.384 13.177 27.781 1.00 26.70 C ATOM 1785 OE1 GLU D 51 29.792 13.030 28.965 1.00 28.34 O ATOM 1786 OE2 GLU D 51 30.154 13.121 26.795 1.00 22.60 O ATOM 1787 H GLU D 51 25.231 12.330 27.854 1.00 0.00 H ATOM 1788 N ASN D 52 24.614 13.299 30.996 1.00 25.42 N ATOM 1789 CA ASN D 52 23.973 13.683 32.252 1.00 27.71 C ATOM 1790 C ASN D 52 23.816 12.558 33.277 1.00 29.28 C ATOM 1791 O ASN D 52 23.699 12.802 34.488 1.00 25.95 O ATOM 1792 CB ASN D 52 22.624 14.335 31.937 1.00 34.50 C ATOM 1793 CG ASN D 52 22.774 15.547 31.035 1.00 39.69 C ATOM 1794 OD1 ASN D 52 22.362 15.532 29.874 1.00 40.15 O ATOM 1795 ND2 ASN D 52 23.401 16.597 31.556 1.00 39.92 N ATOM 1796 HD22 ASN D 52 23.733 16.568 32.541 1.00 0.00 H ATOM 1797 HD21 ASN D 52 23.560 17.447 30.978 1.00 0.00 H ATOM 1798 H ASN D 52 24.054 13.296 30.120 1.00 0.00 H ATOM 1799 N ASN D 53 23.897 11.311 32.807 1.00 27.78 N ATOM 1800 CA ASN D 53 23.654 10.137 33.657 1.00 27.53 C ATOM 1801 C ASN D 53 24.178 8.842 32.981 1.00 24.38 C ATOM 1802 O ASN D 53 23.382 7.999 32.549 1.00 26.43 O ATOM 1803 CB ASN D 53 22.156 10.017 33.940 1.00 29.76 C ATOM 1804 CG ASN D 53 21.818 8.918 34.930 1.00 27.58 C ATOM 1805 OD1 ASN D 53 22.689 8.302 35.543 1.00 30.98 O ATOM 1806 ND2 ASN D 53 20.526 8.683 35.096 1.00 31.20 N ATOM 1807 HD22 ASN D 53 19.825 9.229 34.556 1.00 0.00 H ATOM 1808 HD21 ASN D 53 20.212 7.953 35.767 1.00 0.00 H ATOM 1809 H ASN D 53 24.140 11.166 31.806 1.00 0.00 H ATOM 1810 N PRO D 54 25.521 8.685 32.930 1.00 23.36 N ATOM 1811 CA PRO D 54 26.137 7.491 32.371 1.00 24.56 C ATOM 1812 C PRO D 54 25.739 6.233 33.082 1.00 23.81 C ATOM 1813 O PRO D 54 25.584 5.221 32.417 1.00 22.33 O ATOM 1814 CB PRO D 54 27.636 7.732 32.538 1.00 26.88 C ATOM 1815 CG PRO D 54 27.748 8.787 33.596 1.00 26.13 C ATOM 1816 CD PRO D 54 26.520 9.631 33.458 1.00 24.02 C ATOM 1817 N GLU D 55 25.593 6.278 34.398 1.00 26.25 N ATOM 1818 CA GLU D 55 25.127 5.103 35.127 1.00 26.83 C ATOM 1819 C GLU D 55 23.723 4.612 34.761 1.00 26.44 C ATOM 1820 O GLU D 55 23.528 3.401 34.565 1.00 26.22 O ATOM 1821 CB GLU D 55 25.227 5.334 36.654 1.00 32.30 C ATOM 1822 CG GLU D 55 26.313 6.295 37.101 1.00 42.77 C ATOM 1823 CD GLU D 55 25.790 7.734 37.250 1.00 46.18 C ATOM 1824 OE1 GLU D 55 25.605 8.428 36.234 1.00 44.41 O ATOM 1825 OE2 GLU D 55 25.533 8.168 38.405 1.00 55.51 O ATOM 1826 H GLU D 55 25.811 7.154 34.914 1.00 0.00 H ATOM 1827 N GLY D 56 22.743 5.520 34.714 1.00 26.59 N ATOM 1828 CA GLY D 56 21.354 5.155 34.437 1.00 23.49 C ATOM 1829 C GLY D 56 21.283 4.653 32.984 1.00 22.61 C ATOM 1830 O GLY D 56 20.485 3.763 32.654 1.00 27.45 O ATOM 1831 H GLY D 56 22.976 6.520 34.880 1.00 0.00 H ATOM 1832 N THR D 57 22.127 5.231 32.147 1.00 21.88 N ATOM 1833 CA THR D 57 22.124 4.884 30.746 1.00 19.66 C ATOM 1834 C THR D 57 22.561 3.425 30.575 1.00 20.50 C ATOM 1835 O THR D 57 21.954 2.704 29.788 1.00 21.60 O ATOM 1836 CB THR D 57 23.112 5.734 29.958 1.00 20.78 C ATOM 1837 OG1 THR D 57 22.762 7.114 30.031 1.00 22.64 O ATOM 1838 CG2 THR D 57 23.024 5.327 28.499 1.00 20.93 C ATOM 1839 HG1 THR D 57 22.772 7.406 30.977 1.00 0.00 H ATOM 1840 H THR D 57 22.799 5.942 32.501 1.00 0.00 H ATOM 1841 N ALA D 58 23.641 3.018 31.241 1.00 20.54 N ATOM 1842 CA ALA D 58 24.146 1.631 31.134 1.00 21.93 C ATOM 1843 C ALA D 58 23.113 0.671 31.722 1.00 22.54 C ATOM 1844 O ALA D 58 22.813 -0.330 31.135 1.00 22.03 O ATOM 1845 CB ALA D 58 25.490 1.514 31.835 1.00 21.17 C ATOM 1846 H ALA D 58 24.143 3.693 31.853 1.00 0.00 H ATOM 1847 N ILE D 59 22.538 1.040 32.873 1.00 23.83 N ATOM 1848 CA ILE D 59 21.428 0.267 33.473 1.00 24.66 C ATOM 1849 C ILE D 59 20.241 0.132 32.555 1.00 23.65 C ATOM 1850 O ILE D 59 19.704 -0.970 32.393 1.00 22.56 O ATOM 1851 CB ILE D 59 20.910 0.912 34.797 1.00 26.11 C ATOM 1852 CG1 ILE D 59 22.017 1.016 35.848 1.00 28.16 C ATOM 1853 CG2 ILE D 59 19.614 0.225 35.282 1.00 24.48 C ATOM 1854 CD1 ILE D 59 22.703 -0.256 36.258 1.00 31.54 C ATOM 1855 H ILE D 59 22.881 1.893 33.359 1.00 0.00 H ATOM 1856 N GLY D 60 19.833 1.256 31.961 1.00 23.58 N ATOM 1857 CA GLY D 60 18.753 1.291 30.967 1.00 23.56 C ATOM 1858 C GLY D 60 19.060 0.381 29.788 1.00 22.17 C ATOM 1859 O GLY D 60 18.185 -0.353 29.304 1.00 22.29 O ATOM 1860 H GLY D 60 20.302 2.149 32.214 1.00 0.00 H ATOM 1861 N ALA D 61 20.308 0.438 29.310 1.00 19.70 N ATOM 1862 CA ALA D 61 20.735 -0.383 28.172 1.00 19.30 C ATOM 1863 C ALA D 61 20.592 -1.874 28.457 1.00 21.37 C ATOM 1864 O ALA D 61 19.990 -2.637 27.648 1.00 20.43 O ATOM 1865 CB ALA D 61 22.209 -0.064 27.794 1.00 21.04 C ATOM 1866 H ALA D 61 20.993 1.081 29.757 1.00 0.00 H ATOM 1867 N VAL D 62 21.138 -2.248 29.610 1.00 20.89 N ATOM 1868 CA VAL D 62 21.222 -3.664 30.023 1.00 20.63 C ATOM 1869 C VAL D 62 19.802 -4.193 30.196 1.00 20.07 C ATOM 1870 O VAL D 62 19.523 -5.326 29.839 1.00 21.05 O ATOM 1871 CB VAL D 62 22.000 -3.827 31.310 1.00 20.25 C ATOM 1872 CG1 VAL D 62 21.773 -5.225 31.906 1.00 21.81 C ATOM 1873 CG2 VAL D 62 23.496 -3.597 31.078 1.00 21.61 C ATOM 1874 H VAL D 62 21.520 -1.517 30.244 1.00 0.00 H ATOM 1875 N GLU D 63 18.921 -3.356 30.757 1.00 20.02 N ATOM 1876 CA GLU D 63 17.526 -3.754 30.913 1.00 24.74 C ATOM 1877 C GLU D 63 16.881 -4.136 29.586 1.00 24.14 C ATOM 1878 O GLU D 63 16.160 -5.122 29.505 1.00 24.25 O ATOM 1879 CB GLU D 63 16.744 -2.628 31.563 1.00 29.21 C ATOM 1880 CG GLU D 63 15.538 -3.144 32.288 1.00 40.73 C ATOM 1881 CD GLU D 63 14.905 -2.080 33.156 1.00 49.38 C ATOM 1882 OE1 GLU D 63 15.607 -1.531 34.053 1.00 54.60 O ATOM 1883 OE2 GLU D 63 13.704 -1.807 32.927 1.00 53.82 O ATOM 1884 H GLU D 63 19.232 -2.419 31.083 1.00 0.00 H ATOM 1885 N GLU D 64 17.141 -3.333 28.551 1.00 21.42 N ATOM 1886 CA GLU D 64 16.638 -3.647 27.236 1.00 22.80 C ATOM 1887 C GLU D 64 17.267 -4.887 26.631 1.00 21.54 C ATOM 1888 O GLU D 64 16.581 -5.705 26.002 1.00 21.12 O ATOM 1889 CB GLU D 64 16.746 -2.435 26.311 1.00 24.42 C ATOM 1890 CG GLU D 64 15.787 -1.295 26.740 1.00 25.66 C ATOM 1891 CD GLU D 64 14.293 -1.695 26.781 1.00 29.73 C ATOM 1892 OE1 GLU D 64 13.773 -2.311 25.843 1.00 29.96 O ATOM 1893 OE2 GLU D 64 13.625 -1.375 27.767 1.00 32.66 O ATOM 1894 H GLU D 64 17.711 -2.475 28.694 1.00 0.00 H ATOM 1895 N ILE D 65 18.564 -5.057 26.820 1.00 19.95 N ATOM 1896 CA ILE D 65 19.262 -6.261 26.324 1.00 18.43 C ATOM 1897 C ILE D 65 18.665 -7.512 26.971 1.00 19.36 C ATOM 1898 O ILE D 65 18.434 -8.510 26.306 1.00 18.57 O ATOM 1899 CB ILE D 65 20.808 -6.170 26.531 1.00 20.41 C ATOM 1900 CG1 ILE D 65 21.409 -5.050 25.654 1.00 20.35 C ATOM 1901 CG2 ILE D 65 21.486 -7.517 26.283 1.00 19.43 C ATOM 1902 CD1 ILE D 65 22.768 -4.552 26.106 1.00 20.55 C ATOM 1903 H ILE D 65 19.104 -4.328 27.328 1.00 0.00 H ATOM 1904 N GLU D 66 18.412 -7.443 28.273 1.00 18.38 N ATOM 1905 CA GLU D 66 17.923 -8.555 29.012 1.00 22.23 C ATOM 1906 C GLU D 66 16.542 -9.003 28.550 1.00 20.70 C ATOM 1907 O GLU D 66 16.264 -10.206 28.534 1.00 22.12 O ATOM 1908 CB GLU D 66 17.913 -8.245 30.519 1.00 21.41 C ATOM 1909 CG GLU D 66 19.233 -8.605 31.227 1.00 24.61 C ATOM 1910 CD GLU D 66 19.061 -8.867 32.721 1.00 30.14 C ATOM 1911 OE1 GLU D 66 18.702 -7.940 33.499 1.00 32.53 O ATOM 1912 OE2 GLU D 66 19.320 -10.009 33.124 1.00 34.71 O ATOM 1913 H GLU D 66 18.577 -6.544 28.769 1.00 0.00 H ATOM 1914 N LYS D 67 15.688 -8.037 28.205 1.00 22.11 N ATOM 1915 CA LYS D 67 14.344 -8.343 27.799 1.00 23.45 C ATOM 1916 C LYS D 67 14.376 -9.141 26.511 1.00 25.51 C ATOM 1917 O LYS D 67 13.680 -10.167 26.381 1.00 28.15 O ATOM 1918 CB LYS D 67 13.515 -7.077 27.593 1.00 26.45 C ATOM 1919 CG LYS D 67 12.897 -6.536 28.868 1.00 30.25 C ATOM 1920 CD LYS D 67 11.843 -5.502 28.531 1.00 34.88 C ATOM 1921 CE LYS D 67 12.465 -4.118 28.484 1.00 36.98 C ATOM 1922 NZ LYS D 67 11.553 -3.066 27.956 1.00 40.70 N ATOM 1923 HZ1 LYS D 67 11.269 -3.310 26.986 1.00 0.00 H ATOM 1924 HZ2 LYS D 67 10.709 -3.005 28.561 1.00 0.00 H ATOM 1925 HZ3 LYS D 67 12.046 -2.150 27.954 1.00 0.00 H ATOM 1926 H LYS D 67 16.001 -7.045 28.230 1.00 0.00 H ATOM 1927 N VAL D 68 15.257 -8.725 25.596 1.00 22.50 N ATOM 1928 CA VAL D 68 15.399 -9.470 24.329 1.00 21.18 C ATOM 1929 C VAL D 68 16.065 -10.820 24.496 1.00 23.21 C ATOM 1930 O VAL D 68 15.557 -11.822 23.964 1.00 23.88 O ATOM 1931 CB VAL D 68 16.165 -8.698 23.243 1.00 19.62 C ATOM 1932 CG1 VAL D 68 16.247 -9.574 21.999 1.00 21.29 C ATOM 1933 CG2 VAL D 68 15.395 -7.449 22.928 1.00 21.74 C ATOM 1934 H VAL D 68 15.839 -7.882 25.775 1.00 0.00 H ATOM 1935 N ALA D 69 17.206 -10.831 25.201 1.00 22.25 N ATOM 1936 CA ALA D 69 17.929 -12.080 25.403 1.00 25.19 C ATOM 1937 C ALA D 69 17.057 -13.089 26.106 1.00 23.56 C ATOM 1938 O ALA D 69 17.126 -14.251 25.778 1.00 23.36 O ATOM 1939 CB ALA D 69 19.247 -11.883 26.158 1.00 22.59 C ATOM 1940 H ALA D 69 17.575 -9.946 25.604 1.00 0.00 H ATOM 1941 N ASN D 70 16.199 -12.647 27.027 1.00 25.00 N ATOM 1942 CA ASN D 70 15.350 -13.601 27.738 1.00 28.13 C ATOM 1943 C ASN D 70 14.292 -14.152 26.815 1.00 25.14 C ATOM 1944 O ASN D 70 13.962 -15.340 26.914 1.00 27.44 O ATOM 1945 CB ASN D 70 14.707 -13.002 28.998 1.00 32.06 C ATOM 1946 CG ASN D 70 15.705 -12.821 30.118 1.00 35.99 C ATOM 1947 OD1 ASN D 70 16.684 -13.582 30.223 1.00 42.34 O ATOM 1948 ND2 ASN D 70 15.494 -11.801 30.942 1.00 34.65 N ATOM 1949 HD22 ASN D 70 14.660 -11.193 30.814 1.00 0.00 H ATOM 1950 HD21 ASN D 70 16.162 -11.611 31.716 1.00 0.00 H ATOM 1951 H ASN D 70 16.135 -11.631 27.238 1.00 0.00 H ATOM 1952 N GLN D 71 13.797 -13.325 25.891 1.00 23.72 N ATOM 1953 CA GLN D 71 12.727 -13.772 24.998 1.00 24.08 C ATOM 1954 C GLN D 71 13.296 -14.815 24.084 1.00 25.33 C ATOM 1955 O GLN D 71 12.668 -15.819 23.802 1.00 26.06 O ATOM 1956 CB GLN D 71 12.181 -12.630 24.159 1.00 22.51 C ATOM 1957 CG GLN D 71 11.148 -13.064 23.114 1.00 25.58 C ATOM 1958 CD GLN D 71 9.928 -13.720 23.744 1.00 27.37 C ATOM 1959 OE1 GLN D 71 9.677 -14.923 23.539 1.00 28.57 O ATOM 1960 NE2 GLN D 71 9.131 -12.928 24.477 1.00 24.74 N ATOM 1961 HE22 GLN D 71 9.381 -11.929 24.621 1.00 0.00 H ATOM 1962 HE21 GLN D 71 8.263 -13.313 24.901 1.00 0.00 H ATOM 1963 H GLN D 71 14.173 -12.359 25.805 1.00 0.00 H ATOM 1964 N LEU D 72 14.509 -14.559 23.612 1.00 22.99 N ATOM 1965 CA LEU D 72 15.124 -15.421 22.606 1.00 24.56 C ATOM 1966 C LEU D 72 15.954 -16.555 23.185 1.00 27.23 C ATOM 1967 O LEU D 72 16.505 -17.349 22.403 1.00 30.01 O ATOM 1968 CB LEU D 72 15.999 -14.545 21.705 1.00 24.66 C ATOM 1969 CG LEU D 72 15.460 -13.956 20.383 1.00 28.43 C ATOM 1970 CD1 LEU D 72 13.940 -13.887 20.141 1.00 26.91 C ATOM 1971 CD2 LEU D 72 16.121 -12.613 20.132 1.00 28.53 C ATOM 1972 H LEU D 72 15.031 -13.731 23.964 1.00 0.00 H ATOM 1973 N LYS D 73 16.096 -16.611 24.516 1.00 23.81 N ATOM 1974 CA LYS D 73 16.947 -17.616 25.178 1.00 24.90 C ATOM 1975 C LYS D 73 18.415 -17.542 24.750 1.00 22.61 C ATOM 1976 O LYS D 73 19.052 -18.567 24.436 1.00 23.40 O ATOM 1977 CB LYS D 73 16.390 -19.013 24.948 1.00 24.87 C ATOM 1978 CG LYS D 73 14.935 -19.082 25.448 1.00 29.44 C ATOM 1979 CD LYS D 73 14.183 -20.326 25.011 1.00 36.37 C ATOM 1980 CE LYS D 73 12.739 -20.247 25.508 1.00 35.47 C ATOM 1981 NZ LYS D 73 12.669 -19.784 26.927 1.00 38.36 N ATOM 1982 HZ1 LYS D 73 13.189 -20.450 27.534 1.00 0.00 H ATOM 1983 HZ2 LYS D 73 13.095 -18.838 27.003 1.00 0.00 H ATOM 1984 HZ3 LYS D 73 11.674 -19.743 27.228 1.00 0.00 H ATOM 1985 H LYS D 73 15.587 -15.920 25.104 1.00 0.00 H ATOM 1986 N VAL D 74 18.928 -16.322 24.746 1.00 20.27 N ATOM 1987 CA VAL D 74 20.312 -16.041 24.428 1.00 21.37 C ATOM 1988 C VAL D 74 21.127 -15.634 25.654 1.00 20.77 C ATOM 1989 O VAL D 74 20.705 -14.789 26.413 1.00 22.77 O ATOM 1990 CB VAL D 74 20.373 -14.923 23.345 1.00 22.08 C ATOM 1991 CG1 VAL D 74 21.824 -14.484 23.092 1.00 22.54 C ATOM 1992 CG2 VAL D 74 19.695 -15.409 22.091 1.00 24.68 C ATOM 1993 H VAL D 74 18.305 -15.524 24.984 1.00 0.00 H ATOM 1994 N ASN D 75 22.333 -16.203 25.776 1.00 21.52 N ATOM 1995 CA ASN D 75 23.256 -15.849 26.860 1.00 21.49 C ATOM 1996 C ASN D 75 24.538 -15.125 26.447 1.00 22.32 C ATOM 1997 O ASN D 75 25.321 -14.692 27.304 1.00 21.49 O ATOM 1998 CB ASN D 75 23.606 -17.054 27.738 1.00 23.22 C ATOM 1999 CG ASN D 75 24.018 -16.624 29.135 1.00 25.48 C ATOM 2000 OD1 ASN D 75 23.280 -15.881 29.800 1.00 28.30 O ATOM 2001 ND2 ASN D 75 25.215 -17.059 29.579 1.00 29.88 N ATOM 2002 HD22 ASN D 75 25.796 -17.681 28.982 1.00 0.00 H ATOM 2003 HD21 ASN D 75 25.557 -16.772 30.518 1.00 0.00 H ATOM 2004 H ASN D 75 22.625 -16.919 25.080 1.00 0.00 H ATOM 2005 N ASN D 76 24.732 -15.009 25.147 1.00 20.34 N ATOM 2006 CA ASN D 76 25.956 -14.466 24.577 1.00 20.17 C ATOM 2007 C ASN D 76 25.706 -13.111 23.949 1.00 18.84 C ATOM 2008 O ASN D 76 24.799 -13.000 23.127 1.00 21.18 O ATOM 2009 CB ASN D 76 26.436 -15.420 23.478 1.00 19.94 C ATOM 2010 CG ASN D 76 26.854 -16.766 23.997 1.00 18.98 C ATOM 2011 OD1 ASN D 76 27.055 -16.959 25.181 1.00 18.59 O ATOM 2012 ND2 ASN D 76 27.011 -17.705 23.096 1.00 19.53 N ATOM 2013 HD22 ASN D 76 26.829 -17.499 22.093 1.00 0.00 H ATOM 2014 HD21 ASN D 76 27.318 -18.656 23.384 1.00 0.00 H ATOM 2015 H ASN D 76 23.978 -15.319 24.502 1.00 0.00 H ATOM 2016 N ILE D 77 26.514 -12.109 24.309 1.00 16.47 N ATOM 2017 CA ILE D 77 26.213 -10.718 23.964 1.00 17.55 C ATOM 2018 C ILE D 77 27.480 -10.075 23.477 1.00 17.57 C ATOM 2019 O ILE D 77 28.576 -10.220 24.121 1.00 18.15 O ATOM 2020 CB ILE D 77 25.688 -9.895 25.195 1.00 18.54 C ATOM 2021 CG1 ILE D 77 24.542 -10.592 25.947 1.00 18.97 C ATOM 2022 CG2 ILE D 77 25.325 -8.459 24.752 1.00 15.99 C ATOM 2023 CD1 ILE D 77 23.225 -10.583 25.195 1.00 21.62 C ATOM 2024 H ILE D 77 27.378 -12.322 24.847 1.00 0.00 H ATOM 2025 N VAL D 78 27.386 -9.440 22.305 1.00 17.84 N ATOM 2026 CA VAL D 78 28.470 -8.634 21.818 1.00 16.57 C ATOM 2027 C VAL D 78 28.132 -7.173 22.063 1.00 17.17 C ATOM 2028 O VAL D 78 27.002 -6.711 21.775 1.00 18.62 O ATOM 2029 CB VAL D 78 28.684 -8.822 20.301 1.00 15.83 C ATOM 2030 CG1 VAL D 78 29.904 -8.010 19.820 1.00 17.48 C ATOM 2031 CG2 VAL D 78 28.887 -10.303 19.971 1.00 17.98 C ATOM 2032 H VAL D 78 26.518 -9.531 21.739 1.00 0.00 H ATOM 2033 N VAL D 79 29.073 -6.456 22.645 1.00 17.15 N ATOM 2034 CA VAL D 79 28.898 -5.005 22.849 1.00 18.10 C ATOM 2035 C VAL D 79 29.789 -4.395 21.803 1.00 19.01 C ATOM 2036 O VAL D 79 31.034 -4.515 21.862 1.00 18.72 O ATOM 2037 CB VAL D 79 29.303 -4.598 24.267 1.00 18.84 C ATOM 2038 CG1 VAL D 79 29.376 -3.085 24.410 1.00 21.57 C ATOM 2039 CG2 VAL D 79 28.342 -5.167 25.293 1.00 21.40 C ATOM 2040 H VAL D 79 29.948 -6.918 22.964 1.00 0.00 H ATOM 2041 N TYR D 80 29.173 -3.765 20.809 1.00 18.16 N ATOM 2042 CA TYR D 80 29.946 -3.299 19.660 1.00 18.11 C ATOM 2043 C TYR D 80 29.702 -1.779 19.468 1.00 17.95 C ATOM 2044 O TYR D 80 28.584 -1.333 19.117 1.00 16.79 O ATOM 2045 CB TYR D 80 29.518 -4.058 18.424 1.00 17.97 C ATOM 2046 CG TYR D 80 30.426 -4.071 17.221 1.00 18.80 C ATOM 2047 CD1 TYR D 80 30.647 -2.920 16.430 1.00 19.50 C ATOM 2048 CD2 TYR D 80 31.089 -5.254 16.880 1.00 19.68 C ATOM 2049 CE1 TYR D 80 31.466 -2.990 15.294 1.00 21.31 C ATOM 2050 CE2 TYR D 80 31.889 -5.332 15.748 1.00 19.36 C ATOM 2051 CZ TYR D 80 32.081 -4.184 14.972 1.00 20.94 C ATOM 2052 OH TYR D 80 32.892 -4.215 13.864 1.00 21.17 O ATOM 2053 HH TYR D 80 32.908 -3.319 13.443 1.00 0.00 H ATOM 2054 H TYR D 80 28.146 -3.604 20.848 1.00 0.00 H ATOM 2055 N PRO D 81 30.757 -0.987 19.706 1.00 16.87 N ATOM 2056 CA PRO D 81 30.681 0.484 19.588 1.00 17.82 C ATOM 2057 C PRO D 81 30.321 0.786 18.128 1.00 18.10 C ATOM 2058 O PRO D 81 30.970 0.266 17.225 1.00 20.60 O ATOM 2059 CB PRO D 81 32.139 0.947 19.888 1.00 18.79 C ATOM 2060 CG PRO D 81 32.819 -0.222 20.466 1.00 19.90 C ATOM 2061 CD PRO D 81 32.133 -1.450 19.960 1.00 18.56 C ATOM 2062 N TYR D 82 29.219 1.525 17.891 1.00 17.48 N ATOM 2063 CA TYR D 82 28.800 1.861 16.539 1.00 19.51 C ATOM 2064 C TYR D 82 28.278 3.307 16.460 1.00 20.75 C ATOM 2065 O TYR D 82 27.058 3.564 16.526 1.00 19.91 O ATOM 2066 CB TYR D 82 27.757 0.869 15.959 1.00 19.80 C ATOM 2067 CG TYR D 82 27.993 0.572 14.494 1.00 21.44 C ATOM 2068 CD1 TYR D 82 28.981 -0.321 14.101 1.00 23.75 C ATOM 2069 CD2 TYR D 82 27.243 1.205 13.507 1.00 25.63 C ATOM 2070 CE1 TYR D 82 29.204 -0.581 12.740 1.00 25.06 C ATOM 2071 CE2 TYR D 82 27.486 0.982 12.160 1.00 27.50 C ATOM 2072 CZ TYR D 82 28.452 0.063 11.802 1.00 27.25 C ATOM 2073 OH TYR D 82 28.727 -0.201 10.472 1.00 33.88 O ATOM 2074 HH TYR D 82 29.443 -0.882 10.413 1.00 0.00 H ATOM 2075 H TYR D 82 28.654 1.864 18.695 1.00 0.00 H ATOM 2076 N ALA D 83 29.202 4.216 16.172 1.00 18.99 N ATOM 2077 CA ALA D 83 28.874 5.656 16.159 1.00 19.95 C ATOM 2078 C ALA D 83 27.803 6.006 15.100 1.00 21.27 C ATOM 2079 O ALA D 83 27.060 6.948 15.290 1.00 22.10 O ATOM 2080 CB ALA D 83 30.129 6.513 15.955 1.00 22.00 C ATOM 2081 H ALA D 83 30.171 3.909 15.952 1.00 0.00 H ATOM 2082 N HIS D 84 27.714 5.249 13.989 1.00 22.37 N ATOM 2083 CA HIS D 84 26.849 5.637 12.903 1.00 25.25 C ATOM 2084 C HIS D 84 25.379 5.613 13.256 1.00 26.44 C ATOM 2085 O HIS D 84 24.558 6.135 12.514 1.00 26.16 O ATOM 2086 CB HIS D 84 27.127 4.783 11.670 1.00 30.11 C ATOM 2087 CG HIS D 84 28.480 5.035 11.075 1.00 33.78 C ATOM 2088 ND1 HIS D 84 29.369 4.046 10.824 1.00 41.24 N ATOM 2089 CD2 HIS D 84 29.103 6.220 10.722 1.00 37.51 C ATOM 2090 CE1 HIS D 84 30.485 4.576 10.302 1.00 37.99 C ATOM 2091 NE2 HIS D 84 30.323 5.906 10.234 1.00 41.23 N ATOM 2092 H HIS D 84 28.275 4.376 13.914 1.00 0.00 H ATOM 2093 N LEU D 85 25.004 4.991 14.374 1.00 23.84 N ATOM 2094 CA LEU D 85 23.578 4.982 14.784 1.00 24.06 C ATOM 2095 C LEU D 85 23.037 6.314 15.245 1.00 25.21 C ATOM 2096 O LEU D 85 21.815 6.518 15.279 1.00 28.13 O ATOM 2097 CB LEU D 85 23.308 3.910 15.856 1.00 24.58 C ATOM 2098 CG LEU D 85 23.632 2.498 15.406 1.00 22.14 C ATOM 2099 CD1 LEU D 85 23.281 1.527 16.533 1.00 25.76 C ATOM 2100 CD2 LEU D 85 23.040 2.076 14.059 1.00 24.58 C ATOM 2101 H LEU D 85 25.714 4.510 14.962 1.00 0.00 H ATOM 2102 N SER D 86 23.925 7.246 15.566 1.00 27.46 N ATOM 2103 CA SER D 86 23.471 8.545 16.073 1.00 27.36 C ATOM 2104 C SER D 86 24.322 9.644 15.509 1.00 29.16 C ATOM 2105 O SER D 86 25.551 9.464 15.341 1.00 28.55 O ATOM 2106 CB SER D 86 23.504 8.579 17.586 1.00 28.24 C ATOM 2107 OG SER D 86 23.275 9.889 18.067 1.00 29.98 O ATOM 2108 HG SER D 86 23.301 9.885 19.057 1.00 0.00 H ATOM 2109 H SER D 86 24.942 7.056 15.458 1.00 0.00 H ATOM 2110 N SER D 87 23.667 10.790 15.261 1.00 29.90 N ATOM 2111 CA SER D 87 24.330 12.014 14.807 1.00 31.48 C ATOM 2112 C SER D 87 24.627 12.963 15.963 1.00 29.04 C ATOM 2113 O SER D 87 25.161 14.068 15.753 1.00 27.61 O ATOM 2114 CB SER D 87 23.446 12.774 13.787 1.00 32.59 C ATOM 2115 OG SER D 87 22.850 11.900 12.854 1.00 48.20 O ATOM 2116 HG SER D 87 22.295 12.422 12.222 1.00 0.00 H ATOM 2117 H SER D 87 22.636 10.809 15.398 1.00 0.00 H ATOM 2118 N ASP D 88 24.276 12.564 17.186 1.00 25.72 N ATOM 2119 CA ASP D 88 24.550 13.418 18.334 1.00 26.63 C ATOM 2120 C ASP D 88 25.335 12.671 19.409 1.00 23.66 C ATOM 2121 O ASP D 88 24.814 12.370 20.471 1.00 24.48 O ATOM 2122 CB ASP D 88 23.230 13.986 18.856 1.00 29.22 C ATOM 2123 CG ASP D 88 23.415 15.029 19.931 1.00 35.42 C ATOM 2124 OD1 ASP D 88 24.473 15.720 19.976 1.00 35.87 O ATOM 2125 OD2 ASP D 88 22.472 15.143 20.741 1.00 34.71 O ATOM 2126 H ASP D 88 23.808 11.645 17.320 1.00 0.00 H ATOM 2127 N LEU D 89 26.606 12.388 19.091 1.00 24.01 N ATOM 2128 CA LEU D 89 27.466 11.504 19.922 1.00 21.27 C ATOM 2129 C LEU D 89 27.985 12.116 21.223 1.00 21.73 C ATOM 2130 O LEU D 89 28.211 13.320 21.319 1.00 21.78 O ATOM 2131 CB LEU D 89 28.679 10.980 19.095 1.00 20.89 C ATOM 2132 CG LEU D 89 28.363 10.236 17.802 1.00 23.06 C ATOM 2133 CD1 LEU D 89 29.629 9.973 17.005 1.00 24.59 C ATOM 2134 CD2 LEU D 89 27.689 8.939 18.217 1.00 23.52 C ATOM 2135 H LEU D 89 27.008 12.804 18.227 1.00 0.00 H ATOM 2136 N SER D 90 28.212 11.255 22.201 1.00 18.95 N ATOM 2137 CA SER D 90 28.856 11.631 23.444 1.00 21.49 C ATOM 2138 C SER D 90 30.373 11.810 23.207 1.00 19.77 C ATOM 2139 O SER D 90 30.893 11.484 22.133 1.00 21.54 O ATOM 2140 CB SER D 90 28.637 10.556 24.497 1.00 22.64 C ATOM 2141 OG SER D 90 29.438 9.382 24.253 1.00 23.55 O ATOM 2142 HG SER D 90 30.396 9.630 24.261 1.00 0.00 H ATOM 2143 H SER D 90 27.916 10.266 22.073 1.00 0.00 H ATOM 2144 N SER D 91 31.073 12.326 24.195 1.00 20.30 N ATOM 2145 CA SER D 91 32.538 12.303 24.144 1.00 19.29 C ATOM 2146 C SER D 91 32.992 10.869 24.109 1.00 22.03 C ATOM 2147 O SER D 91 32.270 9.966 24.573 1.00 21.05 O ATOM 2148 CB SER D 91 33.127 13.028 25.345 1.00 22.79 C ATOM 2149 OG SER D 91 32.858 12.327 26.556 1.00 24.24 O ATOM 2150 HG SER D 91 31.879 12.252 26.682 1.00 0.00 H ATOM 2151 H SER D 91 30.587 12.750 25.011 1.00 0.00 H ATOM 2152 N PRO D 92 34.207 10.623 23.597 1.00 21.10 N ATOM 2153 CA PRO D 92 34.691 9.210 23.542 1.00 21.90 C ATOM 2154 C PRO D 92 34.904 8.648 24.924 1.00 20.11 C ATOM 2155 O PRO D 92 34.681 7.451 25.128 1.00 18.42 O ATOM 2156 CB PRO D 92 36.040 9.301 22.805 1.00 22.00 C ATOM 2157 CG PRO D 92 36.217 10.722 22.423 1.00 24.45 C ATOM 2158 CD PRO D 92 35.040 11.567 22.819 1.00 22.50 C ATOM 2159 N GLU D 93 35.313 9.514 25.877 1.00 21.91 N ATOM 2160 CA GLU D 93 35.513 9.134 27.288 1.00 21.93 C ATOM 2161 C GLU D 93 34.227 8.588 27.890 1.00 20.16 C ATOM 2162 O GLU D 93 34.265 7.482 28.484 1.00 20.64 O ATOM 2163 CB GLU D 93 36.016 10.289 28.102 1.00 19.93 C ATOM 2164 CG GLU D 93 37.436 10.637 27.750 1.00 20.78 C ATOM 2165 CD GLU D 93 37.544 11.536 26.521 1.00 24.45 C ATOM 2166 OE1 GLU D 93 36.532 12.021 25.945 1.00 22.63 O ATOM 2167 OE2 GLU D 93 38.696 11.673 26.090 1.00 26.31 O ATOM 2168 H GLU D 93 35.496 10.500 25.601 1.00 0.00 H ATOM 2169 N THR D 94 33.122 9.317 27.703 1.00 20.90 N ATOM 2170 CA THR D 94 31.786 8.846 28.147 1.00 19.83 C ATOM 2171 C THR D 94 31.311 7.586 27.453 1.00 19.74 C ATOM 2172 O THR D 94 30.873 6.630 28.092 1.00 22.18 O ATOM 2173 CB THR D 94 30.750 9.976 28.060 1.00 21.92 C ATOM 2174 OG1 THR D 94 31.092 10.979 29.028 1.00 24.91 O ATOM 2175 CG2 THR D 94 29.269 9.486 28.325 1.00 22.19 C ATOM 2176 HG1 THR D 94 30.433 11.716 28.985 1.00 0.00 H ATOM 2177 H THR D 94 33.201 10.241 27.233 1.00 0.00 H ATOM 2178 N ALA D 95 31.524 7.523 26.153 1.00 17.96 N ATOM 2179 CA ALA D 95 31.200 6.356 25.410 1.00 19.06 C ATOM 2180 C ALA D 95 31.894 5.118 25.967 1.00 21.85 C ATOM 2181 O ALA D 95 31.225 4.110 26.213 1.00 21.29 O ATOM 2182 CB ALA D 95 31.533 6.610 23.932 1.00 19.77 C ATOM 2183 H ALA D 95 31.937 8.342 25.663 1.00 0.00 H ATOM 2184 N VAL D 96 33.207 5.176 26.216 1.00 21.27 N ATOM 2185 CA VAL D 96 33.899 3.984 26.693 1.00 23.83 C ATOM 2186 C VAL D 96 33.428 3.649 28.100 1.00 23.66 C ATOM 2187 O VAL D 96 33.236 2.469 28.429 1.00 24.08 O ATOM 2188 CB VAL D 96 35.432 4.157 26.594 1.00 24.60 C ATOM 2189 CG1 VAL D 96 36.147 3.031 27.329 1.00 25.39 C ATOM 2190 CG2 VAL D 96 35.863 4.229 25.115 1.00 25.82 C ATOM 2191 H VAL D 96 33.730 6.063 26.071 1.00 0.00 H ATOM 2192 N LYS D 97 33.197 4.677 28.918 1.00 22.04 N ATOM 2193 CA LYS D 97 32.770 4.477 30.331 1.00 21.31 C ATOM 2194 C LYS D 97 31.480 3.653 30.327 1.00 22.22 C ATOM 2195 O LYS D 97 31.369 2.638 31.073 1.00 23.91 O ATOM 2196 CB LYS D 97 32.559 5.818 30.965 1.00 22.79 C ATOM 2197 CG LYS D 97 32.130 5.720 32.420 1.00 22.83 C ATOM 2198 CD LYS D 97 31.921 7.099 33.025 1.00 22.82 C ATOM 2199 CE LYS D 97 31.518 7.004 34.488 1.00 22.83 C ATOM 2200 NZ LYS D 97 32.561 6.326 35.306 1.00 22.83 N ATOM 2201 HZ1 LYS D 97 32.711 5.362 34.945 1.00 0.00 H ATOM 2202 HZ2 LYS D 97 33.450 6.862 35.246 1.00 0.00 H ATOM 2203 HZ3 LYS D 97 32.248 6.281 36.297 1.00 0.00 H ATOM 2204 H LYS D 97 33.318 5.646 28.559 1.00 0.00 H ATOM 2205 N VAL D 98 30.541 4.065 29.475 1.00 21.23 N ATOM 2206 CA VAL D 98 29.212 3.446 29.384 1.00 21.01 C ATOM 2207 C VAL D 98 29.329 2.027 28.801 1.00 22.00 C ATOM 2208 O VAL D 98 28.751 1.049 29.336 1.00 19.85 O ATOM 2209 CB VAL D 98 28.208 4.286 28.579 1.00 20.77 C ATOM 2210 CG1 VAL D 98 26.988 3.447 28.257 1.00 23.82 C ATOM 2211 CG2 VAL D 98 27.794 5.575 29.331 1.00 22.64 C ATOM 2212 H VAL D 98 30.760 4.863 28.845 1.00 0.00 H ATOM 2213 N LEU D 99 30.094 1.886 27.718 1.00 18.67 N ATOM 2214 CA LEU D 99 30.240 0.552 27.119 1.00 21.26 C ATOM 2215 C LEU D 99 30.889 -0.431 28.102 1.00 21.28 C ATOM 2216 O LEU D 99 30.419 -1.586 28.246 1.00 22.93 O ATOM 2217 CB LEU D 99 31.092 0.640 25.852 1.00 21.60 C ATOM 2218 CG LEU D 99 30.473 1.504 24.773 1.00 25.15 C ATOM 2219 CD1 LEU D 99 31.552 1.967 23.781 1.00 24.45 C ATOM 2220 CD2 LEU D 99 29.372 0.748 24.082 1.00 26.88 C ATOM 2221 H LEU D 99 30.580 2.707 27.304 1.00 0.00 H ATOM 2222 N LYS D 100 31.933 0.020 28.813 1.00 20.97 N ATOM 2223 CA LYS D 100 32.567 -0.832 29.854 1.00 23.72 C ATOM 2224 C LYS D 100 31.582 -1.205 30.959 1.00 23.35 C ATOM 2225 O LYS D 100 31.587 -2.348 31.454 1.00 23.14 O ATOM 2226 CB LYS D 100 33.859 -0.196 30.422 1.00 21.78 C ATOM 2227 CG LYS D 100 34.924 -0.120 29.337 1.00 23.74 C ATOM 2228 CD LYS D 100 36.257 0.248 29.961 1.00 28.02 C ATOM 2229 CE LYS D 100 37.373 0.223 28.935 1.00 28.10 C ATOM 2230 NZ LYS D 100 38.489 1.043 29.486 1.00 35.34 N ATOM 2231 HZ1 LYS D 100 38.157 2.016 29.645 1.00 0.00 H ATOM 2232 HZ2 LYS D 100 38.808 0.632 30.387 1.00 0.00 H ATOM 2233 HZ3 LYS D 100 39.278 1.051 28.809 1.00 0.00 H ATOM 2234 H LYS D 100 32.303 0.975 28.634 1.00 0.00 H ATOM 2235 N ASP D 101 30.698 -0.259 31.288 1.00 22.81 N ATOM 2236 CA ASP D 101 29.756 -0.459 32.400 1.00 24.52 C ATOM 2237 C ASP D 101 28.727 -1.488 31.958 1.00 24.60 C ATOM 2238 O ASP D 101 28.440 -2.438 32.697 1.00 24.45 O ATOM 2239 CB ASP D 101 29.172 0.867 32.871 1.00 28.62 C ATOM 2240 CG ASP D 101 28.515 0.765 34.242 1.00 33.66 C ATOM 2241 OD1 ASP D 101 28.823 -0.163 35.019 1.00 35.05 O ATOM 2242 OD2 ASP D 101 27.638 1.599 34.526 1.00 36.25 O ATOM 2243 H ASP D 101 30.675 0.631 30.751 1.00 0.00 H ATOM 2244 N ILE D 102 28.228 -1.329 30.725 1.00 22.45 N ATOM 2245 CA ILE D 102 27.309 -2.333 30.107 1.00 21.72 C ATOM 2246 C ILE D 102 27.896 -3.755 30.200 1.00 21.76 C ATOM 2247 O ILE D 102 27.258 -4.678 30.774 1.00 22.39 O ATOM 2248 CB ILE D 102 26.967 -1.947 28.678 1.00 20.47 C ATOM 2249 CG1 ILE D 102 26.176 -0.639 28.720 1.00 19.21 C ATOM 2250 CG2 ILE D 102 26.266 -3.121 27.990 1.00 18.21 C ATOM 2251 CD1 ILE D 102 25.994 -0.046 27.341 1.00 20.22 C ATOM 2252 H ILE D 102 28.488 -0.481 30.181 1.00 0.00 H ATOM 2253 N GLU D 103 29.126 -3.918 29.723 1.00 23.20 N ATOM 2254 CA GLU D 103 29.799 -5.221 29.828 1.00 22.37 C ATOM 2255 C GLU D 103 29.864 -5.782 31.285 1.00 22.10 C ATOM 2256 O GLU D 103 29.438 -6.922 31.523 1.00 22.80 O ATOM 2257 CB GLU D 103 31.201 -5.112 29.229 1.00 23.62 C ATOM 2258 CG GLU D 103 32.061 -6.362 29.424 1.00 24.86 C ATOM 2259 CD GLU D 103 33.470 -6.223 28.855 1.00 28.94 C ATOM 2260 OE1 GLU D 103 34.055 -5.127 28.832 1.00 29.70 O ATOM 2261 OE2 GLU D 103 34.012 -7.231 28.416 1.00 33.33 O ATOM 2262 H GLU D 103 29.616 -3.119 29.273 1.00 0.00 H ATOM 2263 N SER D 104 30.340 -4.974 32.243 1.00 20.13 N ATOM 2264 CA SER D 104 30.513 -5.418 33.633 1.00 22.25 C ATOM 2265 C SER D 104 29.179 -5.780 34.248 1.00 21.06 C ATOM 2266 O SER D 104 29.081 -6.793 34.933 1.00 24.52 O ATOM 2267 CB SER D 104 31.291 -4.395 34.504 1.00 28.19 C ATOM 2268 OG SER D 104 31.058 -3.054 34.069 1.00 39.56 O ATOM 2269 HG SER D 104 31.355 -2.957 33.130 1.00 0.00 H ATOM 2270 H SER D 104 30.596 -3.997 31.993 1.00 0.00 H ATOM 2271 N ILE D 105 28.155 -4.981 33.994 1.00 22.06 N ATOM 2272 CA ILE D 105 26.809 -5.309 34.485 1.00 21.36 C ATOM 2273 C ILE D 105 26.299 -6.608 33.882 1.00 20.23 C ATOM 2274 O ILE D 105 25.783 -7.489 34.588 1.00 19.42 O ATOM 2275 CB ILE D 105 25.813 -4.190 34.211 1.00 22.79 C ATOM 2276 CG1 ILE D 105 26.175 -2.936 34.997 1.00 23.52 C ATOM 2277 CG2 ILE D 105 24.414 -4.657 34.613 1.00 21.26 C ATOM 2278 CD1 ILE D 105 25.387 -1.716 34.608 1.00 22.04 C ATOM 2279 H ILE D 105 28.304 -4.113 33.442 1.00 0.00 H ATOM 2280 N LEU D 106 26.420 -6.756 32.562 1.00 18.57 N ATOM 2281 CA LEU D 106 25.993 -8.030 31.973 1.00 20.88 C ATOM 2282 C LEU D 106 26.741 -9.218 32.553 1.00 22.17 C ATOM 2283 O LEU D 106 26.152 -10.279 32.795 1.00 21.78 O ATOM 2284 CB LEU D 106 26.108 -7.989 30.432 1.00 18.91 C ATOM 2285 CG LEU D 106 25.171 -7.046 29.662 1.00 21.75 C ATOM 2286 CD1 LEU D 106 25.646 -6.809 28.194 1.00 17.10 C ATOM 2287 CD2 LEU D 106 23.764 -7.617 29.688 1.00 21.62 C ATOM 2288 H LEU D 106 26.805 -5.993 31.969 1.00 0.00 H ATOM 2289 N LYS D 107 28.045 -9.047 32.780 1.00 21.72 N ATOM 2290 CA LYS D 107 28.902 -10.095 33.323 1.00 24.47 C ATOM 2291 C LYS D 107 28.371 -10.466 34.725 1.00 24.13 C ATOM 2292 O LYS D 107 28.260 -11.657 35.043 1.00 24.64 O ATOM 2293 CB LYS D 107 30.335 -9.571 33.389 1.00 25.45 C ATOM 2294 CG LYS D 107 31.415 -10.440 32.802 1.00 33.34 C ATOM 2295 CD LYS D 107 31.216 -10.682 31.325 1.00 34.72 C ATOM 2296 CE LYS D 107 32.351 -11.572 30.808 1.00 36.87 C ATOM 2297 NZ LYS D 107 31.897 -12.618 29.835 1.00 33.84 N ATOM 2298 HZ1 LYS D 107 31.200 -13.238 30.295 1.00 0.00 H ATOM 2299 HZ2 LYS D 107 31.462 -12.157 29.010 1.00 0.00 H ATOM 2300 HZ3 LYS D 107 32.715 -13.182 29.528 1.00 0.00 H ATOM 2301 H LYS D 107 28.470 -8.124 32.559 1.00 0.00 H ATOM 2302 N GLU D 108 27.934 -9.485 35.511 1.00 24.95 N ATOM 2303 CA GLU D 108 27.429 -9.775 36.864 1.00 28.90 C ATOM 2304 C GLU D 108 26.148 -10.553 36.831 1.00 27.61 C ATOM 2305 O GLU D 108 25.877 -11.292 37.778 1.00 28.03 O ATOM 2306 CB GLU D 108 27.175 -8.517 37.670 1.00 29.81 C ATOM 2307 CG GLU D 108 28.460 -7.812 38.036 1.00 36.17 C ATOM 2308 CD GLU D 108 28.222 -6.470 38.673 1.00 41.31 C ATOM 2309 OE1 GLU D 108 27.045 -6.018 38.758 1.00 43.65 O ATOM 2310 OE2 GLU D 108 29.245 -5.882 39.083 1.00 45.91 O ATOM 2311 H GLU D 108 27.949 -8.504 35.167 1.00 0.00 H ATOM 2312 N ARG D 109 25.354 -10.333 35.773 1.00 28.09 N ATOM 2313 CA ARG D 109 24.067 -11.010 35.562 1.00 25.70 C ATOM 2314 C ARG D 109 24.140 -12.342 34.838 1.00 24.24 C ATOM 2315 O ARG D 109 23.130 -12.882 34.469 1.00 27.14 O ATOM 2316 CB ARG D 109 23.061 -10.081 34.886 1.00 28.74 C ATOM 2317 CG ARG D 109 22.651 -9.005 35.845 1.00 29.39 C ATOM 2318 CD ARG D 109 21.788 -7.975 35.156 1.00 33.15 C ATOM 2319 NE ARG D 109 21.843 -6.722 35.902 1.00 33.44 N ATOM 2320 CZ ARG D 109 20.925 -5.775 35.828 1.00 33.57 C ATOM 2321 NH1 ARG D 109 19.870 -5.948 35.070 1.00 34.03 N ATOM 2322 NH2 ARG D 109 21.050 -4.656 36.533 1.00 33.61 N ATOM 2323 HE ARG D 109 22.656 -6.565 36.531 1.00 0.00 H ATOM 2324 HH12 ARG D 109 19.145 -5.204 35.010 1.00 0.00 H ATOM 2325 HH11 ARG D 109 19.757 -6.829 34.529 1.00 0.00 H ATOM 2326 HH22 ARG D 109 20.322 -3.916 36.468 1.00 0.00 H ATOM 2327 HH21 ARG D 109 21.876 -4.520 37.150 1.00 0.00 H ATOM 2328 H ARG D 109 25.667 -9.643 35.060 1.00 0.00 H ATOM 2329 N GLY D 110 25.344 -12.855 34.603 1.00 26.10 N ATOM 2330 CA GLY D 110 25.495 -14.202 34.101 1.00 24.68 C ATOM 2331 C GLY D 110 25.651 -14.328 32.600 1.00 26.15 C ATOM 2332 O GLY D 110 25.794 -15.454 32.085 1.00 25.65 O ATOM 2333 H GLY D 110 26.190 -12.278 34.783 1.00 0.00 H ATOM 2334 N TYR D 111 25.646 -13.188 31.891 1.00 20.77 N ATOM 2335 CA TYR D 111 25.837 -13.210 30.437 1.00 21.09 C ATOM 2336 C TYR D 111 27.331 -13.373 30.109 1.00 20.41 C ATOM 2337 O TYR D 111 28.201 -12.966 30.898 1.00 22.25 O ATOM 2338 CB TYR D 111 25.275 -11.915 29.808 1.00 19.09 C ATOM 2339 CG TYR D 111 23.783 -11.821 29.972 1.00 21.89 C ATOM 2340 CD1 TYR D 111 22.926 -12.386 29.034 1.00 22.99 C ATOM 2341 CD2 TYR D 111 23.231 -11.241 31.124 1.00 22.96 C ATOM 2342 CE1 TYR D 111 21.530 -12.348 29.191 1.00 25.75 C ATOM 2343 CE2 TYR D 111 21.851 -11.185 31.277 1.00 26.79 C ATOM 2344 CZ TYR D 111 21.020 -11.750 30.321 1.00 27.91 C ATOM 2345 OH TYR D 111 19.650 -11.674 30.535 1.00 32.11 O ATOM 2346 HH TYR D 111 19.424 -12.133 31.383 1.00 0.00 H ATOM 2347 H TYR D 111 25.505 -12.280 32.378 1.00 0.00 H ATOM 2348 N ASN D 112 27.622 -13.998 28.971 1.00 21.69 N ATOM 2349 CA ASN D 112 28.979 -13.980 28.406 1.00 23.07 C ATOM 2350 C ASN D 112 29.029 -12.848 27.422 1.00 21.00 C ATOM 2351 O ASN D 112 28.142 -12.720 26.604 1.00 21.25 O ATOM 2352 CB ASN D 112 29.260 -15.306 27.738 1.00 25.70 C ATOM 2353 CG ASN D 112 29.252 -16.420 28.770 1.00 34.56 C ATOM 2354 OD1 ASN D 112 30.183 -16.526 29.591 1.00 39.38 O ATOM 2355 ND2 ASN D 112 28.166 -17.202 28.800 1.00 35.36 N ATOM 2356 HD22 ASN D 112 27.414 -17.075 28.092 1.00 0.00 H ATOM 2357 HD21 ASN D 112 28.074 -17.936 29.531 1.00 0.00 H ATOM 2358 H ASN D 112 26.870 -14.512 28.469 1.00 0.00 H ATOM 2359 N VAL D 113 30.029 -12.000 27.562 1.00 20.98 N ATOM 2360 CA VAL D 113 30.114 -10.815 26.716 1.00 21.09 C ATOM 2361 C VAL D 113 31.436 -10.756 25.967 1.00 21.66 C ATOM 2362 O VAL D 113 32.525 -11.116 26.505 1.00 21.87 O ATOM 2363 CB VAL D 113 29.977 -9.578 27.619 1.00 21.43 C ATOM 2364 CG1 VAL D 113 30.070 -8.282 26.813 1.00 21.45 C ATOM 2365 CG2 VAL D 113 28.688 -9.675 28.415 1.00 23.86 C ATOM 2366 H VAL D 113 30.761 -12.177 28.279 1.00 0.00 H ATOM 2367 N LEU D 114 31.353 -10.345 24.696 1.00 17.41 N ATOM 2368 CA LEU D 114 32.527 -10.036 23.918 1.00 19.12 C ATOM 2369 C LEU D 114 32.391 -8.539 23.640 1.00 18.82 C ATOM 2370 O LEU D 114 31.341 -8.106 23.147 1.00 20.27 O ATOM 2371 CB LEU D 114 32.461 -10.800 22.586 1.00 17.69 C ATOM 2372 CG LEU D 114 33.473 -10.408 21.482 1.00 18.87 C ATOM 2373 CD1 LEU D 114 34.821 -10.633 22.107 1.00 21.55 C ATOM 2374 CD2 LEU D 114 33.340 -11.243 20.199 1.00 19.91 C ATOM 2375 H LEU D 114 30.415 -10.246 24.257 1.00 0.00 H ATOM 2376 N ARG D 115 33.410 -7.757 23.974 1.00 21.33 N ATOM 2377 CA ARG D 115 33.333 -6.295 23.705 1.00 19.43 C ATOM 2378 C ARG D 115 34.325 -5.938 22.636 1.00 22.01 C ATOM 2379 O ARG D 115 35.532 -6.072 22.880 1.00 25.02 O ATOM 2380 CB ARG D 115 33.606 -5.469 24.970 1.00 24.35 C ATOM 2381 CG ARG D 115 33.438 -3.950 24.746 1.00 25.33 C ATOM 2382 CD ARG D 115 33.480 -3.145 26.046 1.00 29.24 C ATOM 2383 NE ARG D 115 34.636 -3.442 26.890 1.00 33.09 N ATOM 2384 CZ ARG D 115 35.826 -2.837 26.805 1.00 38.09 C ATOM 2385 NH1 ARG D 115 36.046 -1.905 25.898 1.00 37.55 N ATOM 2386 NH2 ARG D 115 36.803 -3.170 27.643 1.00 35.76 N ATOM 2387 HE ARG D 115 34.525 -4.181 27.613 1.00 0.00 H ATOM 2388 HH12 ARG D 115 36.976 -1.442 25.843 1.00 0.00 H ATOM 2389 HH11 ARG D 115 35.290 -1.633 25.238 1.00 0.00 H ATOM 2390 HH22 ARG D 115 37.728 -2.699 27.577 1.00 0.00 H ATOM 2391 HH21 ARG D 115 36.642 -3.901 28.365 1.00 0.00 H ATOM 2392 H ARG D 115 34.257 -8.163 24.421 1.00 0.00 H ATOM 2393 N ALA D 116 33.834 -5.418 21.512 1.00 18.46 N ATOM 2394 CA ALA D 116 34.676 -5.023 20.376 1.00 23.77 C ATOM 2395 C ALA D 116 35.406 -3.725 20.696 1.00 25.59 C ATOM 2396 O ALA D 116 34.904 -2.903 21.482 1.00 23.99 O ATOM 2397 CB ALA D 116 33.831 -4.912 19.119 1.00 21.96 C ATOM 2398 H ALA D 116 32.805 -5.286 21.436 1.00 0.00 H ATOM 2399 N PRO D 117 36.655 -3.578 20.183 1.00 25.97 N ATOM 2400 CA PRO D 117 37.490 -2.440 20.547 1.00 25.80 C ATOM 2401 C PRO D 117 36.984 -1.094 20.001 1.00 23.70 C ATOM 2402 O PRO D 117 36.572 -0.976 18.825 1.00 25.98 O ATOM 2403 CB PRO D 117 38.883 -2.807 19.970 1.00 26.15 C ATOM 2404 CG PRO D 117 38.660 -3.921 19.026 1.00 28.20 C ATOM 2405 CD PRO D 117 37.424 -4.633 19.492 1.00 26.24 C ATOM 2406 N PHE D 118 36.978 -0.093 20.878 1.00 23.22 N ATOM 2407 CA PHE D 118 36.450 1.220 20.563 1.00 20.59 C ATOM 2408 C PHE D 118 37.516 2.025 19.830 1.00 18.92 C ATOM 2409 O PHE D 118 38.694 2.015 20.224 1.00 19.24 O ATOM 2410 CB PHE D 118 36.187 1.880 21.900 1.00 25.76 C ATOM 2411 CG PHE D 118 35.641 3.246 21.815 1.00 22.97 C ATOM 2412 CD1 PHE D 118 34.266 3.455 21.942 1.00 24.83 C ATOM 2413 CD2 PHE D 118 36.491 4.330 21.714 1.00 24.42 C ATOM 2414 CE1 PHE D 118 33.767 4.741 21.898 1.00 22.40 C ATOM 2415 CE2 PHE D 118 35.989 5.624 21.693 1.00 22.55 C ATOM 2416 CZ PHE D 118 34.620 5.829 21.774 1.00 23.39 C ATOM 2417 H PHE D 118 37.368 -0.259 21.828 1.00 0.00 H ATOM 2418 N GLY D 119 37.099 2.703 18.791 1.00 20.15 N ATOM 2419 CA GLY D 119 37.984 3.597 18.034 1.00 21.72 C ATOM 2420 C GLY D 119 38.969 2.888 17.154 1.00 22.20 C ATOM 2421 O GLY D 119 40.007 3.468 16.848 1.00 23.91 O ATOM 2422 H GLY D 119 36.108 2.605 18.492 1.00 0.00 H ATOM 2423 N TRP D 120 38.712 1.634 16.795 1.00 21.50 N ATOM 2424 CA TRP D 120 39.533 0.944 15.778 1.00 23.14 C ATOM 2425 C TRP D 120 38.689 0.741 14.560 1.00 23.38 C ATOM 2426 O TRP D 120 37.465 0.483 14.656 1.00 25.26 O ATOM 2427 CB TRP D 120 39.955 -0.454 16.284 1.00 21.00 C ATOM 2428 CG TRP D 120 40.974 -0.411 17.356 1.00 22.05 C ATOM 2429 CD1 TRP D 120 40.803 -0.070 18.706 1.00 20.45 C ATOM 2430 CD2 TRP D 120 42.384 -0.767 17.220 1.00 23.24 C ATOM 2431 NE1 TRP D 120 41.987 -0.193 19.369 1.00 23.30 N ATOM 2432 CE2 TRP D 120 42.976 -0.595 18.541 1.00 24.83 C ATOM 2433 CE3 TRP D 120 43.187 -1.163 16.154 1.00 23.32 C ATOM 2434 CZ2 TRP D 120 44.330 -0.800 18.774 1.00 25.01 C ATOM 2435 CZ3 TRP D 120 44.556 -1.356 16.389 1.00 25.07 C ATOM 2436 CH2 TRP D 120 45.093 -1.215 17.695 1.00 24.26 C ATOM 2437 HE1 TRP D 120 42.113 -0.002 20.383 1.00 0.00 H ATOM 2438 H TRP D 120 37.918 1.129 17.238 1.00 0.00 H ATOM 2439 N TYR D 121 39.295 0.845 13.393 1.00 24.62 N ATOM 2440 CA TYR D 121 38.686 0.341 12.233 1.00 22.20 C ATOM 2441 C TYR D 121 38.704 -1.178 12.285 1.00 22.14 C ATOM 2442 O TYR D 121 39.731 -1.761 12.464 1.00 25.99 O ATOM 2443 CB TYR D 121 39.420 0.853 10.985 1.00 25.25 C ATOM 2444 CG TYR D 121 39.231 2.339 10.800 1.00 27.51 C ATOM 2445 CD1 TYR D 121 37.957 2.851 10.468 1.00 26.59 C ATOM 2446 CD2 TYR D 121 40.292 3.224 10.941 1.00 30.04 C ATOM 2447 CE1 TYR D 121 37.774 4.209 10.296 1.00 29.42 C ATOM 2448 CE2 TYR D 121 40.108 4.590 10.769 1.00 30.08 C ATOM 2449 CZ TYR D 121 38.844 5.058 10.429 1.00 31.67 C ATOM 2450 OH TYR D 121 38.610 6.406 10.272 1.00 34.22 O ATOM 2451 HH TYR D 121 38.812 6.876 11.120 1.00 0.00 H ATOM 2452 H TYR D 121 40.227 1.302 13.332 1.00 0.00 H ATOM 2453 N LYS D 122 37.542 -1.804 12.093 1.00 20.55 N ATOM 2454 CA LYS D 122 37.424 -3.263 12.150 1.00 20.43 C ATOM 2455 C LYS D 122 36.777 -3.850 10.909 1.00 20.07 C ATOM 2456 O LYS D 122 35.768 -3.325 10.452 1.00 23.33 O ATOM 2457 CB LYS D 122 36.569 -3.683 13.341 1.00 23.05 C ATOM 2458 CG LYS D 122 37.181 -3.247 14.654 1.00 21.26 C ATOM 2459 CD LYS D 122 36.267 -3.438 15.852 1.00 24.53 C ATOM 2460 CE LYS D 122 35.110 -2.448 15.843 1.00 27.83 C ATOM 2461 NZ LYS D 122 35.615 -1.097 16.226 1.00 33.03 N ATOM 2462 HZ1 LYS D 122 36.030 -1.141 17.179 1.00 0.00 H ATOM 2463 HZ2 LYS D 122 36.340 -0.793 15.545 1.00 0.00 H ATOM 2464 HZ3 LYS D 122 34.826 -0.419 16.221 1.00 0.00 H ATOM 2465 H LYS D 122 36.692 -1.238 11.896 1.00 0.00 H ATOM 2466 N ALA D 123 37.328 -4.962 10.412 1.00 18.86 N ATOM 2467 CA ALA D 123 36.609 -5.822 9.494 1.00 20.28 C ATOM 2468 C ALA D 123 35.655 -6.578 10.373 1.00 21.26 C ATOM 2469 O ALA D 123 35.951 -6.758 11.558 1.00 21.15 O ATOM 2470 CB ALA D 123 37.553 -6.788 8.805 1.00 21.67 C ATOM 2471 H ALA D 123 38.297 -5.216 10.691 1.00 0.00 H ATOM 2472 N PHE D 124 34.478 -6.922 9.858 1.00 22.29 N ATOM 2473 CA PHE D 124 33.603 -7.764 10.639 1.00 21.65 C ATOM 2474 C PHE D 124 32.710 -8.623 9.752 1.00 18.94 C ATOM 2475 O PHE D 124 32.508 -8.375 8.531 1.00 20.64 O ATOM 2476 CB PHE D 124 32.777 -6.950 11.683 1.00 23.61 C ATOM 2477 CG PHE D 124 31.605 -6.187 11.103 1.00 25.19 C ATOM 2478 CD1 PHE D 124 31.760 -4.871 10.719 1.00 25.92 C ATOM 2479 CD2 PHE D 124 30.325 -6.771 10.997 1.00 26.35 C ATOM 2480 CE1 PHE D 124 30.693 -4.144 10.157 1.00 25.46 C ATOM 2481 CE2 PHE D 124 29.258 -6.070 10.454 1.00 28.57 C ATOM 2482 CZ PHE D 124 29.427 -4.747 10.017 1.00 27.73 C ATOM 2483 H PHE D 124 34.194 -6.592 8.914 1.00 0.00 H ATOM 2484 N LYS D 125 32.156 -9.665 10.363 1.00 18.09 N ATOM 2485 CA LYS D 125 31.272 -10.567 9.653 1.00 18.55 C ATOM 2486 C LYS D 125 30.123 -10.842 10.588 1.00 20.48 C ATOM 2487 O LYS D 125 30.343 -10.975 11.770 1.00 21.28 O ATOM 2488 CB LYS D 125 31.976 -11.874 9.306 1.00 21.58 C ATOM 2489 CG LYS D 125 33.225 -11.711 8.449 1.00 23.51 C ATOM 2490 CD LYS D 125 33.677 -13.121 8.037 1.00 27.80 C ATOM 2491 CE LYS D 125 34.981 -13.082 7.256 1.00 31.65 C ATOM 2492 NZ LYS D 125 35.463 -14.481 7.159 1.00 33.99 N ATOM 2493 HZ1 LYS D 125 35.615 -14.861 8.115 1.00 0.00 H ATOM 2494 HZ2 LYS D 125 34.753 -15.058 6.665 1.00 0.00 H ATOM 2495 HZ3 LYS D 125 36.358 -14.502 6.630 1.00 0.00 H ATOM 2496 H LYS D 125 32.361 -9.836 11.368 1.00 0.00 H ATOM 2497 N ILE D 126 28.904 -10.859 10.057 1.00 19.60 N ATOM 2498 CA ILE D 126 27.713 -11.116 10.902 1.00 19.89 C ATOM 2499 C ILE D 126 26.744 -11.980 10.091 1.00 17.60 C ATOM 2500 O ILE D 126 26.656 -11.862 8.836 1.00 19.13 O ATOM 2501 CB ILE D 126 27.058 -9.832 11.440 1.00 19.90 C ATOM 2502 CG1 ILE D 126 25.930 -10.141 12.431 1.00 20.91 C ATOM 2503 CG2 ILE D 126 26.413 -9.050 10.312 1.00 21.05 C ATOM 2504 CD1 ILE D 126 25.618 -8.954 13.375 1.00 20.57 C ATOM 2505 H ILE D 126 28.785 -10.690 9.038 1.00 0.00 H ATOM 2506 N SER D 127 26.046 -12.895 10.752 1.00 17.68 N ATOM 2507 CA SER D 127 24.963 -13.627 10.078 1.00 20.71 C ATOM 2508 C SER D 127 23.735 -13.440 10.946 1.00 19.44 C ATOM 2509 O SER D 127 23.710 -13.972 12.093 1.00 22.49 O ATOM 2510 CB SER D 127 25.311 -15.129 9.908 1.00 21.18 C ATOM 2511 OG SER D 127 24.183 -15.912 9.562 1.00 22.81 O ATOM 2512 HG SER D 127 23.499 -15.836 10.274 1.00 0.00 H ATOM 2513 H SER D 127 26.265 -13.095 11.749 1.00 0.00 H ATOM 2514 N CYS D 128 22.764 -12.678 10.429 1.00 20.22 N ATOM 2515 CA CYS D 128 21.512 -12.336 11.180 1.00 19.71 C ATOM 2516 C CYS D 128 20.441 -13.393 10.901 1.00 19.84 C ATOM 2517 O CYS D 128 20.208 -13.737 9.773 1.00 19.48 O ATOM 2518 CB CYS D 128 20.995 -10.948 10.768 1.00 22.19 C ATOM 2519 SG CYS D 128 19.251 -10.679 11.209 1.00 23.82 S ATOM 2520 H CYS D 128 22.883 -12.307 9.465 1.00 0.00 H ATOM 2521 N LYS D 129 19.832 -13.964 11.943 1.00 19.13 N ATOM 2522 CA LYS D 129 18.915 -15.097 11.746 1.00 21.12 C ATOM 2523 C LYS D 129 17.603 -14.793 10.941 1.00 21.44 C ATOM 2524 O LYS D 129 17.032 -15.705 10.348 1.00 23.21 O ATOM 2525 CB LYS D 129 18.580 -15.766 13.089 1.00 21.08 C ATOM 2526 CG LYS D 129 19.812 -16.268 13.837 1.00 21.30 C ATOM 2527 CD LYS D 129 19.410 -17.261 14.930 1.00 22.16 C ATOM 2528 CE LYS D 129 20.624 -17.673 15.739 1.00 23.84 C ATOM 2529 NZ LYS D 129 21.303 -18.735 14.964 1.00 31.23 N ATOM 2530 HZ1 LYS D 129 20.653 -19.536 14.833 1.00 0.00 H ATOM 2531 HZ2 LYS D 129 21.584 -18.359 14.036 1.00 0.00 H ATOM 2532 HZ3 LYS D 129 22.148 -19.053 15.481 1.00 0.00 H ATOM 2533 H LYS D 129 20.008 -13.604 12.903 1.00 0.00 H ATOM 2534 N GLY D 130 17.136 -13.540 10.920 1.00 21.97 N ATOM 2535 CA GLY D 130 16.088 -13.154 9.989 1.00 22.60 C ATOM 2536 C GLY D 130 14.623 -13.265 10.432 1.00 24.16 C ATOM 2537 O GLY D 130 13.734 -13.337 9.606 1.00 33.13 O ATOM 2538 H GLY D 130 17.527 -12.834 11.577 1.00 0.00 H ATOM 2539 N HIS D 131 14.361 -13.264 11.719 1.00 21.40 N ATOM 2540 CA HIS D 131 12.965 -13.409 12.198 1.00 21.58 C ATOM 2541 C HIS D 131 12.466 -12.095 12.753 1.00 21.15 C ATOM 2542 O HIS D 131 13.263 -11.123 12.856 1.00 22.47 O ATOM 2543 CB HIS D 131 12.930 -14.548 13.237 1.00 19.40 C ATOM 2544 CG HIS D 131 13.829 -14.296 14.462 1.00 19.82 C ATOM 2545 ND1 HIS D 131 13.493 -13.424 15.434 1.00 19.86 N ATOM 2546 CD2 HIS D 131 15.053 -14.856 14.857 1.00 21.20 C ATOM 2547 CE1 HIS D 131 14.426 -13.394 16.379 1.00 22.05 C ATOM 2548 NE2 HIS D 131 15.404 -14.260 16.033 1.00 22.34 N ATOM 2549 H HIS D 131 15.136 -13.161 12.405 1.00 0.00 H ATOM 2550 N PRO D 132 11.163 -12.010 13.129 1.00 20.56 N ATOM 2551 CA PRO D 132 10.661 -10.682 13.532 1.00 20.24 C ATOM 2552 C PRO D 132 11.340 -9.961 14.694 1.00 20.45 C ATOM 2553 O PRO D 132 11.191 -8.732 14.768 1.00 23.07 O ATOM 2554 CB PRO D 132 9.148 -10.929 13.796 1.00 21.42 C ATOM 2555 CG PRO D 132 8.818 -12.095 12.889 1.00 20.52 C ATOM 2556 CD PRO D 132 10.058 -12.963 12.902 1.00 20.96 C ATOM 2557 N LEU D 133 12.019 -10.696 15.596 1.00 18.64 N ATOM 2558 CA LEU D 133 12.735 -10.073 16.707 1.00 19.42 C ATOM 2559 C LEU D 133 14.255 -10.137 16.442 1.00 18.85 C ATOM 2560 O LEU D 133 15.071 -10.040 17.359 1.00 21.14 O ATOM 2561 CB LEU D 133 12.402 -10.668 18.061 1.00 21.92 C ATOM 2562 CG LEU D 133 12.618 -9.793 19.295 1.00 23.22 C ATOM 2563 CD1 LEU D 133 11.774 -8.512 19.190 1.00 25.67 C ATOM 2564 CD2 LEU D 133 12.350 -10.515 20.640 1.00 21.52 C ATOM 2565 H LEU D 133 12.034 -11.731 15.499 1.00 0.00 H ATOM 2566 N SER D 134 14.627 -10.328 15.178 1.00 17.85 N ATOM 2567 CA SER D 134 16.078 -10.549 14.952 1.00 19.37 C ATOM 2568 C SER D 134 16.855 -9.240 14.796 1.00 19.05 C ATOM 2569 O SER D 134 18.103 -9.235 14.836 1.00 19.15 O ATOM 2570 CB SER D 134 16.334 -11.540 13.812 1.00 18.48 C ATOM 2571 OG SER D 134 16.041 -10.993 12.521 1.00 20.22 O ATOM 2572 HG SER D 134 15.087 -10.730 12.484 1.00 0.00 H ATOM 2573 H SER D 134 13.942 -10.323 14.395 1.00 0.00 H ATOM 2574 N GLU D 135 16.148 -8.125 14.630 1.00 20.29 N ATOM 2575 CA GLU D 135 16.797 -6.811 14.512 1.00 21.14 C ATOM 2576 C GLU D 135 15.850 -5.857 15.230 1.00 22.59 C ATOM 2577 O GLU D 135 14.652 -5.784 14.891 1.00 22.58 O ATOM 2578 CB GLU D 135 16.982 -6.350 13.044 1.00 23.50 C ATOM 2579 CG GLU D 135 17.792 -7.301 12.162 1.00 27.85 C ATOM 2580 CD GLU D 135 17.645 -6.964 10.673 1.00 32.07 C ATOM 2581 OE1 GLU D 135 18.375 -7.515 9.860 1.00 32.45 O ATOM 2582 OE2 GLU D 135 16.814 -6.096 10.317 1.00 44.28 O ATOM 2583 H GLU D 135 15.111 -8.184 14.583 1.00 0.00 H ATOM 2584 N LEU D 136 16.391 -5.170 16.221 1.00 20.66 N ATOM 2585 CA LEU D 136 15.604 -4.252 17.069 1.00 22.79 C ATOM 2586 C LEU D 136 16.371 -2.992 17.283 1.00 23.08 C ATOM 2587 O LEU D 136 17.567 -3.015 17.598 1.00 25.28 O ATOM 2588 CB LEU D 136 15.336 -4.872 18.428 1.00 23.86 C ATOM 2589 CG LEU D 136 14.380 -6.037 18.436 1.00 31.53 C ATOM 2590 CD1 LEU D 136 14.699 -6.807 19.715 1.00 33.48 C ATOM 2591 CD2 LEU D 136 12.932 -5.529 18.375 1.00 36.84 C ATOM 2592 H LEU D 136 17.408 -5.280 16.411 1.00 0.00 H ATOM 2593 N SER D 137 15.693 -1.881 17.126 1.00 22.32 N ATOM 2594 CA SER D 137 16.258 -0.604 17.476 1.00 21.76 C ATOM 2595 C SER D 137 15.712 -0.242 18.827 1.00 24.47 C ATOM 2596 O SER D 137 14.549 -0.531 19.105 1.00 25.57 O ATOM 2597 CB SER D 137 15.947 0.426 16.381 1.00 24.62 C ATOM 2598 OG SER D 137 14.544 0.658 16.285 1.00 33.68 O ATOM 2599 HG SER D 137 14.085 -0.191 16.064 1.00 0.00 H ATOM 2600 H SER D 137 14.728 -1.923 16.741 1.00 0.00 H ATOM 2601 N ARG D 138 16.569 0.309 19.692 1.00 23.52 N ATOM 2602 CA ARG D 138 16.148 0.802 20.989 1.00 23.96 C ATOM 2603 C ARG D 138 16.748 2.174 21.237 1.00 26.72 C ATOM 2604 O ARG D 138 17.936 2.414 20.946 1.00 22.52 O ATOM 2605 CB ARG D 138 16.571 -0.175 22.093 1.00 26.65 C ATOM 2606 CG ARG D 138 15.945 -1.553 21.949 1.00 28.81 C ATOM 2607 CD ARG D 138 14.531 -1.504 22.478 1.00 30.31 C ATOM 2608 NE ARG D 138 13.849 -2.796 22.481 1.00 35.53 N ATOM 2609 CZ ARG D 138 13.088 -3.267 21.493 1.00 36.99 C ATOM 2610 NH1 ARG D 138 12.911 -2.569 20.360 1.00 36.90 N ATOM 2611 NH2 ARG D 138 12.508 -4.458 21.628 1.00 40.76 N ATOM 2612 HE ARG D 138 13.967 -3.397 23.322 1.00 0.00 H ATOM 2613 HH12 ARG D 138 12.313 -2.953 19.600 1.00 0.00 H ATOM 2614 HH11 ARG D 138 13.371 -1.644 20.242 1.00 0.00 H ATOM 2615 HH22 ARG D 138 11.912 -4.836 20.864 1.00 0.00 H ATOM 2616 HH21 ARG D 138 12.651 -5.010 22.497 1.00 0.00 H ATOM 2617 H ARG D 138 17.571 0.387 19.426 1.00 0.00 H ATOM 2618 N LYS D 139 15.946 3.047 21.829 1.00 23.30 N ATOM 2619 CA LYS D 139 16.382 4.361 22.310 1.00 23.25 C ATOM 2620 C LYS D 139 16.338 4.288 23.829 1.00 25.26 C ATOM 2621 O LYS D 139 15.339 3.897 24.390 1.00 25.83 O ATOM 2622 CB LYS D 139 15.460 5.445 21.763 1.00 26.04 C ATOM 2623 CG LYS D 139 15.634 6.830 22.396 1.00 28.56 C ATOM 2624 CD LYS D 139 16.977 7.448 21.995 1.00 33.57 C ATOM 2625 CE LYS D 139 16.982 8.938 22.265 1.00 35.14 C ATOM 2626 NZ LYS D 139 18.146 9.499 21.545 1.00 37.97 N ATOM 2627 HZ1 LYS D 139 19.018 9.056 21.899 1.00 0.00 H ATOM 2628 HZ2 LYS D 139 18.048 9.308 20.527 1.00 0.00 H ATOM 2629 HZ3 LYS D 139 18.188 10.526 21.704 1.00 0.00 H ATOM 2630 H LYS D 139 14.948 2.784 21.960 1.00 0.00 H ATOM 2631 N ILE D 140 17.458 4.595 24.490 1.00 22.25 N ATOM 2632 CA ILE D 140 17.544 4.540 25.937 1.00 29.16 C ATOM 2633 C ILE D 140 17.634 6.017 26.346 1.00 34.79 C ATOM 2634 O ILE D 140 18.486 6.773 25.837 1.00 39.28 O ATOM 2635 CB ILE D 140 18.842 3.898 26.436 1.00 25.69 C ATOM 2636 CG1 ILE D 140 19.148 2.608 25.676 1.00 24.22 C ATOM 2637 CG2 ILE D 140 18.843 3.719 27.968 1.00 24.77 C ATOM 2638 CD1 ILE D 140 18.181 1.453 25.873 1.00 24.07 C ATOM 2639 H ILE D 140 18.297 4.883 23.948 1.00 0.00 H ATOM 2640 N VAL D 141 16.729 6.399 27.226 1.00 36.02 N ATOM 2641 CA VAL D 141 16.795 7.634 28.015 1.00 39.16 C ATOM 2642 C VAL D 141 16.987 7.182 29.504 1.00 39.90 C ATOM 2643 O VAL D 141 16.151 6.461 30.079 1.00 35.61 O ATOM 2644 CB VAL D 141 15.492 8.467 27.791 1.00 38.73 C ATOM 2645 CG1 VAL D 141 15.446 9.723 28.674 1.00 40.04 C ATOM 2646 CG2 VAL D 141 15.266 8.805 26.299 1.00 35.28 C ATOM 2647 H VAL D 141 15.907 5.778 27.371 1.00 0.00 H ATOM 2648 N ALA D 142 18.098 7.568 30.127 1.00 39.74 N ATOM 2649 CA ALA D 142 18.412 7.087 31.500 1.00 36.73 C ATOM 2650 C ALA D 142 17.396 7.502 32.593 1.00 37.56 C ATOM 2651 O ALA D 142 16.890 8.607 32.552 1.00 41.77 O ATOM 2652 CB ALA D 142 19.781 7.581 31.888 1.00 38.12 C ATOM 2653 H ALA D 142 18.756 8.215 29.648 1.00 0.00 H ATOM 2654 N LYS D 143 17.135 6.618 33.563 1.00 40.00 N ATOM 2655 CA LYS D 143 16.378 6.947 34.797 1.00 41.28 C ATOM 2656 C LYS D 143 17.334 7.317 35.934 1.00 43.12 C ATOM 2657 O LYS D 143 18.465 6.773 35.994 1.00 41.66 O ATOM 2658 CB LYS D 143 15.495 5.791 35.222 1.00 37.09 C ATOM 2659 H LYS D 143 17.482 5.645 33.446 1.00 0.00 H TER 2660 LYS D 143 HETATM 2661 MG MG A 1 19.840 -19.238 9.499 1.00 30.31 MG HETATM 2662 O HOH 2 29.115 -13.723 7.062 1.00 27.51 O HETATM 2663 O HOH 3 1.547 3.650 2.032 1.00 27.97 O HETATM 2664 O HOH 4 35.339 -4.262 -4.138 1.00 30.61 O HETATM 2665 O HOH 5 12.067 -14.952 -5.467 1.00 28.03 O HETATM 2666 O HOH 6 33.205 -2.170 12.265 1.00 27.38 O HETATM 2667 O HOH 7 7.731 -14.105 -5.168 1.00 22.45 O HETATM 2668 O HOH 8 14.258 -5.160 4.535 1.00 29.02 O HETATM 2669 O HOH 9 16.737 1.787 -15.184 1.00 25.33 O HETATM 2670 O HOH 10 35.563 -9.149 7.049 1.00 26.93 O HETATM 2671 O HOH 11 22.459 14.579 -8.868 1.00 50.37 O HETATM 2672 O HOH 12 9.192 13.657 10.298 1.00 25.45 O HETATM 2673 O HOH 13 4.208 -3.193 0.035 1.00 21.90 O HETATM 2674 O HOH 14 21.435 -13.005 -6.269 1.00 26.28 O HETATM 2675 O HOH 15 7.844 -5.124 -5.540 1.00 27.17 O HETATM 2676 O HOH 16 6.927 16.414 -5.800 1.00 39.58 O HETATM 2677 O HOH 17 17.016 -6.440 -8.016 1.00 24.67 O HETATM 2678 O HOH 18 21.471 -4.086 -12.476 1.00 26.06 O HETATM 2679 O HOH 19 8.901 16.914 6.558 1.00 27.45 O HETATM 2680 O HOH 20 13.589 -2.024 14.718 1.00 36.78 O HETATM 2681 O HOH 21 13.494 -0.480 -9.602 1.00 24.84 O HETATM 2682 O HOH 22 31.328 10.562 0.252 1.00 32.89 O HETATM 2683 O HOH 23 23.078 -1.000 -15.280 1.00 27.12 O HETATM 2684 O HOH 24 4.721 2.508 -3.845 1.00 29.36 O HETATM 2685 O HOH 25 3.829 -7.995 -4.203 1.00 29.09 O HETATM 2686 O HOH 26 31.960 -4.029 -7.650 1.00 24.01 O HETATM 2687 O HOH 27 23.393 13.799 -1.997 1.00 39.74 O HETATM 2688 O HOH 28 19.170 -18.421 7.181 1.00 32.89 O HETATM 2689 O HOH 29 20.676 -16.547 0.027 1.00 35.85 O HETATM 2690 O HOH 30 18.513 -13.151 -6.434 1.00 27.23 O HETATM 2691 O HOH 31 10.038 12.463 16.141 1.00 27.64 O HETATM 2692 O HOH 32 22.165 -8.268 -9.582 1.00 43.34 O HETATM 2693 O HOH 33 7.105 -16.153 -1.845 1.00 30.71 O HETATM 2694 O HOH 34 14.492 14.113 1.643 1.00 42.55 O HETATM 2695 O HOH 35 39.408 -6.588 -0.455 1.00 39.81 O HETATM 2696 O HOH 36 17.062 -7.488 -10.265 1.00 43.30 O HETATM 2697 O HOH 37 14.071 -16.183 -8.198 1.00 27.43 O HETATM 2698 O HOH 38 29.712 -16.322 1.997 1.00 46.72 O HETATM 2699 O HOH 39 5.121 -4.878 -6.662 1.00 35.72 O HETATM 2700 O HOH 40 20.305 8.519 -14.648 1.00 32.24 O HETATM 2701 O HOH 41 11.289 3.243 -10.124 1.00 29.93 O HETATM 2702 O HOH 42 0.043 2.821 4.049 1.00 39.99 O HETATM 2703 O HOH 43 13.410 -7.896 -4.765 1.00 28.53 O HETATM 2704 O HOH 44 3.362 0.041 -2.501 1.00 35.17 O HETATM 2705 O HOH 45 30.377 8.366 7.767 1.00 30.93 O HETATM 2706 O HOH 46 21.768 8.101 -16.869 1.00 55.68 O HETATM 2707 O HOH 47 19.861 -17.583 4.988 1.00 32.74 O HETATM 2708 O HOH 48 8.277 5.729 12.511 1.00 35.44 O HETATM 2709 O HOH 49 24.892 10.230 9.024 1.00 43.76 O HETATM 2710 O HOH 50 27.701 13.478 2.143 1.00 48.23 O HETATM 2711 O HOH 51 37.430 -8.348 4.867 1.00 47.64 O HETATM 2712 O HOH 52 15.321 21.263 -1.752 1.00 48.67 O HETATM 2713 O HOH 53 18.492 -5.723 -15.366 1.00 43.62 O HETATM 2714 O HOH 54 1.466 -9.783 3.196 1.00 46.79 O HETATM 2715 O HOH 55 1.796 -3.980 0.565 1.00 41.49 O HETATM 2716 O HOH 56 35.700 -12.324 4.298 1.00 53.25 O HETATM 2717 O HOH 57 25.255 -17.762 -8.971 1.00 55.29 O HETATM 2718 O HOH 58 6.776 18.924 6.169 1.00 45.07 O HETATM 2719 O HOH 59 5.456 3.965 8.510 1.00 38.70 O HETATM 2720 O HOH 60 21.321 -15.214 4.534 1.00 24.73 O HETATM 2721 O HOH 61 9.632 3.250 13.521 1.00 36.17 O HETATM 2722 O HOH 62 14.115 -19.312 0.502 1.00 44.59 O HETATM 2723 O HOH 63 12.830 -3.190 -2.089 1.00 26.63 O HETATM 2724 O HOH 64 15.685 -17.491 -6.052 1.00 43.49 O HETATM 2725 O HOH 65 39.353 -8.838 6.783 1.00 50.32 O HETATM 2726 O HOH 66 4.566 8.757 -2.170 1.00 38.26 O HETATM 2727 O HOH 67 13.701 -20.576 5.482 1.00 47.25 O HETATM 2728 O HOH 68 25.504 12.849 6.097 1.00 28.82 O HETATM 2729 O HOH 69 28.588 -14.770 -5.374 1.00 52.56 O HETATM 2730 O HOH 70 33.893 9.274 -1.157 1.00 41.31 O HETATM 2731 O HOH 71 22.927 -11.096 -7.864 1.00 36.21 O HETATM 2732 O HOH 72 11.901 1.873 12.843 1.00 31.06 O HETATM 2733 O HOH 73 41.034 -9.220 4.280 1.00 38.28 O HETATM 2734 O HOH 74 9.116 16.487 -7.572 1.00 48.56 O HETATM 2735 O HOH 75 38.458 -8.551 2.346 1.00 34.67 O HETATM 2736 O HOH 76 21.743 -5.714 -16.352 1.00 44.44 O HETATM 2737 O HOH 77 11.781 12.665 8.656 1.00 31.56 O HETATM 2738 O HOH 78 12.258 17.625 4.954 1.00 46.81 O HETATM 2739 O HOH 79 40.030 -3.775 2.766 1.00 34.00 O HETATM 2740 O HOH 80 39.907 -0.053 -0.448 1.00 46.94 O HETATM 2741 O HOH 81 38.059 -2.049 -5.065 1.00 40.83 O HETATM 2742 O HOH 82 40.588 1.362 -3.450 1.00 54.16 O HETATM 2743 O HOH 83 14.685 -20.283 -5.563 1.00 40.93 O HETATM 2744 O HOH 84 2.220 0.213 7.218 1.00 37.53 O HETATM 2745 O HOH 85 36.351 -10.113 10.219 1.00 25.28 O HETATM 2746 O HOH 86 9.483 19.852 -3.920 1.00 46.12 O HETATM 2747 O HOH 87 6.722 -1.304 9.013 1.00 30.01 O HETATM 2748 O HOH 88 -0.121 -0.510 6.098 1.00 38.90 O HETATM 2749 O HOH 89 28.255 -11.515 -7.157 1.00 32.00 O HETATM 2750 O HOH 90 15.613 7.921 14.289 1.00 43.48 O HETATM 2751 O HOH 91 27.594 11.744 -7.075 1.00 34.87 O HETATM 2752 O HOH 92 18.310 -4.651 -10.811 1.00 31.89 O HETATM 2753 O HOH 93 39.894 3.404 2.497 1.00 36.61 O HETATM 2754 O HOH 94 25.644 9.029 11.649 1.00 39.89 O HETATM 2755 O HOH 95 8.597 14.797 -5.624 1.00 38.46 O HETATM 2756 O HOH 96 17.423 -8.038 7.449 1.00 21.38 O HETATM 2757 O HOH 97 33.583 0.486 16.303 1.00 23.13 O HETATM 2758 O HOH 98 21.859 -15.517 7.885 1.00 24.38 O HETATM 2759 O HOH 99 26.723 15.679 20.031 1.00 30.23 O HETATM 2760 O HOH 100 20.780 -17.374 9.521 1.00 31.52 O HETATM 2761 O HOH 101 34.016 -14.196 22.483 1.00 25.55 O HETATM 2762 O HOH 102 16.640 7.019 39.013 1.00 37.92 O HETATM 2763 O HOH 103 11.429 -10.966 27.868 1.00 29.72 O HETATM 2764 O HOH 104 17.364 -8.697 18.337 1.00 29.24 O HETATM 2765 O HOH 105 22.430 -14.511 32.338 1.00 32.06 O HETATM 2766 O HOH 106 15.150 4.647 27.853 1.00 39.74 O HETATM 2767 O HOH 107 31.384 -7.772 36.257 1.00 26.71 O HETATM 2768 O HOH 108 39.379 3.231 30.910 1.00 32.43 O HETATM 2769 O HOH 109 20.520 8.823 28.390 1.00 34.80 O HETATM 2770 O HOH 110 32.970 10.455 20.365 1.00 35.34 O HETATM 2771 O HOH 111 20.240 -19.493 11.378 1.00 24.25 O HETATM 2772 O HOH 112 20.749 -18.031 19.441 1.00 29.15 O HETATM 2773 O HOH 113 35.728 -8.921 25.283 1.00 32.01 O HETATM 2774 O HOH 114 30.313 15.063 21.941 1.00 38.19 O HETATM 2775 O HOH 115 17.852 3.704 33.566 1.00 36.92 O HETATM 2776 O HOH 116 27.841 3.939 32.908 1.00 30.00 O HETATM 2777 O HOH 117 36.429 -13.916 20.980 1.00 21.90 O HETATM 2778 O HOH 118 34.066 -3.810 31.661 1.00 34.45 O HETATM 2779 O HOH 119 38.649 -12.126 21.757 1.00 32.99 O HETATM 2780 O HOH 120 15.641 0.171 29.695 1.00 37.35 O HETATM 2781 O HOH 121 14.062 -4.660 24.771 1.00 28.87 O HETATM 2782 O HOH 122 46.511 -1.315 22.153 1.00 41.20 O HETATM 2783 O HOH 123 28.927 -22.463 18.197 1.00 31.56 O HETATM 2784 O HOH 124 46.788 1.728 12.849 1.00 40.41 O HETATM 2785 O HOH 125 26.353 -20.407 15.200 1.00 31.81 O HETATM 2786 O HOH 126 42.711 -10.647 19.738 1.00 45.84 O HETATM 2787 O HOH 127 18.706 10.984 25.143 1.00 46.18 O HETATM 2788 O HOH 128 18.719 -21.004 8.920 1.00 29.14 O HETATM 2789 O HOH 129 14.529 1.263 24.976 1.00 33.47 O HETATM 2790 O HOH 130 31.956 -15.357 27.898 1.00 41.19 O HETATM 2791 O HOH 131 17.698 12.079 21.016 1.00 35.42 O HETATM 2792 O HOH 132 30.633 -10.148 37.531 1.00 36.63 O HETATM 2793 O HOH 133 34.418 -9.827 28.061 1.00 40.38 O HETATM 2794 O HOH 134 28.690 7.921 36.336 1.00 47.30 O HETATM 2795 O HOH 135 42.143 14.554 12.812 1.00 52.40 O HETATM 2796 O HOH 136 46.842 14.816 12.731 1.00 33.43 O HETATM 2797 O HOH 137 23.338 17.125 22.531 1.00 30.46 O HETATM 2798 O HOH 138 36.978 7.423 12.148 1.00 45.89 O HETATM 2799 O HOH 139 33.843 -6.305 32.885 1.00 33.98 O HETATM 2800 O HOH 140 32.892 2.010 33.139 1.00 25.52 O HETATM 2801 O HOH 141 29.362 -3.422 37.502 1.00 29.54 O HETATM 2802 O HOH 142 29.334 12.887 31.910 1.00 40.57 O HETATM 2803 O HOH 143 40.573 11.155 27.616 1.00 36.47 O HETATM 2804 O HOH 144 14.714 -8.703 11.846 1.00 32.36 O HETATM 2805 O HOH 145 21.421 -20.223 8.918 1.00 30.10 O HETATM 2806 O HOH 146 9.569 -10.170 23.439 1.00 37.80 O HETATM 2807 O HOH 147 25.715 1.735 36.104 1.00 37.64 O HETATM 2808 O HOH 148 47.557 -4.323 21.361 1.00 32.76 O HETATM 2809 O HOH 149 34.861 -1.002 23.703 1.00 38.01 O HETATM 2810 O HOH 150 11.641 -5.848 23.849 1.00 32.76 O HETATM 2811 O HOH 151 16.165 4.073 30.744 1.00 31.45 O HETATM 2812 O HOH 152 12.089 -17.419 25.961 1.00 44.69 O HETATM 2813 O HOH 153 23.039 -16.702 33.792 1.00 42.25 O HETATM 2814 O HOH 154 32.977 -0.585 33.938 1.00 41.20 O HETATM 2815 O HOH 155 11.023 -1.571 21.842 1.00 42.46 O HETATM 2816 O HOH 156 23.027 -16.780 36.334 1.00 44.23 O HETATM 2817 O HOH 157 27.994 13.504 16.743 1.00 28.87 O HETATM 2818 O HOH 158 23.205 -21.227 14.191 1.00 35.52 O HETATM 2819 O HOH 159 19.039 -14.926 28.444 1.00 34.64 O HETATM 2820 O HOH 160 42.659 -1.034 6.387 1.00 43.15 O HETATM 2821 O HOH 161 18.000 -18.255 9.801 1.00 31.45 O HETATM 2822 O HOH 162 25.327 -2.442 12.203 1.00 37.00 O HETATM 2823 O HOH 163 28.278 12.027 14.221 1.00 36.48 O HETATM 2824 O HOH 164 45.879 6.242 18.508 1.00 48.48 O HETATM 2825 O HOH 165 23.005 -2.740 37.865 1.00 36.56 O HETATM 2826 O HOH 166 45.317 4.416 21.494 1.00 42.80 O HETATM 2827 O HOH 167 15.051 -6.343 31.682 1.00 37.19 O HETATM 2828 O HOH 168 51.928 -9.659 25.211 1.00 45.59 O HETATM 2829 O HOH 169 36.382 3.100 13.900 1.00 43.12 O HETATM 2830 O HOH 170 14.262 -9.068 31.227 1.00 37.17 O HETATM 2831 O HOH 171 18.960 -12.265 32.407 1.00 39.15 O HETATM 2832 O HOH 172 21.186 -20.053 26.294 1.00 34.64 O HETATM 2833 O5' A A 3 9.111 -2.926 8.592 1.00 -0.39 O HETATM 2834 C5' A A 3 9.074 -4.261 8.079 1.00 0.07 C HETATM 2835 C4' A A 3 9.799 -4.324 6.782 1.00 0.11 C HETATM 2836 O4' A A 3 9.159 -3.363 6.049 1.00 -0.34 O HETATM 2837 C1' A A 3 10.181 -2.578 5.350 1.00 0.20 C HETATM 2838 N9 A A 3 10.010 -1.143 5.686 1.00 -0.19 N HETATM 2839 C4 A A 3 10.833 -0.159 5.375 1.00 0.16 C HETATM 2840 N3 A A 3 12.123 -0.113 4.927 1.00 -0.27 N HETATM 2841 C2 A A 3 12.715 1.086 4.733 1.00 0.05 C HETATM 2842 N1 A A 3 12.140 2.263 5.009 1.00 -0.27 N HETATM 2843 C6 A A 3 10.835 2.239 5.455 1.00 0.13 C HETATM 2844 N6 A A 3 10.241 3.407 5.717 1.00 -0.32 N HETATM 2845 H7 A A 3 9.267 3.426 6.052 1.00 0.18 H HETATM 2846 H8 A A 3 10.757 4.288 5.584 1.00 0.18 H HETATM 2847 C5 A A 3 10.177 1.026 5.687 1.00 0.10 C HETATM 2848 N7 A A 3 8.882 0.695 6.111 1.00 -0.30 N HETATM 2849 C8 A A 3 8.785 -0.646 6.078 1.00 0.11 C HETATM 2850 H9 A A 3 7.899 -1.233 6.317 1.00 0.13 H HETATM 2851 H6 A A 3 13.720 1.095 4.328 1.00 0.10 H HETATM 2852 C2' A A 3 11.500 -3.243 5.518 1.00 0.14 C HETATM 2853 O2' A A 3 11.618 -4.245 4.488 1.00 -0.38 O HETATM 2854 H11 A A 3 12.455 -4.687 4.572 1.00 0.21 H HETATM 2855 C3' A A 3 11.259 -3.812 6.945 1.00 0.10 C HETATM 2856 N8 A A 3 12.152 -4.936 7.133 1.00 -0.27 N HETATM 2857 C A A 3 13.421 -4.777 7.479 1.00 0.23 C HETATM 2858 CA A A 3 14.320 -6.033 7.493 1.00 0.09 C HETATM 2859 N A A 3 15.733 -5.650 7.729 1.00 0.24 N HETATM 2860 H14 A A 3 16.309 -6.477 7.736 1.00 0.20 H HETATM 2861 H15 A A 3 15.810 -5.180 8.617 1.00 0.20 H HETATM 2862 H16 A A 3 16.041 -5.032 6.994 1.00 0.20 H HETATM 2863 CB A A 3 13.924 -7.019 8.612 1.00 0.10 C HETATM 2864 OG A A 3 14.706 -8.203 8.380 1.00 -0.39 O HETATM 2865 H20 A A 3 15.630 -7.984 8.422 1.00 0.21 H HETATM 2866 H18 A A 3 12.850 -7.251 8.557 1.00 0.06 H HETATM 2867 H19 A A 3 14.156 -6.593 9.599 1.00 0.06 H HETATM 2868 H17 A A 3 14.233 -6.537 6.519 1.00 0.11 H HETATM 2869 O A A 3 13.967 -3.554 7.700 1.00 -0.39 O HETATM 2870 H13 A A 3 11.800 -5.862 6.997 1.00 0.19 H HETATM 2871 H12 A A 3 11.372 -3.065 7.744 1.00 0.06 H HETATM 2872 H10 A A 3 12.355 -2.552 5.481 1.00 0.07 H HETATM 2873 H5 A A 3 9.964 -2.645 4.274 1.00 0.10 H HETATM 2874 H4 A A 3 9.763 -5.325 6.326 1.00 0.06 H HETATM 2875 H2 A A 3 8.028 -4.565 7.927 1.00 0.06 H HETATM 2876 H3 A A 3 9.553 -4.942 8.798 1.00 0.06 H HETATM 2877 H1 A A 3 8.697 -2.338 7.971 1.00 0.21 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1328 1329 1336 1337 1338 CONECT 1336 1328 CONECT 1337 1328 CONECT 1338 1328 CONECT 2833 2834 2877 CONECT 2834 2833 2835 2875 2876 CONECT 2835 2834 2836 2855 2874 CONECT 2836 2835 2837 CONECT 2837 2836 2838 2852 2873 CONECT 2838 2837 2839 2849 CONECT 2839 2838 2840 2847 CONECT 2840 2839 2841 CONECT 2841 2840 2842 2851 CONECT 2842 2841 2843 CONECT 2843 2842 2844 2847 CONECT 2844 2843 2845 2846 CONECT 2845 2844 CONECT 2846 2844 CONECT 2847 2839 2843 2848 CONECT 2848 2847 2849 CONECT 2849 2838 2848 2850 CONECT 2850 2849 CONECT 2851 2841 CONECT 2852 2837 2853 2855 2872 CONECT 2853 2852 2854 CONECT 2854 2853 CONECT 2855 2835 2852 2856 2871 CONECT 2856 2855 2857 2870 CONECT 2857 2856 2858 2869 CONECT 2858 2857 2859 2863 2868 CONECT 2859 2858 2860 2861 2862 CONECT 2860 2859 CONECT 2861 2859 CONECT 2862 2859 CONECT 2863 2858 2864 2866 2867 CONECT 2864 2863 2865 CONECT 2865 2864 CONECT 2866 2863 CONECT 2867 2863 CONECT 2868 2858 CONECT 2869 2857 CONECT 2870 2856 CONECT 2871 2855 CONECT 2872 2852 CONECT 2873 2837 CONECT 2874 2835 CONECT 2875 2834 CONECT 2876 2834 CONECT 2877 2833 MASTER 0 0 0 0 0 0 0 0 2875 2 53 22 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4rrf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4rrg
RCSB PDB
PDBbind
141aa, >4RRG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3pd2
RCSB PDB
PDBbind
A3S
4rr6
RCSB PDB
PDBbind
A3S
4rrq
RCSB PDB
PDBbind
A3S
Entry Information
PDB ID
4rrf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Editing domain of threonyl-tRNA synthetase from Methanococcus jannaschii
Ligand Name
A3S
EC.Number
E.C.6.1.1.3
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=239.2uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat Commun Vol. 6: pp. 7552-7552
Ligand Properties
Formula
C
1
3
H
2
0
N
7
O
5
Molecular Weight
354.342
Exact Mass
354.153
No. of atoms
45
No. of bonds
47
Polar Surface Area
196.28
LOGP Value
-3.47 (
Computed with XLOGP3
)
-3.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N)[NH3+]
InChI String
InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/p+1/t5-,6+,7+,9+,13+/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):
Q58597
Entrez Gene ID
NCBI Entrez Gene ID:
1452092
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓