Browse entries in the PDBbind-CN Database
HEADER 4R4O_COMPLEX COMPND 4R4O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 263 57 ATOM 1 N GLY A -2 -8.165 -21.590 8.978 1.00 26.60 N ATOM 2 CA GLY A -2 -8.844 -22.539 9.906 1.00 26.16 C ATOM 3 C GLY A -2 -9.777 -21.846 10.878 1.00 26.71 C ATOM 4 O GLY A -2 -9.799 -20.614 10.976 1.00 27.23 O ATOM 5 HN3 GLY A -2 -7.602 -20.911 9.529 1.00 0.00 H ATOM 6 HN2 GLY A -2 -8.880 -21.079 8.422 1.00 0.00 H ATOM 7 HN1 GLY A -2 -7.540 -22.120 8.338 1.00 0.00 H ATOM 8 N SER A -1 -10.541 -22.660 11.602 1.00 26.72 N ATOM 9 CA SER A -1 -11.535 -22.184 12.558 1.00 26.85 C ATOM 10 C SER A -1 -10.999 -21.030 13.410 1.00 25.24 C ATOM 11 O SER A -1 -9.787 -20.945 13.651 1.00 24.85 O ATOM 12 CB SER A -1 -11.999 -23.341 13.448 1.00 27.64 C ATOM 13 H SER A -1 -10.424 -23.686 11.480 1.00 0.00 H ATOM 14 N HIS A 0 -11.894 -20.148 13.846 1.00 24.33 N ATOM 15 CA HIS A 0 -11.514 -18.933 14.586 1.00 22.19 C ATOM 16 C HIS A 0 -10.652 -18.064 13.665 1.00 18.36 C ATOM 17 O HIS A 0 -9.494 -17.812 13.945 1.00 18.01 O ATOM 18 CB HIS A 0 -10.760 -19.337 15.867 1.00 23.36 C ATOM 19 CG HIS A 0 -10.314 -18.199 16.732 1.00 24.67 C ATOM 20 ND1 HIS A 0 -11.162 -17.193 17.150 1.00 25.38 N ATOM 21 CD2 HIS A 0 -9.114 -17.930 17.302 1.00 24.56 C ATOM 22 CE1 HIS A 0 -10.500 -16.347 17.917 1.00 25.42 C ATOM 23 NE2 HIS A 0 -9.251 -16.775 18.028 1.00 24.99 N ATOM 24 H HIS A 0 -12.902 -20.323 13.657 1.00 0.00 H ATOM 25 N MET A 1 -11.221 -17.600 12.555 1.00 15.64 N ATOM 26 CA MET A 1 -10.440 -16.933 11.521 1.00 14.87 C ATOM 27 C MET A 1 -9.767 -15.671 12.046 1.00 13.61 C ATOM 28 O MET A 1 -8.665 -15.333 11.629 1.00 13.20 O ATOM 29 CB MET A 1 -11.318 -16.587 10.310 1.00 15.49 C ATOM 30 CG MET A 1 -11.876 -17.803 9.566 1.00 16.31 C ATOM 31 SD MET A 1 -12.718 -17.397 8.021 1.00 17.42 S ATOM 32 CE MET A 1 -11.315 -17.070 6.954 1.00 17.38 C ATOM 33 H MET A 1 -12.246 -17.716 12.422 1.00 0.00 H ATOM 34 N VAL A 2 -10.433 -14.959 12.943 1.00 12.85 N ATOM 35 CA VAL A 2 -9.865 -13.713 13.417 1.00 13.51 C ATOM 36 C VAL A 2 -8.608 -13.956 14.240 1.00 11.93 C ATOM 37 O VAL A 2 -7.783 -13.069 14.387 1.00 12.09 O ATOM 38 CB VAL A 2 -10.887 -12.885 14.206 1.00 15.62 C ATOM 39 CG1 VAL A 2 -11.146 -13.451 15.595 1.00 16.22 C ATOM 40 CG2 VAL A 2 -10.459 -11.440 14.268 1.00 17.88 C ATOM 41 H VAL A 2 -11.351 -15.290 13.302 1.00 0.00 H ATOM 42 N GLY A 3 -8.430 -15.182 14.724 1.00 11.13 N ATOM 43 CA GLY A 3 -7.207 -15.558 15.401 1.00 11.65 C ATOM 44 C GLY A 3 -5.979 -15.553 14.493 1.00 11.24 C ATOM 45 O GLY A 3 -4.848 -15.665 14.983 1.00 12.89 O ATOM 46 H GLY A 3 -9.187 -15.887 14.614 1.00 0.00 H ATOM 47 N GLN A 4 -6.183 -15.452 13.182 1.00 11.57 N ATOM 48 CA GLN A 4 -5.073 -15.374 12.248 1.00 12.01 C ATOM 49 C GLN A 4 -4.530 -13.952 12.086 1.00 10.57 C ATOM 50 O GLN A 4 -3.495 -13.767 11.457 1.00 10.99 O ATOM 51 CB GLN A 4 -5.512 -15.928 10.883 1.00 15.08 C ATOM 52 CG GLN A 4 -6.000 -17.376 10.938 1.00 18.58 C ATOM 53 CD GLN A 4 -4.896 -18.404 11.227 1.00 22.61 C ATOM 54 OE1 GLN A 4 -3.890 -18.451 10.539 1.00 24.58 O ATOM 55 NE2 GLN A 4 -5.114 -19.253 12.227 1.00 24.99 N ATOM 56 HE22 GLN A 4 -5.985 -19.180 12.791 1.00 0.00 H ATOM 57 HE21 GLN A 4 -4.414 -19.990 12.445 1.00 0.00 H ATOM 58 H GLN A 4 -7.157 -15.428 12.818 1.00 0.00 H ATOM 59 N LEU A 5 -5.233 -12.955 12.635 1.00 9.55 N ATOM 60 CA LEU A 5 -4.861 -11.544 12.465 1.00 9.39 C ATOM 61 C LEU A 5 -4.376 -10.932 13.768 1.00 8.75 C ATOM 62 O LEU A 5 -4.803 -11.342 14.853 1.00 9.31 O ATOM 63 CB LEU A 5 -6.044 -10.741 11.940 1.00 9.26 C ATOM 64 CG LEU A 5 -6.679 -11.246 10.652 1.00 9.55 C ATOM 65 CD1 LEU A 5 -7.807 -10.327 10.211 1.00 10.51 C ATOM 66 CD2 LEU A 5 -5.681 -11.399 9.499 1.00 10.39 C ATOM 67 H LEU A 5 -6.073 -13.187 13.203 1.00 0.00 H ATOM 68 N SER A 6 -3.494 -9.941 13.660 1.00 8.53 N ATOM 69 CA SER A 6 -2.917 -9.275 14.823 1.00 9.03 C ATOM 70 C SER A 6 -3.885 -8.275 15.455 1.00 9.49 C ATOM 71 O SER A 6 -3.701 -7.053 15.363 1.00 9.83 O ATOM 72 CB SER A 6 -1.635 -8.576 14.416 1.00 9.02 C ATOM 73 OG SER A 6 -0.640 -9.520 14.124 1.00 9.26 O ATOM 74 HG SER A 6 0.191 -9.051 13.860 1.00 0.00 H ATOM 75 H SER A 6 -3.205 -9.630 12.711 1.00 0.00 H ATOM 76 N ARG A 7 -4.899 -8.791 16.134 1.00 9.98 N ATOM 77 CA ARG A 7 -5.914 -7.941 16.745 1.00 10.94 C ATOM 78 C ARG A 7 -5.254 -6.963 17.700 1.00 11.25 C ATOM 79 O ARG A 7 -4.492 -7.350 18.573 1.00 12.49 O ATOM 80 CB ARG A 7 -6.939 -8.783 17.490 1.00 11.39 C ATOM 81 CG ARG A 7 -7.826 -9.586 16.573 1.00 12.34 C ATOM 82 CD ARG A 7 -8.810 -10.409 17.356 1.00 13.89 C ATOM 83 NE ARG A 7 -8.188 -11.635 17.823 1.00 15.63 N ATOM 84 CZ ARG A 7 -8.772 -12.521 18.612 1.00 17.89 C ATOM 85 NH1 ARG A 7 -10.012 -12.302 19.046 1.00 18.88 N ATOM 86 NH2 ARG A 7 -8.110 -13.621 18.961 1.00 19.26 N ATOM 87 HE ARG A 7 -7.214 -11.830 17.515 1.00 0.00 H ATOM 88 HH12 ARG A 7 -10.476 -12.996 19.667 1.00 0.00 H ATOM 89 HH11 ARG A 7 -10.516 -11.437 18.764 1.00 0.00 H ATOM 90 HH22 ARG A 7 -8.560 -14.324 19.581 1.00 0.00 H ATOM 91 HH21 ARG A 7 -7.142 -13.778 18.614 1.00 0.00 H ATOM 92 H ARG A 7 -4.972 -9.824 16.233 1.00 0.00 H ATOM 93 N GLY A 8 -5.530 -5.680 17.501 1.00 11.67 N ATOM 94 CA GLY A 8 -4.958 -4.612 18.312 1.00 13.26 C ATOM 95 C GLY A 8 -3.768 -3.906 17.685 1.00 13.01 C ATOM 96 O GLY A 8 -3.325 -2.868 18.160 1.00 13.89 O ATOM 97 H GLY A 8 -6.183 -5.425 16.733 1.00 0.00 H ATOM 98 N ALA A 9 -3.243 -4.439 16.594 1.00 11.40 N ATOM 99 CA ALA A 9 -2.101 -3.811 15.939 1.00 11.65 C ATOM 100 C ALA A 9 -2.416 -2.425 15.380 1.00 11.94 C ATOM 101 O ALA A 9 -1.558 -1.560 15.385 1.00 12.85 O ATOM 102 CB ALA A 9 -1.560 -4.694 14.844 1.00 12.03 C ATOM 103 H ALA A 9 -3.648 -5.312 16.200 1.00 0.00 H ATOM 104 N ILE A 10 -3.619 -2.208 14.866 1.00 11.49 N ATOM 105 CA ILE A 10 -3.913 -0.899 14.280 1.00 12.73 C ATOM 106 C ILE A 10 -3.877 0.187 15.348 1.00 14.07 C ATOM 107 O ILE A 10 -3.264 1.247 15.166 1.00 15.46 O ATOM 108 CB ILE A 10 -5.240 -0.927 13.516 1.00 13.29 C ATOM 109 CG1 ILE A 10 -5.012 -1.587 12.161 1.00 13.97 C ATOM 110 CG2 ILE A 10 -5.808 0.477 13.313 1.00 14.21 C ATOM 111 CD1 ILE A 10 -6.259 -1.933 11.400 1.00 14.76 C ATOM 112 H ILE A 10 -4.342 -2.956 14.879 1.00 0.00 H ATOM 113 N ALA A 11 -4.518 -0.069 16.480 1.00 14.64 N ATOM 114 CA ALA A 11 -4.478 0.888 17.572 1.00 16.49 C ATOM 115 C ALA A 11 -3.039 1.118 18.036 1.00 18.20 C ATOM 116 O ALA A 11 -2.653 2.254 18.328 1.00 19.60 O ATOM 117 CB ALA A 11 -5.325 0.393 18.710 1.00 16.65 C ATOM 118 H ALA A 11 -5.050 -0.956 16.586 1.00 0.00 H ATOM 119 N ALA A 12 -2.241 0.055 18.109 1.00 18.01 N ATOM 120 CA ALA A 12 -0.850 0.180 18.562 1.00 19.06 C ATOM 121 C ALA A 12 -0.040 1.057 17.613 1.00 18.82 C ATOM 122 O ALA A 12 0.753 1.894 18.036 1.00 20.58 O ATOM 123 CB ALA A 12 -0.208 -1.184 18.714 1.00 19.72 C ATOM 124 H ALA A 12 -2.609 -0.880 17.841 1.00 0.00 H ATOM 125 N ILE A 13 -0.245 0.871 16.319 1.00 17.56 N ATOM 126 CA ILE A 13 0.482 1.661 15.343 1.00 17.95 C ATOM 127 C ILE A 13 0.094 3.113 15.391 1.00 18.68 C ATOM 128 O ILE A 13 0.949 3.992 15.323 1.00 20.08 O ATOM 129 CB ILE A 13 0.215 1.168 13.931 1.00 18.28 C ATOM 130 CG1 ILE A 13 0.842 -0.209 13.740 1.00 19.01 C ATOM 131 CG2 ILE A 13 0.783 2.149 12.882 1.00 18.22 C ATOM 132 CD1 ILE A 13 0.360 -0.904 12.531 1.00 19.27 C ATOM 133 H ILE A 13 -0.930 0.156 16.000 1.00 0.00 H ATOM 134 N MET A 14 -1.200 3.370 15.480 1.00 18.23 N ATOM 135 CA MET A 14 -1.684 4.736 15.347 1.00 19.18 C ATOM 136 C MET A 14 -1.524 5.541 16.633 1.00 22.44 C ATOM 137 O MET A 14 -1.413 6.762 16.573 1.00 23.26 O ATOM 138 CB MET A 14 -3.150 4.740 14.917 1.00 17.97 C ATOM 139 CG MET A 14 -3.378 4.211 13.507 1.00 18.56 C ATOM 140 SD MET A 14 -2.710 5.227 12.156 1.00 19.43 S ATOM 141 CE MET A 14 -3.911 6.546 12.059 1.00 19.16 C ATOM 142 H MET A 14 -1.873 2.595 15.645 1.00 0.00 H ATOM 143 N GLN A 15 -1.513 4.858 17.779 1.00 24.66 N ATOM 144 CA GLN A 15 -1.431 5.517 19.090 1.00 27.91 C ATOM 145 C GLN A 15 -0.083 5.393 19.792 1.00 29.89 C ATOM 146 O GLN A 15 0.428 6.383 20.311 1.00 30.41 O ATOM 147 CB GLN A 15 -2.496 4.944 20.018 1.00 28.82 C ATOM 148 CG GLN A 15 -3.896 5.083 19.484 1.00 29.81 C ATOM 149 CD GLN A 15 -4.881 4.176 20.189 1.00 31.26 C ATOM 150 OE1 GLN A 15 -4.540 3.513 21.164 1.00 32.56 O ATOM 151 NE2 GLN A 15 -6.107 4.135 19.692 1.00 31.44 N ATOM 152 HE22 GLN A 15 -6.352 4.714 18.864 1.00 0.00 H ATOM 153 HE21 GLN A 15 -6.825 3.523 20.130 1.00 0.00 H ATOM 154 H GLN A 15 -1.564 3.820 17.743 1.00 0.00 H ATOM 155 N LYS A 16 0.465 4.181 19.860 1.00 31.42 N ATOM 156 CA LYS A 16 1.700 3.952 20.614 1.00 33.15 C ATOM 157 C LYS A 16 2.929 4.301 19.788 1.00 33.85 C ATOM 158 O LYS A 16 4.018 4.459 20.327 1.00 33.74 O ATOM 159 CB LYS A 16 1.793 2.498 21.096 1.00 34.37 C ATOM 160 CG LYS A 16 0.846 2.163 22.235 1.00 35.54 C ATOM 161 CD LYS A 16 0.479 0.687 22.249 1.00 36.64 C ATOM 162 CE LYS A 16 1.701 -0.223 22.275 1.00 37.47 C ATOM 163 NZ LYS A 16 1.321 -1.663 22.215 1.00 37.66 N ATOM 164 HZ1 LYS A 16 0.722 -1.897 23.033 1.00 0.00 H ATOM 165 HZ2 LYS A 16 0.796 -1.845 21.336 1.00 0.00 H ATOM 166 HZ3 LYS A 16 2.180 -2.248 22.235 1.00 0.00 H ATOM 167 H LYS A 16 0.009 3.385 19.370 1.00 0.00 H ATOM 168 N GLY A 17 2.756 4.417 18.477 1.00 34.67 N ATOM 169 CA GLY A 17 3.862 4.758 17.600 1.00 34.63 C ATOM 170 C GLY A 17 4.764 3.566 17.367 1.00 33.92 C ATOM 171 O GLY A 17 5.817 3.681 16.734 1.00 33.80 O ATOM 172 H GLY A 17 1.811 4.261 18.071 1.00 0.00 H ATOM 173 N ASP A 18 4.332 2.414 17.872 1.00 33.09 N ATOM 174 CA ASP A 18 5.056 1.161 17.726 1.00 32.32 C ATOM 175 C ASP A 18 5.460 0.924 16.266 1.00 31.75 C ATOM 176 O ASP A 18 4.601 0.995 15.384 1.00 32.63 O ATOM 177 CB ASP A 18 4.144 0.024 18.199 1.00 32.22 C ATOM 178 CG ASP A 18 4.899 -1.252 18.490 1.00 32.02 C ATOM 179 OD1 ASP A 18 5.826 -1.592 17.726 1.00 31.77 O ATOM 180 OD2 ASP A 18 4.557 -1.914 19.491 1.00 32.23 O ATOM 181 H ASP A 18 3.434 2.409 18.396 1.00 0.00 H ATOM 182 N THR A 19 6.754 0.678 16.015 1.00 30.10 N ATOM 183 CA THR A 19 7.215 0.262 14.675 1.00 30.19 C ATOM 184 C THR A 19 7.987 -1.062 14.640 1.00 29.09 C ATOM 185 O THR A 19 8.366 -1.540 13.566 1.00 29.69 O ATOM 186 CB THR A 19 8.064 1.350 13.976 1.00 31.19 C ATOM 187 OG1 THR A 19 8.976 1.944 14.909 1.00 32.07 O ATOM 188 CG2 THR A 19 7.162 2.413 13.390 1.00 31.32 C ATOM 189 HG1 THR A 19 9.512 2.637 14.449 1.00 0.00 H ATOM 190 H THR A 19 7.449 0.783 16.782 1.00 0.00 H ATOM 191 N ASN A 20 8.207 -1.670 15.796 1.00 27.53 N ATOM 192 CA ASN A 20 8.963 -2.919 15.843 1.00 27.00 C ATOM 193 C ASN A 20 8.098 -4.142 15.556 1.00 23.51 C ATOM 194 O ASN A 20 8.599 -5.209 15.206 1.00 24.55 O ATOM 195 CB ASN A 20 9.633 -3.076 17.206 1.00 29.85 C ATOM 196 CG ASN A 20 10.710 -2.040 17.446 1.00 31.93 C ATOM 197 OD1 ASN A 20 11.397 -1.616 16.515 1.00 33.20 O ATOM 198 ND2 ASN A 20 10.866 -1.624 18.704 1.00 32.45 N ATOM 199 HD22 ASN A 20 10.263 -2.010 19.458 1.00 0.00 H ATOM 200 HD21 ASN A 20 11.591 -0.914 18.931 1.00 0.00 H ATOM 201 H ASN A 20 7.839 -1.255 16.676 1.00 0.00 H ATOM 202 N ILE A 21 6.797 -3.990 15.721 1.00 18.11 N ATOM 203 CA ILE A 21 5.884 -5.098 15.510 1.00 14.50 C ATOM 204 C ILE A 21 5.856 -5.509 14.036 1.00 13.14 C ATOM 205 O ILE A 21 6.132 -4.704 13.156 1.00 13.70 O ATOM 206 CB ILE A 21 4.453 -4.736 15.979 1.00 14.45 C ATOM 207 CG1 ILE A 21 3.961 -3.433 15.349 1.00 15.52 C ATOM 208 CG2 ILE A 21 4.396 -4.647 17.495 1.00 15.46 C ATOM 209 CD1 ILE A 21 2.461 -3.230 15.516 1.00 16.70 C ATOM 210 H ILE A 21 6.421 -3.063 16.006 1.00 0.00 H ATOM 211 N LYS A 22 5.522 -6.771 13.788 1.00 11.33 N ATOM 212 CA LYS A 22 5.385 -7.283 12.419 1.00 10.92 C ATOM 213 C LYS A 22 3.987 -7.867 12.257 1.00 9.11 C ATOM 214 O LYS A 22 3.786 -9.082 12.143 1.00 10.16 O ATOM 215 CB LYS A 22 6.462 -8.326 12.120 1.00 12.66 C ATOM 216 CG LYS A 22 7.865 -7.711 12.178 1.00 15.49 C ATOM 217 CD LYS A 22 8.950 -8.674 11.764 1.00 18.77 C ATOM 218 CE LYS A 22 10.210 -7.946 11.302 1.00 21.10 C ATOM 219 NZ LYS A 22 11.306 -8.907 11.003 1.00 21.00 N ATOM 220 HZ1 LYS A 22 11.531 -9.451 11.860 1.00 0.00 H ATOM 221 HZ2 LYS A 22 11.001 -9.555 10.249 1.00 0.00 H ATOM 222 HZ3 LYS A 22 12.149 -8.384 10.692 1.00 0.00 H ATOM 223 H LYS A 22 5.353 -7.415 14.587 1.00 0.00 H ATOM 224 N PRO A 23 2.986 -6.990 12.288 1.00 8.83 N ATOM 225 CA PRO A 23 1.613 -7.465 12.412 1.00 8.51 C ATOM 226 C PRO A 23 1.086 -8.141 11.171 1.00 8.26 C ATOM 227 O PRO A 23 1.483 -7.823 10.056 1.00 8.62 O ATOM 228 CB PRO A 23 0.837 -6.181 12.695 1.00 9.62 C ATOM 229 CG PRO A 23 1.637 -5.101 12.013 1.00 10.17 C ATOM 230 CD PRO A 23 3.073 -5.524 12.233 1.00 9.87 C ATOM 231 N ILE A 24 0.182 -9.081 11.402 1.00 7.69 N ATOM 232 CA ILE A 24 -0.532 -9.754 10.329 1.00 7.30 C ATOM 233 C ILE A 24 -1.898 -9.100 10.163 1.00 7.88 C ATOM 234 O ILE A 24 -2.692 -9.036 11.094 1.00 8.39 O ATOM 235 CB ILE A 24 -0.614 -11.269 10.618 1.00 8.54 C ATOM 236 CG1 ILE A 24 0.818 -11.844 10.671 1.00 10.23 C ATOM 237 CG2 ILE A 24 -1.475 -11.968 9.562 1.00 9.39 C ATOM 238 CD1 ILE A 24 0.897 -13.283 11.126 1.00 10.76 C ATOM 239 H ILE A 24 -0.024 -9.347 12.386 1.00 0.00 H ATOM 240 N LEU A 25 -2.150 -8.618 8.950 1.00 8.04 N ATOM 241 CA LEU A 25 -3.325 -7.817 8.621 1.00 8.06 C ATOM 242 C LEU A 25 -3.984 -8.387 7.383 1.00 8.33 C ATOM 243 O LEU A 25 -3.332 -9.042 6.581 1.00 9.56 O ATOM 244 CB LEU A 25 -2.921 -6.359 8.334 1.00 9.13 C ATOM 245 CG LEU A 25 -2.160 -5.645 9.449 1.00 10.67 C ATOM 246 CD1 LEU A 25 -1.714 -4.276 8.971 1.00 12.19 C ATOM 247 CD2 LEU A 25 -3.002 -5.545 10.705 1.00 11.51 C ATOM 248 H LEU A 25 -1.470 -8.824 8.191 1.00 0.00 H ATOM 249 N GLN A 26 -5.262 -8.119 7.216 1.00 8.22 N ATOM 250 CA GLN A 26 -5.971 -8.483 6.005 1.00 8.19 C ATOM 251 C GLN A 26 -6.215 -7.242 5.167 1.00 7.69 C ATOM 252 O GLN A 26 -6.617 -6.197 5.675 1.00 8.59 O ATOM 253 CB GLN A 26 -7.302 -9.152 6.335 1.00 8.25 C ATOM 254 CG GLN A 26 -8.012 -9.638 5.086 1.00 8.63 C ATOM 255 CD GLN A 26 -9.309 -10.365 5.363 1.00 8.61 C ATOM 256 OE1 GLN A 26 -10.043 -10.010 6.271 1.00 9.00 O ATOM 257 NE2 GLN A 26 -9.625 -11.359 4.535 1.00 9.26 N ATOM 258 HE22 GLN A 26 -8.970 -11.630 3.774 1.00 0.00 H ATOM 259 HE21 GLN A 26 -10.527 -11.865 4.650 1.00 0.00 H ATOM 260 H GLN A 26 -5.779 -7.631 7.976 1.00 0.00 H ATOM 261 N VAL A 27 -5.989 -7.370 3.867 1.00 8.24 N ATOM 262 CA VAL A 27 -6.346 -6.312 2.940 1.00 8.81 C ATOM 263 C VAL A 27 -7.841 -6.399 2.680 1.00 8.61 C ATOM 264 O VAL A 27 -8.348 -7.458 2.319 1.00 9.66 O ATOM 265 CB VAL A 27 -5.608 -6.472 1.619 1.00 9.99 C ATOM 266 CG1 VAL A 27 -6.065 -5.412 0.601 1.00 10.92 C ATOM 267 CG2 VAL A 27 -4.087 -6.399 1.813 1.00 11.36 C ATOM 268 H VAL A 27 -5.550 -8.241 3.506 1.00 0.00 H ATOM 269 N ILE A 28 -8.550 -5.291 2.883 1.00 9.66 N ATOM 270 CA ILE A 28 -9.973 -5.241 2.582 1.00 10.44 C ATOM 271 C ILE A 28 -10.224 -4.631 1.207 1.00 11.65 C ATOM 272 O ILE A 28 -11.052 -5.134 0.457 1.00 13.59 O ATOM 273 CB ILE A 28 -10.752 -4.472 3.668 1.00 11.32 C ATOM 274 CG1 ILE A 28 -10.488 -5.061 5.057 1.00 11.76 C ATOM 275 CG2 ILE A 28 -12.242 -4.447 3.338 1.00 12.48 C ATOM 276 CD1 ILE A 28 -10.818 -6.497 5.183 1.00 12.76 C ATOM 277 H ILE A 28 -8.079 -4.446 3.264 1.00 0.00 H ATOM 278 N ASN A 29 -9.513 -3.554 0.881 1.00 11.42 N ATOM 279 CA ASN A 29 -9.649 -2.902 -0.420 1.00 13.29 C ATOM 280 C ASN A 29 -8.359 -2.210 -0.770 1.00 12.37 C ATOM 281 O ASN A 29 -7.591 -1.857 0.123 1.00 12.19 O ATOM 282 CB ASN A 29 -10.782 -1.856 -0.389 1.00 15.19 C ATOM 283 CG ASN A 29 -11.105 -1.312 -1.747 1.00 18.06 C ATOM 284 OD1 ASN A 29 -11.289 -2.066 -2.699 1.00 18.04 O ATOM 285 ND2 ASN A 29 -11.150 0.006 -1.854 1.00 18.50 N ATOM 286 HD22 ASN A 29 -10.987 0.602 -1.017 1.00 0.00 H ATOM 287 HD21 ASN A 29 -11.348 0.446 -2.775 1.00 0.00 H ATOM 288 H ASN A 29 -8.841 -3.165 1.573 1.00 0.00 H ATOM 289 N ILE A 30 -8.128 -2.032 -2.074 1.00 12.61 N ATOM 290 CA ILE A 30 -6.966 -1.330 -2.604 1.00 13.76 C ATOM 291 C ILE A 30 -7.458 -0.406 -3.680 1.00 15.97 C ATOM 292 O ILE A 30 -8.264 -0.804 -4.530 1.00 17.57 O ATOM 293 CB ILE A 30 -5.935 -2.265 -3.252 1.00 14.97 C ATOM 294 CG1 ILE A 30 -5.486 -3.329 -2.263 1.00 15.43 C ATOM 295 CG2 ILE A 30 -4.709 -1.472 -3.692 1.00 15.87 C ATOM 296 CD1 ILE A 30 -4.480 -4.322 -2.822 1.00 15.45 C ATOM 297 H ILE A 30 -8.818 -2.417 -2.750 1.00 0.00 H ATOM 298 N ARG A 31 -6.990 0.830 -3.649 1.00 15.98 N ATOM 299 CA ARG A 31 -7.377 1.765 -4.691 1.00 19.04 C ATOM 300 C ARG A 31 -6.193 2.625 -5.075 1.00 17.81 C ATOM 301 O ARG A 31 -5.405 3.027 -4.223 1.00 17.54 O ATOM 302 CB ARG A 31 -8.547 2.626 -4.233 1.00 22.89 C ATOM 303 CG ARG A 31 -8.193 3.628 -3.189 1.00 26.03 C ATOM 304 CD ARG A 31 -9.428 4.403 -2.734 1.00 29.00 C ATOM 305 NE ARG A 31 -9.602 5.656 -3.472 1.00 31.77 N ATOM 306 CZ ARG A 31 -10.527 5.887 -4.405 1.00 33.95 C ATOM 307 NH1 ARG A 31 -11.413 4.964 -4.755 1.00 34.91 N ATOM 308 NH2 ARG A 31 -10.571 7.070 -4.997 1.00 35.09 N ATOM 309 HE ARG A 31 -8.948 6.433 -3.249 1.00 0.00 H ATOM 310 HH12 ARG A 31 -12.122 5.175 -5.486 1.00 0.00 H ATOM 311 HH11 ARG A 31 -11.399 4.030 -4.298 1.00 0.00 H ATOM 312 HH22 ARG A 31 -11.288 7.260 -5.726 1.00 0.00 H ATOM 313 HH21 ARG A 31 -9.888 7.809 -4.733 1.00 0.00 H ATOM 314 H ARG A 31 -6.351 1.130 -2.886 1.00 0.00 H ATOM 315 N PRO A 32 -6.050 2.898 -6.370 1.00 17.44 N ATOM 316 CA PRO A 32 -4.979 3.804 -6.766 1.00 18.57 C ATOM 317 C PRO A 32 -5.278 5.221 -6.322 1.00 21.86 C ATOM 318 O PRO A 32 -6.443 5.622 -6.313 1.00 22.13 O ATOM 319 CB PRO A 32 -5.006 3.736 -8.299 1.00 18.49 C ATOM 320 CG PRO A 32 -5.934 2.615 -8.666 1.00 18.42 C ATOM 321 CD PRO A 32 -6.874 2.493 -7.523 1.00 16.89 C ATOM 322 N ILE A 33 -4.240 5.956 -5.942 1.00 25.40 N ATOM 323 CA ILE A 33 -4.381 7.368 -5.633 1.00 30.37 C ATOM 324 C ILE A 33 -4.027 8.131 -6.876 1.00 34.25 C ATOM 325 O ILE A 33 -3.197 7.678 -7.659 1.00 34.87 O ATOM 326 CB ILE A 33 -3.463 7.792 -4.468 1.00 31.33 C ATOM 327 CG1 ILE A 33 -4.026 7.199 -3.175 1.00 32.03 C ATOM 328 CG2 ILE A 33 -3.297 9.320 -4.417 1.00 32.37 C ATOM 329 CD1 ILE A 33 -3.673 7.937 -1.929 1.00 32.38 C ATOM 330 H ILE A 33 -3.304 5.510 -5.864 1.00 0.00 H ATOM 331 N THR A 34 -4.657 9.291 -7.047 1.00 37.27 N ATOM 332 CA THR A 34 -4.371 10.174 -8.170 1.00 39.77 C ATOM 333 C THR A 34 -2.941 10.713 -8.067 1.00 41.80 C ATOM 334 O THR A 34 -2.572 11.311 -7.055 1.00 41.99 O ATOM 335 CB THR A 34 -5.362 11.362 -8.206 1.00 40.01 C ATOM 336 OG1 THR A 34 -6.712 10.871 -8.255 1.00 39.93 O ATOM 337 CG2 THR A 34 -5.100 12.243 -9.418 1.00 39.95 C ATOM 338 HG1 THR A 34 -6.891 10.320 -7.452 1.00 0.00 H ATOM 339 H THR A 34 -5.379 9.577 -6.355 1.00 0.00 H ATOM 340 N THR A 35 -2.149 10.507 -9.119 1.00 43.50 N ATOM 341 CA THR A 35 -0.738 10.895 -9.111 1.00 45.29 C ATOM 342 C THR A 35 -0.378 11.901 -10.206 1.00 46.03 C ATOM 343 O THR A 35 0.030 13.026 -9.908 1.00 46.79 O ATOM 344 CB THR A 35 0.177 9.654 -9.232 1.00 46.17 C ATOM 345 OG1 THR A 35 -0.245 8.841 -10.336 1.00 46.68 O ATOM 346 CG2 THR A 35 0.122 8.833 -7.955 1.00 46.39 C ATOM 347 HG1 THR A 35 -1.178 8.546 -10.189 1.00 0.00 H ATOM 348 H THR A 35 -2.545 10.058 -9.969 1.00 0.00 H ATOM 349 N GLY A 36 -0.533 11.495 -11.464 1.00 45.89 N ATOM 350 CA GLY A 36 -0.116 12.304 -12.600 1.00 45.47 C ATOM 351 C GLY A 36 1.115 11.704 -13.257 1.00 44.93 C ATOM 352 O GLY A 36 1.195 10.489 -13.433 1.00 44.98 O ATOM 353 H GLY A 36 -0.967 10.567 -11.642 1.00 0.00 H ATOM 354 N ASN A 37 2.080 12.549 -13.612 1.00 44.25 N ATOM 355 CA ASN A 37 3.328 12.072 -14.204 1.00 43.53 C ATOM 356 C ASN A 37 4.260 11.513 -13.138 1.00 42.07 C ATOM 357 O ASN A 37 5.291 12.106 -12.819 1.00 42.36 O ATOM 358 CB ASN A 37 4.036 13.190 -14.973 1.00 44.18 C ATOM 359 CG ASN A 37 5.274 12.701 -15.708 1.00 44.47 C ATOM 360 OD1 ASN A 37 5.403 11.515 -16.009 1.00 44.64 O ATOM 361 ND2 ASN A 37 6.194 13.615 -15.993 1.00 44.54 N ATOM 362 HD22 ASN A 37 6.044 14.607 -15.720 1.00 0.00 H ATOM 363 HD21 ASN A 37 7.065 13.339 -16.490 1.00 0.00 H ATOM 364 H ASN A 37 1.943 13.569 -13.465 1.00 0.00 H ATOM 365 N SER A 38 3.881 10.368 -12.586 1.00 40.24 N ATOM 366 CA SER A 38 4.684 9.685 -11.585 1.00 38.08 C ATOM 367 C SER A 38 4.040 8.334 -11.322 1.00 35.25 C ATOM 368 O SER A 38 2.848 8.160 -11.588 1.00 35.14 O ATOM 369 CB SER A 38 4.756 10.500 -10.294 1.00 38.77 C ATOM 370 OG SER A 38 3.462 10.786 -9.798 1.00 39.10 O ATOM 371 HG SER A 38 3.539 11.313 -8.964 1.00 0.00 H ATOM 372 H SER A 38 2.978 9.944 -12.880 1.00 0.00 H ATOM 373 N PRO A 39 4.821 7.370 -10.804 1.00 32.34 N ATOM 374 CA PRO A 39 4.273 6.023 -10.613 1.00 30.37 C ATOM 375 C PRO A 39 2.997 6.065 -9.784 1.00 28.13 C ATOM 376 O PRO A 39 2.873 6.931 -8.912 1.00 28.41 O ATOM 377 CB PRO A 39 5.390 5.289 -9.854 1.00 30.84 C ATOM 378 CG PRO A 39 6.631 6.035 -10.208 1.00 31.30 C ATOM 379 CD PRO A 39 6.228 7.464 -10.374 1.00 31.83 C ATOM 380 N PRO A 40 2.050 5.160 -10.060 1.00 25.57 N ATOM 381 CA PRO A 40 0.849 5.166 -9.228 1.00 23.76 C ATOM 382 C PRO A 40 1.209 4.892 -7.792 1.00 21.19 C ATOM 383 O PRO A 40 2.255 4.302 -7.518 1.00 20.01 O ATOM 384 CB PRO A 40 0.020 4.010 -9.793 1.00 24.71 C ATOM 385 CG PRO A 40 1.011 3.115 -10.445 1.00 25.12 C ATOM 386 CD PRO A 40 2.055 4.034 -11.010 1.00 25.47 C ATOM 387 N ARG A 41 0.369 5.344 -6.878 1.00 21.00 N ATOM 388 CA ARG A 41 0.497 4.933 -5.500 1.00 20.78 C ATOM 389 C ARG A 41 -0.805 4.260 -5.099 1.00 18.54 C ATOM 390 O ARG A 41 -1.897 4.625 -5.555 1.00 20.00 O ATOM 391 CB ARG A 41 0.854 6.096 -4.564 1.00 23.99 C ATOM 392 CG ARG A 41 1.332 5.601 -3.193 1.00 27.10 C ATOM 393 CD ARG A 41 1.931 6.694 -2.330 1.00 28.81 C ATOM 394 NE ARG A 41 3.252 7.145 -2.765 1.00 29.52 N ATOM 395 CZ ARG A 41 4.402 6.567 -2.428 1.00 30.21 C ATOM 396 NH1 ARG A 41 4.429 5.475 -1.672 1.00 30.16 N ATOM 397 NH2 ARG A 41 5.539 7.078 -2.867 1.00 30.83 N ATOM 398 HE ARG A 41 3.296 7.980 -3.384 1.00 0.00 H ATOM 399 HH12 ARG A 41 5.339 5.039 -1.420 1.00 0.00 H ATOM 400 HH11 ARG A 41 3.540 5.056 -1.332 1.00 0.00 H ATOM 401 HH22 ARG A 41 6.443 6.633 -2.609 1.00 0.00 H ATOM 402 HH21 ARG A 41 5.530 7.925 -3.471 1.00 0.00 H ATOM 403 H ARG A 41 -0.389 6.000 -7.153 1.00 0.00 H ATOM 404 N TYR A 42 -0.679 3.245 -4.266 1.00 15.37 N ATOM 405 CA TYR A 42 -1.833 2.488 -3.827 1.00 13.39 C ATOM 406 C TYR A 42 -2.131 2.734 -2.365 1.00 12.94 C ATOM 407 O TYR A 42 -1.235 2.652 -1.513 1.00 14.21 O ATOM 408 CB TYR A 42 -1.627 0.997 -4.086 1.00 13.03 C ATOM 409 CG TYR A 42 -1.487 0.720 -5.562 1.00 12.69 C ATOM 410 CD1 TYR A 42 -2.597 0.704 -6.389 1.00 13.29 C ATOM 411 CD2 TYR A 42 -0.251 0.492 -6.138 1.00 13.28 C ATOM 412 CE1 TYR A 42 -2.487 0.485 -7.747 1.00 12.86 C ATOM 413 CE2 TYR A 42 -0.132 0.269 -7.498 1.00 13.38 C ATOM 414 CZ TYR A 42 -1.252 0.250 -8.293 1.00 13.33 C ATOM 415 OH TYR A 42 -1.141 0.035 -9.650 1.00 14.53 O ATOM 416 HH TYR A 42 -0.723 -0.848 -9.810 1.00 0.00 H ATOM 417 H TYR A 42 0.266 2.984 -3.918 1.00 0.00 H ATOM 418 N ARG A 43 -3.402 3.031 -2.106 1.00 12.10 N ATOM 419 CA ARG A 43 -3.935 3.196 -0.764 1.00 11.56 C ATOM 420 C ARG A 43 -4.707 1.939 -0.392 1.00 10.94 C ATOM 421 O ARG A 43 -5.405 1.372 -1.236 1.00 12.43 O ATOM 422 CB ARG A 43 -4.841 4.427 -0.708 1.00 13.89 C ATOM 423 CG ARG A 43 -5.439 4.698 0.634 1.00 15.53 C ATOM 424 CD ARG A 43 -6.179 6.030 0.627 1.00 17.38 C ATOM 425 NE ARG A 43 -6.773 6.274 1.932 1.00 19.43 N ATOM 426 CZ ARG A 43 -7.549 7.304 2.226 1.00 21.47 C ATOM 427 NH1 ARG A 43 -7.838 8.201 1.294 1.00 22.29 N ATOM 428 NH2 ARG A 43 -8.037 7.425 3.450 1.00 22.19 N ATOM 429 HE ARG A 43 -6.573 5.589 2.689 1.00 0.00 H ATOM 430 HH12 ARG A 43 -8.448 9.011 1.524 1.00 0.00 H ATOM 431 HH11 ARG A 43 -7.455 8.094 0.333 1.00 0.00 H ATOM 432 HH22 ARG A 43 -8.648 8.232 3.689 1.00 0.00 H ATOM 433 HH21 ARG A 43 -7.810 6.713 4.173 1.00 0.00 H ATOM 434 H ARG A 43 -4.051 3.152 -2.910 1.00 0.00 H ATOM 435 N LEU A 44 -4.556 1.488 0.855 1.00 10.10 N ATOM 436 CA LEU A 44 -5.169 0.244 1.314 1.00 10.06 C ATOM 437 C LEU A 44 -6.032 0.464 2.531 1.00 10.30 C ATOM 438 O LEU A 44 -5.664 1.177 3.463 1.00 11.04 O ATOM 439 CB LEU A 44 -4.108 -0.804 1.668 1.00 11.31 C ATOM 440 CG LEU A 44 -3.197 -1.227 0.522 1.00 13.13 C ATOM 441 CD1 LEU A 44 -2.012 -0.302 0.384 1.00 16.01 C ATOM 442 CD2 LEU A 44 -2.723 -2.638 0.734 1.00 14.37 C ATOM 443 H LEU A 44 -3.982 2.041 1.523 1.00 0.00 H ATOM 444 N LEU A 45 -7.198 -0.172 2.488 1.00 10.19 N ATOM 445 CA LEU A 45 -8.044 -0.351 3.659 1.00 9.94 C ATOM 446 C LEU A 45 -7.659 -1.702 4.236 1.00 9.04 C ATOM 447 O LEU A 45 -7.835 -2.724 3.574 1.00 9.91 O ATOM 448 CB LEU A 45 -9.505 -0.329 3.239 1.00 11.20 C ATOM 449 CG LEU A 45 -10.535 -0.580 4.348 1.00 11.46 C ATOM 450 CD1 LEU A 45 -10.518 0.525 5.397 1.00 12.67 C ATOM 451 CD2 LEU A 45 -11.946 -0.754 3.758 1.00 12.86 C ATOM 452 H LEU A 45 -7.520 -0.559 1.578 1.00 0.00 H ATOM 453 N MET A 46 -7.093 -1.693 5.443 1.00 8.51 N ATOM 454 CA MET A 46 -6.551 -2.876 6.116 1.00 8.04 C ATOM 455 C MET A 46 -7.360 -3.179 7.367 1.00 7.88 C ATOM 456 O MET A 46 -7.913 -2.272 7.974 1.00 9.77 O ATOM 457 CB MET A 46 -5.098 -2.624 6.554 1.00 9.82 C ATOM 458 CG MET A 46 -4.145 -2.211 5.421 1.00 10.69 C ATOM 459 SD MET A 46 -3.922 -3.482 4.157 1.00 10.57 S ATOM 460 CE MET A 46 -3.119 -4.770 5.083 1.00 11.10 C ATOM 461 H MET A 46 -7.032 -0.782 5.942 1.00 0.00 H ATOM 462 N SER A 47 -7.338 -4.436 7.780 1.00 7.87 N ATOM 463 CA SER A 47 -8.004 -4.901 8.976 1.00 8.33 C ATOM 464 C SER A 47 -7.043 -5.688 9.851 1.00 8.29 C ATOM 465 O SER A 47 -6.288 -6.506 9.352 1.00 9.44 O ATOM 466 CB SER A 47 -9.162 -5.811 8.593 1.00 8.80 C ATOM 467 OG SER A 47 -9.697 -6.466 9.741 1.00 9.95 O ATOM 468 HG SER A 47 -10.447 -7.051 9.466 1.00 0.00 H ATOM 469 H SER A 47 -6.811 -5.129 7.211 1.00 0.00 H ATOM 470 N ASP A 48 -7.145 -5.484 11.155 1.00 9.57 N ATOM 471 CA ASP A 48 -6.450 -6.337 12.110 1.00 10.91 C ATOM 472 C ASP A 48 -7.416 -7.294 12.814 1.00 12.37 C ATOM 473 O ASP A 48 -7.047 -7.948 13.793 1.00 13.95 O ATOM 474 CB ASP A 48 -5.642 -5.520 13.123 1.00 12.09 C ATOM 475 CG ASP A 48 -6.507 -4.763 14.105 1.00 12.82 C ATOM 476 OD1 ASP A 48 -7.755 -4.828 13.992 1.00 13.30 O ATOM 477 OD2 ASP A 48 -5.919 -4.104 14.999 1.00 13.22 O ATOM 478 H ASP A 48 -7.732 -4.700 11.504 1.00 0.00 H ATOM 479 N GLY A 49 -8.641 -7.376 12.295 1.00 12.10 N ATOM 480 CA GLY A 49 -9.679 -8.210 12.882 1.00 14.20 C ATOM 481 C GLY A 49 -10.599 -7.490 13.851 1.00 16.36 C ATOM 482 O GLY A 49 -11.749 -7.891 14.034 1.00 18.95 O ATOM 483 H GLY A 49 -8.863 -6.825 11.441 1.00 0.00 H ATOM 484 N LEU A 50 -10.093 -6.444 14.487 1.00 15.46 N ATOM 485 CA LEU A 50 -10.915 -5.606 15.373 1.00 16.03 C ATOM 486 C LEU A 50 -11.296 -4.305 14.707 1.00 13.59 C ATOM 487 O LEU A 50 -12.450 -3.861 14.819 1.00 14.18 O ATOM 488 CB LEU A 50 -10.172 -5.279 16.652 1.00 18.93 C ATOM 489 CG LEU A 50 -9.892 -6.463 17.570 1.00 21.12 C ATOM 490 CD1 LEU A 50 -9.293 -5.937 18.857 1.00 22.29 C ATOM 491 CD2 LEU A 50 -11.131 -7.311 17.849 1.00 21.75 C ATOM 492 H LEU A 50 -9.088 -6.209 14.356 1.00 0.00 H ATOM 493 N ASN A 51 -10.321 -3.691 14.034 1.00 12.19 N ATOM 494 CA ASN A 51 -10.532 -2.433 13.341 1.00 11.71 C ATOM 495 C ASN A 51 -10.151 -2.526 11.882 1.00 10.67 C ATOM 496 O ASN A 51 -9.304 -3.330 11.499 1.00 11.02 O ATOM 497 CB ASN A 51 -9.664 -1.338 13.948 1.00 12.65 C ATOM 498 CG ASN A 51 -10.133 -0.913 15.310 1.00 13.94 C ATOM 499 OD1 ASN A 51 -9.385 -0.987 16.282 1.00 15.35 O ATOM 500 ND2 ASN A 51 -11.360 -0.416 15.380 1.00 13.48 N ATOM 501 HD22 ASN A 51 -11.954 -0.375 14.527 1.00 0.00 H ATOM 502 HD21 ASN A 51 -11.729 -0.067 16.288 1.00 0.00 H ATOM 503 H ASN A 51 -9.378 -4.129 14.005 1.00 0.00 H ATOM 504 N THR A 52 -10.776 -1.654 11.093 1.00 11.66 N ATOM 505 CA THR A 52 -10.270 -1.315 9.778 1.00 12.14 C ATOM 506 C THR A 52 -9.697 0.093 9.802 1.00 12.97 C ATOM 507 O THR A 52 -10.086 0.927 10.633 1.00 14.19 O ATOM 508 CB THR A 52 -11.359 -1.370 8.681 1.00 13.84 C ATOM 509 OG1 THR A 52 -12.408 -0.461 9.008 1.00 14.75 O ATOM 510 CG2 THR A 52 -11.928 -2.754 8.551 1.00 14.54 C ATOM 511 HG1 THR A 52 -13.105 -0.497 8.306 1.00 0.00 H ATOM 512 H THR A 52 -11.651 -1.204 11.430 1.00 0.00 H ATOM 513 N LEU A 53 -8.791 0.354 8.870 1.00 12.62 N ATOM 514 CA LEU A 53 -8.202 1.668 8.743 1.00 13.54 C ATOM 515 C LEU A 53 -7.730 1.851 7.322 1.00 11.58 C ATOM 516 O LEU A 53 -7.097 0.970 6.780 1.00 10.04 O ATOM 517 CB LEU A 53 -7.033 1.766 9.696 1.00 15.89 C ATOM 518 CG LEU A 53 -6.214 3.036 9.571 1.00 18.18 C ATOM 519 CD1 LEU A 53 -7.070 4.263 9.910 1.00 20.34 C ATOM 520 CD2 LEU A 53 -4.977 2.916 10.447 1.00 18.28 C ATOM 521 H LEU A 53 -8.498 -0.401 8.218 1.00 0.00 H ATOM 522 N SER A 54 -8.029 3.002 6.723 1.00 12.55 N ATOM 523 CA SER A 54 -7.708 3.243 5.324 1.00 14.47 C ATOM 524 C SER A 54 -6.483 4.130 5.129 1.00 13.48 C ATOM 525 O SER A 54 -6.200 4.550 4.014 1.00 14.77 O ATOM 526 CB SER A 54 -8.883 3.904 4.616 1.00 17.99 C ATOM 527 OG SER A 54 -9.110 5.170 5.184 1.00 20.43 O ATOM 528 HG SER A 54 -9.316 5.066 6.147 1.00 0.00 H ATOM 529 H SER A 54 -8.504 3.748 7.269 1.00 0.00 H ATOM 530 N SER A 55 -5.724 4.367 6.189 1.00 12.28 N ATOM 531 CA SER A 55 -4.590 5.277 6.134 1.00 12.65 C ATOM 532 C SER A 55 -3.272 4.572 5.832 1.00 12.66 C ATOM 533 O SER A 55 -2.253 4.931 6.339 1.00 14.71 O ATOM 534 CB SER A 55 -4.502 6.016 7.470 1.00 14.74 C ATOM 535 OG SER A 55 -5.742 6.648 7.765 1.00 16.49 O ATOM 536 HG SER A 55 -5.672 7.122 8.631 1.00 0.00 H ATOM 537 H SER A 55 -5.945 3.889 7.086 1.00 0.00 H ATOM 538 N PHE A 56 -3.313 3.567 4.988 1.00 11.37 N ATOM 539 CA PHE A 56 -2.122 2.846 4.569 1.00 10.99 C ATOM 540 C PHE A 56 -1.817 3.140 3.125 1.00 11.34 C ATOM 541 O PHE A 56 -2.714 3.176 2.262 1.00 11.58 O ATOM 542 CB PHE A 56 -2.346 1.344 4.664 1.00 10.74 C ATOM 543 CG PHE A 56 -2.476 0.832 6.064 1.00 10.84 C ATOM 544 CD1 PHE A 56 -3.703 0.764 6.676 1.00 13.28 C ATOM 545 CD2 PHE A 56 -1.364 0.396 6.766 1.00 11.32 C ATOM 546 CE1 PHE A 56 -3.829 0.278 7.961 1.00 14.36 C ATOM 547 CE2 PHE A 56 -1.477 -0.086 8.052 1.00 12.81 C ATOM 548 CZ PHE A 56 -2.713 -0.149 8.650 1.00 13.84 C ATOM 549 H PHE A 56 -4.234 3.275 4.604 1.00 0.00 H ATOM 550 N MET A 57 -0.541 3.323 2.847 1.00 11.71 N ATOM 551 CA MET A 57 -0.091 3.412 1.475 1.00 13.80 C ATOM 552 C MET A 57 1.055 2.480 1.249 1.00 12.65 C ATOM 553 O MET A 57 1.847 2.223 2.131 1.00 12.62 O ATOM 554 CB MET A 57 0.323 4.825 1.182 1.00 18.84 C ATOM 555 CG MET A 57 -0.821 5.717 1.502 1.00 23.57 C ATOM 556 SD MET A 57 -1.278 6.675 0.112 1.00 28.54 S ATOM 557 CE MET A 57 0.053 7.801 0.363 1.00 28.58 C ATOM 558 H MET A 57 0.148 3.404 3.621 1.00 0.00 H ATOM 559 N LEU A 58 1.141 1.967 0.036 1.00 11.87 N ATOM 560 CA LEU A 58 2.209 1.062 -0.317 1.00 12.95 C ATOM 561 C LEU A 58 3.430 1.837 -0.818 1.00 12.60 C ATOM 562 O LEU A 58 3.297 2.760 -1.611 1.00 13.05 O ATOM 563 CB LEU A 58 1.680 0.150 -1.413 1.00 15.13 C ATOM 564 CG LEU A 58 2.396 -1.147 -1.662 1.00 17.77 C ATOM 565 CD1 LEU A 58 2.262 -2.061 -0.464 1.00 19.09 C ATOM 566 CD2 LEU A 58 1.795 -1.769 -2.883 1.00 18.88 C ATOM 567 H LEU A 58 0.427 2.219 -0.677 1.00 0.00 H ATOM 568 N ALA A 59 4.622 1.470 -0.359 1.00 12.80 N ATOM 569 CA ALA A 59 5.841 1.951 -1.002 1.00 13.82 C ATOM 570 C ALA A 59 5.791 1.595 -2.486 1.00 13.29 C ATOM 571 O ALA A 59 5.350 0.516 -2.856 1.00 12.64 O ATOM 572 CB ALA A 59 7.046 1.310 -0.351 1.00 14.46 C ATOM 573 H ALA A 59 4.687 0.836 0.463 1.00 0.00 H ATOM 574 N THR A 60 6.272 2.482 -3.352 1.00 13.55 N ATOM 575 CA THR A 60 6.127 2.242 -4.781 1.00 14.45 C ATOM 576 C THR A 60 6.921 1.031 -5.242 1.00 13.41 C ATOM 577 O THR A 60 6.544 0.411 -6.216 1.00 12.69 O ATOM 578 CB THR A 60 6.498 3.469 -5.599 1.00 18.27 C ATOM 579 OG1 THR A 60 7.857 3.799 -5.347 1.00 19.48 O ATOM 580 CG2 THR A 60 5.620 4.640 -5.200 1.00 19.64 C ATOM 581 HG1 THR A 60 8.105 4.598 -5.877 1.00 0.00 H ATOM 582 H THR A 60 6.748 3.341 -3.011 1.00 0.00 H ATOM 583 N GLN A 61 7.977 0.668 -4.519 1.00 13.03 N ATOM 584 CA GLN A 61 8.735 -0.541 -4.844 1.00 14.32 C ATOM 585 C GLN A 61 7.864 -1.797 -4.781 1.00 14.39 C ATOM 586 O GLN A 61 8.183 -2.799 -5.418 1.00 16.06 O ATOM 587 CB GLN A 61 9.939 -0.696 -3.905 1.00 16.47 C ATOM 588 CG GLN A 61 9.590 -0.942 -2.440 1.00 19.51 C ATOM 589 CD GLN A 61 10.785 -0.773 -1.512 1.00 21.55 C ATOM 590 OE1 GLN A 61 11.879 -0.417 -1.947 1.00 22.36 O ATOM 591 NE2 GLN A 61 10.577 -1.037 -0.222 1.00 23.04 N ATOM 592 HE22 GLN A 61 9.635 -1.335 0.102 1.00 0.00 H ATOM 593 HE21 GLN A 61 11.357 -0.945 0.460 1.00 0.00 H ATOM 594 H GLN A 61 8.269 1.253 -3.710 1.00 0.00 H ATOM 595 N LEU A 62 6.766 -1.742 -4.032 1.00 12.78 N ATOM 596 CA LEU A 62 5.865 -2.886 -3.907 1.00 12.81 C ATOM 597 C LEU A 62 4.719 -2.878 -4.916 1.00 12.02 C ATOM 598 O LEU A 62 3.909 -3.788 -4.921 1.00 12.29 O ATOM 599 CB LEU A 62 5.293 -2.966 -2.502 1.00 14.65 C ATOM 600 CG LEU A 62 6.304 -3.041 -1.369 1.00 17.45 C ATOM 601 CD1 LEU A 62 5.571 -3.133 -0.025 1.00 19.13 C ATOM 602 CD2 LEU A 62 7.221 -4.229 -1.577 1.00 18.62 C ATOM 603 H LEU A 62 6.543 -0.863 -3.523 1.00 0.00 H ATOM 604 N ASN A 63 4.675 -1.881 -5.795 1.00 11.54 N ATOM 605 CA ASN A 63 3.606 -1.806 -6.771 1.00 11.47 C ATOM 606 C ASN A 63 3.396 -3.087 -7.581 1.00 10.98 C ATOM 607 O ASN A 63 2.255 -3.426 -7.880 1.00 11.02 O ATOM 608 CB ASN A 63 3.782 -0.626 -7.737 1.00 12.23 C ATOM 609 CG ASN A 63 3.436 0.710 -7.114 1.00 12.90 C ATOM 610 OD1 ASN A 63 3.114 0.815 -5.930 1.00 12.93 O ATOM 611 ND2 ASN A 63 3.533 1.756 -7.913 1.00 13.97 N ATOM 612 HD22 ASN A 63 3.808 1.627 -8.908 1.00 0.00 H ATOM 613 HD21 ASN A 63 3.335 2.709 -7.548 1.00 0.00 H ATOM 614 H ASN A 63 5.414 -1.149 -5.782 1.00 0.00 H ATOM 615 N PRO A 64 4.482 -3.788 -7.955 1.00 11.51 N ATOM 616 CA PRO A 64 4.276 -5.020 -8.722 1.00 11.93 C ATOM 617 C PRO A 64 3.410 -6.053 -7.999 1.00 10.71 C ATOM 618 O PRO A 64 2.736 -6.858 -8.655 1.00 11.78 O ATOM 619 CB PRO A 64 5.702 -5.546 -8.941 1.00 13.03 C ATOM 620 CG PRO A 64 6.558 -4.316 -8.913 1.00 13.36 C ATOM 621 CD PRO A 64 5.906 -3.416 -7.894 1.00 12.78 C ATOM 622 N LEU A 65 3.387 -6.047 -6.670 1.00 11.11 N ATOM 623 CA LEU A 65 2.546 -7.009 -5.974 1.00 11.10 C ATOM 624 C LEU A 65 1.058 -6.774 -6.283 1.00 11.05 C ATOM 625 O LEU A 65 0.285 -7.729 -6.382 1.00 11.70 O ATOM 626 CB LEU A 65 2.810 -6.988 -4.462 1.00 11.43 C ATOM 627 CG LEU A 65 3.996 -7.820 -3.929 1.00 11.95 C ATOM 628 CD1 LEU A 65 5.333 -7.423 -4.552 1.00 12.11 C ATOM 629 CD2 LEU A 65 4.084 -7.730 -2.417 1.00 12.17 C ATOM 630 H LEU A 65 3.962 -5.365 -6.135 1.00 0.00 H ATOM 631 N VAL A 66 0.676 -5.518 -6.437 1.00 10.68 N ATOM 632 CA VAL A 66 -0.707 -5.161 -6.747 1.00 11.42 C ATOM 633 C VAL A 66 -0.954 -5.402 -8.235 1.00 11.37 C ATOM 634 O VAL A 66 -1.963 -5.990 -8.645 1.00 12.59 O ATOM 635 CB VAL A 66 -0.994 -3.685 -6.409 1.00 12.78 C ATOM 636 CG1 VAL A 66 -2.375 -3.252 -6.903 1.00 12.99 C ATOM 637 CG2 VAL A 66 -0.862 -3.450 -4.921 1.00 13.28 C ATOM 638 H VAL A 66 1.381 -4.761 -6.334 1.00 0.00 H ATOM 639 N GLU A 67 -0.019 -4.951 -9.065 1.00 11.68 N ATOM 640 CA GLU A 67 -0.198 -5.015 -10.503 1.00 13.36 C ATOM 641 C GLU A 67 -0.197 -6.428 -11.055 1.00 13.52 C ATOM 642 O GLU A 67 -0.853 -6.683 -12.060 1.00 15.21 O ATOM 643 CB GLU A 67 0.826 -4.118 -11.171 1.00 15.75 C ATOM 644 CG GLU A 67 0.475 -2.673 -10.815 1.00 16.91 C ATOM 645 CD GLU A 67 1.553 -1.646 -11.087 1.00 18.25 C ATOM 646 OE1 GLU A 67 2.629 -2.002 -11.626 1.00 19.86 O ATOM 647 OE2 GLU A 67 1.293 -0.460 -10.746 1.00 17.65 O ATOM 648 H GLU A 67 0.856 -4.545 -8.677 1.00 0.00 H ATOM 649 N GLU A 68 0.494 -7.343 -10.377 1.00 13.28 N ATOM 650 CA GLU A 68 0.493 -8.751 -10.766 1.00 14.84 C ATOM 651 C GLU A 68 -0.489 -9.589 -9.935 1.00 15.48 C ATOM 652 O GLU A 68 -0.511 -10.811 -10.039 1.00 15.07 O ATOM 653 CB GLU A 68 1.915 -9.298 -10.708 1.00 15.47 C ATOM 654 CG GLU A 68 2.832 -8.507 -11.644 1.00 15.50 C ATOM 655 CD GLU A 68 4.217 -9.102 -11.812 1.00 16.84 C ATOM 656 OE1 GLU A 68 5.159 -8.322 -12.083 1.00 18.44 O ATOM 657 OE2 GLU A 68 4.366 -10.337 -11.679 1.00 17.68 O ATOM 658 H GLU A 68 1.049 -7.047 -9.549 1.00 0.00 H ATOM 659 N GLU A 69 -1.303 -8.916 -9.123 1.00 17.09 N ATOM 660 CA GLU A 69 -2.453 -9.525 -8.446 1.00 18.67 C ATOM 661 C GLU A 69 -2.090 -10.528 -7.357 1.00 18.65 C ATOM 662 O GLU A 69 -2.873 -11.455 -7.081 1.00 20.92 O ATOM 663 CB GLU A 69 -3.404 -10.189 -9.446 1.00 21.09 C ATOM 664 CG GLU A 69 -4.091 -9.229 -10.374 1.00 24.36 C ATOM 665 CD GLU A 69 -5.103 -9.926 -11.242 1.00 27.75 C ATOM 666 OE1 GLU A 69 -6.276 -10.037 -10.828 1.00 29.43 O ATOM 667 OE2 GLU A 69 -4.726 -10.379 -12.340 1.00 28.76 O ATOM 668 H GLU A 69 -1.113 -7.906 -8.961 1.00 0.00 H ATOM 669 N GLN A 70 -0.909 -10.383 -6.762 1.00 17.28 N ATOM 670 CA GLN A 70 -0.546 -11.201 -5.601 1.00 17.00 C ATOM 671 C GLN A 70 -1.039 -10.547 -4.329 1.00 16.58 C ATOM 672 O GLN A 70 -1.314 -11.225 -3.346 1.00 16.49 O ATOM 673 CB GLN A 70 0.958 -11.393 -5.447 1.00 17.91 C ATOM 674 CG GLN A 70 1.585 -12.343 -6.436 1.00 18.91 C ATOM 675 CD GLN A 70 2.286 -11.612 -7.542 1.00 19.63 C ATOM 676 OE1 GLN A 70 2.120 -10.404 -7.694 1.00 19.74 O ATOM 677 NE2 GLN A 70 3.084 -12.338 -8.324 1.00 20.27 N ATOM 678 HE22 GLN A 70 3.191 -13.358 -8.154 1.00 0.00 H ATOM 679 HE21 GLN A 70 3.600 -11.884 -9.105 1.00 0.00 H ATOM 680 H GLN A 70 -0.234 -9.680 -7.125 1.00 0.00 H ATOM 681 N LEU A 71 -1.124 -9.217 -4.342 1.00 16.80 N ATOM 682 CA LEU A 71 -1.672 -8.431 -3.237 1.00 17.20 C ATOM 683 C LEU A 71 -3.022 -7.866 -3.688 1.00 16.42 C ATOM 684 O LEU A 71 -3.074 -6.983 -4.536 1.00 16.78 O ATOM 685 CB LEU A 71 -0.701 -7.302 -2.871 1.00 19.04 C ATOM 686 CG LEU A 71 -1.002 -6.448 -1.627 1.00 20.41 C ATOM 687 CD1 LEU A 71 -0.921 -7.244 -0.367 1.00 21.53 C ATOM 688 CD2 LEU A 71 -0.043 -5.289 -1.540 1.00 20.58 C ATOM 689 H LEU A 71 -0.782 -8.711 -5.184 1.00 0.00 H ATOM 690 N SER A 72 -4.112 -8.381 -3.121 1.00 15.74 N ATOM 691 CA SER A 72 -5.461 -7.966 -3.509 1.00 15.22 C ATOM 692 C SER A 72 -6.448 -8.154 -2.371 1.00 12.73 C ATOM 693 O SER A 72 -6.136 -8.790 -1.367 1.00 11.92 O ATOM 694 CB SER A 72 -5.939 -8.756 -4.718 1.00 17.80 C ATOM 695 OG SER A 72 -6.040 -10.115 -4.382 1.00 18.96 O ATOM 696 HG SER A 72 -6.351 -10.626 -5.170 1.00 0.00 H ATOM 697 H SER A 72 -4.001 -9.101 -2.379 1.00 0.00 H ATOM 698 N SER A 73 -7.637 -7.584 -2.520 1.00 12.76 N ATOM 699 CA SER A 73 -8.662 -7.672 -1.491 1.00 12.60 C ATOM 700 C SER A 73 -8.895 -9.102 -0.999 1.00 11.15 C ATOM 701 O SER A 73 -9.085 -10.018 -1.789 1.00 12.06 O ATOM 702 CB SER A 73 -9.951 -7.083 -2.038 1.00 15.76 C ATOM 703 OG SER A 73 -9.710 -5.751 -2.457 1.00 18.22 O ATOM 704 HG SER A 73 -9.016 -5.749 -3.163 1.00 0.00 H ATOM 705 H SER A 73 -7.842 -7.061 -3.395 1.00 0.00 H ATOM 706 N ASN A 74 -8.852 -9.236 0.328 1.00 10.48 N ATOM 707 CA ASN A 74 -9.035 -10.459 1.112 1.00 11.11 C ATOM 708 C ASN A 74 -7.735 -11.161 1.475 1.00 9.75 C ATOM 709 O ASN A 74 -7.760 -12.016 2.345 1.00 9.92 O ATOM 710 CB ASN A 74 -10.018 -11.452 0.510 1.00 12.65 C ATOM 711 CG ASN A 74 -11.394 -10.893 0.399 1.00 15.70 C ATOM 712 OD1 ASN A 74 -11.820 -10.111 1.245 1.00 17.45 O ATOM 713 ND2 ASN A 74 -12.109 -11.290 -0.648 1.00 15.98 N ATOM 714 HD22 ASN A 74 -11.700 -11.954 -1.335 1.00 0.00 H ATOM 715 HD21 ASN A 74 -13.078 -10.936 -0.780 1.00 0.00 H ATOM 716 H ASN A 74 -8.666 -8.368 0.870 1.00 0.00 H ATOM 717 N CYS A 75 -6.618 -10.822 0.826 1.00 9.17 N ATOM 718 CA CYS A 75 -5.383 -11.497 1.176 1.00 9.73 C ATOM 719 C CYS A 75 -4.944 -11.134 2.596 1.00 9.32 C ATOM 720 O CYS A 75 -5.294 -10.080 3.140 1.00 9.14 O ATOM 721 CB CYS A 75 -4.295 -11.242 0.134 1.00 10.47 C ATOM 722 SG CYS A 75 -3.375 -9.705 0.330 1.00 12.05 S ATOM 723 H CYS A 75 -6.633 -10.091 0.087 1.00 0.00 H ATOM 724 N VAL A 76 -4.192 -12.056 3.197 1.00 9.34 N ATOM 725 CA VAL A 76 -3.649 -11.880 4.535 1.00 8.98 C ATOM 726 C VAL A 76 -2.150 -11.706 4.395 1.00 9.43 C ATOM 727 O VAL A 76 -1.487 -12.513 3.751 1.00 9.84 O ATOM 728 CB VAL A 76 -4.019 -13.059 5.468 1.00 9.80 C ATOM 729 CG1 VAL A 76 -3.272 -12.957 6.786 1.00 10.20 C ATOM 730 CG2 VAL A 76 -5.497 -13.069 5.709 1.00 10.67 C ATOM 731 H VAL A 76 -3.985 -12.939 2.688 1.00 0.00 H ATOM 732 N CYS A 77 -1.628 -10.627 4.979 1.00 8.89 N ATOM 733 CA CYS A 77 -0.215 -10.324 4.831 1.00 9.94 C ATOM 734 C CYS A 77 0.429 -9.964 6.158 1.00 9.22 C ATOM 735 O CYS A 77 -0.229 -9.544 7.107 1.00 10.50 O ATOM 736 CB CYS A 77 -0.003 -9.201 3.813 1.00 11.68 C ATOM 737 SG CYS A 77 -0.826 -7.665 4.228 1.00 12.84 S ATOM 738 H CYS A 77 -2.235 -9.999 5.543 1.00 0.00 H ATOM 739 N GLN A 78 1.737 -10.160 6.219 1.00 9.51 N ATOM 740 CA GLN A 78 2.529 -9.773 7.367 1.00 9.09 C ATOM 741 C GLN A 78 3.345 -8.560 6.978 1.00 9.02 C ATOM 742 O GLN A 78 4.019 -8.568 5.946 1.00 9.42 O ATOM 743 CB GLN A 78 3.449 -10.902 7.796 1.00 9.63 C ATOM 744 CG GLN A 78 4.232 -10.530 9.044 1.00 10.71 C ATOM 745 CD GLN A 78 4.768 -11.718 9.780 1.00 12.66 C ATOM 746 OE1 GLN A 78 5.081 -12.748 9.190 1.00 14.64 O ATOM 747 NE2 GLN A 78 4.875 -11.582 11.085 1.00 11.95 N ATOM 748 HE22 GLN A 78 4.597 -10.689 11.539 1.00 0.00 H ATOM 749 HE21 GLN A 78 5.238 -12.368 11.662 1.00 0.00 H ATOM 750 H GLN A 78 2.214 -10.609 5.411 1.00 0.00 H ATOM 751 N ILE A 79 3.262 -7.508 7.788 1.00 8.37 N ATOM 752 CA ILE A 79 4.040 -6.311 7.556 1.00 9.00 C ATOM 753 C ILE A 79 5.392 -6.432 8.226 1.00 9.19 C ATOM 754 O ILE A 79 5.480 -6.495 9.441 1.00 11.72 O ATOM 755 CB ILE A 79 3.302 -5.064 8.079 1.00 9.69 C ATOM 756 CG1 ILE A 79 1.858 -5.018 7.555 1.00 11.12 C ATOM 757 CG2 ILE A 79 4.094 -3.808 7.706 1.00 11.77 C ATOM 758 CD1 ILE A 79 1.703 -5.223 6.079 1.00 12.94 C ATOM 759 H ILE A 79 2.623 -7.547 8.607 1.00 0.00 H ATOM 760 N HIS A 80 6.446 -6.471 7.427 1.00 9.53 N ATOM 761 CA HIS A 80 7.785 -6.638 7.952 1.00 10.81 C ATOM 762 C HIS A 80 8.498 -5.318 8.211 1.00 12.34 C ATOM 763 O HIS A 80 9.404 -5.279 9.030 1.00 14.79 O ATOM 764 CB HIS A 80 8.611 -7.517 7.018 1.00 11.20 C ATOM 765 CG HIS A 80 8.185 -8.942 7.036 1.00 12.13 C ATOM 766 ND1 HIS A 80 8.516 -9.799 8.056 1.00 13.84 N ATOM 767 CD2 HIS A 80 7.418 -9.657 6.174 1.00 12.76 C ATOM 768 CE1 HIS A 80 8.008 -10.991 7.810 1.00 13.44 C ATOM 769 NE2 HIS A 80 7.329 -10.929 6.680 1.00 13.25 N ATOM 770 H HIS A 80 6.310 -6.380 6.400 1.00 0.00 H ATOM 771 N ARG A 81 8.117 -4.251 7.511 1.00 11.52 N ATOM 772 CA ARG A 81 8.702 -2.940 7.736 1.00 12.25 C ATOM 773 C ARG A 81 7.700 -1.885 7.319 1.00 11.82 C ATOM 774 O ARG A 81 7.075 -1.976 6.247 1.00 11.25 O ATOM 775 CB ARG A 81 9.981 -2.778 6.918 1.00 14.04 C ATOM 776 CG ARG A 81 10.785 -1.538 7.268 1.00 17.00 C ATOM 777 CD ARG A 81 12.237 -1.642 6.805 1.00 20.63 C ATOM 778 NE ARG A 81 12.349 -1.718 5.352 1.00 22.97 N ATOM 779 CZ ARG A 81 12.444 -0.669 4.541 1.00 25.90 C ATOM 780 NH1 ARG A 81 12.440 0.566 5.033 1.00 27.43 N ATOM 781 NH2 ARG A 81 12.543 -0.858 3.228 1.00 27.30 N ATOM 782 HE ARG A 81 12.355 -2.663 4.919 1.00 0.00 H ATOM 783 HH12 ARG A 81 12.515 1.381 4.392 1.00 0.00 H ATOM 784 HH11 ARG A 81 12.362 0.717 6.059 1.00 0.00 H ATOM 785 HH22 ARG A 81 12.618 -0.041 2.589 1.00 0.00 H ATOM 786 HH21 ARG A 81 12.546 -1.823 2.840 1.00 0.00 H ATOM 787 H ARG A 81 7.381 -4.359 6.784 1.00 0.00 H ATOM 788 N PHE A 82 7.537 -0.879 8.172 1.00 11.70 N ATOM 789 CA PHE A 82 6.653 0.236 7.868 1.00 11.57 C ATOM 790 C PHE A 82 7.150 1.476 8.564 1.00 12.79 C ATOM 791 O PHE A 82 7.940 1.400 9.510 1.00 12.84 O ATOM 792 CB PHE A 82 5.195 -0.063 8.250 1.00 11.52 C ATOM 793 CG PHE A 82 4.963 -0.228 9.720 1.00 12.05 C ATOM 794 CD1 PHE A 82 5.151 -1.457 10.326 1.00 13.09 C ATOM 795 CD2 PHE A 82 4.531 0.834 10.492 1.00 12.83 C ATOM 796 CE1 PHE A 82 4.928 -1.623 11.661 1.00 13.67 C ATOM 797 CE2 PHE A 82 4.306 0.662 11.853 1.00 13.67 C ATOM 798 CZ PHE A 82 4.503 -0.574 12.424 1.00 13.60 C ATOM 799 H PHE A 82 8.052 -0.889 9.076 1.00 0.00 H ATOM 800 N ILE A 83 6.688 2.615 8.072 1.00 14.08 N ATOM 801 CA ILE A 83 6.926 3.867 8.770 1.00 15.90 C ATOM 802 C ILE A 83 5.624 4.611 8.902 1.00 15.98 C ATOM 803 O ILE A 83 4.677 4.390 8.160 1.00 16.75 O ATOM 804 CB ILE A 83 7.985 4.752 8.093 1.00 20.06 C ATOM 805 CG1 ILE A 83 7.617 5.049 6.649 1.00 22.15 C ATOM 806 CG2 ILE A 83 9.343 4.077 8.163 1.00 21.20 C ATOM 807 CD1 ILE A 83 8.364 6.237 6.091 1.00 23.87 C ATOM 808 H ILE A 83 6.152 2.614 7.181 1.00 0.00 H ATOM 809 N VAL A 84 5.583 5.474 9.894 1.00 15.71 N ATOM 810 CA VAL A 84 4.436 6.324 10.127 1.00 16.12 C ATOM 811 C VAL A 84 4.835 7.755 9.865 1.00 16.06 C ATOM 812 O VAL A 84 5.876 8.206 10.351 1.00 17.89 O ATOM 813 CB VAL A 84 3.922 6.189 11.565 1.00 17.38 C ATOM 814 CG1 VAL A 84 2.789 7.172 11.833 1.00 18.07 C ATOM 815 CG2 VAL A 84 3.452 4.768 11.823 1.00 17.87 C ATOM 816 H VAL A 84 6.402 5.548 10.531 1.00 0.00 H ATOM 817 N ASN A 85 4.010 8.438 9.072 1.00 14.26 N ATOM 818 CA ASN A 85 4.142 9.863 8.752 1.00 14.30 C ATOM 819 C ASN A 85 2.921 10.613 9.284 1.00 13.68 C ATOM 820 O ASN A 85 1.806 10.116 9.180 1.00 16.21 O ATOM 821 CB ASN A 85 4.226 10.038 7.228 1.00 15.28 C ATOM 822 CG ASN A 85 4.642 11.441 6.803 1.00 16.50 C ATOM 823 OD1 ASN A 85 5.517 12.050 7.406 1.00 17.22 O ATOM 824 ND2 ASN A 85 4.026 11.944 5.739 1.00 17.26 N ATOM 825 HD22 ASN A 85 3.288 11.393 5.256 1.00 0.00 H ATOM 826 HD21 ASN A 85 4.282 12.889 5.389 1.00 0.00 H ATOM 827 H ASN A 85 3.213 7.922 8.648 1.00 0.00 H ATOM 828 N THR A 86 3.125 11.797 9.813 1.00 11.42 N ATOM 829 CA THR A 86 2.037 12.596 10.335 1.00 10.74 C ATOM 830 C THR A 86 1.941 13.870 9.519 1.00 11.09 C ATOM 831 O THR A 86 2.930 14.585 9.326 1.00 11.57 O ATOM 832 CB THR A 86 2.266 12.922 11.817 1.00 11.17 C ATOM 833 OG1 THR A 86 2.352 11.710 12.576 1.00 11.53 O ATOM 834 CG2 THR A 86 1.149 13.775 12.368 1.00 11.09 C ATOM 835 HG1 THR A 86 2.500 11.929 13.530 1.00 0.00 H ATOM 836 H THR A 86 4.094 12.171 9.858 1.00 0.00 H ATOM 837 N LEU A 87 0.748 14.119 9.003 1.00 10.96 N ATOM 838 CA LEU A 87 0.493 15.272 8.165 1.00 11.79 C ATOM 839 C LEU A 87 0.303 16.523 8.999 1.00 11.99 C ATOM 840 O LEU A 87 0.113 16.460 10.205 1.00 11.20 O ATOM 841 CB LEU A 87 -0.749 15.029 7.313 1.00 13.51 C ATOM 842 CG LEU A 87 -0.721 13.751 6.472 1.00 16.26 C ATOM 843 CD1 LEU A 87 -1.992 13.652 5.679 1.00 17.33 C ATOM 844 CD2 LEU A 87 0.495 13.715 5.569 1.00 17.76 C ATOM 845 H LEU A 87 -0.034 13.464 9.206 1.00 0.00 H ATOM 846 N LYS A 88 0.362 17.679 8.349 1.00 12.95 N ATOM 847 CA LYS A 88 0.201 18.940 9.041 1.00 15.40 C ATOM 848 C LYS A 88 -1.112 19.033 9.800 1.00 14.90 C ATOM 849 O LYS A 88 -1.174 19.690 10.835 1.00 15.39 O ATOM 850 CB LYS A 88 0.250 20.083 8.041 1.00 18.28 C ATOM 851 CG LYS A 88 1.578 20.270 7.384 1.00 20.23 C ATOM 852 CD LYS A 88 1.538 21.424 6.365 1.00 21.17 C ATOM 853 CE LYS A 88 0.571 21.168 5.219 1.00 22.15 C ATOM 854 NZ LYS A 88 0.663 22.236 4.183 1.00 22.18 N ATOM 855 HZ1 LYS A 88 0.432 23.155 4.612 1.00 0.00 H ATOM 856 HZ2 LYS A 88 1.630 22.264 3.801 1.00 0.00 H ATOM 857 HZ3 LYS A 88 -0.009 22.032 3.416 1.00 0.00 H ATOM 858 H LYS A 88 0.527 17.679 7.322 1.00 0.00 H ATOM 859 N ASP A 89 -2.161 18.393 9.283 1.00 15.22 N ATOM 860 CA ASP A 89 -3.462 18.462 9.926 1.00 15.72 C ATOM 861 C ASP A 89 -3.637 17.479 11.068 1.00 14.00 C ATOM 862 O ASP A 89 -4.667 17.497 11.730 1.00 14.23 O ATOM 863 CB ASP A 89 -4.618 18.330 8.928 1.00 18.28 C ATOM 864 CG ASP A 89 -4.641 17.007 8.188 1.00 20.59 C ATOM 865 OD1 ASP A 89 -4.110 15.990 8.662 1.00 20.19 O ATOM 866 OD2 ASP A 89 -5.243 16.993 7.104 1.00 23.29 O ATOM 867 H ASP A 89 -2.047 17.839 8.410 1.00 0.00 H ATOM 868 N GLY A 90 -2.626 16.645 11.300 1.00 12.03 N ATOM 869 CA GLY A 90 -2.644 15.705 12.408 1.00 11.74 C ATOM 870 C GLY A 90 -2.930 14.269 12.026 1.00 11.85 C ATOM 871 O GLY A 90 -2.744 13.375 12.841 1.00 13.14 O ATOM 872 H GLY A 90 -1.799 16.667 10.670 1.00 0.00 H ATOM 873 N ARG A 91 -3.416 14.040 10.813 1.00 12.77 N ATOM 874 CA ARG A 91 -3.648 12.675 10.384 1.00 14.03 C ATOM 875 C ARG A 91 -2.356 11.903 10.219 1.00 13.40 C ATOM 876 O ARG A 91 -1.336 12.433 9.811 1.00 13.25 O ATOM 877 CB ARG A 91 -4.424 12.660 9.078 1.00 16.76 C ATOM 878 CG ARG A 91 -5.913 12.954 9.241 1.00 19.89 C ATOM 879 CD ARG A 91 -6.619 12.982 7.900 1.00 21.92 C ATOM 880 NE ARG A 91 -5.986 13.926 6.986 1.00 23.22 N ATOM 881 CZ ARG A 91 -6.225 13.980 5.681 1.00 25.02 C ATOM 882 NH1 ARG A 91 -5.591 14.876 4.942 1.00 25.22 N ATOM 883 NH2 ARG A 91 -7.093 13.143 5.113 1.00 26.96 N ATOM 884 HE ARG A 91 -5.302 14.602 7.383 1.00 0.00 H ATOM 885 HH12 ARG A 91 -5.771 14.927 3.919 1.00 0.00 H ATOM 886 HH11 ARG A 91 -4.913 15.529 5.384 1.00 0.00 H ATOM 887 HH22 ARG A 91 -7.272 13.195 4.090 1.00 0.00 H ATOM 888 HH21 ARG A 91 -7.591 12.438 5.693 1.00 0.00 H ATOM 889 H ARG A 91 -3.629 14.833 10.175 1.00 0.00 H ATOM 890 N ARG A 92 -2.428 10.617 10.504 1.00 13.27 N ATOM 891 CA ARG A 92 -1.291 9.752 10.328 1.00 13.92 C ATOM 892 C ARG A 92 -1.494 8.822 9.171 1.00 13.31 C ATOM 893 O ARG A 92 -2.593 8.331 8.922 1.00 14.73 O ATOM 894 CB ARG A 92 -0.998 8.991 11.602 1.00 15.58 C ATOM 895 CG ARG A 92 -0.336 9.953 12.558 1.00 16.67 C ATOM 896 CD ARG A 92 -0.076 9.396 13.888 1.00 17.64 C ATOM 897 NE ARG A 92 0.798 10.279 14.665 1.00 16.95 N ATOM 898 CZ ARG A 92 1.000 10.148 15.970 1.00 15.41 C ATOM 899 NH1 ARG A 92 0.372 9.198 16.639 1.00 16.28 N ATOM 900 NH2 ARG A 92 1.817 10.966 16.604 1.00 14.24 N ATOM 901 HE ARG A 92 1.286 11.050 14.167 1.00 0.00 H ATOM 902 HH12 ARG A 92 0.528 9.092 17.662 1.00 0.00 H ATOM 903 HH11 ARG A 92 -0.278 8.556 16.143 1.00 0.00 H ATOM 904 HH22 ARG A 92 1.971 10.858 17.627 1.00 0.00 H ATOM 905 HH21 ARG A 92 2.308 11.719 16.081 1.00 0.00 H ATOM 906 H ARG A 92 -3.321 10.222 10.862 1.00 0.00 H ATOM 907 N VAL A 93 -0.396 8.586 8.464 1.00 12.14 N ATOM 908 CA VAL A 93 -0.366 7.706 7.308 1.00 12.99 C ATOM 909 C VAL A 93 0.699 6.649 7.558 1.00 12.46 C ATOM 910 O VAL A 93 1.798 6.963 8.040 1.00 13.32 O ATOM 911 CB VAL A 93 -0.027 8.495 6.040 1.00 15.55 C ATOM 912 CG1 VAL A 93 0.092 7.572 4.838 1.00 17.06 C ATOM 913 CG2 VAL A 93 -1.085 9.559 5.774 1.00 17.23 C ATOM 914 H VAL A 93 0.487 9.054 8.752 1.00 0.00 H ATOM 915 N VAL A 94 0.367 5.400 7.251 1.00 11.15 N ATOM 916 CA VAL A 94 1.278 4.282 7.437 1.00 11.88 C ATOM 917 C VAL A 94 1.778 3.850 6.072 1.00 11.76 C ATOM 918 O VAL A 94 0.985 3.485 5.216 1.00 13.23 O ATOM 919 CB VAL A 94 0.584 3.109 8.146 1.00 12.66 C ATOM 920 CG1 VAL A 94 1.575 1.975 8.383 1.00 13.74 C ATOM 921 CG2 VAL A 94 -0.035 3.582 9.457 1.00 13.51 C ATOM 922 H VAL A 94 -0.580 5.215 6.863 1.00 0.00 H ATOM 923 N ILE A 95 3.086 3.946 5.857 1.00 12.29 N ATOM 924 CA ILE A 95 3.686 3.546 4.586 1.00 12.55 C ATOM 925 C ILE A 95 4.264 2.150 4.759 1.00 11.85 C ATOM 926 O ILE A 95 5.144 1.935 5.585 1.00 12.24 O ATOM 927 CB ILE A 95 4.803 4.517 4.129 1.00 14.02 C ATOM 928 CG1 ILE A 95 4.326 5.975 4.167 1.00 14.83 C ATOM 929 CG2 ILE A 95 5.278 4.153 2.735 1.00 14.68 C ATOM 930 CD1 ILE A 95 3.149 6.262 3.272 1.00 14.95 C ATOM 931 H ILE A 95 3.698 4.315 6.612 1.00 0.00 H ATOM 932 N LEU A 96 3.730 1.215 3.995 1.00 10.36 N ATOM 933 CA LEU A 96 4.142 -0.171 4.041 1.00 10.51 C ATOM 934 C LEU A 96 5.357 -0.367 3.136 1.00 11.24 C ATOM 935 O LEU A 96 5.274 -0.201 1.920 1.00 12.44 O ATOM 936 CB LEU A 96 2.987 -1.066 3.601 1.00 11.56 C ATOM 937 CG LEU A 96 1.700 -0.923 4.410 1.00 12.02 C ATOM 938 CD1 LEU A 96 0.614 -1.787 3.809 1.00 12.76 C ATOM 939 CD2 LEU A 96 1.895 -1.277 5.871 1.00 11.95 C ATOM 940 H LEU A 96 2.979 1.487 3.330 1.00 0.00 H ATOM 941 N MET A 97 6.482 -0.738 3.734 1.00 10.73 N ATOM 942 CA MET A 97 7.750 -0.829 3.014 1.00 11.05 C ATOM 943 C MET A 97 8.127 -2.245 2.611 1.00 11.03 C ATOM 944 O MET A 97 8.699 -2.458 1.538 1.00 12.41 O ATOM 945 CB MET A 97 8.879 -0.270 3.871 1.00 13.19 C ATOM 946 CG MET A 97 8.681 1.164 4.308 1.00 15.18 C ATOM 947 SD MET A 97 8.521 2.316 2.937 1.00 17.76 S ATOM 948 CE MET A 97 10.030 1.995 2.018 1.00 19.49 C ATOM 949 H MET A 97 6.460 -0.971 4.747 1.00 0.00 H ATOM 950 N GLU A 98 7.817 -3.207 3.471 1.00 10.24 N ATOM 951 CA GLU A 98 8.077 -4.621 3.207 1.00 11.27 C ATOM 952 C GLU A 98 6.896 -5.380 3.729 1.00 10.56 C ATOM 953 O GLU A 98 6.460 -5.174 4.874 1.00 11.00 O ATOM 954 CB GLU A 98 9.305 -5.122 3.945 1.00 13.88 C ATOM 955 CG GLU A 98 10.623 -4.651 3.408 1.00 17.28 C ATOM 956 CD GLU A 98 11.776 -5.343 4.103 1.00 20.88 C ATOM 957 OE1 GLU A 98 11.580 -5.849 5.237 1.00 22.81 O ATOM 958 OE2 GLU A 98 12.866 -5.400 3.507 1.00 21.99 O ATOM 959 H GLU A 98 7.370 -2.943 4.372 1.00 0.00 H ATOM 960 N LEU A 99 6.334 -6.230 2.891 1.00 11.26 N ATOM 961 CA LEU A 99 5.321 -7.131 3.363 1.00 13.96 C ATOM 962 C LEU A 99 5.332 -8.442 2.620 1.00 13.80 C ATOM 963 O LEU A 99 5.833 -8.567 1.492 1.00 15.75 O ATOM 964 CB LEU A 99 3.944 -6.501 3.381 1.00 17.45 C ATOM 965 CG LEU A 99 3.370 -6.232 1.993 1.00 17.86 C ATOM 966 CD1 LEU A 99 2.723 -7.476 1.306 1.00 18.73 C ATOM 967 CD2 LEU A 99 2.346 -5.104 1.994 1.00 19.70 C ATOM 968 H LEU A 99 6.624 -6.247 1.892 1.00 0.00 H ATOM 969 N GLU A 100 4.788 -9.426 3.300 1.00 11.44 N ATOM 970 CA GLU A 100 4.707 -10.773 2.791 1.00 11.03 C ATOM 971 C GLU A 100 3.259 -11.173 2.717 1.00 10.49 C ATOM 972 O GLU A 100 2.506 -10.975 3.663 1.00 12.37 O ATOM 973 CB GLU A 100 5.460 -11.704 3.733 1.00 12.16 C ATOM 974 CG GLU A 100 5.201 -13.167 3.511 1.00 14.30 C ATOM 975 CD GLU A 100 5.923 -14.023 4.533 1.00 16.55 C ATOM 976 OE1 GLU A 100 5.944 -15.253 4.368 1.00 17.30 O ATOM 977 OE2 GLU A 100 6.483 -13.462 5.499 1.00 18.33 O ATOM 978 H GLU A 100 4.400 -9.225 4.244 1.00 0.00 H ATOM 979 N VAL A 101 2.853 -11.742 1.588 1.00 10.56 N ATOM 980 CA VAL A 101 1.512 -12.304 1.500 1.00 11.16 C ATOM 981 C VAL A 101 1.550 -13.713 2.081 1.00 11.40 C ATOM 982 O VAL A 101 2.234 -14.595 1.561 1.00 14.09 O ATOM 983 CB VAL A 101 1.008 -12.340 0.059 1.00 13.26 C ATOM 984 CG1 VAL A 101 -0.380 -12.989 0.001 1.00 15.28 C ATOM 985 CG2 VAL A 101 0.960 -10.910 -0.491 1.00 14.55 C ATOM 986 H VAL A 101 3.491 -11.786 0.768 1.00 0.00 H ATOM 987 N LEU A 102 0.856 -13.908 3.197 1.00 10.77 N ATOM 988 CA LEU A 102 0.805 -15.221 3.841 1.00 11.21 C ATOM 989 C LEU A 102 -0.244 -16.127 3.221 1.00 11.60 C ATOM 990 O LEU A 102 -0.029 -17.325 3.092 1.00 13.50 O ATOM 991 CB LEU A 102 0.493 -15.087 5.327 1.00 11.99 C ATOM 992 CG LEU A 102 1.521 -14.281 6.131 1.00 12.82 C ATOM 993 CD1 LEU A 102 1.075 -14.220 7.579 1.00 13.19 C ATOM 994 CD2 LEU A 102 2.911 -14.886 6.017 1.00 14.27 C ATOM 995 H LEU A 102 0.339 -13.112 3.621 1.00 0.00 H ATOM 996 N LYS A 103 -1.382 -15.554 2.859 1.00 10.71 N ATOM 997 CA LYS A 103 -2.459 -16.291 2.214 1.00 11.35 C ATOM 998 C LYS A 103 -3.032 -15.430 1.115 1.00 10.37 C ATOM 999 O LYS A 103 -3.366 -14.261 1.349 1.00 11.10 O ATOM 1000 CB LYS A 103 -3.581 -16.635 3.201 1.00 14.41 C ATOM 1001 CG LYS A 103 -3.134 -17.465 4.363 1.00 17.77 C ATOM 1002 CD LYS A 103 -4.308 -17.989 5.147 1.00 20.15 C ATOM 1003 CE LYS A 103 -4.050 -19.425 5.577 1.00 22.91 C ATOM 1004 NZ LYS A 103 -4.143 -20.372 4.415 1.00 23.57 N ATOM 1005 HZ1 LYS A 103 -5.095 -20.318 4.000 1.00 0.00 H ATOM 1006 HZ2 LYS A 103 -3.436 -20.110 3.698 1.00 0.00 H ATOM 1007 HZ3 LYS A 103 -3.962 -21.342 4.744 1.00 0.00 H ATOM 1008 H LYS A 103 -1.511 -14.539 3.043 1.00 0.00 H ATOM 1009 N SER A 104 -3.159 -15.994 -0.079 1.00 11.12 N ATOM 1010 CA SER A 104 -3.709 -15.265 -1.205 1.00 11.14 C ATOM 1011 C SER A 104 -5.172 -14.892 -0.962 1.00 10.86 C ATOM 1012 O SER A 104 -5.878 -15.518 -0.169 1.00 11.42 O ATOM 1013 CB SER A 104 -3.638 -16.102 -2.459 1.00 13.01 C ATOM 1014 OG SER A 104 -4.605 -17.123 -2.354 1.00 14.48 O ATOM 1015 HG SER A 104 -4.577 -17.687 -3.167 1.00 0.00 H ATOM 1016 H SER A 104 -2.857 -16.981 -0.210 1.00 0.00 H ATOM 1017 N ALA A 105 -5.645 -13.897 -1.696 1.00 11.05 N ATOM 1018 CA ALA A 105 -7.045 -13.513 -1.641 1.00 11.56 C ATOM 1019 C ALA A 105 -7.935 -14.705 -1.929 1.00 11.24 C ATOM 1020 O ALA A 105 -8.974 -14.886 -1.291 1.00 12.49 O ATOM 1021 CB ALA A 105 -7.338 -12.408 -2.632 1.00 12.81 C ATOM 1022 H ALA A 105 -5.000 -13.379 -2.326 1.00 0.00 H ATOM 1023 N GLU A 106 -7.528 -15.523 -2.892 1.00 11.29 N ATOM 1024 CA GLU A 106 -8.364 -16.631 -3.311 1.00 12.39 C ATOM 1025 C GLU A 106 -8.429 -17.734 -2.254 1.00 12.34 C ATOM 1026 O GLU A 106 -9.406 -18.465 -2.178 1.00 13.39 O ATOM 1027 CB GLU A 106 -7.871 -17.180 -4.657 1.00 14.16 C ATOM 1028 CG GLU A 106 -7.983 -16.185 -5.837 1.00 15.36 C ATOM 1029 CD GLU A 106 -6.995 -15.030 -5.787 1.00 15.89 C ATOM 1030 OE1 GLU A 106 -5.888 -15.219 -5.247 1.00 16.47 O ATOM 1031 OE2 GLU A 106 -7.348 -13.923 -6.268 1.00 16.34 O ATOM 1032 H GLU A 106 -6.606 -15.369 -3.348 1.00 0.00 H ATOM 1033 N ALA A 107 -7.395 -17.843 -1.433 1.00 11.51 N ATOM 1034 CA ALA A 107 -7.338 -18.843 -0.379 1.00 12.89 C ATOM 1035 C ALA A 107 -8.071 -18.413 0.887 1.00 13.48 C ATOM 1036 O ALA A 107 -8.312 -19.223 1.762 1.00 16.32 O ATOM 1037 CB ALA A 107 -5.895 -19.157 -0.042 1.00 13.71 C ATOM 1038 H ALA A 107 -6.594 -17.189 -1.547 1.00 0.00 H ATOM 1039 N VAL A 108 -8.395 -17.136 0.989 1.00 11.65 N ATOM 1040 CA VAL A 108 -9.094 -16.608 2.152 1.00 11.39 C ATOM 1041 C VAL A 108 -10.559 -16.356 1.772 1.00 12.26 C ATOM 1042 O VAL A 108 -11.464 -16.943 2.351 1.00 15.01 O ATOM 1043 CB VAL A 108 -8.438 -15.312 2.688 1.00 10.28 C ATOM 1044 CG1 VAL A 108 -9.197 -14.798 3.905 1.00 10.47 C ATOM 1045 CG2 VAL A 108 -6.985 -15.559 3.033 1.00 11.93 C ATOM 1046 H VAL A 108 -8.143 -16.488 0.215 1.00 0.00 H ATOM 1047 N GLY A 109 -10.786 -15.464 0.815 1.00 11.70 N ATOM 1048 CA GLY A 109 -12.058 -15.369 0.130 1.00 12.85 C ATOM 1049 C GLY A 109 -13.129 -14.497 0.742 1.00 12.66 C ATOM 1050 O GLY A 109 -14.153 -14.268 0.115 1.00 13.49 O ATOM 1051 H GLY A 109 -10.023 -14.810 0.548 1.00 0.00 H ATOM 1052 N VAL A 110 -12.917 -14.030 1.963 1.00 12.35 N ATOM 1053 CA VAL A 110 -13.920 -13.253 2.666 1.00 13.46 C ATOM 1054 C VAL A 110 -13.214 -12.306 3.626 1.00 11.61 C ATOM 1055 O VAL A 110 -12.096 -12.572 4.038 1.00 11.38 O ATOM 1056 CB VAL A 110 -14.885 -14.180 3.494 1.00 15.67 C ATOM 1057 CG1 VAL A 110 -15.652 -15.154 2.614 1.00 17.54 C ATOM 1058 CG2 VAL A 110 -14.119 -14.958 4.551 1.00 17.32 C ATOM 1059 H VAL A 110 -12.008 -14.225 2.430 1.00 0.00 H ATOM 1060 N LYS A 111 -13.883 -11.224 4.005 1.00 12.37 N ATOM 1061 CA LYS A 111 -13.439 -10.406 5.124 1.00 12.64 C ATOM 1062 C LYS A 111 -13.557 -11.203 6.411 1.00 13.05 C ATOM 1063 O LYS A 111 -14.607 -11.768 6.714 1.00 14.95 O ATOM 1064 CB LYS A 111 -14.286 -9.134 5.211 1.00 13.85 C ATOM 1065 CG LYS A 111 -13.960 -8.269 6.434 1.00 15.70 C ATOM 1066 CD LYS A 111 -14.604 -6.889 6.384 1.00 18.59 C ATOM 1067 CE LYS A 111 -16.101 -6.968 6.450 1.00 20.05 C ATOM 1068 NZ LYS A 111 -16.698 -5.612 6.564 1.00 19.69 N ATOM 1069 HZ1 LYS A 111 -16.348 -5.152 7.429 1.00 0.00 H ATOM 1070 HZ2 LYS A 111 -16.428 -5.045 5.735 1.00 0.00 H ATOM 1071 HZ3 LYS A 111 -17.734 -5.693 6.608 1.00 0.00 H ATOM 1072 H LYS A 111 -14.745 -10.954 3.490 1.00 0.00 H ATOM 1073 N ILE A 112 -12.462 -11.256 7.153 1.00 10.81 N ATOM 1074 CA ILE A 112 -12.406 -11.997 8.399 1.00 10.97 C ATOM 1075 C ILE A 112 -13.012 -11.181 9.527 1.00 11.55 C ATOM 1076 O ILE A 112 -12.674 -10.019 9.717 1.00 11.85 O ATOM 1077 CB ILE A 112 -10.949 -12.344 8.722 1.00 10.74 C ATOM 1078 CG1 ILE A 112 -10.428 -13.373 7.714 1.00 12.04 C ATOM 1079 CG2 ILE A 112 -10.794 -12.879 10.148 1.00 11.53 C ATOM 1080 CD1 ILE A 112 -8.909 -13.471 7.663 1.00 13.01 C ATOM 1081 H ILE A 112 -11.613 -10.749 6.832 1.00 0.00 H ATOM 1082 N GLY A 113 -13.903 -11.792 10.288 1.00 13.06 N ATOM 1083 CA GLY A 113 -14.500 -11.126 11.418 1.00 13.70 C ATOM 1084 C GLY A 113 -15.418 -9.986 11.029 1.00 14.01 C ATOM 1085 O GLY A 113 -15.955 -9.941 9.924 1.00 14.85 O ATOM 1086 H GLY A 113 -14.178 -12.770 10.068 1.00 0.00 H ATOM 1087 N ASN A 114 -15.607 -9.072 11.973 1.00 14.76 N ATOM 1088 CA ASN A 114 -16.468 -7.917 11.783 1.00 15.98 C ATOM 1089 C ASN A 114 -15.774 -6.672 12.315 1.00 15.34 C ATOM 1090 O ASN A 114 -16.223 -6.049 13.291 1.00 16.39 O ATOM 1091 CB ASN A 114 -17.810 -8.100 12.480 1.00 18.76 C ATOM 1092 CG ASN A 114 -18.778 -6.977 12.166 1.00 20.51 C ATOM 1093 OD1 ASN A 114 -18.671 -6.319 11.131 1.00 20.52 O ATOM 1094 ND2 ASN A 114 -19.725 -6.747 13.062 1.00 20.81 N ATOM 1095 HD22 ASN A 114 -19.778 -7.328 13.923 1.00 0.00 H ATOM 1096 HD21 ASN A 114 -20.416 -5.985 12.905 1.00 0.00 H ATOM 1097 H ASN A 114 -15.120 -9.187 12.884 1.00 0.00 H ATOM 1098 N PRO A 115 -14.661 -6.306 11.680 1.00 13.94 N ATOM 1099 CA PRO A 115 -13.888 -5.160 12.168 1.00 13.36 C ATOM 1100 C PRO A 115 -14.647 -3.849 11.983 1.00 14.37 C ATOM 1101 O PRO A 115 -15.407 -3.699 11.026 1.00 15.97 O ATOM 1102 CB PRO A 115 -12.629 -5.206 11.306 1.00 12.27 C ATOM 1103 CG PRO A 115 -13.080 -5.892 10.037 1.00 12.12 C ATOM 1104 CD PRO A 115 -14.026 -6.950 10.518 1.00 12.99 C ATOM 1105 N VAL A 116 -14.439 -2.908 12.902 1.00 13.95 N ATOM 1106 CA VAL A 116 -15.099 -1.614 12.828 1.00 15.08 C ATOM 1107 C VAL A 116 -14.087 -0.521 12.545 1.00 13.48 C ATOM 1108 O VAL A 116 -12.905 -0.648 12.871 1.00 13.33 O ATOM 1109 CB VAL A 116 -15.881 -1.291 14.104 1.00 17.15 C ATOM 1110 CG1 VAL A 116 -16.961 -2.338 14.324 1.00 18.53 C ATOM 1111 CG2 VAL A 116 -14.954 -1.206 15.307 1.00 17.48 C ATOM 1112 H VAL A 116 -13.790 -3.103 13.691 1.00 0.00 H ATOM 1113 N PRO A 117 -14.523 0.559 11.905 1.00 14.72 N ATOM 1114 CA PRO A 117 -13.554 1.607 11.575 1.00 14.75 C ATOM 1115 C PRO A 117 -12.835 2.178 12.792 1.00 14.36 C ATOM 1116 O PRO A 117 -13.441 2.478 13.827 1.00 15.12 O ATOM 1117 CB PRO A 117 -14.418 2.672 10.897 1.00 16.31 C ATOM 1118 CG PRO A 117 -15.567 1.911 10.350 1.00 17.64 C ATOM 1119 CD PRO A 117 -15.860 0.867 11.373 1.00 16.66 C ATOM 1120 N TYR A 118 -11.519 2.305 12.656 1.00 14.26 N ATOM 1121 CA TYR A 118 -10.699 2.918 13.683 1.00 15.68 C ATOM 1122 C TYR A 118 -10.984 4.395 13.722 1.00 18.73 C ATOM 1123 O TYR A 118 -11.031 5.044 12.685 1.00 20.70 O ATOM 1124 CB TYR A 118 -9.221 2.677 13.395 1.00 15.98 C ATOM 1125 CG TYR A 118 -8.332 3.309 14.413 1.00 16.88 C ATOM 1126 CD1 TYR A 118 -8.172 2.742 15.668 1.00 17.30 C ATOM 1127 CD2 TYR A 118 -7.676 4.507 14.141 1.00 18.33 C ATOM 1128 CE1 TYR A 118 -7.371 3.348 16.624 1.00 18.87 C ATOM 1129 CE2 TYR A 118 -6.879 5.106 15.081 1.00 18.73 C ATOM 1130 CZ TYR A 118 -6.728 4.524 16.318 1.00 19.53 C ATOM 1131 OH TYR A 118 -5.931 5.140 17.248 1.00 22.06 O ATOM 1132 HH TYR A 118 -6.287 6.044 17.439 1.00 0.00 H ATOM 1133 H TYR A 118 -11.065 1.955 11.789 1.00 0.00 H ATOM 1134 N ASN A 119 -11.200 4.899 14.937 1.00 20.15 N ATOM 1135 CA ASN A 119 -11.476 6.303 15.194 1.00 22.97 C ATOM 1136 C ASN A 119 -10.188 6.972 15.605 1.00 24.12 C ATOM 1137 O ASN A 119 -9.724 6.812 16.734 1.00 24.66 O ATOM 1138 CB ASN A 119 -12.519 6.459 16.310 1.00 25.37 C ATOM 1139 CG ASN A 119 -13.849 5.832 15.956 1.00 27.91 C ATOM 1140 OD1 ASN A 119 -14.350 6.002 14.844 1.00 28.62 O ATOM 1141 ND2 ASN A 119 -14.428 5.093 16.901 1.00 29.78 N ATOM 1142 HD22 ASN A 119 -13.967 4.978 17.826 1.00 0.00 H ATOM 1143 HD21 ASN A 119 -15.341 4.631 16.714 1.00 0.00 H ATOM 1144 H ASN A 119 -11.169 4.250 15.749 1.00 0.00 H ATOM 1145 N GLU A 120 -9.619 7.708 14.665 1.00 25.11 N ATOM 1146 CA GLU A 120 -8.346 8.378 14.848 1.00 26.23 C ATOM 1147 C GLU A 120 -8.465 9.675 15.654 1.00 27.60 C ATOM 1148 O GLU A 120 -9.494 10.342 15.632 1.00 28.49 O ATOM 1149 CB GLU A 120 -7.768 8.665 13.465 1.00 26.06 C ATOM 1150 CG GLU A 120 -6.438 9.351 13.484 1.00 25.28 C ATOM 1151 CD GLU A 120 -5.810 9.432 12.112 1.00 24.83 C ATOM 1152 OE1 GLU A 120 -4.642 9.817 12.048 1.00 23.73 O ATOM 1153 OE2 GLU A 120 -6.475 9.106 11.109 1.00 25.56 O ATOM 1154 H GLU A 120 -10.107 7.811 13.752 1.00 0.00 H TER 1155 GLU A 120 HETATM 1156 O HOH 1 -10.827 -8.498 8.534 1.00 11.52 O HETATM 1157 O HOH 2 -5.613 -12.807 17.011 1.00 12.39 O HETATM 1158 O HOH 3 -6.747 -2.061 16.653 1.00 16.02 O HETATM 1159 O HOH 4 2.066 2.525 -4.088 1.00 15.03 O HETATM 1160 O HOH 5 3.784 16.706 7.702 1.00 16.60 O HETATM 1161 O HOH 6 -10.877 -20.064 -0.575 1.00 16.54 O HETATM 1162 O HOH 7 -2.287 -18.789 -0.184 1.00 17.59 O HETATM 1163 O HOH 8 -11.931 2.098 8.279 1.00 19.49 O HETATM 1164 O HOH 9 -3.842 11.311 14.112 1.00 21.19 O HETATM 1165 O HOH 10 -11.489 4.356 9.857 1.00 23.77 O HETATM 1166 O HOH 11 5.841 -11.450 -13.654 1.00 22.32 O HETATM 1167 O HOH 12 -16.768 -5.404 9.351 1.00 19.93 O HETATM 1168 O HOH 13 8.607 -1.589 10.831 1.00 23.26 O HETATM 1169 O HOH 14 -16.021 2.976 14.382 1.00 24.05 O HETATM 1170 O HOH 15 -10.907 -13.246 -2.622 1.00 21.26 O HETATM 1171 O HOH 16 -12.853 -7.432 0.898 1.00 23.97 O HETATM 1172 O HOH 17 4.526 -16.322 2.391 1.00 22.66 O HETATM 1173 O HOH 18 -6.781 -18.768 13.971 1.00 25.37 O HETATM 1174 O HOH 19 -2.410 18.096 6.152 1.00 25.98 O HETATM 1175 O HOH 20 6.159 -13.686 12.683 1.00 27.37 O HETATM 1176 O HOH 21 -5.200 7.753 16.933 1.00 32.42 O HETATM 1177 O HOH 22 -1.898 -4.737 -13.833 1.00 29.86 O HETATM 1178 O HOH 23 3.856 0.995 -10.842 1.00 25.24 O HETATM 1179 O HOH 24 -4.195 -6.455 -6.949 1.00 21.48 O HETATM 1180 O HOH 25 4.734 -5.802 -12.704 1.00 27.41 O HETATM 1181 O HOH 26 1.343 17.498 5.592 1.00 25.98 O HETATM 1182 O HOH 27 -9.460 -3.740 -4.021 1.00 29.17 O HETATM 1183 O HOH 28 -7.776 -5.937 -4.883 1.00 24.32 O HETATM 1184 O HOH 29 6.772 -4.145 10.821 1.00 50.23 O HETATM 1185 O HOH 30 -11.243 3.080 17.312 1.00 36.13 O HETATM 1186 O HOH 31 -4.516 -19.257 -4.069 1.00 25.66 O HETATM 1187 O HOH 32 0.609 8.853 19.535 1.00 30.78 O HETATM 1188 O HOH 33 7.146 -14.327 7.838 1.00 29.52 O HETATM 1189 O HOH 34 1.934 6.462 15.379 1.00 26.57 O HETATM 1190 O HOH 35 -9.428 -10.119 -4.501 1.00 24.60 O HETATM 1191 O HOH 36 -7.945 9.639 -5.882 1.00 32.04 O HETATM 1192 O HOH 37 -16.757 -11.298 3.233 1.00 30.63 O HETATM 1193 O HOH 38 -6.167 -1.530 -7.051 1.00 31.06 O HETATM 1194 O HOH 39 -13.934 -9.342 14.334 1.00 28.09 O HETATM 1195 O HOH 40 -7.418 -20.858 12.421 1.00 46.77 O HETATM 1196 O HOH 41 -6.069 -11.637 -6.830 1.00 24.19 O HETATM 1197 O HOH 42 -3.096 -2.120 -10.238 1.00 22.26 O HETATM 1198 O HOH 43 2.391 10.438 19.351 1.00 27.51 O HETATM 1199 O HOH 44 -3.737 -13.695 -5.467 1.00 26.18 O HETATM 1200 O HOH 45 -6.574 15.408 12.157 1.00 31.42 O HETATM 1201 O HOH 46 -13.537 6.219 9.811 1.00 37.87 O HETATM 1202 O HOH 47 -15.149 -6.832 2.351 1.00 31.00 O HETATM 1203 O HOH 48 4.256 -15.443 9.958 1.00 26.16 O HETATM 1204 O HOH 49 10.334 -4.395 0.038 1.00 27.26 O HETATM 1205 O HOH 50 -12.251 -19.108 1.016 1.00 27.70 O HETATM 1206 O HOH 51 -9.501 0.045 18.865 1.00 33.46 O HETATM 1207 O HOH 52 -14.508 -5.557 15.853 1.00 28.53 O HETATM 1208 O HOH 53 -2.740 -20.123 -2.583 1.00 37.69 O HETATM 1209 O HOH 54 -17.622 -8.503 3.596 1.00 39.61 O HETATM 1210 O HOH 55 -15.991 -9.546 2.268 1.00 34.90 O HETATM 1211 O HOH 56 12.969 -4.011 0.797 1.00 29.32 O HETATM 1212 O HOH 57 2.241 -18.562 4.300 1.00 46.44 O HETATM 1213 O HOH 58 -2.127 -8.996 -13.379 1.00 37.49 O HETATM 1214 O HOH 59 -15.882 5.118 8.718 1.00 51.98 O HETATM 1215 O HOH 60 -6.344 -4.559 -7.017 1.00 46.82 O HETATM 1216 O HOH 61 8.305 0.347 18.356 1.00 35.21 O HETATM 1217 O HOH 62 9.127 -15.290 8.640 1.00 24.44 O HETATM 1218 O HOH 63 -8.326 1.832 -0.247 1.00 26.54 O HETATM 1219 O HOH 64 10.071 -2.962 -7.069 1.00 30.64 O HETATM 1220 O HOH 65 7.811 -1.168 20.040 1.00 35.21 O HETATM 1221 O HOH 66 -5.953 -1.230 -9.562 1.00 33.02 O HETATM 1222 O HOH 67 -14.749 -2.861 5.775 1.00 27.55 O HETATM 1223 O HOH 68 -15.187 -10.862 0.172 1.00 32.31 O HETATM 1224 O HOH 69 -14.474 -0.547 7.340 1.00 34.01 O HETATM 1225 O HOH 70 4.396 2.313 -13.009 1.00 36.72 O HETATM 1226 O HOH 71 6.151 -16.767 6.662 1.00 35.89 O HETATM 1227 O HOH 72 10.731 1.170 9.915 1.00 32.53 O HETATM 1228 O HOH 73 6.922 3.388 20.531 1.00 35.50 O HETATM 1229 O HOH 74 -2.454 5.941 -9.228 1.00 84.89 O HETATM 1230 O HOH 75 -2.819 -20.755 1.755 1.00 36.21 O HETATM 1231 O HOH 76 -1.630 -15.371 -5.507 1.00 45.82 O HETATM 1232 O HOH 77 -10.757 1.930 0.478 1.00 37.33 O HETATM 1233 O HOH 78 -12.909 0.777 -4.859 1.00 41.61 O HETATM 1234 O HOH 79 7.125 1.050 20.806 1.00 37.09 O HETATM 1235 O HOH 80 -3.157 20.682 5.808 1.00 45.14 O HETATM 1236 O HOH 81 4.143 -13.552 -14.412 1.00 35.27 O HETATM 1237 O HOH 82 -8.234 -2.228 19.364 1.00 34.78 O HETATM 1238 O HOH 83 -14.200 -7.831 -1.687 1.00 36.65 O HETATM 1239 O HOH 84 2.039 -3.647 20.333 1.00 41.42 O HETATM 1240 O HOH 85 -3.177 8.630 15.429 1.00 41.39 O HETATM 1241 O HOH 86 -1.534 17.734 4.107 1.00 40.49 O HETATM 1242 O HOH 87 -10.263 4.947 18.479 1.00 39.56 O HETATM 1243 O HOH 88 -10.057 4.771 7.538 1.00 31.91 O HETATM 1244 O HOH 89 4.275 -18.665 5.757 1.00 55.59 O HETATM 1245 O HOH 90 -4.611 -17.438 -6.104 1.00 35.27 O HETATM 1246 O HOH 91 -15.092 1.407 5.313 1.00 64.23 O HETATM 1247 O HOH 92 9.611 2.463 -2.848 1.00 21.21 O HETATM 1248 O HOH 93 -5.237 8.952 8.856 1.00 21.64 O HETATM 1249 O HOH 94 -8.177 -21.385 15.479 1.00 23.70 O HETATM 1250 O HOH 95 -15.189 -1.521 9.066 1.00 34.04 O HETATM 1251 O HOH 96 -9.260 -15.330 20.660 1.00 33.72 O HETATM 1252 O HOH 97 8.677 -4.116 11.836 1.00 34.22 O HETATM 1253 O HOH 98 -1.403 6.747 -11.300 1.00 56.08 O HETATM 1254 O HOH 99 3.998 8.730 18.734 1.00 30.46 O HETATM 1255 O HOH 100 -14.571 -3.817 -0.293 1.00 41.58 O HETATM 1256 O HOH 101 -14.146 -1.871 0.679 1.00 45.15 O HETATM 1257 O HOH 102 -9.413 -7.909 -6.625 1.00 51.78 O HETATM 1258 O HOH 103 13.417 3.374 3.912 1.00 49.97 O HETATM 1259 O HOH 104 -0.432 -14.161 -3.358 1.00 29.05 O HETATM 1260 O HOH 105 11.925 2.722 -3.443 1.00 65.74 O HETATM 1261 O HOH 106 -12.528 -1.428 -5.160 1.00 40.86 O HETATM 1262 O HOH 107 1.454 25.152 4.731 1.00 47.19 O HETATM 1263 O HOH 108 6.019 -1.142 -10.527 1.00 39.04 O HETATM 1264 O HOH 109 -9.735 -12.386 -5.574 1.00 26.51 O HETATM 1265 O HOH 110 -10.656 -0.464 -5.819 1.00 40.19 O HETATM 1266 O HOH 111 8.419 12.881 -18.012 1.00 37.24 O HETATM 1267 O HOH 112 -4.361 -6.924 21.406 1.00 39.67 O HETATM 1268 O HOH 113 -13.458 3.361 6.374 1.00 43.60 O HETATM 1269 O HOH 114 7.012 -16.553 8.898 1.00 20.71 O HETATM 1270 O HOH 115 -3.673 -2.203 20.860 1.00 25.15 O HETATM 1271 O HOH 116 -7.013 -11.342 -12.839 1.00 27.46 O HETATM 1272 O HOH 117 1.173 -12.892 -10.531 1.00 42.17 O HETATM 1273 O HOH 118 -16.035 5.825 11.162 1.00 39.80 O HETATM 1274 O HOH 119 7.940 -13.737 10.349 1.00 38.22 O HETATM 1275 O HOH 120 4.613 1.078 23.019 1.00 55.67 O HETATM 1276 O HOH 121 -12.518 9.544 12.246 1.00 46.56 O HETATM 1277 O HOH 122 12.757 4.939 2.317 1.00 63.14 O HETATM 1278 O HOH 123 -9.819 -19.932 4.635 1.00 34.40 O HETATM 1279 O HOH 124 3.738 14.388 -11.407 1.00 72.89 O HETATM 1280 O HOH 125 2.054 7.277 18.694 1.00 78.75 O HETATM 1281 O HOH 126 4.720 14.705 4.504 1.00 45.49 O HETATM 1282 O HOH 127 12.532 -7.125 7.286 1.00 41.80 O HETATM 1283 O HOH 128 -10.776 7.861 11.939 1.00 42.47 O HETATM 1284 O HOH 129 -9.464 -20.186 6.792 1.00 41.13 O HETATM 1285 O HOH 130 -9.756 -22.988 15.352 1.00 45.34 O HETATM 1286 O HOH 131 -7.296 -9.655 -8.266 1.00 35.25 O HETATM 1287 O HOH 132 5.982 15.236 6.463 1.00 38.10 O HETATM 1288 O HOH 133 2.702 -21.059 3.476 1.00 56.73 O HETATM 1289 O HOH 134 -8.377 6.915 7.348 1.00 33.08 O HETATM 1290 O HOH 135 -1.718 -13.807 -9.197 1.00 39.82 O HETATM 1291 O HOH 136 -8.054 16.299 -2.292 1.00 54.61 O HETATM 1292 O HOH 137 7.037 11.353 -0.624 1.00 48.67 O HETATM 1293 O HOH 138 5.203 11.586 -2.251 1.00 49.50 O HETATM 1294 O HOH 139 0.728 -18.298 -0.180 1.00 38.31 O HETATM 1295 C10 UNN A 140 -4.866 9.338 3.698 1.00 0.05 C HETATM 1296 C08 UNN A 140 -4.105 8.612 2.798 1.00 0.05 C HETATM 1297 C07 UNN A 140 -3.928 9.062 1.502 1.00 -0.01 C HETATM 1298 C06 UNN A 140 -4.522 10.250 1.112 1.00 0.11 C HETATM 1299 C13 UNN A 140 -5.276 10.982 2.014 1.00 -0.02 C HETATM 1300 C12 UNN A 140 -5.451 10.526 3.308 1.00 -0.05 C HETATM 1301 H UNN A 140 -6.044 11.098 4.012 1.00 0.06 H HETATM 1302 H UNN A 140 -5.731 11.916 1.705 1.00 0.06 H HETATM 1303 N05 UNN A 140 -4.351 10.752 -0.212 1.00 -0.15 N HETATM 1304 N04 UNN A 140 -5.325 10.836 -1.095 1.00 -0.18 N HETATM 1305 C03 UNN A 140 -4.871 11.355 -2.223 1.00 0.07 C HETATM 1306 C02 UNN A 140 -5.693 11.589 -3.439 1.00 0.07 C HETATM 1307 O01 UNN A 140 -6.916 11.289 -3.415 1.00 -0.56 O HETATM 1308 O40 UNN A 140 -5.162 12.066 -4.474 1.00 -0.56 O HETATM 1309 C39 UNN A 140 -3.488 11.636 -2.049 1.00 -0.02 C HETATM 1310 C14 UNN A 140 -3.215 11.230 -0.713 1.00 0.11 C HETATM 1311 C15 UNN A 140 -1.899 11.293 -0.026 1.00 0.02 C HETATM 1312 C16 UNN A 140 -0.744 11.007 -0.738 1.00 -0.05 C HETATM 1313 C17 UNN A 140 0.489 11.060 -0.106 1.00 -0.04 C HETATM 1314 C18 UNN A 140 0.558 11.396 1.238 1.00 0.03 C HETATM 1315 C19 UNN A 140 1.866 11.450 1.939 1.00 0.08 C HETATM 1316 N20 UNN A 140 2.859 12.365 1.466 1.00 -0.29 N HETATM 1317 C21 UNN A 140 4.160 12.153 2.034 1.00 0.07 C HETATM 1318 C22 UNN A 140 4.936 10.901 1.794 1.00 -0.02 C HETATM 1319 C23 UNN A 140 6.037 10.666 2.600 1.00 -0.06 C HETATM 1320 C24 UNN A 140 6.806 9.532 2.416 1.00 -0.06 C HETATM 1321 C25 UNN A 140 6.469 8.624 1.427 1.00 0.01 C HETATM 1322 C26 UNN A 140 7.314 7.424 1.219 1.00 0.12 C HETATM 1323 C27 UNN A 140 8.290 6.906 2.078 1.00 -0.05 C HETATM 1324 C28 UNN A 140 8.836 5.774 1.389 1.00 -0.05 C HETATM 1325 C29 UNN A 140 8.132 5.713 0.182 1.00 0.15 C HETATM 1326 C30 UNN A 140 8.279 4.749 -0.933 1.00 0.09 C HETATM 1327 O31 UNN A 140 9.239 3.934 -0.971 1.00 -0.56 O HETATM 1328 O32 UNN A 140 7.415 4.782 -1.848 1.00 -0.56 O HETATM 1329 O33 UNN A 140 7.282 6.697 0.139 1.00 -0.25 O HETATM 1330 H UNN A 140 9.626 5.107 1.731 1.00 0.04 H HETATM 1331 H UNN A 140 8.574 7.282 3.060 1.00 0.04 H HETATM 1332 C34 UNN A 140 5.380 8.861 0.600 1.00 -0.06 C HETATM 1333 C35 UNN A 140 4.607 10.001 0.784 1.00 -0.06 C HETATM 1334 H UNN A 140 3.752 10.189 0.144 1.00 0.06 H HETATM 1335 H UNN A 140 5.133 8.158 -0.188 1.00 0.06 H HETATM 1336 H UNN A 140 7.671 9.354 3.045 1.00 0.06 H HETATM 1337 H UNN A 140 6.297 11.374 3.378 1.00 0.06 H HETATM 1338 H UNN A 140 4.791 12.979 1.674 1.00 0.07 H HETATM 1339 H UNN A 140 4.036 12.234 3.124 1.00 0.07 H HETATM 1340 H UNN A 140 2.664 13.086 0.801 1.00 0.20 H HETATM 1341 S36 UNN A 140 1.945 10.789 3.465 1.00 -0.25 S HETATM 1342 C37 UNN A 140 -0.593 11.674 1.950 1.00 -0.04 C HETATM 1343 C38 UNN A 140 -1.820 11.632 1.317 1.00 -0.05 C HETATM 1344 H UNN A 140 -2.723 11.864 1.871 1.00 0.06 H HETATM 1345 H UNN A 140 -0.533 11.925 3.003 1.00 0.07 H HETATM 1346 H UNN A 140 1.395 10.840 -0.660 1.00 0.07 H HETATM 1347 H UNN A 140 -0.805 10.742 -1.787 1.00 0.06 H HETATM 1348 H UNN A 140 -2.796 12.064 -2.773 1.00 0.04 H HETATM 1349 H UNN A 140 -3.331 8.491 0.800 1.00 0.06 H HETATM 1350 CL0 UNN A 140 -3.375 7.124 3.274 1.00 -0.07 CL HETATM 1351 CL1 UNN A 140 -5.103 8.786 5.314 1.00 -0.08 CL CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1295 1296 1300 1351 CONECT 1296 1295 1297 1350 CONECT 1297 1296 1298 1349 CONECT 1298 1297 1299 1303 CONECT 1299 1298 1300 1302 CONECT 1300 1295 1299 1301 CONECT 1301 1300 CONECT 1302 1299 CONECT 1303 1298 1304 1310 CONECT 1304 1303 1305 CONECT 1305 1304 1306 1309 CONECT 1306 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1305 1310 1348 CONECT 1310 1303 1309 1311 CONECT 1311 1310 1312 1343 CONECT 1312 1311 1313 1347 CONECT 1313 1312 1314 1346 CONECT 1314 1313 1315 1342 CONECT 1315 1314 1316 1341 CONECT 1316 1315 1317 1340 CONECT 1317 1316 1318 1338 1339 CONECT 1318 1317 1319 1333 CONECT 1319 1318 1320 1337 CONECT 1320 1319 1321 1336 CONECT 1321 1320 1322 1332 CONECT 1322 1321 1323 1329 CONECT 1323 1322 1324 1331 CONECT 1324 1323 1325 1330 CONECT 1325 1324 1326 1329 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1322 1325 CONECT 1330 1324 CONECT 1331 1323 CONECT 1332 1321 1333 1335 CONECT 1333 1318 1332 1334 CONECT 1334 1333 CONECT 1335 1332 CONECT 1336 1320 CONECT 1337 1319 CONECT 1338 1317 CONECT 1339 1317 CONECT 1340 1316 CONECT 1341 1315 CONECT 1342 1314 1343 1345 CONECT 1343 1311 1342 1344 CONECT 1344 1343 CONECT 1345 1342 CONECT 1346 1313 CONECT 1347 1312 CONECT 1348 1309 CONECT 1349 1297 CONECT 1350 1296 CONECT 1351 1295 MASTER 0 0 0 0 0 0 0 0 1350 1 61 10 END
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Related entries of code: 4r4o
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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123aa, >4IJH_1|Chain... *
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4luv
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4lw1
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PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
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123aa, >4LWC_1|Chain... at 100%
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PDBbind
123aa, >4O0A_1|Chain... at 100%
4r4c
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PDBbind
123aa, >4R4C_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
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5e7n
RCSB PDB
PDBbind
123aa, >5E7N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4r4o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Replication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name
3HW
EC.Number
E.C.-.-.-.-
Resolution
1.33(Å)
Affinity (Kd/Ki/IC50)
Kd=1.5uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) ACS Med.Chem.Lett.Vol.6: pp.140-145
Ligand Properties
Formula
C
2
9
H
1
9
Cl
2
N
3
O
5
S
Molecular Weight
592.449
Exact Mass
591.042
No. of atoms
59
No. of bonds
63
Polar Surface Area
149.68
LOGP Value
8.20 (
Computed with XLOGP3
)
7.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
S=C(c1ccc(cc1)c1cc(nn1c1ccc(c(c1)Cl)Cl)C(=O)O)NCc1ccc(cc1)c1ccc(o1)C(=O)O
InChI String
InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-5-7-19(8-6-17)27(40)32-15-16-1-3-18(4-2-16)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)
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):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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