Browse entries in the PDBbind-CN Database
HEADER 4LWC_COMPLEX COMPND 4LWC_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 217 55 ATOM 1 N GLY A -2 -7.833 -22.099 8.942 1.00 35.17 N ATOM 2 CA GLY A -2 -8.723 -23.078 9.539 1.00 35.43 C ATOM 3 C GLY A -2 -9.779 -22.443 10.416 1.00 31.35 C ATOM 4 O GLY A -2 -10.087 -21.263 10.262 1.00 27.55 O ATOM 5 HA3 GLY A -2 -8.132 -23.765 10.145 1.00 0.00 H ATOM 6 HA2 GLY A -2 -9.218 -23.633 8.742 1.00 0.00 H ATOM 7 HN3 GLY A -2 -7.349 -21.569 9.694 1.00 0.00 H ATOM 8 HN2 GLY A -2 -8.386 -21.443 8.354 1.00 0.00 H ATOM 9 HN1 GLY A -2 -7.129 -22.587 8.352 1.00 0.00 H ATOM 10 N SER A -1 -10.346 -23.239 11.319 1.00 30.80 N ATOM 11 CA SER A -1 -11.327 -22.765 12.291 1.00 28.07 C ATOM 12 C SER A -1 -10.763 -21.592 13.074 1.00 23.45 C ATOM 13 O SER A -1 -9.540 -21.421 13.150 1.00 21.18 O ATOM 14 CB SER A -1 -11.722 -23.888 13.255 1.00 30.08 C ATOM 15 OG SER A -1 -12.428 -24.923 12.596 1.00 32.96 O ATOM 16 HA SER A -1 -12.216 -22.442 11.749 1.00 0.00 H ATOM 17 HB2 SER A -1 -12.355 -23.473 14.040 1.00 0.00 H ATOM 18 HB3 SER A -1 -10.819 -24.305 13.700 1.00 0.00 H ATOM 19 HG SER A -1 -11.857 -25.309 11.885 1.00 0.00 H ATOM 20 H SER A -1 -10.078 -24.244 11.333 1.00 0.00 H ATOM 21 N HIS A 0 -11.657 -20.785 13.646 1.00 19.05 N ATOM 22 CA HIS A 0 -11.258 -19.608 14.413 1.00 16.56 C ATOM 23 C HIS A 0 -10.454 -18.668 13.517 1.00 14.75 C ATOM 24 O HIS A 0 -9.304 -18.340 13.805 1.00 14.93 O ATOM 25 CB HIS A 0 -10.458 -20.042 15.654 1.00 18.88 C ATOM 26 CG HIS A 0 -10.087 -18.922 16.570 1.00 19.68 C ATOM 27 ND1 HIS A 0 -10.997 -17.978 17.005 1.00 22.06 N ATOM 28 CD2 HIS A 0 -8.905 -18.596 17.146 1.00 17.59 C ATOM 29 CE1 HIS A 0 -10.385 -17.117 17.801 1.00 17.72 C ATOM 30 NE2 HIS A 0 -9.119 -17.468 17.903 1.00 16.05 N ATOM 31 HA HIS A 0 -12.139 -19.069 14.761 1.00 0.00 H ATOM 32 HB2 HIS A 0 -11.060 -20.757 16.215 1.00 0.00 H ATOM 33 HB3 HIS A 0 -9.541 -20.526 15.317 1.00 0.00 H ATOM 34 HD2 HIS A 0 -7.961 -19.128 17.031 1.00 0.00 H ATOM 35 HE1 HIS A 0 -10.850 -16.261 18.290 1.00 0.00 H ATOM 36 H HIS A 0 -12.669 -21.000 13.543 1.00 0.00 H ATOM 37 N MET A 1 -11.065 -18.234 12.420 1.00 13.92 N ATOM 38 CA MET A 1 -10.338 -17.457 11.421 1.00 12.39 C ATOM 39 C MET A 1 -9.704 -16.189 11.964 1.00 11.18 C ATOM 40 O MET A 1 -8.625 -15.797 11.524 1.00 12.94 O ATOM 41 CB MET A 1 -11.224 -17.134 10.216 1.00 13.24 C ATOM 42 CG MET A 1 -11.554 -18.357 9.402 1.00 16.32 C ATOM 43 SD MET A 1 -12.337 -17.961 7.835 1.00 20.82 S ATOM 44 CE MET A 1 -13.908 -17.330 8.421 1.00 28.31 C ATOM 45 HA MET A 1 -9.516 -18.098 11.103 1.00 0.00 H ATOM 46 HB2 MET A 1 -12.153 -16.690 10.573 1.00 0.00 H ATOM 47 HB3 MET A 1 -10.702 -16.420 9.579 1.00 0.00 H ATOM 48 HG2 MET A 1 -12.230 -18.988 9.979 1.00 0.00 H ATOM 49 HG3 MET A 1 -10.631 -18.902 9.203 1.00 0.00 H ATOM 50 HE1 MET A 1 -14.421 -18.106 8.989 1.00 0.00 H ATOM 51 HE2 MET A 1 -13.735 -16.465 9.061 1.00 0.00 H ATOM 52 HE3 MET A 1 -14.521 -17.036 7.569 1.00 0.00 H ATOM 53 H MET A 1 -12.071 -18.450 12.272 1.00 0.00 H ATOM 54 N VAL A 2 -10.361 -15.541 12.921 1.00 11.02 N ATOM 55 CA VAL A 2 -9.839 -14.279 13.439 1.00 10.90 C ATOM 56 C VAL A 2 -8.530 -14.499 14.208 1.00 10.75 C ATOM 57 O VAL A 2 -7.752 -13.562 14.412 1.00 10.40 O ATOM 58 CB VAL A 2 -10.890 -13.537 14.301 1.00 13.87 C ATOM 59 CG1 VAL A 2 -11.019 -14.191 15.673 1.00 14.40 C ATOM 60 CG2 VAL A 2 -10.537 -12.056 14.416 1.00 18.33 C ATOM 61 HA VAL A 2 -9.617 -13.638 12.586 1.00 0.00 H ATOM 62 HB VAL A 2 -11.860 -13.610 13.809 1.00 0.00 H ATOM 63 HG11 VAL A 2 -11.330 -15.229 15.552 1.00 0.00 H ATOM 64 HG12 VAL A 2 -10.056 -14.156 16.183 1.00 0.00 H ATOM 65 HG13 VAL A 2 -11.763 -13.654 16.262 1.00 0.00 H ATOM 66 HG21 VAL A 2 -9.558 -11.952 14.883 1.00 0.00 H ATOM 67 HG22 VAL A 2 -10.515 -11.611 13.421 1.00 0.00 H ATOM 68 HG23 VAL A 2 -11.287 -11.551 15.025 1.00 0.00 H ATOM 69 H VAL A 2 -11.246 -15.933 13.301 1.00 0.00 H ATOM 70 N GLY A 3 -8.279 -15.744 14.614 1.00 10.75 N ATOM 71 CA GLY A 3 -7.027 -16.100 15.259 1.00 11.54 C ATOM 72 C GLY A 3 -5.831 -16.017 14.325 1.00 12.01 C ATOM 73 O GLY A 3 -4.685 -16.078 14.771 1.00 13.19 O ATOM 74 HA3 GLY A 3 -7.106 -17.121 15.632 1.00 0.00 H ATOM 75 HA2 GLY A 3 -6.862 -15.421 16.096 1.00 0.00 H ATOM 76 H GLY A 3 -8.999 -16.480 14.465 1.00 0.00 H ATOM 77 N GLN A 4 -6.091 -15.864 13.027 1.00 12.32 N ATOM 78 CA GLN A 4 -5.018 -15.733 12.055 1.00 13.70 C ATOM 79 C GLN A 4 -4.480 -14.311 12.004 1.00 11.48 C ATOM 80 O GLN A 4 -3.414 -14.080 11.431 1.00 12.16 O ATOM 81 CB GLN A 4 -5.497 -16.163 10.667 1.00 16.48 C ATOM 82 CG GLN A 4 -5.830 -17.639 10.563 1.00 19.46 C ATOM 83 CD GLN A 4 -4.598 -18.512 10.603 1.00 23.07 C ATOM 84 OE1 GLN A 4 -3.788 -18.498 9.679 1.00 23.56 O ATOM 85 NE2 GLN A 4 -4.444 -19.272 11.678 1.00 26.31 N ATOM 86 HA GLN A 4 -4.207 -16.389 12.371 1.00 0.00 H ATOM 87 HB2 GLN A 4 -6.391 -15.591 10.419 1.00 0.00 H ATOM 88 HB3 GLN A 4 -4.711 -15.936 9.947 1.00 0.00 H ATOM 89 HG2 GLN A 4 -6.479 -17.911 11.395 1.00 0.00 H ATOM 90 HG3 GLN A 4 -6.353 -17.815 9.623 1.00 0.00 H ATOM 91 HE22 GLN A 4 -5.156 -19.251 12.436 1.00 0.00 H ATOM 92 HE21 GLN A 4 -3.611 -19.889 11.764 1.00 0.00 H ATOM 93 H GLN A 4 -7.079 -15.838 12.704 1.00 0.00 H ATOM 94 N LEU A 5 -5.208 -13.370 12.611 1.00 7.73 N ATOM 95 CA LEU A 5 -4.876 -11.942 12.493 1.00 7.55 C ATOM 96 C LEU A 5 -4.357 -11.366 13.808 1.00 8.95 C ATOM 97 O LEU A 5 -4.732 -11.820 14.906 1.00 10.76 O ATOM 98 CB LEU A 5 -6.094 -11.145 12.032 1.00 8.91 C ATOM 99 CG LEU A 5 -6.698 -11.546 10.690 1.00 8.23 C ATOM 100 CD1 LEU A 5 -7.814 -10.569 10.298 1.00 10.63 C ATOM 101 CD2 LEU A 5 -5.626 -11.617 9.592 1.00 9.10 C ATOM 102 HA LEU A 5 -4.083 -11.859 11.750 1.00 0.00 H ATOM 103 HB2 LEU A 5 -6.869 -11.254 12.791 1.00 0.00 H ATOM 104 HB3 LEU A 5 -5.799 -10.098 11.964 1.00 0.00 H ATOM 105 HG LEU A 5 -7.126 -12.543 10.796 1.00 0.00 H ATOM 106 HD21 LEU A 5 -5.155 -10.640 9.482 1.00 0.00 H ATOM 107 HD22 LEU A 5 -4.873 -12.356 9.868 1.00 0.00 H ATOM 108 HD23 LEU A 5 -6.092 -11.905 8.650 1.00 0.00 H ATOM 109 HD11 LEU A 5 -8.593 -10.585 11.060 1.00 0.00 H ATOM 110 HD12 LEU A 5 -7.403 -9.563 10.218 1.00 0.00 H ATOM 111 HD13 LEU A 5 -8.236 -10.867 9.338 1.00 0.00 H ATOM 112 H LEU A 5 -6.030 -13.654 13.181 1.00 0.00 H ATOM 113 N SER A 6 -3.493 -10.360 13.698 1.00 7.82 N ATOM 114 CA SER A 6 -2.889 -9.752 14.884 1.00 9.76 C ATOM 115 C SER A 6 -3.838 -8.779 15.561 1.00 11.54 C ATOM 116 O SER A 6 -3.645 -7.563 15.469 1.00 10.33 O ATOM 117 CB SER A 6 -1.612 -9.018 14.496 1.00 9.51 C ATOM 118 OG SER A 6 -0.585 -9.932 14.209 1.00 9.81 O ATOM 119 HA SER A 6 -2.663 -10.554 15.587 1.00 0.00 H ATOM 120 HB2 SER A 6 -1.302 -8.377 15.321 1.00 0.00 H ATOM 121 HB3 SER A 6 -1.804 -8.406 13.615 1.00 0.00 H ATOM 122 HG SER A 6 0.235 -9.437 13.959 1.00 0.00 H ATOM 123 H SER A 6 -3.243 -10.000 12.755 1.00 0.00 H ATOM 124 N ARG A 7 -4.849 -9.314 16.247 1.00 10.72 N ATOM 125 CA ARG A 7 -5.848 -8.484 16.909 1.00 9.73 C ATOM 126 C ARG A 7 -5.194 -7.498 17.858 1.00 10.14 C ATOM 127 O ARG A 7 -4.391 -7.881 18.721 1.00 12.96 O ATOM 128 CB ARG A 7 -6.847 -9.360 17.666 1.00 9.35 C ATOM 129 CG ARG A 7 -7.797 -10.100 16.750 1.00 11.93 C ATOM 130 CD ARG A 7 -8.712 -10.999 17.555 1.00 12.73 C ATOM 131 NE ARG A 7 -8.013 -12.209 17.987 1.00 12.06 N ATOM 132 CZ ARG A 7 -8.559 -13.164 18.734 1.00 15.96 C ATOM 133 NH1 ARG A 7 -9.815 -13.059 19.141 1.00 16.78 N ATOM 134 NH2 ARG A 7 -7.852 -14.236 19.056 1.00 16.88 N ATOM 135 HA ARG A 7 -6.380 -7.919 16.144 1.00 0.00 H ATOM 136 HB2 ARG A 7 -6.292 -10.090 18.255 1.00 0.00 H ATOM 137 HB3 ARG A 7 -7.431 -8.725 18.333 1.00 0.00 H ATOM 138 HG2 ARG A 7 -8.398 -9.379 16.196 1.00 0.00 H ATOM 139 HG3 ARG A 7 -7.222 -10.706 16.050 1.00 0.00 H ATOM 140 HD2 ARG A 7 -9.566 -11.281 16.940 1.00 0.00 H ATOM 141 HD3 ARG A 7 -9.062 -10.457 18.433 1.00 0.00 H ATOM 142 HE ARG A 7 -7.024 -12.330 17.690 1.00 0.00 H ATOM 143 HH12 ARG A 7 -10.237 -13.809 19.725 1.00 0.00 H ATOM 144 HH11 ARG A 7 -10.379 -12.227 18.877 1.00 0.00 H ATOM 145 HH22 ARG A 7 -8.278 -14.984 19.640 1.00 0.00 H ATOM 146 HH21 ARG A 7 -6.871 -14.331 18.725 1.00 0.00 H ATOM 147 H ARG A 7 -4.927 -10.349 16.311 1.00 0.00 H ATOM 148 N GLY A 8 -5.524 -6.223 17.680 1.00 11.96 N ATOM 149 CA GLY A 8 -4.965 -5.181 18.514 1.00 13.05 C ATOM 150 C GLY A 8 -3.787 -4.445 17.902 1.00 11.96 C ATOM 151 O GLY A 8 -3.336 -3.431 18.446 1.00 14.50 O ATOM 152 HA3 GLY A 8 -4.635 -5.634 19.449 1.00 0.00 H ATOM 153 HA2 GLY A 8 -5.750 -4.454 18.722 1.00 0.00 H ATOM 154 H GLY A 8 -6.196 -5.970 16.928 1.00 0.00 H ATOM 155 N ALA A 9 -3.274 -4.942 16.777 1.00 8.97 N ATOM 156 CA ALA A 9 -2.123 -4.308 16.146 1.00 8.90 C ATOM 157 C ALA A 9 -2.406 -2.894 15.642 1.00 9.42 C ATOM 158 O ALA A 9 -1.532 -2.025 15.705 1.00 11.76 O ATOM 159 CB ALA A 9 -1.584 -5.171 15.012 1.00 10.04 C ATOM 160 HA ALA A 9 -1.367 -4.216 16.926 1.00 0.00 H ATOM 161 HB1 ALA A 9 -1.279 -6.140 15.408 1.00 0.00 H ATOM 162 HB2 ALA A 9 -2.363 -5.312 14.263 1.00 0.00 H ATOM 163 HB3 ALA A 9 -0.726 -4.676 14.557 1.00 0.00 H ATOM 164 H ALA A 9 -3.698 -5.788 16.346 1.00 0.00 H ATOM 165 N ILE A 10 -3.610 -2.656 15.131 1.00 9.56 N ATOM 166 CA ILE A 10 -3.921 -1.326 14.626 1.00 11.36 C ATOM 167 C ILE A 10 -3.871 -0.296 15.755 1.00 13.07 C ATOM 168 O ILE A 10 -3.264 0.761 15.605 1.00 14.82 O ATOM 169 CB ILE A 10 -5.246 -1.306 13.857 1.00 12.22 C ATOM 170 CG1 ILE A 10 -5.032 -1.984 12.496 1.00 12.87 C ATOM 171 CG2 ILE A 10 -5.762 0.121 13.679 1.00 15.59 C ATOM 172 CD1 ILE A 10 -6.302 -2.326 11.782 1.00 13.89 C ATOM 173 HA ILE A 10 -3.155 -1.045 13.903 1.00 0.00 H ATOM 174 HB ILE A 10 -6.001 -1.849 14.425 1.00 0.00 H ATOM 175 HG12 ILE A 10 -4.453 -1.310 11.864 1.00 0.00 H ATOM 176 HG13 ILE A 10 -4.469 -2.904 12.655 1.00 0.00 H ATOM 177 HD11 ILE A 10 -6.889 -3.010 12.395 1.00 0.00 H ATOM 178 HD12 ILE A 10 -6.873 -1.415 11.603 1.00 0.00 H ATOM 179 HD13 ILE A 10 -6.065 -2.801 10.830 1.00 0.00 H ATOM 180 HG21 ILE A 10 -5.921 0.573 14.658 1.00 0.00 H ATOM 181 HG22 ILE A 10 -5.028 0.705 13.123 1.00 0.00 H ATOM 182 HG23 ILE A 10 -6.703 0.100 13.130 1.00 0.00 H ATOM 183 H ILE A 10 -4.323 -3.412 15.092 1.00 0.00 H ATOM 184 N ALA A 11 -4.471 -0.623 16.897 1.00 14.44 N ATOM 185 CA ALA A 11 -4.410 0.282 18.049 1.00 16.12 C ATOM 186 C ALA A 11 -2.964 0.491 18.509 1.00 17.53 C ATOM 187 O ALA A 11 -2.571 1.604 18.856 1.00 23.17 O ATOM 188 CB ALA A 11 -5.261 -0.247 19.183 1.00 18.57 C ATOM 189 HA ALA A 11 -4.806 1.250 17.741 1.00 0.00 H ATOM 190 HB1 ALA A 11 -6.296 -0.330 18.851 1.00 0.00 H ATOM 191 HB2 ALA A 11 -4.895 -1.229 19.483 1.00 0.00 H ATOM 192 HB3 ALA A 11 -5.203 0.438 20.029 1.00 0.00 H ATOM 193 H ALA A 11 -4.985 -1.524 16.973 1.00 0.00 H ATOM 194 N ALA A 12 -2.174 -0.580 18.499 1.00 17.11 N ATOM 195 CA ALA A 12 -0.769 -0.493 18.903 1.00 20.21 C ATOM 196 C ALA A 12 0.020 0.463 18.011 1.00 22.20 C ATOM 197 O ALA A 12 0.836 1.245 18.496 1.00 25.20 O ATOM 198 CB ALA A 12 -0.122 -1.871 18.900 1.00 20.28 C ATOM 199 HA ALA A 12 -0.748 -0.095 19.917 1.00 0.00 H ATOM 200 HB1 ALA A 12 -0.650 -2.521 19.598 1.00 0.00 H ATOM 201 HB2 ALA A 12 -0.175 -2.294 17.897 1.00 0.00 H ATOM 202 HB3 ALA A 12 0.921 -1.782 19.203 1.00 0.00 H ATOM 203 H ALA A 12 -2.562 -1.497 18.198 1.00 0.00 H ATOM 204 N ILE A 13 -0.216 0.386 16.705 1.00 16.42 N ATOM 205 CA ILE A 13 0.487 1.231 15.742 1.00 19.39 C ATOM 206 C ILE A 13 0.097 2.698 15.900 1.00 23.11 C ATOM 207 O ILE A 13 0.958 3.584 15.943 1.00 25.52 O ATOM 208 CB ILE A 13 0.196 0.782 14.293 1.00 16.92 C ATOM 209 CG1 ILE A 13 0.753 -0.623 14.046 1.00 18.02 C ATOM 210 CG2 ILE A 13 0.784 1.772 13.284 1.00 21.18 C ATOM 211 CD1 ILE A 13 0.269 -1.259 12.757 1.00 19.60 C ATOM 212 HA ILE A 13 1.553 1.125 15.944 1.00 0.00 H ATOM 213 HB ILE A 13 -0.885 0.759 14.157 1.00 0.00 H ATOM 214 HG12 ILE A 13 1.841 -0.560 14.010 1.00 0.00 H ATOM 215 HG13 ILE A 13 0.454 -1.262 14.877 1.00 0.00 H ATOM 216 HD11 ILE A 13 -0.818 -1.342 12.780 1.00 0.00 H ATOM 217 HD12 ILE A 13 0.570 -0.639 11.912 1.00 0.00 H ATOM 218 HD13 ILE A 13 0.708 -2.251 12.656 1.00 0.00 H ATOM 219 HG21 ILE A 13 0.341 2.756 13.442 1.00 0.00 H ATOM 220 HG22 ILE A 13 1.864 1.832 13.422 1.00 0.00 H ATOM 221 HG23 ILE A 13 0.564 1.431 12.272 1.00 0.00 H ATOM 222 H ILE A 13 -0.921 -0.295 16.359 1.00 0.00 H ATOM 223 N MET A 14 -1.204 2.946 16.002 1.00 22.96 N ATOM 224 CA MET A 14 -1.721 4.312 16.010 1.00 26.28 C ATOM 225 C MET A 14 -1.475 5.050 17.324 1.00 29.58 C ATOM 226 O MET A 14 -1.276 6.272 17.323 1.00 32.72 O ATOM 227 CB MET A 14 -3.213 4.320 15.665 1.00 25.85 C ATOM 228 CG MET A 14 -3.521 3.917 14.221 1.00 25.08 C ATOM 229 SD MET A 14 -2.775 4.998 12.971 1.00 32.15 S ATOM 230 CE MET A 14 -4.171 6.014 12.507 1.00 36.54 C ATOM 231 HA MET A 14 -1.164 4.854 15.246 1.00 0.00 H ATOM 232 HB2 MET A 14 -3.723 3.624 16.331 1.00 0.00 H ATOM 233 HB3 MET A 14 -3.598 5.327 15.830 1.00 0.00 H ATOM 234 HG2 MET A 14 -4.602 3.932 14.085 1.00 0.00 H ATOM 235 HG3 MET A 14 -3.151 2.904 14.062 1.00 0.00 H ATOM 236 HE1 MET A 14 -4.965 5.380 12.113 1.00 0.00 H ATOM 237 HE2 MET A 14 -4.535 6.551 13.383 1.00 0.00 H ATOM 238 HE3 MET A 14 -3.861 6.728 11.744 1.00 0.00 H ATOM 239 H MET A 14 -1.869 2.150 16.078 1.00 0.00 H ATOM 240 N GLN A 15 -1.486 4.317 18.437 1.00 33.42 N ATOM 241 CA GLN A 15 -1.313 4.928 19.758 1.00 38.25 C ATOM 242 C GLN A 15 0.118 4.841 20.279 1.00 39.61 C ATOM 243 O GLN A 15 0.802 5.861 20.419 1.00 39.07 O ATOM 244 CB GLN A 15 -2.261 4.286 20.776 1.00 39.03 C ATOM 245 CG GLN A 15 -3.732 4.487 20.471 1.00 41.71 C ATOM 246 CD GLN A 15 -4.619 3.457 21.149 1.00 44.40 C ATOM 247 OE1 GLN A 15 -5.755 3.228 20.733 1.00 45.77 O ATOM 248 NE2 GLN A 15 -4.102 2.828 22.195 1.00 46.88 N ATOM 249 HA GLN A 15 -1.551 5.984 19.634 1.00 0.00 H ATOM 250 HB2 GLN A 15 -2.061 3.215 20.802 1.00 0.00 H ATOM 251 HB3 GLN A 15 -2.053 4.717 21.755 1.00 0.00 H ATOM 252 HG2 GLN A 15 -4.026 5.479 20.812 1.00 0.00 H ATOM 253 HG3 GLN A 15 -3.877 4.417 19.393 1.00 0.00 H ATOM 254 HE22 GLN A 15 -3.138 3.053 22.513 1.00 0.00 H ATOM 255 HE21 GLN A 15 -4.661 2.110 22.698 1.00 0.00 H ATOM 256 H GLN A 15 -1.620 3.288 18.367 1.00 0.00 H ATOM 257 N LYS A 16 0.553 3.623 20.593 1.00 37.15 N ATOM 258 CA LYS A 16 1.878 3.400 21.166 1.00 40.00 C ATOM 259 C LYS A 16 2.961 3.812 20.179 1.00 40.76 C ATOM 260 O LYS A 16 4.065 4.183 20.574 1.00 42.11 O ATOM 261 CB LYS A 16 2.066 1.924 21.542 1.00 39.54 C ATOM 262 CG LYS A 16 2.153 1.646 23.046 1.00 43.55 C ATOM 263 CD LYS A 16 0.777 1.496 23.686 1.00 45.21 C ATOM 264 CE LYS A 16 0.884 1.081 25.154 1.00 47.70 C ATOM 265 NZ LYS A 16 1.354 2.183 26.044 1.00 51.10 N ATOM 266 HA LYS A 16 1.961 4.009 22.066 1.00 0.00 H ATOM 267 HB2 LYS A 16 1.222 1.363 21.142 1.00 0.00 H ATOM 268 HB3 LYS A 16 2.987 1.571 21.079 1.00 0.00 H ATOM 269 HG2 LYS A 16 2.715 0.725 23.201 1.00 0.00 H ATOM 270 HG3 LYS A 16 2.675 2.473 23.526 1.00 0.00 H ATOM 271 HD2 LYS A 16 0.252 2.449 23.624 1.00 0.00 H ATOM 272 HD3 LYS A 16 0.214 0.737 23.143 1.00 0.00 H ATOM 273 HE2 LYS A 16 1.587 0.251 25.229 1.00 0.00 H ATOM 274 HE3 LYS A 16 -0.099 0.755 25.495 1.00 0.00 H ATOM 275 HZ1 LYS A 16 2.296 2.497 25.736 1.00 0.00 H ATOM 276 HZ2 LYS A 16 0.687 2.979 25.990 1.00 0.00 H ATOM 277 HZ3 LYS A 16 1.405 1.838 27.024 1.00 0.00 H ATOM 278 H LYS A 16 -0.069 2.806 20.426 1.00 0.00 H ATOM 279 N GLY A 17 2.637 3.750 18.892 1.00 39.72 N ATOM 280 CA GLY A 17 3.624 4.010 17.865 1.00 41.63 C ATOM 281 C GLY A 17 4.596 2.852 17.838 1.00 41.76 C ATOM 282 O GLY A 17 5.778 3.020 17.544 1.00 43.49 O ATOM 283 HA3 GLY A 17 4.157 4.934 18.091 1.00 0.00 H ATOM 284 HA2 GLY A 17 3.133 4.102 16.896 1.00 0.00 H ATOM 285 H GLY A 17 1.662 3.512 18.619 1.00 0.00 H ATOM 286 N ASP A 18 4.079 1.673 18.168 1.00 40.73 N ATOM 287 CA ASP A 18 4.853 0.440 18.186 1.00 38.81 C ATOM 288 C ASP A 18 5.289 0.124 16.757 1.00 38.28 C ATOM 289 O ASP A 18 4.450 0.011 15.869 1.00 36.28 O ATOM 290 CB ASP A 18 3.972 -0.686 18.740 1.00 37.46 C ATOM 291 CG ASP A 18 4.773 -1.839 19.326 1.00 37.14 C ATOM 292 OD1 ASP A 18 5.924 -2.057 18.893 1.00 37.88 O ATOM 293 OD2 ASP A 18 4.241 -2.535 20.219 1.00 36.49 O ATOM 294 HA ASP A 18 5.736 0.542 18.817 1.00 0.00 H ATOM 295 HB2 ASP A 18 3.334 -0.274 19.522 1.00 0.00 H ATOM 296 HB3 ASP A 18 3.351 -1.071 17.931 1.00 0.00 H ATOM 297 H ASP A 18 3.072 1.629 18.426 1.00 0.00 H ATOM 298 N THR A 19 6.595 -0.002 16.526 1.00 38.91 N ATOM 299 CA THR A 19 7.098 -0.230 15.169 1.00 39.17 C ATOM 300 C THR A 19 7.901 -1.523 15.019 1.00 35.91 C ATOM 301 O THR A 19 8.228 -1.932 13.900 1.00 35.10 O ATOM 302 CB THR A 19 7.981 0.931 14.704 1.00 43.77 C ATOM 303 OG1 THR A 19 8.281 0.775 13.311 1.00 45.63 O ATOM 304 CG2 THR A 19 9.272 0.939 15.495 1.00 44.57 C ATOM 305 HA THR A 19 6.204 -0.311 14.551 1.00 0.00 H ATOM 306 HB THR A 19 7.452 1.871 14.863 1.00 0.00 H ATOM 307 HG1 THR A 19 8.852 1.526 13.011 1.00 0.00 H ATOM 308 HG23 THR A 19 9.047 1.058 16.555 1.00 0.00 H ATOM 309 HG21 THR A 19 9.799 -0.002 15.337 1.00 0.00 H ATOM 310 HG22 THR A 19 9.897 1.767 15.160 1.00 0.00 H ATOM 311 H THR A 19 7.265 0.062 17.318 1.00 0.00 H ATOM 312 N ASN A 20 8.234 -2.156 16.138 1.00 34.64 N ATOM 313 CA ASN A 20 9.034 -3.374 16.086 1.00 34.88 C ATOM 314 C ASN A 20 8.178 -4.612 15.838 1.00 30.98 C ATOM 315 O ASN A 20 8.695 -5.700 15.574 1.00 29.73 O ATOM 316 CB ASN A 20 9.865 -3.532 17.359 1.00 38.80 C ATOM 317 CG ASN A 20 11.057 -2.592 17.395 1.00 43.52 C ATOM 318 OD1 ASN A 20 11.769 -2.433 16.403 1.00 44.16 O ATOM 319 ND2 ASN A 20 11.275 -1.958 18.539 1.00 46.12 N ATOM 320 HA ASN A 20 9.713 -3.278 15.239 1.00 0.00 H ATOM 321 HB2 ASN A 20 9.229 -3.324 18.220 1.00 0.00 H ATOM 322 HB3 ASN A 20 10.227 -4.559 17.415 1.00 0.00 H ATOM 323 HD22 ASN A 20 10.648 -2.122 19.352 1.00 0.00 H ATOM 324 HD21 ASN A 20 12.073 -1.296 18.623 1.00 0.00 H ATOM 325 H ASN A 20 7.922 -1.781 17.057 1.00 0.00 H ATOM 326 N ILE A 21 6.863 -4.439 15.916 1.00 22.34 N ATOM 327 CA ILE A 21 5.944 -5.542 15.658 1.00 19.71 C ATOM 328 C ILE A 21 5.932 -5.911 14.174 1.00 18.53 C ATOM 329 O ILE A 21 6.226 -5.078 13.313 1.00 18.24 O ATOM 330 CB ILE A 21 4.504 -5.212 16.118 1.00 19.47 C ATOM 331 CG1 ILE A 21 4.028 -3.889 15.518 1.00 20.36 C ATOM 332 CG2 ILE A 21 4.432 -5.118 17.636 1.00 21.63 C ATOM 333 CD1 ILE A 21 2.568 -3.602 15.793 1.00 20.53 C ATOM 334 HA ILE A 21 6.304 -6.392 16.237 1.00 0.00 H ATOM 335 HB ILE A 21 3.858 -6.018 15.771 1.00 0.00 H ATOM 336 HG12 ILE A 21 4.626 -3.081 15.940 1.00 0.00 H ATOM 337 HG13 ILE A 21 4.177 -3.924 14.439 1.00 0.00 H ATOM 338 HD11 ILE A 21 1.956 -4.397 15.367 1.00 0.00 H ATOM 339 HD12 ILE A 21 2.405 -3.554 16.870 1.00 0.00 H ATOM 340 HD13 ILE A 21 2.295 -2.649 15.340 1.00 0.00 H ATOM 341 HG21 ILE A 21 4.732 -6.071 18.072 1.00 0.00 H ATOM 342 HG22 ILE A 21 5.102 -4.331 17.982 1.00 0.00 H ATOM 343 HG23 ILE A 21 3.410 -4.885 17.936 1.00 0.00 H ATOM 344 H ILE A 21 6.483 -3.503 16.165 1.00 0.00 H ATOM 345 N LYS A 22 5.596 -7.162 13.878 1.00 15.36 N ATOM 346 CA LYS A 22 5.432 -7.608 12.496 1.00 13.23 C ATOM 347 C LYS A 22 4.040 -8.195 12.339 1.00 11.14 C ATOM 348 O LYS A 22 3.867 -9.412 12.209 1.00 11.04 O ATOM 349 CB LYS A 22 6.508 -8.634 12.136 1.00 15.10 C ATOM 350 CG LYS A 22 7.924 -8.057 12.133 1.00 19.28 C ATOM 351 CD LYS A 22 8.954 -9.109 11.762 1.00 24.48 C ATOM 352 CE LYS A 22 10.353 -8.678 12.172 1.00 30.18 C ATOM 353 NZ LYS A 22 11.339 -9.788 12.037 1.00 29.97 N ATOM 354 HA LYS A 22 5.545 -6.764 11.815 1.00 0.00 H ATOM 355 HB2 LYS A 22 6.468 -9.446 12.862 1.00 0.00 H ATOM 356 HB3 LYS A 22 6.293 -9.026 11.142 1.00 0.00 H ATOM 357 HG2 LYS A 22 7.973 -7.243 11.410 1.00 0.00 H ATOM 358 HG3 LYS A 22 8.152 -7.673 13.127 1.00 0.00 H ATOM 359 HD2 LYS A 22 8.707 -10.043 12.267 1.00 0.00 H ATOM 360 HD3 LYS A 22 8.931 -9.264 10.683 1.00 0.00 H ATOM 361 HE2 LYS A 22 10.331 -8.351 13.211 1.00 0.00 H ATOM 362 HE3 LYS A 22 10.667 -7.849 11.538 1.00 0.00 H ATOM 363 HZ1 LYS A 22 11.051 -10.582 12.644 1.00 0.00 H ATOM 364 HZ2 LYS A 22 11.372 -10.102 11.046 1.00 0.00 H ATOM 365 HZ3 LYS A 22 12.280 -9.452 12.327 1.00 0.00 H ATOM 366 H LYS A 22 5.446 -7.842 14.650 1.00 0.00 H ATOM 367 N PRO A 23 3.032 -7.326 12.363 1.00 11.60 N ATOM 368 CA PRO A 23 1.649 -7.786 12.495 1.00 10.46 C ATOM 369 C PRO A 23 1.103 -8.458 11.248 1.00 9.34 C ATOM 370 O PRO A 23 1.475 -8.134 10.111 1.00 9.64 O ATOM 371 CB PRO A 23 0.885 -6.492 12.787 1.00 11.79 C ATOM 372 CG PRO A 23 1.701 -5.421 12.098 1.00 13.18 C ATOM 373 CD PRO A 23 3.124 -5.852 12.303 1.00 13.69 C ATOM 374 HA PRO A 23 1.557 -8.552 13.265 1.00 0.00 H ATOM 375 HD3 PRO A 23 3.752 -5.534 11.471 1.00 0.00 H ATOM 376 HD2 PRO A 23 3.524 -5.448 13.233 1.00 0.00 H ATOM 377 HG3 PRO A 23 1.523 -4.447 12.553 1.00 0.00 H ATOM 378 HG2 PRO A 23 1.460 -5.375 11.036 1.00 0.00 H ATOM 379 HB2 PRO A 23 -0.123 -6.536 12.375 1.00 0.00 H ATOM 380 HB3 PRO A 23 0.830 -6.308 13.860 1.00 0.00 H ATOM 381 N ILE A 24 0.207 -9.410 11.481 1.00 8.16 N ATOM 382 CA ILE A 24 -0.475 -10.084 10.392 1.00 7.27 C ATOM 383 C ILE A 24 -1.854 -9.459 10.209 1.00 8.35 C ATOM 384 O ILE A 24 -2.677 -9.441 11.139 1.00 9.36 O ATOM 385 CB ILE A 24 -0.556 -11.606 10.638 1.00 7.68 C ATOM 386 CG1 ILE A 24 0.855 -12.188 10.710 1.00 9.74 C ATOM 387 CG2 ILE A 24 -1.350 -12.280 9.531 1.00 10.29 C ATOM 388 CD1 ILE A 24 0.909 -13.670 11.102 1.00 10.26 C ATOM 389 HA ILE A 24 0.093 -9.954 9.471 1.00 0.00 H ATOM 390 HB ILE A 24 -1.066 -11.788 11.584 1.00 0.00 H ATOM 391 HG12 ILE A 24 1.321 -12.077 9.731 1.00 0.00 H ATOM 392 HG13 ILE A 24 1.422 -11.619 11.447 1.00 0.00 H ATOM 393 HD11 ILE A 24 0.459 -13.801 12.086 1.00 0.00 H ATOM 394 HD12 ILE A 24 0.358 -14.259 10.369 1.00 0.00 H ATOM 395 HD13 ILE A 24 1.948 -14.000 11.129 1.00 0.00 H ATOM 396 HG21 ILE A 24 -2.359 -11.869 9.508 1.00 0.00 H ATOM 397 HG22 ILE A 24 -0.861 -12.100 8.574 1.00 0.00 H ATOM 398 HG23 ILE A 24 -1.397 -13.352 9.721 1.00 0.00 H ATOM 399 H ILE A 24 -0.010 -9.677 12.462 1.00 0.00 H ATOM 400 N LEU A 25 -2.085 -8.914 9.013 1.00 8.52 N ATOM 401 CA LEU A 25 -3.297 -8.142 8.726 1.00 7.64 C ATOM 402 C LEU A 25 -3.992 -8.671 7.488 1.00 7.99 C ATOM 403 O LEU A 25 -3.372 -9.325 6.649 1.00 10.97 O ATOM 404 CB LEU A 25 -2.944 -6.661 8.495 1.00 8.63 C ATOM 405 CG LEU A 25 -2.174 -5.967 9.608 1.00 8.64 C ATOM 406 CD1 LEU A 25 -1.737 -4.572 9.153 1.00 10.71 C ATOM 407 CD2 LEU A 25 -3.039 -5.880 10.852 1.00 9.42 C ATOM 408 HA LEU A 25 -3.962 -8.237 9.584 1.00 0.00 H ATOM 409 HB2 LEU A 25 -2.342 -6.601 7.588 1.00 0.00 H ATOM 410 HB3 LEU A 25 -3.877 -6.117 8.348 1.00 0.00 H ATOM 411 HG LEU A 25 -1.281 -6.545 9.844 1.00 0.00 H ATOM 412 HD21 LEU A 25 -3.941 -5.311 10.627 1.00 0.00 H ATOM 413 HD22 LEU A 25 -3.313 -6.885 11.174 1.00 0.00 H ATOM 414 HD23 LEU A 25 -2.482 -5.382 11.646 1.00 0.00 H ATOM 415 HD11 LEU A 25 -1.097 -4.661 8.275 1.00 0.00 H ATOM 416 HD12 LEU A 25 -2.618 -3.980 8.903 1.00 0.00 H ATOM 417 HD13 LEU A 25 -1.187 -4.085 9.958 1.00 0.00 H ATOM 418 H LEU A 25 -1.381 -9.042 8.259 1.00 0.00 H ATOM 419 N GLN A 26 -5.285 -8.383 7.366 1.00 6.19 N ATOM 420 CA GLN A 26 -6.000 -8.713 6.142 1.00 6.67 C ATOM 421 C GLN A 26 -6.251 -7.457 5.309 1.00 7.58 C ATOM 422 O GLN A 26 -6.654 -6.417 5.832 1.00 7.87 O ATOM 423 CB GLN A 26 -7.335 -9.409 6.438 1.00 6.57 C ATOM 424 CG GLN A 26 -8.019 -9.917 5.174 1.00 8.23 C ATOM 425 CD GLN A 26 -9.332 -10.617 5.449 1.00 8.94 C ATOM 426 OE1 GLN A 26 -10.044 -10.296 6.411 1.00 9.29 O ATOM 427 NE2 GLN A 26 -9.669 -11.587 4.598 1.00 10.87 N ATOM 428 HA GLN A 26 -5.372 -9.401 5.577 1.00 0.00 H ATOM 429 HB2 GLN A 26 -7.150 -10.255 7.100 1.00 0.00 H ATOM 430 HB3 GLN A 26 -7.998 -8.699 6.934 1.00 0.00 H ATOM 431 HG2 GLN A 26 -8.209 -9.068 4.517 1.00 0.00 H ATOM 432 HG3 GLN A 26 -7.350 -10.618 4.675 1.00 0.00 H ATOM 433 HE22 GLN A 26 -9.041 -11.823 3.804 1.00 0.00 H ATOM 434 HE21 GLN A 26 -10.560 -12.107 4.729 1.00 0.00 H ATOM 435 H GLN A 26 -5.788 -7.919 8.150 1.00 0.00 H ATOM 436 N VAL A 27 -6.010 -7.566 4.009 1.00 7.21 N ATOM 437 CA VAL A 27 -6.378 -6.504 3.077 1.00 6.88 C ATOM 438 C VAL A 27 -7.883 -6.586 2.827 1.00 8.59 C ATOM 439 O VAL A 27 -8.402 -7.632 2.422 1.00 10.70 O ATOM 440 CB VAL A 27 -5.645 -6.671 1.759 1.00 8.45 C ATOM 441 CG1 VAL A 27 -6.131 -5.627 0.756 1.00 11.67 C ATOM 442 CG2 VAL A 27 -4.141 -6.556 1.979 1.00 10.27 C ATOM 443 HA VAL A 27 -6.107 -5.538 3.504 1.00 0.00 H ATOM 444 HB VAL A 27 -5.856 -7.661 1.353 1.00 0.00 H ATOM 445 HG11 VAL A 27 -7.201 -5.754 0.591 1.00 0.00 H ATOM 446 HG12 VAL A 27 -5.939 -4.629 1.150 1.00 0.00 H ATOM 447 HG13 VAL A 27 -5.599 -5.755 -0.187 1.00 0.00 H ATOM 448 HG21 VAL A 27 -3.910 -5.576 2.396 1.00 0.00 H ATOM 449 HG22 VAL A 27 -3.816 -7.333 2.671 1.00 0.00 H ATOM 450 HG23 VAL A 27 -3.625 -6.677 1.026 1.00 0.00 H ATOM 451 H VAL A 27 -5.550 -8.425 3.646 1.00 0.00 H ATOM 452 N ILE A 28 -8.594 -5.499 3.125 1.00 7.85 N ATOM 453 CA ILE A 28 -10.025 -5.428 2.835 1.00 10.22 C ATOM 454 C ILE A 28 -10.299 -4.797 1.461 1.00 13.93 C ATOM 455 O ILE A 28 -11.151 -5.267 0.701 1.00 14.74 O ATOM 456 CB ILE A 28 -10.810 -4.674 3.929 1.00 11.54 C ATOM 457 CG1 ILE A 28 -10.556 -5.292 5.306 1.00 12.98 C ATOM 458 CG2 ILE A 28 -12.299 -4.671 3.597 1.00 12.82 C ATOM 459 CD1 ILE A 28 -10.871 -6.795 5.377 1.00 13.71 C ATOM 460 HA ILE A 28 -10.379 -6.459 2.819 1.00 0.00 H ATOM 461 HB ILE A 28 -10.461 -3.642 3.960 1.00 0.00 H ATOM 462 HG12 ILE A 28 -9.506 -5.148 5.560 1.00 0.00 H ATOM 463 HG13 ILE A 28 -11.179 -4.775 6.036 1.00 0.00 H ATOM 464 HD11 ILE A 28 -11.922 -6.956 5.137 1.00 0.00 H ATOM 465 HD12 ILE A 28 -10.247 -7.330 4.661 1.00 0.00 H ATOM 466 HD13 ILE A 28 -10.666 -7.161 6.383 1.00 0.00 H ATOM 467 HG21 ILE A 28 -12.455 -4.177 2.638 1.00 0.00 H ATOM 468 HG22 ILE A 28 -12.659 -5.698 3.540 1.00 0.00 H ATOM 469 HG23 ILE A 28 -12.843 -4.136 4.376 1.00 0.00 H ATOM 470 H ILE A 28 -8.122 -4.687 3.572 1.00 0.00 H ATOM 471 N ASN A 29 -9.577 -3.728 1.142 1.00 10.18 N ATOM 472 CA ASN A 29 -9.741 -3.043 -0.132 1.00 12.48 C ATOM 473 C ASN A 29 -8.435 -2.374 -0.523 1.00 10.51 C ATOM 474 O ASN A 29 -7.641 -1.997 0.345 1.00 11.89 O ATOM 475 CB ASN A 29 -10.859 -1.991 -0.051 1.00 13.86 C ATOM 476 CG ASN A 29 -11.253 -1.456 -1.411 1.00 20.99 C ATOM 477 OD1 ASN A 29 -11.311 -2.206 -2.384 1.00 21.20 O ATOM 478 ND2 ASN A 29 -11.515 -0.157 -1.490 1.00 24.05 N ATOM 479 HA ASN A 29 -10.017 -3.780 -0.887 1.00 0.00 H ATOM 480 HB2 ASN A 29 -11.734 -2.446 0.413 1.00 0.00 H ATOM 481 HB3 ASN A 29 -10.514 -1.161 0.565 1.00 0.00 H ATOM 482 HD22 ASN A 29 -11.453 0.439 -0.640 1.00 0.00 H ATOM 483 HD21 ASN A 29 -11.782 0.265 -2.402 1.00 0.00 H ATOM 484 H ASN A 29 -8.875 -3.371 1.821 1.00 0.00 H ATOM 485 N ILE A 30 -8.208 -2.248 -1.827 1.00 11.70 N ATOM 486 CA ILE A 30 -7.060 -1.518 -2.349 1.00 13.06 C ATOM 487 C ILE A 30 -7.556 -0.598 -3.439 1.00 14.22 C ATOM 488 O ILE A 30 -8.360 -0.993 -4.294 1.00 17.51 O ATOM 489 CB ILE A 30 -6.000 -2.447 -2.985 1.00 18.07 C ATOM 490 CG1 ILE A 30 -5.555 -3.529 -2.008 1.00 16.42 C ATOM 491 CG2 ILE A 30 -4.792 -1.634 -3.467 1.00 20.68 C ATOM 492 CD1 ILE A 30 -4.585 -4.545 -2.614 1.00 18.44 C ATOM 493 HA ILE A 30 -6.597 -0.989 -1.516 1.00 0.00 H ATOM 494 HB ILE A 30 -6.459 -2.937 -3.844 1.00 0.00 H ATOM 495 HG12 ILE A 30 -5.065 -3.048 -1.161 1.00 0.00 H ATOM 496 HG13 ILE A 30 -6.439 -4.063 -1.659 1.00 0.00 H ATOM 497 HD11 ILE A 30 -5.064 -5.045 -3.456 1.00 0.00 H ATOM 498 HD12 ILE A 30 -3.688 -4.029 -2.958 1.00 0.00 H ATOM 499 HD13 ILE A 30 -4.314 -5.282 -1.858 1.00 0.00 H ATOM 500 HG21 ILE A 30 -5.118 -0.907 -4.211 1.00 0.00 H ATOM 501 HG22 ILE A 30 -4.345 -1.113 -2.620 1.00 0.00 H ATOM 502 HG23 ILE A 30 -4.058 -2.306 -3.911 1.00 0.00 H ATOM 503 H ILE A 30 -8.872 -2.685 -2.497 1.00 0.00 H ATOM 504 N ARG A 31 -7.094 0.639 -3.427 1.00 13.80 N ATOM 505 CA ARG A 31 -7.426 1.488 -4.554 1.00 19.72 C ATOM 506 C ARG A 31 -6.295 2.438 -4.881 1.00 18.31 C ATOM 507 O ARG A 31 -5.513 2.812 -4.002 1.00 16.42 O ATOM 508 CB ARG A 31 -8.727 2.242 -4.297 1.00 26.15 C ATOM 509 CG ARG A 31 -8.631 3.250 -3.196 1.00 29.78 C ATOM 510 CD ARG A 31 -9.942 3.990 -3.053 1.00 34.63 C ATOM 511 NE ARG A 31 -9.829 5.081 -2.096 1.00 37.88 N ATOM 512 CZ ARG A 31 -9.417 6.302 -2.415 1.00 41.65 C ATOM 513 NH1 ARG A 31 -9.080 6.580 -3.668 1.00 43.97 N ATOM 514 NH2 ARG A 31 -9.338 7.239 -1.482 1.00 43.76 N ATOM 515 HA ARG A 31 -7.574 0.848 -5.424 1.00 0.00 H ATOM 516 HB2 ARG A 31 -9.012 2.759 -5.213 1.00 0.00 H ATOM 517 HB3 ARG A 31 -9.498 1.518 -4.035 1.00 0.00 H ATOM 518 HG2 ARG A 31 -8.400 2.741 -2.260 1.00 0.00 H ATOM 519 HG3 ARG A 31 -7.838 3.962 -3.427 1.00 0.00 H ATOM 520 HD2 ARG A 31 -10.708 3.294 -2.711 1.00 0.00 H ATOM 521 HD3 ARG A 31 -10.229 4.396 -4.023 1.00 0.00 H ATOM 522 HE ARG A 31 -10.086 4.893 -1.106 1.00 0.00 H ATOM 523 HH12 ARG A 31 -8.757 7.536 -3.920 1.00 0.00 H ATOM 524 HH11 ARG A 31 -9.139 5.842 -4.398 1.00 0.00 H ATOM 525 HH22 ARG A 31 -9.015 8.196 -1.732 1.00 0.00 H ATOM 526 HH21 ARG A 31 -9.599 7.018 -0.500 1.00 0.00 H ATOM 527 H ARG A 31 -6.514 0.991 -2.639 1.00 0.00 H ATOM 528 N PRO A 32 -6.196 2.821 -6.158 1.00 17.06 N ATOM 529 CA PRO A 32 -5.172 3.790 -6.542 1.00 17.59 C ATOM 530 C PRO A 32 -5.546 5.193 -6.120 1.00 23.23 C ATOM 531 O PRO A 32 -6.727 5.553 -6.080 1.00 26.39 O ATOM 532 CB PRO A 32 -5.160 3.719 -8.077 1.00 21.39 C ATOM 533 CG PRO A 32 -6.203 2.707 -8.472 1.00 22.33 C ATOM 534 CD PRO A 32 -7.070 2.463 -7.291 1.00 19.58 C ATOM 535 HA PRO A 32 -4.212 3.567 -6.076 1.00 0.00 H ATOM 536 HD3 PRO A 32 -7.957 3.097 -7.318 1.00 0.00 H ATOM 537 HD2 PRO A 32 -7.374 1.418 -7.237 1.00 0.00 H ATOM 538 HG3 PRO A 32 -5.722 1.778 -8.777 1.00 0.00 H ATOM 539 HG2 PRO A 32 -6.801 3.093 -9.298 1.00 0.00 H ATOM 540 HB2 PRO A 32 -5.403 4.694 -8.500 1.00 0.00 H ATOM 541 HB3 PRO A 32 -4.178 3.405 -8.431 1.00 0.00 H ATOM 542 N ILE A 33 -4.524 5.973 -5.804 1.00 20.32 N ATOM 543 CA ILE A 33 -4.699 7.365 -5.432 1.00 24.60 C ATOM 544 C ILE A 33 -4.570 8.227 -6.673 1.00 26.89 C ATOM 545 O ILE A 33 -3.825 7.879 -7.586 1.00 30.05 O ATOM 546 CB ILE A 33 -3.635 7.753 -4.375 1.00 27.86 C ATOM 547 CG1 ILE A 33 -4.144 7.399 -2.987 1.00 30.18 C ATOM 548 CG2 ILE A 33 -3.263 9.233 -4.438 1.00 33.72 C ATOM 549 CD1 ILE A 33 -3.215 7.815 -1.911 1.00 31.38 C ATOM 550 HA ILE A 33 -5.687 7.520 -4.998 1.00 0.00 H ATOM 551 HB ILE A 33 -2.729 7.188 -4.596 1.00 0.00 H ATOM 552 HG12 ILE A 33 -5.102 7.894 -2.831 1.00 0.00 H ATOM 553 HG13 ILE A 33 -4.281 6.319 -2.931 1.00 0.00 H ATOM 554 HD11 ILE A 33 -2.254 7.319 -2.050 1.00 0.00 H ATOM 555 HD12 ILE A 33 -3.077 8.895 -1.950 1.00 0.00 H ATOM 556 HD13 ILE A 33 -3.633 7.535 -0.944 1.00 0.00 H ATOM 557 HG21 ILE A 33 -2.858 9.463 -5.424 1.00 0.00 H ATOM 558 HG22 ILE A 33 -4.152 9.838 -4.259 1.00 0.00 H ATOM 559 HG23 ILE A 33 -2.514 9.451 -3.676 1.00 0.00 H ATOM 560 H ILE A 33 -3.563 5.575 -5.823 1.00 0.00 H ATOM 561 N THR A 34 -5.325 9.323 -6.731 1.00 39.65 N ATOM 562 CA THR A 34 -5.106 10.344 -7.753 1.00 46.04 C ATOM 563 C THR A 34 -3.708 10.931 -7.560 1.00 48.08 C ATOM 564 O THR A 34 -3.463 11.631 -6.574 1.00 48.62 O ATOM 565 CB THR A 34 -6.143 11.478 -7.645 1.00 48.61 C ATOM 566 OG1 THR A 34 -7.461 10.943 -7.827 1.00 47.53 O ATOM 567 CG2 THR A 34 -5.880 12.550 -8.697 1.00 60.97 C ATOM 568 HA THR A 34 -5.206 9.882 -8.735 1.00 0.00 H ATOM 569 HB THR A 34 -6.061 11.931 -6.657 1.00 0.00 H ATOM 570 HG1 THR A 34 -8.125 11.674 -7.757 1.00 0.00 H ATOM 571 HG23 THR A 34 -4.878 12.956 -8.558 1.00 0.00 H ATOM 572 HG21 THR A 34 -5.960 12.109 -9.691 1.00 0.00 H ATOM 573 HG22 THR A 34 -6.615 13.348 -8.592 1.00 0.00 H ATOM 574 H THR A 34 -6.086 9.455 -6.034 1.00 0.00 H ATOM 575 N THR A 35 -2.796 10.652 -8.491 1.00 45.62 N ATOM 576 CA THR A 35 -1.395 11.040 -8.314 1.00 52.56 C ATOM 577 C THR A 35 -0.916 12.174 -9.227 1.00 59.85 C ATOM 578 O THR A 35 -0.200 13.068 -8.780 1.00 64.03 O ATOM 579 CB THR A 35 -0.436 9.818 -8.432 1.00 59.15 C ATOM 580 OG1 THR A 35 0.924 10.254 -8.325 1.00 61.79 O ATOM 581 CG2 THR A 35 -0.632 9.086 -9.754 1.00 58.51 C ATOM 582 HA THR A 35 -1.358 11.436 -7.299 1.00 0.00 H ATOM 583 HB THR A 35 -0.669 9.129 -7.620 1.00 0.00 H ATOM 584 HG1 THR A 35 1.122 10.896 -9.052 1.00 0.00 H ATOM 585 HG23 THR A 35 -1.667 8.755 -9.834 1.00 0.00 H ATOM 586 HG21 THR A 35 -0.400 9.760 -10.579 1.00 0.00 H ATOM 587 HG22 THR A 35 0.031 8.222 -9.791 1.00 0.00 H ATOM 588 H THR A 35 -3.084 10.151 -9.356 1.00 0.00 H ATOM 589 N GLY A 36 -1.313 12.140 -10.496 1.00 62.47 N ATOM 590 CA GLY A 36 -0.818 13.097 -11.471 1.00 70.65 C ATOM 591 C GLY A 36 0.039 12.414 -12.523 1.00 72.03 C ATOM 592 O GLY A 36 -0.436 11.529 -13.236 1.00 70.60 O ATOM 593 HA3 GLY A 36 -0.220 13.850 -10.959 1.00 0.00 H ATOM 594 HA2 GLY A 36 -1.665 13.578 -11.959 1.00 0.00 H ATOM 595 H GLY A 36 -1.993 11.413 -10.797 1.00 0.00 H ATOM 596 N ASN A 37 1.300 12.826 -12.626 1.00 75.30 N ATOM 597 CA ASN A 37 2.257 12.152 -13.503 1.00 75.52 C ATOM 598 C ASN A 37 3.403 11.527 -12.716 1.00 71.64 C ATOM 599 O ASN A 37 4.576 11.749 -13.015 1.00 74.91 O ATOM 600 CB ASN A 37 2.801 13.105 -14.569 1.00 83.99 C ATOM 601 CG ASN A 37 1.829 13.316 -15.715 1.00 87.56 C ATOM 602 OD1 ASN A 37 1.126 12.395 -16.130 1.00 83.84 O ATOM 603 ND2 ASN A 37 1.787 14.537 -16.233 1.00 95.22 N ATOM 604 HA ASN A 37 1.716 11.348 -14.003 1.00 0.00 H ATOM 605 HB2 ASN A 37 3.007 14.069 -14.104 1.00 0.00 H ATOM 606 HB3 ASN A 37 3.727 12.691 -14.968 1.00 0.00 H ATOM 607 HD22 ASN A 37 2.399 15.285 -15.851 1.00 0.00 H ATOM 608 HD21 ASN A 37 1.142 14.745 -17.021 1.00 0.00 H ATOM 609 H ASN A 37 1.613 13.647 -12.069 1.00 0.00 H ATOM 610 N SER A 38 3.040 10.750 -11.701 1.00 65.14 N ATOM 611 CA SER A 38 3.988 10.027 -10.869 1.00 59.15 C ATOM 612 C SER A 38 3.559 8.572 -10.948 1.00 50.00 C ATOM 613 O SER A 38 2.460 8.289 -11.428 1.00 47.75 O ATOM 614 CB SER A 38 3.890 10.528 -9.429 1.00 58.28 C ATOM 615 OG SER A 38 3.812 11.942 -9.389 1.00 64.95 O ATOM 616 HA SER A 38 5.018 10.164 -11.197 1.00 0.00 H ATOM 617 HB2 SER A 38 4.772 10.203 -8.877 1.00 0.00 H ATOM 618 HB3 SER A 38 2.998 10.108 -8.965 1.00 0.00 H ATOM 619 HG SER A 38 3.749 12.241 -8.447 1.00 0.00 H ATOM 620 H SER A 38 2.026 10.654 -11.491 1.00 0.00 H ATOM 621 N PRO A 39 4.415 7.638 -10.498 1.00 45.09 N ATOM 622 CA PRO A 39 3.903 6.264 -10.446 1.00 38.87 C ATOM 623 C PRO A 39 2.686 6.205 -9.534 1.00 35.16 C ATOM 624 O PRO A 39 2.568 7.037 -8.627 1.00 32.25 O ATOM 625 CB PRO A 39 5.072 5.466 -9.847 1.00 37.52 C ATOM 626 CG PRO A 39 5.988 6.489 -9.236 1.00 39.90 C ATOM 627 CD PRO A 39 5.821 7.723 -10.069 1.00 46.04 C ATOM 628 HA PRO A 39 3.588 5.879 -11.416 1.00 0.00 H ATOM 629 HD3 PRO A 39 5.998 8.622 -9.479 1.00 0.00 H ATOM 630 HD2 PRO A 39 6.495 7.713 -10.926 1.00 0.00 H ATOM 631 HG3 PRO A 39 7.021 6.144 -9.269 1.00 0.00 H ATOM 632 HG2 PRO A 39 5.705 6.686 -8.202 1.00 0.00 H ATOM 633 HB2 PRO A 39 4.711 4.775 -9.085 1.00 0.00 H ATOM 634 HB3 PRO A 39 5.591 4.907 -10.626 1.00 0.00 H ATOM 635 N PRO A 40 1.775 5.254 -9.784 1.00 30.64 N ATOM 636 CA PRO A 40 0.577 5.185 -8.947 1.00 28.63 C ATOM 637 C PRO A 40 0.947 4.946 -7.494 1.00 24.02 C ATOM 638 O PRO A 40 2.021 4.407 -7.213 1.00 19.33 O ATOM 639 CB PRO A 40 -0.176 3.971 -9.504 1.00 27.83 C ATOM 640 CG PRO A 40 0.855 3.162 -10.225 1.00 29.39 C ATOM 641 CD PRO A 40 1.826 4.169 -10.780 1.00 31.98 C ATOM 642 HA PRO A 40 -0.006 6.106 -8.969 1.00 0.00 H ATOM 643 HD3 PRO A 40 2.829 3.749 -10.853 1.00 0.00 H ATOM 644 HD2 PRO A 40 1.509 4.521 -11.762 1.00 0.00 H ATOM 645 HG3 PRO A 40 0.397 2.588 -11.030 1.00 0.00 H ATOM 646 HG2 PRO A 40 1.359 2.483 -9.537 1.00 0.00 H ATOM 647 HB2 PRO A 40 -0.618 3.391 -8.694 1.00 0.00 H ATOM 648 HB3 PRO A 40 -0.960 4.290 -10.191 1.00 0.00 H ATOM 649 N ARG A 41 0.090 5.405 -6.591 1.00 19.44 N ATOM 650 CA ARG A 41 0.174 5.049 -5.185 1.00 19.53 C ATOM 651 C ARG A 41 -1.059 4.238 -4.855 1.00 17.91 C ATOM 652 O ARG A 41 -2.154 4.528 -5.356 1.00 22.55 O ATOM 653 CB ARG A 41 0.170 6.297 -4.311 1.00 26.01 C ATOM 654 CG ARG A 41 1.521 6.929 -4.095 1.00 33.61 C ATOM 655 CD ARG A 41 2.204 6.396 -2.837 1.00 34.43 C ATOM 656 NE ARG A 41 3.487 7.064 -2.632 1.00 35.46 N ATOM 657 CZ ARG A 41 4.535 6.521 -2.023 1.00 35.20 C ATOM 658 NH1 ARG A 41 4.466 5.291 -1.539 1.00 31.48 N ATOM 659 NH2 ARG A 41 5.655 7.219 -1.897 1.00 38.44 N ATOM 660 HA ARG A 41 1.094 4.494 -5.000 1.00 0.00 H ATOM 661 HB2 ARG A 41 -0.478 7.037 -4.781 1.00 0.00 H ATOM 662 HB3 ARG A 41 -0.236 6.026 -3.337 1.00 0.00 H ATOM 663 HG2 ARG A 41 2.153 6.715 -4.957 1.00 0.00 H ATOM 664 HG3 ARG A 41 1.395 8.007 -3.998 1.00 0.00 H ATOM 665 HD2 ARG A 41 2.370 5.324 -2.945 1.00 0.00 H ATOM 666 HD3 ARG A 41 1.562 6.578 -1.975 1.00 0.00 H ATOM 667 HE ARG A 41 3.587 8.036 -2.989 1.00 0.00 H ATOM 668 HH12 ARG A 41 5.291 4.872 -1.063 1.00 0.00 H ATOM 669 HH11 ARG A 41 3.587 4.743 -1.634 1.00 0.00 H ATOM 670 HH22 ARG A 41 6.479 6.799 -1.421 1.00 0.00 H ATOM 671 HH21 ARG A 41 5.710 8.187 -2.274 1.00 0.00 H ATOM 672 H ARG A 41 -0.670 6.043 -6.901 1.00 0.00 H ATOM 673 N TYR A 42 -0.896 3.223 -4.017 1.00 13.36 N ATOM 674 CA TYR A 42 -2.044 2.452 -3.587 1.00 11.97 C ATOM 675 C TYR A 42 -2.339 2.687 -2.124 1.00 12.03 C ATOM 676 O TYR A 42 -1.433 2.662 -1.281 1.00 14.03 O ATOM 677 CB TYR A 42 -1.829 0.963 -3.860 1.00 10.78 C ATOM 678 CG TYR A 42 -1.684 0.696 -5.335 1.00 11.13 C ATOM 679 CD1 TYR A 42 -2.792 0.688 -6.166 1.00 15.80 C ATOM 680 CD2 TYR A 42 -0.433 0.492 -5.903 1.00 14.41 C ATOM 681 CE1 TYR A 42 -2.665 0.478 -7.530 1.00 15.60 C ATOM 682 CE2 TYR A 42 -0.293 0.276 -7.268 1.00 15.69 C ATOM 683 CZ TYR A 42 -1.411 0.257 -8.069 1.00 15.06 C ATOM 684 OH TYR A 42 -1.266 0.038 -9.421 1.00 16.39 O ATOM 685 HA TYR A 42 -2.907 2.786 -4.163 1.00 0.00 H ATOM 686 HB3 TYR A 42 -2.684 0.404 -3.479 1.00 0.00 H ATOM 687 HB2 TYR A 42 -0.925 0.634 -3.348 1.00 0.00 H ATOM 688 HD2 TYR A 42 0.453 0.502 -5.268 1.00 0.00 H ATOM 689 HE2 TYR A 42 0.695 0.123 -7.701 1.00 0.00 H ATOM 690 HE1 TYR A 42 -3.546 0.487 -8.172 1.00 0.00 H ATOM 691 HD1 TYR A 42 -3.782 0.850 -5.739 1.00 0.00 H ATOM 692 HH TYR A 42 -0.696 0.748 -9.810 1.00 0.00 H ATOM 693 H TYR A 42 0.054 2.981 -3.670 1.00 0.00 H ATOM 694 N ARG A 43 -3.613 2.941 -1.848 1.00 11.12 N ATOM 695 CA ARG A 43 -4.099 3.089 -0.483 1.00 10.85 C ATOM 696 C ARG A 43 -4.832 1.815 -0.097 1.00 12.27 C ATOM 697 O ARG A 43 -5.561 1.237 -0.909 1.00 13.35 O ATOM 698 CB ARG A 43 -5.028 4.297 -0.394 1.00 12.83 C ATOM 699 CG ARG A 43 -5.538 4.595 1.007 1.00 15.35 C ATOM 700 CD ARG A 43 -6.364 5.871 1.018 1.00 16.97 C ATOM 701 NE ARG A 43 -6.971 6.096 2.328 1.00 18.49 N ATOM 702 CZ ARG A 43 -7.719 7.146 2.638 1.00 21.28 C ATOM 703 NH1 ARG A 43 -7.967 8.079 1.730 1.00 26.55 N ATOM 704 NH2 ARG A 43 -8.224 7.258 3.859 1.00 20.80 N ATOM 705 HA ARG A 43 -3.268 3.252 0.203 1.00 0.00 H ATOM 706 HB2 ARG A 43 -4.486 5.172 -0.753 1.00 0.00 H ATOM 707 HB3 ARG A 43 -5.888 4.114 -1.039 1.00 0.00 H ATOM 708 HG2 ARG A 43 -6.157 3.765 1.347 1.00 0.00 H ATOM 709 HG3 ARG A 43 -4.689 4.712 1.680 1.00 0.00 H ATOM 710 HD2 ARG A 43 -7.152 5.791 0.269 1.00 0.00 H ATOM 711 HD3 ARG A 43 -5.718 6.715 0.775 1.00 0.00 H ATOM 712 HE ARG A 43 -6.805 5.384 3.068 1.00 0.00 H ATOM 713 HH12 ARG A 43 -8.554 8.901 1.976 1.00 0.00 H ATOM 714 HH11 ARG A 43 -7.575 7.989 0.771 1.00 0.00 H ATOM 715 HH22 ARG A 43 -8.811 8.080 4.105 1.00 0.00 H ATOM 716 HH21 ARG A 43 -8.033 6.524 4.570 1.00 0.00 H ATOM 717 H ARG A 43 -4.287 3.038 -2.634 1.00 0.00 H ATOM 718 N LEU A 44 -4.617 1.349 1.131 1.00 9.43 N ATOM 719 CA LEU A 44 -5.215 0.090 1.568 1.00 9.60 C ATOM 720 C LEU A 44 -6.080 0.259 2.802 1.00 11.54 C ATOM 721 O LEU A 44 -5.710 0.973 3.744 1.00 12.89 O ATOM 722 CB LEU A 44 -4.147 -0.971 1.845 1.00 10.26 C ATOM 723 CG LEU A 44 -3.316 -1.471 0.666 1.00 13.91 C ATOM 724 CD1 LEU A 44 -2.176 -0.521 0.327 1.00 13.67 C ATOM 725 CD2 LEU A 44 -2.775 -2.864 0.941 1.00 12.71 C ATOM 726 HA LEU A 44 -5.849 -0.241 0.746 1.00 0.00 H ATOM 727 HB2 LEU A 44 -3.455 -0.553 2.576 1.00 0.00 H ATOM 728 HB3 LEU A 44 -4.652 -1.835 2.277 1.00 0.00 H ATOM 729 HG LEU A 44 -3.979 -1.512 -0.198 1.00 0.00 H ATOM 730 HD21 LEU A 44 -2.145 -2.839 1.830 1.00 0.00 H ATOM 731 HD22 LEU A 44 -3.607 -3.550 1.102 1.00 0.00 H ATOM 732 HD23 LEU A 44 -2.186 -3.199 0.087 1.00 0.00 H ATOM 733 HD11 LEU A 44 -2.584 0.456 0.066 1.00 0.00 H ATOM 734 HD12 LEU A 44 -1.518 -0.423 1.190 1.00 0.00 H ATOM 735 HD13 LEU A 44 -1.613 -0.918 -0.518 1.00 0.00 H ATOM 736 H LEU A 44 -4.016 1.888 1.787 1.00 0.00 H ATOM 737 N LEU A 45 -7.241 -0.393 2.771 1.00 8.43 N ATOM 738 CA LEU A 45 -8.072 -0.570 3.957 1.00 6.87 C ATOM 739 C LEU A 45 -7.685 -1.925 4.519 1.00 7.56 C ATOM 740 O LEU A 45 -7.853 -2.944 3.853 1.00 9.48 O ATOM 741 CB LEU A 45 -9.556 -0.559 3.564 1.00 9.78 C ATOM 742 CG LEU A 45 -10.556 -0.825 4.696 1.00 11.82 C ATOM 743 CD1 LEU A 45 -10.496 0.274 5.762 1.00 13.29 C ATOM 744 CD2 LEU A 45 -11.976 -0.971 4.139 1.00 13.71 C ATOM 745 HA LEU A 45 -7.924 0.227 4.685 1.00 0.00 H ATOM 746 HB2 LEU A 45 -9.782 0.421 3.143 1.00 0.00 H ATOM 747 HB3 LEU A 45 -9.705 -1.324 2.802 1.00 0.00 H ATOM 748 HG LEU A 45 -10.278 -1.764 5.175 1.00 0.00 H ATOM 749 HD21 LEU A 45 -12.260 -0.052 3.625 1.00 0.00 H ATOM 750 HD22 LEU A 45 -12.006 -1.805 3.438 1.00 0.00 H ATOM 751 HD23 LEU A 45 -12.669 -1.159 4.959 1.00 0.00 H ATOM 752 HD11 LEU A 45 -9.493 0.312 6.187 1.00 0.00 H ATOM 753 HD12 LEU A 45 -10.735 1.234 5.306 1.00 0.00 H ATOM 754 HD13 LEU A 45 -11.217 0.054 6.549 1.00 0.00 H ATOM 755 H LEU A 45 -7.567 -0.791 1.867 1.00 0.00 H ATOM 756 N MET A 46 -7.119 -1.930 5.722 1.00 8.19 N ATOM 757 CA MET A 46 -6.585 -3.140 6.356 1.00 8.30 C ATOM 758 C MET A 46 -7.351 -3.469 7.622 1.00 9.09 C ATOM 759 O MET A 46 -7.918 -2.587 8.259 1.00 10.35 O ATOM 760 CB MET A 46 -5.124 -2.934 6.763 1.00 11.16 C ATOM 761 CG MET A 46 -4.219 -2.476 5.646 1.00 13.49 C ATOM 762 SD MET A 46 -3.967 -3.724 4.386 1.00 10.72 S ATOM 763 CE MET A 46 -3.025 -4.959 5.281 1.00 16.07 C ATOM 764 HA MET A 46 -6.678 -3.947 5.629 1.00 0.00 H ATOM 765 HB2 MET A 46 -5.094 -2.185 7.554 1.00 0.00 H ATOM 766 HB3 MET A 46 -4.741 -3.880 7.145 1.00 0.00 H ATOM 767 HG2 MET A 46 -3.251 -2.211 6.071 1.00 0.00 H ATOM 768 HG3 MET A 46 -4.662 -1.596 5.179 1.00 0.00 H ATOM 769 HE1 MET A 46 -2.096 -4.516 5.639 1.00 0.00 H ATOM 770 HE2 MET A 46 -3.610 -5.316 6.129 1.00 0.00 H ATOM 771 HE3 MET A 46 -2.799 -5.793 4.617 1.00 0.00 H ATOM 772 H MET A 46 -7.051 -1.031 6.240 1.00 0.00 H ATOM 773 N SER A 47 -7.331 -4.739 7.996 1.00 6.69 N ATOM 774 CA SER A 47 -8.011 -5.209 9.190 1.00 7.64 C ATOM 775 C SER A 47 -7.078 -6.038 10.050 1.00 9.46 C ATOM 776 O SER A 47 -6.287 -6.834 9.531 1.00 9.91 O ATOM 777 CB SER A 47 -9.201 -6.085 8.789 1.00 7.35 C ATOM 778 OG SER A 47 -9.696 -6.805 9.916 1.00 9.69 O ATOM 779 HA SER A 47 -8.346 -4.339 9.755 1.00 0.00 H ATOM 780 HB2 SER A 47 -8.884 -6.792 8.023 1.00 0.00 H ATOM 781 HB3 SER A 47 -9.994 -5.452 8.391 1.00 0.00 H ATOM 782 HG SER A 47 -10.464 -7.365 9.637 1.00 0.00 H ATOM 783 H SER A 47 -6.809 -5.425 7.414 1.00 0.00 H ATOM 784 N ASP A 48 -7.176 -5.868 11.364 1.00 8.65 N ATOM 785 CA ASP A 48 -6.472 -6.768 12.284 1.00 10.03 C ATOM 786 C ASP A 48 -7.430 -7.731 12.979 1.00 12.49 C ATOM 787 O ASP A 48 -7.060 -8.387 13.958 1.00 14.04 O ATOM 788 CB ASP A 48 -5.622 -5.997 13.313 1.00 12.74 C ATOM 789 CG ASP A 48 -6.459 -5.208 14.308 1.00 13.55 C ATOM 790 OD1 ASP A 48 -7.709 -5.275 14.269 1.00 14.03 O ATOM 791 OD2 ASP A 48 -5.854 -4.516 15.152 1.00 14.17 O ATOM 792 HA ASP A 48 -5.789 -7.360 11.675 1.00 0.00 H ATOM 793 HB2 ASP A 48 -5.011 -6.712 13.864 1.00 0.00 H ATOM 794 HB3 ASP A 48 -4.974 -5.303 12.778 1.00 0.00 H ATOM 795 H ASP A 48 -7.756 -5.092 11.743 1.00 0.00 H ATOM 796 N GLY A 49 -8.660 -7.824 12.474 1.00 10.85 N ATOM 797 CA GLY A 49 -9.651 -8.678 13.109 1.00 13.84 C ATOM 798 C GLY A 49 -10.559 -7.917 14.057 1.00 17.90 C ATOM 799 O GLY A 49 -11.735 -8.262 14.217 1.00 23.37 O ATOM 800 HA3 GLY A 49 -9.133 -9.456 13.671 1.00 0.00 H ATOM 801 HA2 GLY A 49 -10.263 -9.138 12.334 1.00 0.00 H ATOM 802 H GLY A 49 -8.912 -7.283 11.622 1.00 0.00 H ATOM 803 N LEU A 50 -10.020 -6.886 14.700 1.00 12.46 N ATOM 804 CA LEU A 50 -10.804 -6.111 15.663 1.00 14.28 C ATOM 805 C LEU A 50 -11.187 -4.780 15.037 1.00 12.04 C ATOM 806 O LEU A 50 -12.331 -4.309 15.156 1.00 13.06 O ATOM 807 CB LEU A 50 -10.004 -5.847 16.940 1.00 18.49 C ATOM 808 CG LEU A 50 -9.833 -7.003 17.922 1.00 20.35 C ATOM 809 CD1 LEU A 50 -9.188 -6.505 19.196 1.00 21.81 C ATOM 810 CD2 LEU A 50 -11.173 -7.651 18.215 1.00 20.30 C ATOM 811 HA LEU A 50 -11.694 -6.684 15.922 1.00 0.00 H ATOM 812 HB2 LEU A 50 -9.007 -5.525 16.639 1.00 0.00 H ATOM 813 HB3 LEU A 50 -10.501 -5.037 17.474 1.00 0.00 H ATOM 814 HG LEU A 50 -9.184 -7.756 17.474 1.00 0.00 H ATOM 815 HD21 LEU A 50 -11.845 -6.912 18.650 1.00 0.00 H ATOM 816 HD22 LEU A 50 -11.601 -8.032 17.288 1.00 0.00 H ATOM 817 HD23 LEU A 50 -11.032 -8.473 18.917 1.00 0.00 H ATOM 818 HD11 LEU A 50 -8.211 -6.081 18.965 1.00 0.00 H ATOM 819 HD12 LEU A 50 -9.820 -5.740 19.647 1.00 0.00 H ATOM 820 HD13 LEU A 50 -9.070 -7.336 19.891 1.00 0.00 H ATOM 821 H LEU A 50 -9.030 -6.627 14.517 1.00 0.00 H ATOM 822 N ASN A 51 -10.206 -4.164 14.388 1.00 10.19 N ATOM 823 CA ASN A 51 -10.396 -2.869 13.755 1.00 9.22 C ATOM 824 C ASN A 51 -10.042 -2.879 12.285 1.00 11.34 C ATOM 825 O ASN A 51 -9.228 -3.685 11.843 1.00 11.51 O ATOM 826 CB ASN A 51 -9.496 -1.807 14.401 1.00 9.94 C ATOM 827 CG ASN A 51 -9.984 -1.357 15.759 1.00 15.46 C ATOM 828 OD1 ASN A 51 -9.248 -1.427 16.740 1.00 15.73 O ATOM 829 ND2 ASN A 51 -11.222 -0.866 15.821 1.00 16.57 N ATOM 830 HA ASN A 51 -11.454 -2.641 13.884 1.00 0.00 H ATOM 831 HB2 ASN A 51 -8.495 -2.223 14.513 1.00 0.00 H ATOM 832 HB3 ASN A 51 -9.456 -0.939 13.742 1.00 0.00 H ATOM 833 HD22 ASN A 51 -11.809 -0.826 14.964 1.00 0.00 H ATOM 834 HD21 ASN A 51 -11.600 -0.523 16.727 1.00 0.00 H ATOM 835 H ASN A 51 -9.274 -4.622 14.331 1.00 0.00 H ATOM 836 N THR A 52 -10.645 -1.961 11.537 1.00 11.07 N ATOM 837 CA THR A 52 -10.147 -1.621 10.208 1.00 9.90 C ATOM 838 C THR A 52 -9.533 -0.231 10.281 1.00 12.24 C ATOM 839 O THR A 52 -9.874 0.568 11.160 1.00 13.99 O ATOM 840 CB THR A 52 -11.243 -1.620 9.125 1.00 13.48 C ATOM 841 OG1 THR A 52 -12.299 -0.724 9.506 1.00 13.97 O ATOM 842 CG2 THR A 52 -11.801 -3.018 8.905 1.00 14.36 C ATOM 843 HA THR A 52 -9.422 -2.383 9.922 1.00 0.00 H ATOM 844 HB THR A 52 -10.799 -1.284 8.188 1.00 0.00 H ATOM 845 HG1 THR A 52 -11.934 0.191 9.605 1.00 0.00 H ATOM 846 HG23 THR A 52 -10.992 -3.689 8.617 1.00 0.00 H ATOM 847 HG21 THR A 52 -12.259 -3.374 9.828 1.00 0.00 H ATOM 848 HG22 THR A 52 -12.550 -2.988 8.114 1.00 0.00 H ATOM 849 H THR A 52 -11.488 -1.476 11.906 1.00 0.00 H ATOM 850 N LEU A 53 -8.618 0.053 9.360 1.00 9.78 N ATOM 851 CA LEU A 53 -7.976 1.363 9.276 1.00 11.71 C ATOM 852 C LEU A 53 -7.698 1.618 7.807 1.00 11.16 C ATOM 853 O LEU A 53 -7.184 0.737 7.110 1.00 9.44 O ATOM 854 CB LEU A 53 -6.662 1.363 10.065 1.00 13.39 C ATOM 855 CG LEU A 53 -5.890 2.678 10.179 1.00 18.98 C ATOM 856 CD1 LEU A 53 -6.634 3.654 11.058 1.00 21.19 C ATOM 857 CD2 LEU A 53 -4.493 2.424 10.725 1.00 21.16 C ATOM 858 HA LEU A 53 -8.616 2.138 9.698 1.00 0.00 H ATOM 859 HB2 LEU A 53 -6.893 1.034 11.078 1.00 0.00 H ATOM 860 HB3 LEU A 53 -6.000 0.639 9.591 1.00 0.00 H ATOM 861 HG LEU A 53 -5.799 3.115 9.184 1.00 0.00 H ATOM 862 HD21 LEU A 53 -4.567 1.968 11.712 1.00 0.00 H ATOM 863 HD22 LEU A 53 -3.958 1.753 10.053 1.00 0.00 H ATOM 864 HD23 LEU A 53 -3.956 3.370 10.800 1.00 0.00 H ATOM 865 HD11 LEU A 53 -7.615 3.855 10.627 1.00 0.00 H ATOM 866 HD12 LEU A 53 -6.754 3.226 12.053 1.00 0.00 H ATOM 867 HD13 LEU A 53 -6.069 4.583 11.127 1.00 0.00 H ATOM 868 H LEU A 53 -8.350 -0.682 8.675 1.00 0.00 H ATOM 869 N SER A 54 -8.036 2.810 7.328 1.00 12.65 N ATOM 870 CA SER A 54 -7.922 3.100 5.898 1.00 12.57 C ATOM 871 C SER A 54 -6.684 3.923 5.549 1.00 14.18 C ATOM 872 O SER A 54 -6.483 4.278 4.393 1.00 15.41 O ATOM 873 CB SER A 54 -9.165 3.859 5.423 1.00 17.38 C ATOM 874 OG SER A 54 -9.201 5.157 5.985 1.00 20.69 O ATOM 875 HA SER A 54 -7.832 2.138 5.394 1.00 0.00 H ATOM 876 HB2 SER A 54 -10.057 3.312 5.727 1.00 0.00 H ATOM 877 HB3 SER A 54 -9.142 3.939 4.336 1.00 0.00 H ATOM 878 HG SER A 54 -9.225 5.087 6.972 1.00 0.00 H ATOM 879 H SER A 54 -8.385 3.545 7.976 1.00 0.00 H ATOM 880 N SER A 55 -5.842 4.211 6.534 1.00 12.92 N ATOM 881 CA SER A 55 -4.731 5.134 6.308 1.00 13.60 C ATOM 882 C SER A 55 -3.412 4.447 5.961 1.00 12.82 C ATOM 883 O SER A 55 -2.339 4.944 6.279 1.00 18.32 O ATOM 884 CB SER A 55 -4.532 6.044 7.516 1.00 17.84 C ATOM 885 OG SER A 55 -4.254 5.280 8.666 1.00 19.53 O ATOM 886 HA SER A 55 -5.015 5.722 5.435 1.00 0.00 H ATOM 887 HB2 SER A 55 -5.439 6.625 7.681 1.00 0.00 H ATOM 888 HB3 SER A 55 -3.699 6.720 7.323 1.00 0.00 H ATOM 889 HG SER A 55 -3.429 4.753 8.519 1.00 0.00 H ATOM 890 H SER A 55 -5.973 3.778 7.471 1.00 0.00 H ATOM 891 N PHE A 56 -3.481 3.313 5.282 1.00 11.87 N ATOM 892 CA PHE A 56 -2.260 2.642 4.852 1.00 11.76 C ATOM 893 C PHE A 56 -1.939 2.990 3.417 1.00 13.05 C ATOM 894 O PHE A 56 -2.838 3.074 2.579 1.00 12.49 O ATOM 895 CB PHE A 56 -2.442 1.128 4.917 1.00 10.80 C ATOM 896 CG PHE A 56 -2.518 0.584 6.311 1.00 11.44 C ATOM 897 CD1 PHE A 56 -3.740 0.480 6.966 1.00 14.71 C ATOM 898 CD2 PHE A 56 -1.363 0.171 6.971 1.00 11.51 C ATOM 899 CE1 PHE A 56 -3.815 -0.039 8.262 1.00 17.16 C ATOM 900 CE2 PHE A 56 -1.430 -0.341 8.268 1.00 10.04 C ATOM 901 CZ PHE A 56 -2.656 -0.448 8.908 1.00 15.32 C ATOM 902 HA PHE A 56 -1.457 2.967 5.513 1.00 0.00 H ATOM 903 HB2 PHE A 56 -3.365 0.871 4.397 1.00 0.00 H ATOM 904 HB3 PHE A 56 -1.598 0.659 4.411 1.00 0.00 H ATOM 905 HD2 PHE A 56 -0.398 0.248 6.470 1.00 0.00 H ATOM 906 HE2 PHE A 56 -0.519 -0.656 8.777 1.00 0.00 H ATOM 907 HZ PHE A 56 -2.710 -0.853 9.918 1.00 0.00 H ATOM 908 HE1 PHE A 56 -4.779 -0.122 8.763 1.00 0.00 H ATOM 909 HD1 PHE A 56 -4.650 0.807 6.463 1.00 0.00 H ATOM 910 H PHE A 56 -4.408 2.900 5.055 1.00 0.00 H ATOM 911 N MET A 57 -0.653 3.176 3.133 1.00 12.37 N ATOM 912 CA MET A 57 -0.206 3.350 1.756 1.00 15.21 C ATOM 913 C MET A 57 0.976 2.448 1.465 1.00 13.60 C ATOM 914 O MET A 57 1.843 2.238 2.312 1.00 14.65 O ATOM 915 CB MET A 57 0.164 4.802 1.471 1.00 17.40 C ATOM 916 CG MET A 57 -1.045 5.689 1.239 1.00 20.16 C ATOM 917 SD MET A 57 -0.629 7.395 0.841 1.00 23.67 S ATOM 918 CE MET A 57 -0.182 8.018 2.461 1.00 29.04 C ATOM 919 HA MET A 57 -1.034 3.076 1.102 1.00 0.00 H ATOM 920 HB2 MET A 57 0.722 5.192 2.322 1.00 0.00 H ATOM 921 HB3 MET A 57 0.793 4.832 0.581 1.00 0.00 H ATOM 922 HG2 MET A 57 -1.653 5.685 2.144 1.00 0.00 H ATOM 923 HG3 MET A 57 -1.623 5.274 0.413 1.00 0.00 H ATOM 924 HE1 MET A 57 -1.034 7.921 3.134 1.00 0.00 H ATOM 925 HE2 MET A 57 0.658 7.443 2.851 1.00 0.00 H ATOM 926 HE3 MET A 57 0.101 9.067 2.380 1.00 0.00 H ATOM 927 H MET A 57 0.044 3.198 3.904 1.00 0.00 H ATOM 928 N LEU A 58 0.997 1.897 0.255 1.00 10.74 N ATOM 929 CA LEU A 58 2.099 1.030 -0.157 1.00 13.35 C ATOM 930 C LEU A 58 3.295 1.854 -0.607 1.00 14.57 C ATOM 931 O LEU A 58 3.135 2.828 -1.350 1.00 16.80 O ATOM 932 CB LEU A 58 1.685 0.165 -1.344 1.00 16.55 C ATOM 933 CG LEU A 58 1.114 -1.233 -1.196 1.00 22.93 C ATOM 934 CD1 LEU A 58 1.180 -1.903 -2.553 1.00 21.01 C ATOM 935 CD2 LEU A 58 1.880 -2.040 -0.168 1.00 23.54 C ATOM 936 HA LEU A 58 2.358 0.413 0.703 1.00 0.00 H ATOM 937 HB2 LEU A 58 0.933 0.740 -1.885 1.00 0.00 H ATOM 938 HB3 LEU A 58 2.576 0.060 -1.963 1.00 0.00 H ATOM 939 HG LEU A 58 0.084 -1.173 -0.846 1.00 0.00 H ATOM 940 HD21 LEU A 58 2.922 -2.123 -0.476 1.00 0.00 H ATOM 941 HD22 LEU A 58 1.825 -1.540 0.799 1.00 0.00 H ATOM 942 HD23 LEU A 58 1.442 -3.035 -0.090 1.00 0.00 H ATOM 943 HD11 LEU A 58 0.594 -1.327 -3.270 1.00 0.00 H ATOM 944 HD12 LEU A 58 2.218 -1.950 -2.884 1.00 0.00 H ATOM 945 HD13 LEU A 58 0.775 -2.912 -2.478 1.00 0.00 H ATOM 946 H LEU A 58 0.218 2.086 -0.408 1.00 0.00 H ATOM 947 N ALA A 59 4.498 1.467 -0.184 1.00 14.15 N ATOM 948 CA ALA A 59 5.709 2.014 -0.790 1.00 16.42 C ATOM 949 C ALA A 59 5.671 1.657 -2.272 1.00 13.58 C ATOM 950 O ALA A 59 5.227 0.573 -2.640 1.00 15.06 O ATOM 951 CB ALA A 59 6.949 1.438 -0.138 1.00 17.95 C ATOM 952 HA ALA A 59 5.748 3.095 -0.652 1.00 0.00 H ATOM 953 HB1 ALA A 59 6.947 1.683 0.924 1.00 0.00 H ATOM 954 HB2 ALA A 59 6.953 0.355 -0.262 1.00 0.00 H ATOM 955 HB3 ALA A 59 7.836 1.862 -0.609 1.00 0.00 H ATOM 956 H ALA A 59 4.575 0.770 0.584 1.00 0.00 H ATOM 957 N THR A 60 6.128 2.569 -3.123 1.00 17.12 N ATOM 958 CA THR A 60 6.046 2.337 -4.560 1.00 15.66 C ATOM 959 C THR A 60 6.804 1.091 -5.001 1.00 16.00 C ATOM 960 O THR A 60 6.451 0.474 -6.005 1.00 15.75 O ATOM 961 CB THR A 60 6.503 3.560 -5.364 1.00 21.62 C ATOM 962 OG1 THR A 60 7.762 4.018 -4.865 1.00 22.85 O ATOM 963 CG2 THR A 60 5.480 4.676 -5.242 1.00 26.35 C ATOM 964 HA THR A 60 4.991 2.165 -4.773 1.00 0.00 H ATOM 965 HB THR A 60 6.603 3.277 -6.412 1.00 0.00 H ATOM 966 HG1 THR A 60 7.667 4.267 -3.912 1.00 0.00 H ATOM 967 HG23 THR A 60 4.519 4.329 -5.622 1.00 0.00 H ATOM 968 HG21 THR A 60 5.377 4.960 -4.195 1.00 0.00 H ATOM 969 HG22 THR A 60 5.812 5.537 -5.822 1.00 0.00 H ATOM 970 H THR A 60 6.545 3.451 -2.763 1.00 0.00 H ATOM 971 N GLN A 61 7.834 0.713 -4.247 1.00 18.36 N ATOM 972 CA GLN A 61 8.584 -0.501 -4.560 1.00 20.05 C ATOM 973 C GLN A 61 7.720 -1.758 -4.465 1.00 19.92 C ATOM 974 O GLN A 61 8.058 -2.787 -5.047 1.00 21.51 O ATOM 975 CB GLN A 61 9.814 -0.641 -3.653 1.00 23.45 C ATOM 976 CG GLN A 61 9.487 -0.995 -2.207 1.00 24.87 C ATOM 977 CD GLN A 61 10.655 -0.747 -1.279 1.00 26.29 C ATOM 978 OE1 GLN A 61 11.702 -0.255 -1.699 1.00 27.01 O ATOM 979 NE2 GLN A 61 10.480 -1.077 -0.007 1.00 27.67 N ATOM 980 HA GLN A 61 8.914 -0.402 -5.594 1.00 0.00 H ATOM 981 HB2 GLN A 61 10.453 -1.424 -4.061 1.00 0.00 H ATOM 982 HB3 GLN A 61 10.354 0.306 -3.660 1.00 0.00 H ATOM 983 HG2 GLN A 61 8.643 -0.388 -1.879 1.00 0.00 H ATOM 984 HG3 GLN A 61 9.216 -2.050 -2.156 1.00 0.00 H ATOM 985 HE22 GLN A 61 9.578 -1.490 0.304 1.00 0.00 H ATOM 986 HE21 GLN A 61 11.245 -0.922 0.680 1.00 0.00 H ATOM 987 H GLN A 61 8.108 1.289 -3.425 1.00 0.00 H ATOM 988 N LEU A 62 6.609 -1.673 -3.738 1.00 15.12 N ATOM 989 CA LEU A 62 5.709 -2.817 -3.599 1.00 12.65 C ATOM 990 C LEU A 62 4.597 -2.817 -4.639 1.00 10.24 C ATOM 991 O LEU A 62 3.783 -3.734 -4.656 1.00 11.37 O ATOM 992 CB LEU A 62 5.096 -2.873 -2.198 1.00 14.00 C ATOM 993 CG LEU A 62 6.088 -3.034 -1.048 1.00 18.75 C ATOM 994 CD1 LEU A 62 5.369 -3.133 0.288 1.00 18.63 C ATOM 995 CD2 LEU A 62 6.967 -4.244 -1.286 1.00 22.18 C ATOM 996 HA LEU A 62 6.322 -3.704 -3.762 1.00 0.00 H ATOM 997 HB2 LEU A 62 4.543 -1.948 -2.037 1.00 0.00 H ATOM 998 HB3 LEU A 62 4.407 -3.717 -2.167 1.00 0.00 H ATOM 999 HG LEU A 62 6.721 -2.148 -1.011 1.00 0.00 H ATOM 1000 HD21 LEU A 62 6.345 -5.137 -1.351 1.00 0.00 H ATOM 1001 HD22 LEU A 62 7.517 -4.115 -2.218 1.00 0.00 H ATOM 1002 HD23 LEU A 62 7.670 -4.349 -0.460 1.00 0.00 H ATOM 1003 HD11 LEU A 62 4.787 -2.226 0.454 1.00 0.00 H ATOM 1004 HD12 LEU A 62 4.704 -3.996 0.278 1.00 0.00 H ATOM 1005 HD13 LEU A 62 6.102 -3.247 1.086 1.00 0.00 H ATOM 1006 H LEU A 62 6.377 -0.779 -3.261 1.00 0.00 H ATOM 1007 N ASN A 63 4.557 -1.805 -5.506 1.00 11.51 N ATOM 1008 CA ASN A 63 3.520 -1.751 -6.540 1.00 11.82 C ATOM 1009 C ASN A 63 3.342 -3.034 -7.369 1.00 11.65 C ATOM 1010 O ASN A 63 2.207 -3.398 -7.691 1.00 11.73 O ATOM 1011 CB ASN A 63 3.735 -0.559 -7.473 1.00 11.92 C ATOM 1012 CG ASN A 63 3.283 0.750 -6.862 1.00 11.24 C ATOM 1013 OD1 ASN A 63 2.917 0.816 -5.677 1.00 13.28 O ATOM 1014 ND2 ASN A 63 3.301 1.806 -7.669 1.00 13.00 N ATOM 1015 HA ASN A 63 2.593 -1.635 -5.978 1.00 0.00 H ATOM 1016 HB2 ASN A 63 4.797 -0.486 -7.707 1.00 0.00 H ATOM 1017 HB3 ASN A 63 3.172 -0.728 -8.391 1.00 0.00 H ATOM 1018 HD22 ASN A 63 3.616 1.702 -8.655 1.00 0.00 H ATOM 1019 HD21 ASN A 63 3.000 2.736 -7.315 1.00 0.00 H ATOM 1020 H ASN A 63 5.268 -1.048 -5.448 1.00 0.00 H ATOM 1021 N PRO A 64 4.450 -3.720 -7.722 1.00 10.98 N ATOM 1022 CA PRO A 64 4.247 -4.936 -8.518 1.00 13.30 C ATOM 1023 C PRO A 64 3.385 -5.984 -7.824 1.00 12.45 C ATOM 1024 O PRO A 64 2.766 -6.774 -8.531 1.00 13.80 O ATOM 1025 CB PRO A 64 5.669 -5.466 -8.713 1.00 14.12 C ATOM 1026 CG PRO A 64 6.501 -4.226 -8.727 1.00 16.16 C ATOM 1027 CD PRO A 64 5.877 -3.344 -7.674 1.00 12.67 C ATOM 1028 HA PRO A 64 3.713 -4.718 -9.443 1.00 0.00 H ATOM 1029 HD3 PRO A 64 6.302 -3.547 -6.691 1.00 0.00 H ATOM 1030 HD2 PRO A 64 6.012 -2.290 -7.916 1.00 0.00 H ATOM 1031 HG3 PRO A 64 6.462 -3.746 -9.705 1.00 0.00 H ATOM 1032 HG2 PRO A 64 7.537 -4.453 -8.476 1.00 0.00 H ATOM 1033 HB2 PRO A 64 5.958 -6.121 -7.891 1.00 0.00 H ATOM 1034 HB3 PRO A 64 5.758 -6.007 -9.655 1.00 0.00 H ATOM 1035 N LEU A 65 3.339 -6.004 -6.490 1.00 12.06 N ATOM 1036 CA LEU A 65 2.492 -6.978 -5.802 1.00 12.45 C ATOM 1037 C LEU A 65 1.022 -6.752 -6.143 1.00 12.79 C ATOM 1038 O LEU A 65 0.258 -7.704 -6.276 1.00 12.98 O ATOM 1039 CB LEU A 65 2.673 -6.901 -4.285 1.00 13.51 C ATOM 1040 CG LEU A 65 4.107 -7.071 -3.798 1.00 16.87 C ATOM 1041 CD1 LEU A 65 4.174 -7.110 -2.276 1.00 20.08 C ATOM 1042 CD2 LEU A 65 4.732 -8.314 -4.392 1.00 20.69 C ATOM 1043 HA LEU A 65 2.797 -7.968 -6.143 1.00 0.00 H ATOM 1044 HB2 LEU A 65 2.315 -5.927 -3.950 1.00 0.00 H ATOM 1045 HB3 LEU A 65 2.066 -7.685 -3.832 1.00 0.00 H ATOM 1046 HG LEU A 65 4.677 -6.205 -4.135 1.00 0.00 H ATOM 1047 HD21 LEU A 65 4.153 -9.188 -4.094 1.00 0.00 H ATOM 1048 HD22 LEU A 65 4.737 -8.233 -5.479 1.00 0.00 H ATOM 1049 HD23 LEU A 65 5.755 -8.413 -4.029 1.00 0.00 H ATOM 1050 HD11 LEU A 65 3.778 -6.178 -1.872 1.00 0.00 H ATOM 1051 HD12 LEU A 65 3.581 -7.948 -1.909 1.00 0.00 H ATOM 1052 HD13 LEU A 65 5.211 -7.232 -1.962 1.00 0.00 H ATOM 1053 H LEU A 65 3.905 -5.327 -5.940 1.00 0.00 H ATOM 1054 N VAL A 66 0.626 -5.490 -6.262 1.00 11.04 N ATOM 1055 CA VAL A 66 -0.749 -5.158 -6.621 1.00 10.69 C ATOM 1056 C VAL A 66 -0.978 -5.379 -8.105 1.00 13.20 C ATOM 1057 O VAL A 66 -1.982 -5.961 -8.511 1.00 15.56 O ATOM 1058 CB VAL A 66 -1.076 -3.696 -6.271 1.00 12.04 C ATOM 1059 CG1 VAL A 66 -2.469 -3.335 -6.744 1.00 14.60 C ATOM 1060 CG2 VAL A 66 -0.968 -3.500 -4.786 1.00 13.69 C ATOM 1061 HA VAL A 66 -1.406 -5.813 -6.049 1.00 0.00 H ATOM 1062 HB VAL A 66 -0.363 -3.043 -6.775 1.00 0.00 H ATOM 1063 HG11 VAL A 66 -2.529 -3.462 -7.825 1.00 0.00 H ATOM 1064 HG12 VAL A 66 -3.196 -3.987 -6.259 1.00 0.00 H ATOM 1065 HG13 VAL A 66 -2.681 -2.297 -6.487 1.00 0.00 H ATOM 1066 HG21 VAL A 66 -1.672 -4.161 -4.281 1.00 0.00 H ATOM 1067 HG22 VAL A 66 0.047 -3.733 -4.463 1.00 0.00 H ATOM 1068 HG23 VAL A 66 -1.200 -2.464 -4.540 1.00 0.00 H ATOM 1069 H VAL A 66 1.309 -4.723 -6.096 1.00 0.00 H ATOM 1070 N GLU A 67 -0.030 -4.922 -8.918 1.00 13.18 N ATOM 1071 CA GLU A 67 -0.210 -4.906 -10.359 1.00 13.48 C ATOM 1072 C GLU A 67 -0.144 -6.289 -10.986 1.00 12.82 C ATOM 1073 O GLU A 67 -0.751 -6.520 -12.027 1.00 17.38 O ATOM 1074 CB GLU A 67 0.755 -3.909 -11.004 1.00 15.61 C ATOM 1075 CG GLU A 67 0.422 -2.477 -10.572 1.00 16.64 C ATOM 1076 CD GLU A 67 1.481 -1.462 -10.928 1.00 19.38 C ATOM 1077 OE1 GLU A 67 2.511 -1.841 -11.524 1.00 22.47 O ATOM 1078 OE2 GLU A 67 1.273 -0.271 -10.603 1.00 18.93 O ATOM 1079 HA GLU A 67 -1.225 -4.563 -10.560 1.00 0.00 H ATOM 1080 HB2 GLU A 67 1.774 -4.148 -10.699 1.00 0.00 H ATOM 1081 HB3 GLU A 67 0.675 -3.984 -12.089 1.00 0.00 H ATOM 1082 HG2 GLU A 67 -0.510 -2.182 -11.054 1.00 0.00 H ATOM 1083 HG3 GLU A 67 0.289 -2.468 -9.490 1.00 0.00 H ATOM 1084 H GLU A 67 0.860 -4.568 -8.513 1.00 0.00 H ATOM 1085 N GLU A 68 0.543 -7.222 -10.326 1.00 14.16 N ATOM 1086 CA GLU A 68 0.542 -8.611 -10.786 1.00 14.53 C ATOM 1087 C GLU A 68 -0.411 -9.484 -9.962 1.00 17.66 C ATOM 1088 O GLU A 68 -0.371 -10.720 -10.046 1.00 18.28 O ATOM 1089 CB GLU A 68 1.963 -9.179 -10.794 1.00 15.46 C ATOM 1090 CG GLU A 68 2.931 -8.296 -11.568 1.00 17.34 C ATOM 1091 CD GLU A 68 4.282 -8.934 -11.803 1.00 23.63 C ATOM 1092 OE1 GLU A 68 5.244 -8.180 -12.063 1.00 21.94 O ATOM 1093 OE2 GLU A 68 4.384 -10.180 -11.748 1.00 24.11 O ATOM 1094 HA GLU A 68 0.170 -8.621 -11.810 1.00 0.00 H ATOM 1095 HB2 GLU A 68 2.312 -9.266 -9.765 1.00 0.00 H ATOM 1096 HB3 GLU A 68 1.944 -10.167 -11.254 1.00 0.00 H ATOM 1097 HG2 GLU A 68 2.487 -8.064 -12.536 1.00 0.00 H ATOM 1098 HG3 GLU A 68 3.079 -7.373 -11.007 1.00 0.00 H ATOM 1099 H GLU A 68 1.084 -6.960 -9.477 1.00 0.00 H ATOM 1100 N GLU A 69 -1.255 -8.818 -9.172 1.00 18.66 N ATOM 1101 CA GLU A 69 -2.424 -9.421 -8.516 1.00 20.87 C ATOM 1102 C GLU A 69 -2.125 -10.445 -7.417 1.00 21.29 C ATOM 1103 O GLU A 69 -2.963 -11.302 -7.119 1.00 23.27 O ATOM 1104 CB GLU A 69 -3.390 -9.992 -9.567 1.00 25.15 C ATOM 1105 CG GLU A 69 -3.872 -8.940 -10.567 1.00 30.41 C ATOM 1106 CD GLU A 69 -4.559 -9.531 -11.783 1.00 37.08 C ATOM 1107 OE1 GLU A 69 -4.950 -10.715 -11.749 1.00 38.52 O ATOM 1108 OE2 GLU A 69 -4.706 -8.800 -12.783 1.00 42.76 O ATOM 1109 HA GLU A 69 -2.897 -8.599 -7.978 1.00 0.00 H ATOM 1110 HB2 GLU A 69 -2.880 -10.785 -10.114 1.00 0.00 H ATOM 1111 HB3 GLU A 69 -4.257 -10.407 -9.053 1.00 0.00 H ATOM 1112 HG2 GLU A 69 -4.575 -8.279 -10.061 1.00 0.00 H ATOM 1113 HG3 GLU A 69 -3.011 -8.363 -10.903 1.00 0.00 H ATOM 1114 H GLU A 69 -1.074 -7.807 -9.010 1.00 0.00 H ATOM 1115 N GLN A 70 -0.941 -10.358 -6.813 1.00 21.27 N ATOM 1116 CA GLN A 70 -0.623 -11.204 -5.662 1.00 20.75 C ATOM 1117 C GLN A 70 -1.200 -10.601 -4.387 1.00 20.75 C ATOM 1118 O GLN A 70 -1.573 -11.313 -3.450 1.00 22.59 O ATOM 1119 CB GLN A 70 0.888 -11.381 -5.497 1.00 23.59 C ATOM 1120 CG GLN A 70 1.527 -12.356 -6.464 1.00 26.06 C ATOM 1121 CD GLN A 70 2.267 -11.649 -7.569 1.00 27.16 C ATOM 1122 OE1 GLN A 70 2.231 -10.422 -7.659 1.00 27.02 O ATOM 1123 NE2 GLN A 70 2.945 -12.414 -8.417 1.00 29.17 N ATOM 1124 HA GLN A 70 -1.069 -12.182 -5.842 1.00 0.00 H ATOM 1125 HB2 GLN A 70 1.360 -10.408 -5.636 1.00 0.00 H ATOM 1126 HB3 GLN A 70 1.079 -11.735 -4.484 1.00 0.00 H ATOM 1127 HG2 GLN A 70 2.228 -12.986 -5.917 1.00 0.00 H ATOM 1128 HG3 GLN A 70 0.748 -12.978 -6.904 1.00 0.00 H ATOM 1129 HE22 GLN A 70 2.945 -13.447 -8.299 1.00 0.00 H ATOM 1130 HE21 GLN A 70 3.476 -11.980 -9.199 1.00 0.00 H ATOM 1131 H GLN A 70 -0.234 -9.681 -7.164 1.00 0.00 H ATOM 1132 N LEU A 71 -1.258 -9.276 -4.362 1.00 17.93 N ATOM 1133 CA LEU A 71 -1.800 -8.532 -3.236 1.00 16.61 C ATOM 1134 C LEU A 71 -3.152 -7.971 -3.666 1.00 18.59 C ATOM 1135 O LEU A 71 -3.214 -7.058 -4.489 1.00 18.64 O ATOM 1136 CB LEU A 71 -0.843 -7.393 -2.876 1.00 19.15 C ATOM 1137 CG LEU A 71 -1.020 -6.626 -1.563 1.00 24.66 C ATOM 1138 CD1 LEU A 71 -0.684 -7.548 -0.441 1.00 28.24 C ATOM 1139 CD2 LEU A 71 -0.130 -5.388 -1.511 1.00 24.39 C ATOM 1140 HA LEU A 71 -1.919 -9.172 -2.361 1.00 0.00 H ATOM 1141 HB2 LEU A 71 0.160 -7.819 -2.858 1.00 0.00 H ATOM 1142 HB3 LEU A 71 -0.911 -6.660 -3.680 1.00 0.00 H ATOM 1143 HG LEU A 71 -2.051 -6.282 -1.484 1.00 0.00 H ATOM 1144 HD21 LEU A 71 0.914 -5.689 -1.596 1.00 0.00 H ATOM 1145 HD22 LEU A 71 -0.386 -4.723 -2.336 1.00 0.00 H ATOM 1146 HD23 LEU A 71 -0.284 -4.871 -0.564 1.00 0.00 H ATOM 1147 HD11 LEU A 71 -1.352 -8.409 -0.467 1.00 0.00 H ATOM 1148 HD12 LEU A 71 0.348 -7.884 -0.545 1.00 0.00 H ATOM 1149 HD13 LEU A 71 -0.803 -7.023 0.507 1.00 0.00 H ATOM 1150 H LEU A 71 -0.901 -8.747 -5.183 1.00 0.00 H ATOM 1151 N SER A 72 -4.235 -8.529 -3.127 1.00 17.93 N ATOM 1152 CA SER A 72 -5.592 -8.104 -3.484 1.00 15.71 C ATOM 1153 C SER A 72 -6.547 -8.267 -2.305 1.00 13.72 C ATOM 1154 O SER A 72 -6.198 -8.887 -1.298 1.00 13.28 O ATOM 1155 CB SER A 72 -6.115 -8.895 -4.684 1.00 19.73 C ATOM 1156 OG SER A 72 -6.257 -10.265 -4.371 1.00 21.09 O ATOM 1157 HA SER A 72 -5.543 -7.048 -3.751 1.00 0.00 H ATOM 1158 HB2 SER A 72 -5.414 -8.790 -5.512 1.00 0.00 H ATOM 1159 HB3 SER A 72 -7.085 -8.495 -4.978 1.00 0.00 H ATOM 1160 HG SER A 72 -6.596 -10.750 -5.165 1.00 0.00 H ATOM 1161 H SER A 72 -4.114 -9.291 -2.430 1.00 0.00 H ATOM 1162 N SER A 73 -7.756 -7.726 -2.442 1.00 14.46 N ATOM 1163 CA SER A 73 -8.746 -7.777 -1.374 1.00 14.11 C ATOM 1164 C SER A 73 -8.978 -9.209 -0.889 1.00 12.85 C ATOM 1165 O SER A 73 -9.175 -10.119 -1.702 1.00 13.72 O ATOM 1166 CB SER A 73 -10.059 -7.144 -1.842 1.00 16.64 C ATOM 1167 OG SER A 73 -9.843 -5.804 -2.244 1.00 18.40 O ATOM 1168 HA SER A 73 -8.360 -7.206 -0.530 1.00 0.00 H ATOM 1169 HB2 SER A 73 -10.779 -7.163 -1.024 1.00 0.00 H ATOM 1170 HB3 SER A 73 -10.453 -7.713 -2.684 1.00 0.00 H ATOM 1171 HG SER A 73 -9.191 -5.785 -2.989 1.00 0.00 H ATOM 1172 H SER A 73 -8.000 -7.254 -3.336 1.00 0.00 H ATOM 1173 N ASN A 74 -8.932 -9.373 0.438 1.00 11.93 N ATOM 1174 CA ASN A 74 -9.086 -10.626 1.198 1.00 11.84 C ATOM 1175 C ASN A 74 -7.784 -11.330 1.540 1.00 10.87 C ATOM 1176 O ASN A 74 -7.769 -12.212 2.391 1.00 11.56 O ATOM 1177 CB ASN A 74 -10.065 -11.629 0.568 1.00 13.41 C ATOM 1178 CG ASN A 74 -11.479 -11.117 0.530 1.00 18.87 C ATOM 1179 OD1 ASN A 74 -11.904 -10.375 1.413 1.00 20.83 O ATOM 1180 ND2 ASN A 74 -12.221 -11.507 -0.504 1.00 21.33 N ATOM 1181 HA ASN A 74 -9.519 -10.271 2.133 1.00 0.00 H ATOM 1182 HB2 ASN A 74 -9.742 -11.838 -0.452 1.00 0.00 H ATOM 1183 HB3 ASN A 74 -10.043 -12.550 1.150 1.00 0.00 H ATOM 1184 HD22 ASN A 74 -11.816 -12.136 -1.227 1.00 0.00 H ATOM 1185 HD21 ASN A 74 -13.205 -11.183 -0.589 1.00 0.00 H ATOM 1186 H ASN A 74 -8.768 -8.514 1.000 1.00 0.00 H ATOM 1187 N CYS A 75 -6.689 -10.966 0.883 1.00 10.11 N ATOM 1188 CA CYS A 75 -5.452 -11.652 1.212 1.00 9.77 C ATOM 1189 C CYS A 75 -4.994 -11.307 2.639 1.00 11.98 C ATOM 1190 O CYS A 75 -5.364 -10.276 3.222 1.00 11.05 O ATOM 1191 CB CYS A 75 -4.362 -11.393 0.169 1.00 10.80 C ATOM 1192 SG CYS A 75 -3.492 -9.845 0.366 1.00 12.86 S ATOM 1193 HA CYS A 75 -5.648 -12.724 1.187 1.00 0.00 H ATOM 1194 HB2 CYS A 75 -4.827 -11.398 -0.817 1.00 0.00 H ATOM 1195 HB3 CYS A 75 -3.634 -12.202 0.230 1.00 0.00 H ATOM 1196 HG CYS A 75 -2.877 -9.819 1.601 1.00 0.00 H ATOM 1197 H CYS A 75 -6.716 -10.218 0.161 1.00 0.00 H ATOM 1198 N VAL A 76 -4.231 -12.227 3.219 1.00 8.72 N ATOM 1199 CA VAL A 76 -3.681 -12.055 4.560 1.00 7.59 C ATOM 1200 C VAL A 76 -2.174 -11.868 4.421 1.00 9.76 C ATOM 1201 O VAL A 76 -1.503 -12.667 3.748 1.00 10.25 O ATOM 1202 CB VAL A 76 -4.002 -13.270 5.452 1.00 10.89 C ATOM 1203 CG1 VAL A 76 -3.201 -13.213 6.737 1.00 12.19 C ATOM 1204 CG2 VAL A 76 -5.493 -13.320 5.760 1.00 12.91 C ATOM 1205 HA VAL A 76 -4.129 -11.184 5.039 1.00 0.00 H ATOM 1206 HB VAL A 76 -3.726 -14.176 4.913 1.00 0.00 H ATOM 1207 HG11 VAL A 76 -2.137 -13.218 6.501 1.00 0.00 H ATOM 1208 HG12 VAL A 76 -3.450 -12.300 7.279 1.00 0.00 H ATOM 1209 HG13 VAL A 76 -3.442 -14.080 7.353 1.00 0.00 H ATOM 1210 HG21 VAL A 76 -5.786 -12.408 6.280 1.00 0.00 H ATOM 1211 HG22 VAL A 76 -6.053 -13.404 4.828 1.00 0.00 H ATOM 1212 HG23 VAL A 76 -5.704 -14.184 6.391 1.00 0.00 H ATOM 1213 H VAL A 76 -4.018 -13.102 2.698 1.00 0.00 H ATOM 1214 N CYS A 77 -1.645 -10.796 5.008 1.00 8.85 N ATOM 1215 CA CYS A 77 -0.236 -10.413 4.858 1.00 10.06 C ATOM 1216 C CYS A 77 0.451 -10.204 6.187 1.00 11.00 C ATOM 1217 O CYS A 77 -0.183 -9.771 7.151 1.00 12.07 O ATOM 1218 CB CYS A 77 -0.110 -9.079 4.126 1.00 10.77 C ATOM 1219 SG CYS A 77 -0.912 -8.979 2.553 1.00 13.17 S ATOM 1220 HA CYS A 77 0.226 -11.234 4.309 1.00 0.00 H ATOM 1221 HB2 CYS A 77 0.951 -8.881 3.973 1.00 0.00 H ATOM 1222 HB3 CYS A 77 -0.534 -8.306 4.766 1.00 0.00 H ATOM 1223 HG CYS A 77 -0.712 -7.724 2.016 1.00 0.00 H ATOM 1224 H CYS A 77 -2.259 -10.202 5.601 1.00 0.00 H ATOM 1225 N GLN A 78 1.751 -10.452 6.229 1.00 7.52 N ATOM 1226 CA GLN A 78 2.523 -10.063 7.391 1.00 8.25 C ATOM 1227 C GLN A 78 3.330 -8.819 7.034 1.00 10.40 C ATOM 1228 O GLN A 78 4.029 -8.785 6.017 1.00 9.66 O ATOM 1229 CB GLN A 78 3.446 -11.195 7.846 1.00 9.48 C ATOM 1230 CG GLN A 78 4.285 -10.823 9.058 1.00 10.54 C ATOM 1231 CD GLN A 78 4.807 -12.042 9.782 1.00 16.02 C ATOM 1232 OE1 GLN A 78 5.078 -13.077 9.165 1.00 20.43 O ATOM 1233 NE2 GLN A 78 4.932 -11.940 11.099 1.00 16.64 N ATOM 1234 HA GLN A 78 1.850 -9.846 8.221 1.00 0.00 H ATOM 1235 HB2 GLN A 78 2.835 -12.062 8.098 1.00 0.00 H ATOM 1236 HB3 GLN A 78 4.115 -11.450 7.024 1.00 0.00 H ATOM 1237 HG2 GLN A 78 5.131 -10.220 8.729 1.00 0.00 H ATOM 1238 HG3 GLN A 78 3.671 -10.241 9.746 1.00 0.00 H ATOM 1239 HE22 GLN A 78 4.692 -11.048 11.577 1.00 0.00 H ATOM 1240 HE21 GLN A 78 5.270 -12.752 11.654 1.00 0.00 H ATOM 1241 H GLN A 78 2.217 -10.925 5.429 1.00 0.00 H ATOM 1242 N ILE A 79 3.226 -7.785 7.862 1.00 9.70 N ATOM 1243 CA ILE A 79 3.977 -6.562 7.628 1.00 8.48 C ATOM 1244 C ILE A 79 5.349 -6.681 8.290 1.00 12.32 C ATOM 1245 O ILE A 79 5.441 -6.862 9.508 1.00 15.63 O ATOM 1246 CB ILE A 79 3.218 -5.344 8.191 1.00 9.35 C ATOM 1247 CG1 ILE A 79 1.766 -5.342 7.693 1.00 10.69 C ATOM 1248 CG2 ILE A 79 3.943 -4.046 7.834 1.00 13.06 C ATOM 1249 CD1 ILE A 79 1.603 -5.375 6.176 1.00 10.74 C ATOM 1250 HA ILE A 79 4.101 -6.418 6.555 1.00 0.00 H ATOM 1251 HB ILE A 79 3.194 -5.415 9.278 1.00 0.00 H ATOM 1252 HG12 ILE A 79 1.266 -6.218 8.106 1.00 0.00 H ATOM 1253 HG13 ILE A 79 1.282 -4.439 8.066 1.00 0.00 H ATOM 1254 HD11 ILE A 79 2.084 -4.499 5.741 1.00 0.00 H ATOM 1255 HD12 ILE A 79 2.067 -6.279 5.782 1.00 0.00 H ATOM 1256 HD13 ILE A 79 0.542 -5.371 5.926 1.00 0.00 H ATOM 1257 HG21 ILE A 79 4.947 -4.064 8.258 1.00 0.00 H ATOM 1258 HG22 ILE A 79 4.006 -3.953 6.750 1.00 0.00 H ATOM 1259 HG23 ILE A 79 3.391 -3.199 8.241 1.00 0.00 H ATOM 1260 H ILE A 79 2.599 -7.851 8.689 1.00 0.00 H ATOM 1261 N HIS A 80 6.419 -6.590 7.498 1.00 9.45 N ATOM 1262 CA HIS A 80 7.772 -6.751 8.029 1.00 10.41 C ATOM 1263 C HIS A 80 8.496 -5.441 8.288 1.00 13.11 C ATOM 1264 O HIS A 80 9.403 -5.384 9.119 1.00 17.02 O ATOM 1265 CB HIS A 80 8.605 -7.621 7.095 1.00 11.33 C ATOM 1266 CG HIS A 80 8.228 -9.063 7.146 1.00 14.67 C ATOM 1267 ND1 HIS A 80 8.803 -9.943 8.038 1.00 19.10 N ATOM 1268 CD2 HIS A 80 7.330 -9.779 6.433 1.00 17.13 C ATOM 1269 CE1 HIS A 80 8.275 -11.140 7.867 1.00 19.23 C ATOM 1270 NE2 HIS A 80 7.382 -11.070 6.902 1.00 17.65 N ATOM 1271 HA HIS A 80 7.654 -7.235 8.999 1.00 0.00 H ATOM 1272 HB2 HIS A 80 8.470 -7.263 6.074 1.00 0.00 H ATOM 1273 HB3 HIS A 80 9.654 -7.526 7.376 1.00 0.00 H ATOM 1274 HD2 HIS A 80 6.687 -9.404 5.637 1.00 0.00 H ATOM 1275 HE1 HIS A 80 8.535 -12.036 8.430 1.00 0.00 H ATOM 1276 H HIS A 80 6.288 -6.401 6.484 1.00 0.00 H ATOM 1277 N ARG A 81 8.109 -4.397 7.561 1.00 10.28 N ATOM 1278 CA ARG A 81 8.668 -3.075 7.807 1.00 12.89 C ATOM 1279 C ARG A 81 7.641 -2.020 7.464 1.00 11.48 C ATOM 1280 O ARG A 81 7.017 -2.079 6.407 1.00 11.19 O ATOM 1281 CB ARG A 81 9.934 -2.847 6.983 1.00 16.90 C ATOM 1282 CG ARG A 81 10.855 -1.800 7.584 1.00 24.64 C ATOM 1283 CD ARG A 81 12.224 -2.393 7.866 1.00 34.27 C ATOM 1284 NE ARG A 81 12.990 -2.583 6.640 1.00 38.37 N ATOM 1285 CZ ARG A 81 14.096 -1.911 6.344 1.00 43.91 C ATOM 1286 NH1 ARG A 81 14.577 -1.012 7.193 1.00 46.32 N ATOM 1287 NH2 ARG A 81 14.728 -2.145 5.202 1.00 47.40 N ATOM 1288 HA ARG A 81 8.933 -3.007 8.862 1.00 0.00 H ATOM 1289 HB2 ARG A 81 10.478 -3.789 6.914 1.00 0.00 H ATOM 1290 HB3 ARG A 81 9.644 -2.522 5.984 1.00 0.00 H ATOM 1291 HG2 ARG A 81 10.960 -0.971 6.884 1.00 0.00 H ATOM 1292 HG3 ARG A 81 10.423 -1.435 8.516 1.00 0.00 H ATOM 1293 HD2 ARG A 81 12.097 -3.358 8.357 1.00 0.00 H ATOM 1294 HD3 ARG A 81 12.772 -1.720 8.525 1.00 0.00 H ATOM 1295 HE ARG A 81 12.649 -3.288 5.956 1.00 0.00 H ATOM 1296 HH12 ARG A 81 15.444 -0.487 6.959 1.00 0.00 H ATOM 1297 HH11 ARG A 81 14.087 -0.832 8.093 1.00 0.00 H ATOM 1298 HH22 ARG A 81 15.594 -1.619 4.970 1.00 0.00 H ATOM 1299 HH21 ARG A 81 14.357 -2.855 4.538 1.00 0.00 H ATOM 1300 H ARG A 81 7.401 -4.526 6.810 1.00 0.00 H ATOM 1301 N PHE A 82 7.454 -1.062 8.366 1.00 11.94 N ATOM 1302 CA PHE A 82 6.555 0.058 8.102 1.00 11.13 C ATOM 1303 C PHE A 82 7.005 1.289 8.863 1.00 12.92 C ATOM 1304 O PHE A 82 7.790 1.208 9.814 1.00 13.21 O ATOM 1305 CB PHE A 82 5.103 -0.277 8.472 1.00 8.97 C ATOM 1306 CG PHE A 82 4.887 -0.516 9.942 1.00 11.87 C ATOM 1307 CD1 PHE A 82 5.160 -1.759 10.508 1.00 14.43 C ATOM 1308 CD2 PHE A 82 4.401 0.499 10.756 1.00 14.77 C ATOM 1309 CE1 PHE A 82 4.962 -1.977 11.869 1.00 14.96 C ATOM 1310 CE2 PHE A 82 4.193 0.279 12.111 1.00 15.90 C ATOM 1311 CZ PHE A 82 4.479 -0.960 12.661 1.00 16.23 C ATOM 1312 HA PHE A 82 6.593 0.258 7.031 1.00 0.00 H ATOM 1313 HB2 PHE A 82 4.469 0.554 8.163 1.00 0.00 H ATOM 1314 HB3 PHE A 82 4.810 -1.177 7.931 1.00 0.00 H ATOM 1315 HD2 PHE A 82 4.181 1.477 10.327 1.00 0.00 H ATOM 1316 HE2 PHE A 82 3.805 1.080 12.741 1.00 0.00 H ATOM 1317 HZ PHE A 82 4.321 -1.130 13.726 1.00 0.00 H ATOM 1318 HE1 PHE A 82 5.189 -2.950 12.306 1.00 0.00 H ATOM 1319 HD1 PHE A 82 5.532 -2.568 9.880 1.00 0.00 H ATOM 1320 H PHE A 82 7.956 -1.111 9.275 1.00 0.00 H ATOM 1321 N ILE A 83 6.520 2.441 8.422 1.00 13.41 N ATOM 1322 CA ILE A 83 6.730 3.661 9.184 1.00 16.65 C ATOM 1323 C ILE A 83 5.417 4.408 9.304 1.00 15.35 C ATOM 1324 O ILE A 83 4.533 4.287 8.447 1.00 15.62 O ATOM 1325 CB ILE A 83 7.804 4.577 8.564 1.00 23.97 C ATOM 1326 CG1 ILE A 83 7.371 5.062 7.187 1.00 25.24 C ATOM 1327 CG2 ILE A 83 9.165 3.878 8.499 1.00 26.80 C ATOM 1328 CD1 ILE A 83 7.544 6.556 7.021 1.00 28.45 C ATOM 1329 HA ILE A 83 7.096 3.373 10.170 1.00 0.00 H ATOM 1330 HB ILE A 83 7.914 5.447 9.211 1.00 0.00 H ATOM 1331 HG12 ILE A 83 7.971 4.554 6.432 1.00 0.00 H ATOM 1332 HG13 ILE A 83 6.320 4.813 7.042 1.00 0.00 H ATOM 1333 HD11 ILE A 83 6.942 7.075 7.766 1.00 0.00 H ATOM 1334 HD12 ILE A 83 8.594 6.816 7.155 1.00 0.00 H ATOM 1335 HD13 ILE A 83 7.221 6.849 6.022 1.00 0.00 H ATOM 1336 HG21 ILE A 83 9.481 3.606 9.506 1.00 0.00 H ATOM 1337 HG22 ILE A 83 9.082 2.979 7.888 1.00 0.00 H ATOM 1338 HG23 ILE A 83 9.898 4.553 8.057 1.00 0.00 H ATOM 1339 H ILE A 83 5.988 2.472 7.529 1.00 0.00 H ATOM 1340 N VAL A 84 5.292 5.175 10.378 1.00 13.44 N ATOM 1341 CA VAL A 84 4.118 6.009 10.576 1.00 11.92 C ATOM 1342 C VAL A 84 4.538 7.450 10.340 1.00 10.29 C ATOM 1343 O VAL A 84 5.568 7.896 10.849 1.00 14.22 O ATOM 1344 CB VAL A 84 3.562 5.861 11.999 1.00 17.43 C ATOM 1345 CG1 VAL A 84 2.398 6.809 12.224 1.00 19.76 C ATOM 1346 CG2 VAL A 84 3.129 4.426 12.239 1.00 18.85 C ATOM 1347 HA VAL A 84 3.332 5.706 9.884 1.00 0.00 H ATOM 1348 HB VAL A 84 4.350 6.117 12.708 1.00 0.00 H ATOM 1349 HG11 VAL A 84 2.735 7.836 12.083 1.00 0.00 H ATOM 1350 HG12 VAL A 84 1.605 6.584 11.511 1.00 0.00 H ATOM 1351 HG13 VAL A 84 2.021 6.685 13.239 1.00 0.00 H ATOM 1352 HG21 VAL A 84 2.355 4.156 11.520 1.00 0.00 H ATOM 1353 HG22 VAL A 84 3.986 3.764 12.117 1.00 0.00 H ATOM 1354 HG23 VAL A 84 2.736 4.331 13.251 1.00 0.00 H ATOM 1355 H VAL A 84 6.048 5.180 11.092 1.00 0.00 H ATOM 1356 N ASN A 85 3.756 8.165 9.539 1.00 10.69 N ATOM 1357 CA ASN A 85 3.995 9.587 9.342 1.00 11.65 C ATOM 1358 C ASN A 85 2.770 10.369 9.774 1.00 11.16 C ATOM 1359 O ASN A 85 1.657 9.861 9.732 1.00 16.30 O ATOM 1360 CB ASN A 85 4.314 9.881 7.871 1.00 14.54 C ATOM 1361 CG ASN A 85 5.801 9.924 7.597 1.00 19.95 C ATOM 1362 OD1 ASN A 85 6.599 10.171 8.497 1.00 18.36 O ATOM 1363 ND2 ASN A 85 6.182 9.687 6.348 1.00 23.51 N ATOM 1364 HA ASN A 85 4.851 9.889 9.946 1.00 0.00 H ATOM 1365 HB2 ASN A 85 3.867 9.102 7.254 1.00 0.00 H ATOM 1366 HB3 ASN A 85 3.881 10.846 7.605 1.00 0.00 H ATOM 1367 HD22 ASN A 85 5.471 9.482 5.617 1.00 0.00 H ATOM 1368 HD21 ASN A 85 7.192 9.706 6.100 1.00 0.00 H ATOM 1369 H ASN A 85 2.964 7.704 9.047 1.00 0.00 H ATOM 1370 N THR A 86 2.974 11.610 10.188 1.00 9.66 N ATOM 1371 CA THR A 86 1.861 12.439 10.630 1.00 11.67 C ATOM 1372 C THR A 86 1.775 13.652 9.722 1.00 12.86 C ATOM 1373 O THR A 86 2.781 14.337 9.491 1.00 14.51 O ATOM 1374 CB THR A 86 2.054 12.873 12.088 1.00 11.53 C ATOM 1375 OG1 THR A 86 2.212 11.706 12.903 1.00 11.74 O ATOM 1376 CG2 THR A 86 0.864 13.682 12.590 1.00 12.76 C ATOM 1377 HA THR A 86 0.934 11.868 10.575 1.00 0.00 H ATOM 1378 HB THR A 86 2.941 13.504 12.146 1.00 0.00 H ATOM 1379 HG1 THR A 86 2.337 11.978 13.847 1.00 0.00 H ATOM 1380 HG23 THR A 86 0.743 14.570 11.970 1.00 0.00 H ATOM 1381 HG21 THR A 86 -0.038 13.072 12.534 1.00 0.00 H ATOM 1382 HG22 THR A 86 1.039 13.980 13.624 1.00 0.00 H ATOM 1383 H THR A 86 3.939 11.997 10.198 1.00 0.00 H ATOM 1384 N LEU A 87 0.580 13.905 9.194 1.00 12.05 N ATOM 1385 CA LEU A 87 0.349 15.045 8.312 1.00 14.30 C ATOM 1386 C LEU A 87 0.169 16.338 9.104 1.00 13.34 C ATOM 1387 O LEU A 87 -0.005 16.310 10.327 1.00 13.31 O ATOM 1388 CB LEU A 87 -0.883 14.792 7.447 1.00 16.60 C ATOM 1389 CG LEU A 87 -0.856 13.454 6.710 1.00 17.66 C ATOM 1390 CD1 LEU A 87 -2.053 13.341 5.788 1.00 19.36 C ATOM 1391 CD2 LEU A 87 0.443 13.273 5.940 1.00 20.62 C ATOM 1392 HA LEU A 87 1.226 15.159 7.675 1.00 0.00 H ATOM 1393 HB2 LEU A 87 -1.764 14.813 8.089 1.00 0.00 H ATOM 1394 HB3 LEU A 87 -0.954 15.590 6.708 1.00 0.00 H ATOM 1395 HG LEU A 87 -0.910 12.656 7.450 1.00 0.00 H ATOM 1396 HD21 LEU A 87 0.545 14.075 5.208 1.00 0.00 H ATOM 1397 HD22 LEU A 87 1.283 13.304 6.634 1.00 0.00 H ATOM 1398 HD23 LEU A 87 0.429 12.311 5.427 1.00 0.00 H ATOM 1399 HD11 LEU A 87 -2.969 13.408 6.374 1.00 0.00 H ATOM 1400 HD12 LEU A 87 -2.027 14.151 5.059 1.00 0.00 H ATOM 1401 HD13 LEU A 87 -2.021 12.383 5.269 1.00 0.00 H ATOM 1402 H LEU A 87 -0.214 13.271 9.417 1.00 0.00 H ATOM 1403 N LYS A 88 0.217 17.472 8.408 1.00 15.87 N ATOM 1404 CA LYS A 88 0.042 18.771 9.044 1.00 16.62 C ATOM 1405 C LYS A 88 -1.247 18.874 9.843 1.00 18.13 C ATOM 1406 O LYS A 88 -1.288 19.558 10.872 1.00 19.60 O ATOM 1407 CB LYS A 88 0.055 19.892 8.001 1.00 22.80 C ATOM 1408 CG LYS A 88 1.433 20.369 7.608 1.00 29.22 C ATOM 1409 CD LYS A 88 1.364 21.515 6.604 1.00 33.75 C ATOM 1410 CE LYS A 88 0.881 21.043 5.250 1.00 37.08 C ATOM 1411 NZ LYS A 88 1.467 21.842 4.137 1.00 39.06 N ATOM 1412 HA LYS A 88 0.880 18.878 9.733 1.00 0.00 H ATOM 1413 HB2 LYS A 88 -0.448 19.529 7.105 1.00 0.00 H ATOM 1414 HB3 LYS A 88 -0.496 20.741 8.407 1.00 0.00 H ATOM 1415 HG2 LYS A 88 1.957 20.711 8.500 1.00 0.00 H ATOM 1416 HG3 LYS A 88 1.981 19.539 7.161 1.00 0.00 H ATOM 1417 HD2 LYS A 88 0.677 22.274 6.980 1.00 0.00 H ATOM 1418 HD3 LYS A 88 2.358 21.949 6.494 1.00 0.00 H ATOM 1419 HE2 LYS A 88 -0.205 21.132 5.213 1.00 0.00 H ATOM 1420 HE3 LYS A 88 1.164 19.998 5.120 1.00 0.00 H ATOM 1421 HZ1 LYS A 88 1.197 22.840 4.249 1.00 0.00 H ATOM 1422 HZ2 LYS A 88 2.503 21.758 4.160 1.00 0.00 H ATOM 1423 HZ3 LYS A 88 1.109 21.484 3.229 1.00 0.00 H ATOM 1424 H LYS A 88 0.384 17.429 7.382 1.00 0.00 H ATOM 1425 N ASP A 89 -2.301 18.211 9.368 1.00 17.87 N ATOM 1426 CA ASP A 89 -3.607 18.339 10.012 1.00 21.94 C ATOM 1427 C ASP A 89 -3.763 17.401 11.201 1.00 20.04 C ATOM 1428 O ASP A 89 -4.784 17.443 11.887 1.00 21.46 O ATOM 1429 CB ASP A 89 -4.772 18.173 9.013 1.00 24.90 C ATOM 1430 CG ASP A 89 -4.808 16.800 8.342 1.00 28.11 C ATOM 1431 OD1 ASP A 89 -4.076 15.882 8.754 1.00 24.70 O ATOM 1432 OD2 ASP A 89 -5.607 16.632 7.393 1.00 33.00 O ATOM 1433 HA ASP A 89 -3.653 19.358 10.397 1.00 0.00 H ATOM 1434 HB2 ASP A 89 -5.710 18.320 9.548 1.00 0.00 H ATOM 1435 HB3 ASP A 89 -4.674 18.934 8.238 1.00 0.00 H ATOM 1436 H ASP A 89 -2.194 17.599 8.534 1.00 0.00 H ATOM 1437 N GLY A 90 -2.744 16.572 11.442 1.00 15.29 N ATOM 1438 CA GLY A 90 -2.749 15.643 12.563 1.00 15.85 C ATOM 1439 C GLY A 90 -3.073 14.199 12.232 1.00 16.03 C ATOM 1440 O GLY A 90 -2.921 13.313 13.085 1.00 18.37 O ATOM 1441 HA3 GLY A 90 -3.488 15.994 13.283 1.00 0.00 H ATOM 1442 HA2 GLY A 90 -1.759 15.666 13.019 1.00 0.00 H ATOM 1443 H GLY A 90 -1.920 16.591 10.808 1.00 0.00 H ATOM 1444 N ARG A 91 -3.520 13.945 11.004 1.00 16.31 N ATOM 1445 CA ARG A 91 -3.814 12.575 10.600 1.00 15.41 C ATOM 1446 C ARG A 91 -2.546 11.753 10.495 1.00 14.78 C ATOM 1447 O ARG A 91 -1.491 12.248 10.081 1.00 15.30 O ATOM 1448 CB ARG A 91 -4.550 12.545 9.263 1.00 20.17 C ATOM 1449 CG ARG A 91 -6.032 12.856 9.365 1.00 29.70 C ATOM 1450 CD ARG A 91 -6.658 12.841 7.982 1.00 35.77 C ATOM 1451 NE ARG A 91 -5.995 13.803 7.107 1.00 37.96 N ATOM 1452 CZ ARG A 91 -6.287 13.977 5.824 1.00 40.85 C ATOM 1453 NH1 ARG A 91 -5.623 14.876 5.112 1.00 41.78 N ATOM 1454 NH2 ARG A 91 -7.241 13.253 5.253 1.00 43.07 N ATOM 1455 HA ARG A 91 -4.454 12.141 11.368 1.00 0.00 H ATOM 1456 HB2 ARG A 91 -4.090 13.280 8.602 1.00 0.00 H ATOM 1457 HB3 ARG A 91 -4.437 11.550 8.832 1.00 0.00 H ATOM 1458 HG2 ARG A 91 -6.517 12.106 9.990 1.00 0.00 H ATOM 1459 HG3 ARG A 91 -6.165 13.841 9.812 1.00 0.00 H ATOM 1460 HD2 ARG A 91 -7.714 13.099 8.064 1.00 0.00 H ATOM 1461 HD3 ARG A 91 -6.561 11.843 7.556 1.00 0.00 H ATOM 1462 HE ARG A 91 -5.242 14.392 7.517 1.00 0.00 H ATOM 1463 HH12 ARG A 91 -5.850 15.014 4.107 1.00 0.00 H ATOM 1464 HH11 ARG A 91 -4.875 15.444 5.559 1.00 0.00 H ATOM 1465 HH22 ARG A 91 -7.468 13.392 4.247 1.00 0.00 H ATOM 1466 HH21 ARG A 91 -7.762 12.547 5.811 1.00 0.00 H ATOM 1467 H ARG A 91 -3.660 14.726 10.331 1.00 0.00 H ATOM 1468 N ARG A 92 -2.642 10.485 10.868 1.00 17.49 N ATOM 1469 CA ARG A 92 -1.501 9.603 10.721 1.00 18.89 C ATOM 1470 C ARG A 92 -1.691 8.612 9.599 1.00 19.18 C ATOM 1471 O ARG A 92 -2.794 8.111 9.369 1.00 20.70 O ATOM 1472 CB ARG A 92 -1.172 8.909 12.035 1.00 20.81 C ATOM 1473 CG ARG A 92 -0.545 9.886 13.003 1.00 23.67 C ATOM 1474 CD ARG A 92 0.021 9.226 14.214 1.00 25.28 C ATOM 1475 NE ARG A 92 0.788 10.181 15.008 1.00 22.21 N ATOM 1476 CZ ARG A 92 0.921 10.100 16.325 1.00 21.17 C ATOM 1477 NH1 ARG A 92 0.320 9.115 16.981 1.00 24.28 N ATOM 1478 NH2 ARG A 92 1.639 10.991 16.981 1.00 18.17 N ATOM 1479 HA ARG A 92 -0.646 10.222 10.450 1.00 0.00 H ATOM 1480 HB2 ARG A 92 -2.088 8.509 12.470 1.00 0.00 H ATOM 1481 HB3 ARG A 92 -0.475 8.093 11.846 1.00 0.00 H ATOM 1482 HG2 ARG A 92 0.257 10.417 12.490 1.00 0.00 H ATOM 1483 HG3 ARG A 92 -1.307 10.599 13.320 1.00 0.00 H ATOM 1484 HD2 ARG A 92 0.674 8.410 13.905 1.00 0.00 H ATOM 1485 HD3 ARG A 92 -0.794 8.829 14.820 1.00 0.00 H ATOM 1486 HE ARG A 92 1.256 10.968 14.514 1.00 0.00 H ATOM 1487 HH12 ARG A 92 0.418 9.042 18.014 1.00 0.00 H ATOM 1488 HH11 ARG A 92 -0.249 8.416 16.462 1.00 0.00 H ATOM 1489 HH22 ARG A 92 1.738 10.920 18.014 1.00 0.00 H ATOM 1490 HH21 ARG A 92 2.106 11.764 16.465 1.00 0.00 H ATOM 1491 H ARG A 92 -3.533 10.124 11.265 1.00 0.00 H ATOM 1492 N VAL A 93 -0.602 8.371 8.880 1.00 14.52 N ATOM 1493 CA VAL A 93 -0.631 7.427 7.778 1.00 13.35 C ATOM 1494 C VAL A 93 0.470 6.399 7.967 1.00 12.70 C ATOM 1495 O VAL A 93 1.531 6.684 8.525 1.00 15.32 O ATOM 1496 CB VAL A 93 -0.456 8.121 6.428 1.00 15.45 C ATOM 1497 CG1 VAL A 93 -1.536 9.171 6.224 1.00 19.53 C ATOM 1498 CG2 VAL A 93 0.892 8.762 6.363 1.00 15.15 C ATOM 1499 HA VAL A 93 -1.607 6.942 7.778 1.00 0.00 H ATOM 1500 HB VAL A 93 -0.542 7.376 5.638 1.00 0.00 H ATOM 1501 HG11 VAL A 93 -2.515 8.693 6.253 1.00 0.00 H ATOM 1502 HG12 VAL A 93 -1.471 9.916 7.017 1.00 0.00 H ATOM 1503 HG13 VAL A 93 -1.394 9.654 5.257 1.00 0.00 H ATOM 1504 HG21 VAL A 93 0.982 9.497 7.163 1.00 0.00 H ATOM 1505 HG22 VAL A 93 1.662 7.999 6.481 1.00 0.00 H ATOM 1506 HG23 VAL A 93 1.012 9.256 5.399 1.00 0.00 H ATOM 1507 H VAL A 93 0.284 8.865 9.109 1.00 0.00 H ATOM 1508 N VAL A 94 0.195 5.172 7.543 1.00 10.53 N ATOM 1509 CA VAL A 94 1.148 4.092 7.725 1.00 10.69 C ATOM 1510 C VAL A 94 1.677 3.688 6.358 1.00 12.81 C ATOM 1511 O VAL A 94 0.905 3.282 5.482 1.00 14.62 O ATOM 1512 CB VAL A 94 0.494 2.872 8.407 1.00 11.85 C ATOM 1513 CG1 VAL A 94 1.521 1.777 8.639 1.00 14.63 C ATOM 1514 CG2 VAL A 94 -0.169 3.285 9.715 1.00 14.33 C ATOM 1515 HA VAL A 94 1.957 4.437 8.369 1.00 0.00 H ATOM 1516 HB VAL A 94 -0.277 2.476 7.746 1.00 0.00 H ATOM 1517 HG11 VAL A 94 1.941 1.466 7.682 1.00 0.00 H ATOM 1518 HG12 VAL A 94 2.317 2.157 9.280 1.00 0.00 H ATOM 1519 HG13 VAL A 94 1.040 0.926 9.121 1.00 0.00 H ATOM 1520 HG21 VAL A 94 0.581 3.706 10.384 1.00 0.00 H ATOM 1521 HG22 VAL A 94 -0.936 4.032 9.512 1.00 0.00 H ATOM 1522 HG23 VAL A 94 -0.625 2.412 10.181 1.00 0.00 H ATOM 1523 H VAL A 94 -0.714 4.982 7.075 1.00 0.00 H ATOM 1524 N ILE A 95 2.991 3.803 6.169 1.00 10.76 N ATOM 1525 CA ILE A 95 3.593 3.449 4.889 1.00 11.35 C ATOM 1526 C ILE A 95 4.150 2.037 5.014 1.00 9.75 C ATOM 1527 O ILE A 95 5.039 1.773 5.835 1.00 11.32 O ATOM 1528 CB ILE A 95 4.716 4.417 4.466 1.00 15.23 C ATOM 1529 CG1 ILE A 95 4.226 5.866 4.513 1.00 21.43 C ATOM 1530 CG2 ILE A 95 5.216 4.055 3.067 1.00 19.18 C ATOM 1531 CD1 ILE A 95 3.016 6.120 3.650 1.00 24.87 C ATOM 1532 HA ILE A 95 2.826 3.513 4.117 1.00 0.00 H ATOM 1533 HB ILE A 95 5.545 4.322 5.167 1.00 0.00 H ATOM 1534 HG12 ILE A 95 3.972 6.111 5.544 1.00 0.00 H ATOM 1535 HG13 ILE A 95 5.034 6.515 4.175 1.00 0.00 H ATOM 1536 HD11 ILE A 95 3.257 5.890 2.612 1.00 0.00 H ATOM 1537 HD12 ILE A 95 2.194 5.486 3.983 1.00 0.00 H ATOM 1538 HD13 ILE A 95 2.725 7.167 3.733 1.00 0.00 H ATOM 1539 HG21 ILE A 95 5.602 3.036 3.073 1.00 0.00 H ATOM 1540 HG22 ILE A 95 4.392 4.128 2.358 1.00 0.00 H ATOM 1541 HG23 ILE A 95 6.009 4.744 2.776 1.00 0.00 H ATOM 1542 H ILE A 95 3.594 4.149 6.943 1.00 0.00 H ATOM 1543 N LEU A 96 3.602 1.125 4.221 1.00 10.72 N ATOM 1544 CA LEU A 96 4.053 -0.267 4.234 1.00 11.79 C ATOM 1545 C LEU A 96 5.270 -0.424 3.313 1.00 13.29 C ATOM 1546 O LEU A 96 5.186 -0.179 2.099 1.00 15.12 O ATOM 1547 CB LEU A 96 2.914 -1.191 3.801 1.00 10.19 C ATOM 1548 CG LEU A 96 1.615 -1.100 4.603 1.00 11.39 C ATOM 1549 CD1 LEU A 96 0.556 -1.992 3.976 1.00 16.44 C ATOM 1550 CD2 LEU A 96 1.829 -1.451 6.073 1.00 11.00 C ATOM 1551 HA LEU A 96 4.348 -0.545 5.246 1.00 0.00 H ATOM 1552 HB2 LEU A 96 2.678 -0.961 2.762 1.00 0.00 H ATOM 1553 HB3 LEU A 96 3.275 -2.217 3.872 1.00 0.00 H ATOM 1554 HG LEU A 96 1.270 -0.067 4.572 1.00 0.00 H ATOM 1555 HD21 LEU A 96 2.208 -2.470 6.150 1.00 0.00 H ATOM 1556 HD22 LEU A 96 2.550 -0.759 6.509 1.00 0.00 H ATOM 1557 HD23 LEU A 96 0.881 -1.374 6.605 1.00 0.00 H ATOM 1558 HD11 LEU A 96 0.370 -1.668 2.952 1.00 0.00 H ATOM 1559 HD12 LEU A 96 0.907 -3.024 3.974 1.00 0.00 H ATOM 1560 HD13 LEU A 96 -0.366 -1.921 4.554 1.00 0.00 H ATOM 1561 H LEU A 96 2.836 1.406 3.576 1.00 0.00 H ATOM 1562 N MET A 97 6.408 -0.820 3.886 1.00 12.78 N ATOM 1563 CA MET A 97 7.669 -0.889 3.142 1.00 12.44 C ATOM 1564 C MET A 97 8.037 -2.302 2.698 1.00 13.62 C ATOM 1565 O MET A 97 8.580 -2.509 1.602 1.00 15.08 O ATOM 1566 CB MET A 97 8.805 -0.309 3.986 1.00 16.15 C ATOM 1567 CG MET A 97 8.576 1.122 4.434 1.00 16.32 C ATOM 1568 SD MET A 97 8.508 2.300 3.064 1.00 21.07 S ATOM 1569 CE MET A 97 9.975 1.858 2.136 1.00 32.33 C ATOM 1570 HA MET A 97 7.523 -0.300 2.236 1.00 0.00 H ATOM 1571 HB2 MET A 97 8.924 -0.931 4.873 1.00 0.00 H ATOM 1572 HB3 MET A 97 9.721 -0.341 3.396 1.00 0.00 H ATOM 1573 HG2 MET A 97 9.390 1.411 5.099 1.00 0.00 H ATOM 1574 HG3 MET A 97 7.632 1.168 4.977 1.00 0.00 H ATOM 1575 HE1 MET A 97 10.854 1.982 2.768 1.00 0.00 H ATOM 1576 HE2 MET A 97 9.901 0.819 1.815 1.00 0.00 H ATOM 1577 HE3 MET A 97 10.059 2.504 1.262 1.00 0.00 H ATOM 1578 H MET A 97 6.400 -1.088 4.891 1.00 0.00 H ATOM 1579 N GLU A 98 7.756 -3.272 3.561 1.00 11.78 N ATOM 1580 CA GLU A 98 8.009 -4.674 3.243 1.00 12.62 C ATOM 1581 C GLU A 98 6.865 -5.475 3.792 1.00 10.84 C ATOM 1582 O GLU A 98 6.468 -5.289 4.946 1.00 10.63 O ATOM 1583 CB GLU A 98 9.295 -5.183 3.899 1.00 16.06 C ATOM 1584 CG GLU A 98 10.595 -4.669 3.305 1.00 22.97 C ATOM 1585 CD GLU A 98 11.799 -5.360 3.916 1.00 30.84 C ATOM 1586 OE1 GLU A 98 11.715 -5.754 5.102 1.00 32.40 O ATOM 1587 OE2 GLU A 98 12.815 -5.529 3.210 1.00 34.11 O ATOM 1588 HA GLU A 98 8.111 -4.775 2.162 1.00 0.00 H ATOM 1589 HB2 GLU A 98 9.271 -4.894 4.950 1.00 0.00 H ATOM 1590 HB3 GLU A 98 9.300 -6.270 3.823 1.00 0.00 H ATOM 1591 HG2 GLU A 98 10.590 -4.851 2.230 1.00 0.00 H ATOM 1592 HG3 GLU A 98 10.670 -3.597 3.490 1.00 0.00 H ATOM 1593 H GLU A 98 7.346 -3.027 4.485 1.00 0.00 H ATOM 1594 N LEU A 99 6.330 -6.367 2.977 1.00 12.05 N ATOM 1595 CA LEU A 99 5.344 -7.300 3.478 1.00 13.52 C ATOM 1596 C LEU A 99 5.424 -8.615 2.748 1.00 12.50 C ATOM 1597 O LEU A 99 6.008 -8.727 1.663 1.00 14.99 O ATOM 1598 CB LEU A 99 3.933 -6.721 3.380 1.00 17.06 C ATOM 1599 CG LEU A 99 3.331 -6.422 2.009 1.00 16.45 C ATOM 1600 CD1 LEU A 99 2.712 -7.662 1.338 1.00 16.63 C ATOM 1601 CD2 LEU A 99 2.290 -5.311 2.128 1.00 19.63 C ATOM 1602 HA LEU A 99 5.566 -7.477 4.530 1.00 0.00 H ATOM 1603 HB2 LEU A 99 3.266 -7.429 3.871 1.00 0.00 H ATOM 1604 HB3 LEU A 99 3.937 -5.783 3.935 1.00 0.00 H ATOM 1605 HG LEU A 99 4.150 -6.097 1.367 1.00 0.00 H ATOM 1606 HD21 LEU A 99 1.498 -5.628 2.807 1.00 0.00 H ATOM 1607 HD22 LEU A 99 2.765 -4.410 2.517 1.00 0.00 H ATOM 1608 HD23 LEU A 99 1.866 -5.105 1.145 1.00 0.00 H ATOM 1609 HD11 LEU A 99 3.481 -8.422 1.203 1.00 0.00 H ATOM 1610 HD12 LEU A 99 1.916 -8.056 1.970 1.00 0.00 H ATOM 1611 HD13 LEU A 99 2.302 -7.382 0.368 1.00 0.00 H ATOM 1612 H LEU A 99 6.617 -6.398 1.978 1.00 0.00 H ATOM 1613 N GLU A 100 4.811 -9.613 3.356 1.00 11.67 N ATOM 1614 CA GLU A 100 4.729 -10.912 2.717 1.00 13.07 C ATOM 1615 C GLU A 100 3.288 -11.377 2.722 1.00 12.63 C ATOM 1616 O GLU A 100 2.554 -11.208 3.690 1.00 14.25 O ATOM 1617 CB GLU A 100 5.651 -11.936 3.383 1.00 17.32 C ATOM 1618 CG GLU A 100 5.271 -12.305 4.801 1.00 20.29 C ATOM 1619 CD GLU A 100 6.232 -13.300 5.419 1.00 25.03 C ATOM 1620 OE1 GLU A 100 6.190 -13.469 6.658 1.00 24.30 O ATOM 1621 OE2 GLU A 100 7.036 -13.899 4.672 1.00 28.78 O ATOM 1622 HA GLU A 100 5.072 -10.818 1.687 1.00 0.00 H ATOM 1623 HB2 GLU A 100 5.640 -12.845 2.781 1.00 0.00 H ATOM 1624 HB3 GLU A 100 6.660 -11.524 3.398 1.00 0.00 H ATOM 1625 HG2 GLU A 100 5.266 -11.400 5.409 1.00 0.00 H ATOM 1626 HG3 GLU A 100 4.272 -12.742 4.793 1.00 0.00 H ATOM 1627 H GLU A 100 4.386 -9.468 4.294 1.00 0.00 H ATOM 1628 N VAL A 101 2.864 -11.922 1.592 1.00 10.86 N ATOM 1629 CA VAL A 101 1.517 -12.456 1.497 1.00 10.09 C ATOM 1630 C VAL A 101 1.551 -13.878 2.035 1.00 13.54 C ATOM 1631 O VAL A 101 2.234 -14.743 1.476 1.00 17.52 O ATOM 1632 CB VAL A 101 0.995 -12.422 0.050 1.00 11.47 C ATOM 1633 CG1 VAL A 101 -0.391 -13.059 -0.018 1.00 15.47 C ATOM 1634 CG2 VAL A 101 0.948 -10.982 -0.461 1.00 14.55 C ATOM 1635 HA VAL A 101 0.831 -11.844 2.082 1.00 0.00 H ATOM 1636 HB VAL A 101 1.673 -12.991 -0.586 1.00 0.00 H ATOM 1637 HG11 VAL A 101 -0.331 -14.094 0.319 1.00 0.00 H ATOM 1638 HG12 VAL A 101 -1.076 -12.506 0.625 1.00 0.00 H ATOM 1639 HG13 VAL A 101 -0.753 -13.030 -1.046 1.00 0.00 H ATOM 1640 HG21 VAL A 101 0.283 -10.395 0.172 1.00 0.00 H ATOM 1641 HG22 VAL A 101 1.950 -10.555 -0.433 1.00 0.00 H ATOM 1642 HG23 VAL A 101 0.577 -10.973 -1.486 1.00 0.00 H ATOM 1643 H VAL A 101 3.498 -11.968 0.769 1.00 0.00 H ATOM 1644 N LEU A 102 0.855 -14.111 3.146 1.00 11.72 N ATOM 1645 CA LEU A 102 0.819 -15.439 3.749 1.00 9.85 C ATOM 1646 C LEU A 102 -0.245 -16.324 3.115 1.00 11.05 C ATOM 1647 O LEU A 102 -0.047 -17.531 2.937 1.00 14.78 O ATOM 1648 CB LEU A 102 0.543 -15.329 5.245 1.00 10.40 C ATOM 1649 CG LEU A 102 1.553 -14.531 6.064 1.00 14.48 C ATOM 1650 CD1 LEU A 102 1.117 -14.500 7.513 1.00 14.77 C ATOM 1651 CD2 LEU A 102 2.944 -15.141 5.926 1.00 15.56 C ATOM 1652 HA LEU A 102 1.794 -15.896 3.577 1.00 0.00 H ATOM 1653 HB2 LEU A 102 -0.432 -14.857 5.369 1.00 0.00 H ATOM 1654 HB3 LEU A 102 0.510 -16.340 5.652 1.00 0.00 H ATOM 1655 HG LEU A 102 1.596 -13.508 5.690 1.00 0.00 H ATOM 1656 HD21 LEU A 102 2.926 -16.170 6.286 1.00 0.00 H ATOM 1657 HD22 LEU A 102 3.243 -15.127 4.878 1.00 0.00 H ATOM 1658 HD23 LEU A 102 3.654 -14.561 6.516 1.00 0.00 H ATOM 1659 HD11 LEU A 102 0.137 -14.029 7.586 1.00 0.00 H ATOM 1660 HD12 LEU A 102 1.062 -15.519 7.896 1.00 0.00 H ATOM 1661 HD13 LEU A 102 1.840 -13.930 8.096 1.00 0.00 H ATOM 1662 H LEU A 102 0.328 -13.333 3.592 1.00 0.00 H ATOM 1663 N LYS A 103 -1.383 -15.719 2.793 1.00 11.13 N ATOM 1664 CA LYS A 103 -2.473 -16.436 2.141 1.00 10.95 C ATOM 1665 C LYS A 103 -3.072 -15.559 1.059 1.00 10.69 C ATOM 1666 O LYS A 103 -3.427 -14.408 1.313 1.00 12.20 O ATOM 1667 CB LYS A 103 -3.558 -16.810 3.152 1.00 19.02 C ATOM 1668 CG LYS A 103 -3.155 -17.862 4.175 1.00 23.83 C ATOM 1669 CD LYS A 103 -4.383 -18.466 4.858 1.00 28.68 C ATOM 1670 CE LYS A 103 -4.031 -19.738 5.619 1.00 34.11 C ATOM 1671 NZ LYS A 103 -5.234 -20.577 5.857 1.00 35.97 N ATOM 1672 HA LYS A 103 -2.077 -17.352 1.703 1.00 0.00 H ATOM 1673 HB2 LYS A 103 -3.843 -15.907 3.691 1.00 0.00 H ATOM 1674 HB3 LYS A 103 -4.418 -17.188 2.600 1.00 0.00 H ATOM 1675 HG2 LYS A 103 -2.602 -18.655 3.672 1.00 0.00 H ATOM 1676 HG3 LYS A 103 -2.519 -17.400 4.930 1.00 0.00 H ATOM 1677 HD2 LYS A 103 -4.794 -17.737 5.557 1.00 0.00 H ATOM 1678 HD3 LYS A 103 -5.130 -18.702 4.100 1.00 0.00 H ATOM 1679 HE2 LYS A 103 -3.591 -19.467 6.579 1.00 0.00 H ATOM 1680 HE3 LYS A 103 -3.308 -20.311 5.038 1.00 0.00 H ATOM 1681 HZ1 LYS A 103 -5.926 -20.038 6.416 1.00 0.00 H ATOM 1682 HZ2 LYS A 103 -5.655 -20.843 4.944 1.00 0.00 H ATOM 1683 HZ3 LYS A 103 -4.960 -21.435 6.377 1.00 0.00 H ATOM 1684 H LYS A 103 -1.500 -14.709 3.011 1.00 0.00 H ATOM 1685 N SER A 104 -3.172 -16.097 -0.150 1.00 12.88 N ATOM 1686 CA SER A 104 -3.738 -15.345 -1.261 1.00 12.64 C ATOM 1687 C SER A 104 -5.218 -15.082 -1.029 1.00 12.33 C ATOM 1688 O SER A 104 -5.862 -15.764 -0.232 1.00 13.47 O ATOM 1689 CB SER A 104 -3.590 -16.123 -2.552 1.00 15.31 C ATOM 1690 OG SER A 104 -4.447 -17.250 -2.532 1.00 23.02 O ATOM 1691 HA SER A 104 -3.201 -14.399 -1.331 1.00 0.00 H ATOM 1692 HB2 SER A 104 -2.557 -16.455 -2.659 1.00 0.00 H ATOM 1693 HB3 SER A 104 -3.853 -15.482 -3.394 1.00 0.00 H ATOM 1694 HG SER A 104 -4.207 -17.832 -1.768 1.00 0.00 H ATOM 1695 H SER A 104 -2.841 -17.070 -0.306 1.00 0.00 H ATOM 1696 N ALA A 105 -5.753 -14.089 -1.734 1.00 13.14 N ATOM 1697 CA ALA A 105 -7.163 -13.736 -1.612 1.00 11.75 C ATOM 1698 C ALA A 105 -8.045 -14.942 -1.914 1.00 12.62 C ATOM 1699 O ALA A 105 -9.042 -15.170 -1.226 1.00 13.62 O ATOM 1700 CB ALA A 105 -7.496 -12.582 -2.543 1.00 13.18 C ATOM 1701 HA ALA A 105 -7.357 -13.422 -0.586 1.00 0.00 H ATOM 1702 HB1 ALA A 105 -6.887 -11.717 -2.280 1.00 0.00 H ATOM 1703 HB2 ALA A 105 -7.288 -12.875 -3.572 1.00 0.00 H ATOM 1704 HB3 ALA A 105 -8.551 -12.328 -2.442 1.00 0.00 H ATOM 1705 H ALA A 105 -5.151 -13.551 -2.389 1.00 0.00 H ATOM 1706 N GLU A 106 -7.666 -15.715 -2.928 1.00 14.06 N ATOM 1707 CA GLU A 106 -8.451 -16.867 -3.349 1.00 15.67 C ATOM 1708 C GLU A 106 -8.460 -17.977 -2.284 1.00 15.08 C ATOM 1709 O GLU A 106 -9.379 -18.799 -2.242 1.00 19.14 O ATOM 1710 CB GLU A 106 -7.934 -17.404 -4.695 1.00 19.07 C ATOM 1711 CG GLU A 106 -8.001 -16.393 -5.848 1.00 21.06 C ATOM 1712 CD GLU A 106 -6.938 -15.298 -5.781 1.00 22.77 C ATOM 1713 OE1 GLU A 106 -5.929 -15.467 -5.066 1.00 23.02 O ATOM 1714 OE2 GLU A 106 -7.116 -14.259 -6.451 1.00 25.11 O ATOM 1715 HA GLU A 106 -9.482 -16.536 -3.475 1.00 0.00 H ATOM 1716 HB2 GLU A 106 -6.895 -17.706 -4.566 1.00 0.00 H ATOM 1717 HB3 GLU A 106 -8.532 -18.273 -4.968 1.00 0.00 H ATOM 1718 HG2 GLU A 106 -7.876 -16.934 -6.786 1.00 0.00 H ATOM 1719 HG3 GLU A 106 -8.982 -15.919 -5.831 1.00 0.00 H ATOM 1720 H GLU A 106 -6.785 -15.491 -3.434 1.00 0.00 H ATOM 1721 N ALA A 107 -7.433 -18.002 -1.437 1.00 12.47 N ATOM 1722 CA ALA A 107 -7.318 -19.005 -0.376 1.00 16.47 C ATOM 1723 C ALA A 107 -8.033 -18.607 0.917 1.00 17.81 C ATOM 1724 O ALA A 107 -8.252 -19.443 1.795 1.00 22.05 O ATOM 1725 CB ALA A 107 -5.857 -19.305 -0.095 1.00 20.66 C ATOM 1726 HA ALA A 107 -7.818 -19.901 -0.743 1.00 0.00 H ATOM 1727 HB1 ALA A 107 -5.385 -19.687 -1.000 1.00 0.00 H ATOM 1728 HB2 ALA A 107 -5.354 -18.391 0.221 1.00 0.00 H ATOM 1729 HB3 ALA A 107 -5.786 -20.052 0.696 1.00 0.00 H ATOM 1730 H ALA A 107 -6.686 -17.284 -1.532 1.00 0.00 H ATOM 1731 N VAL A 108 -8.385 -17.332 1.040 1.00 11.61 N ATOM 1732 CA VAL A 108 -9.073 -16.838 2.230 1.00 11.21 C ATOM 1733 C VAL A 108 -10.538 -16.607 1.882 1.00 13.97 C ATOM 1734 O VAL A 108 -11.431 -17.218 2.466 1.00 18.16 O ATOM 1735 CB VAL A 108 -8.442 -15.525 2.734 1.00 11.49 C ATOM 1736 CG1 VAL A 108 -9.114 -15.077 4.024 1.00 10.54 C ATOM 1737 CG2 VAL A 108 -6.944 -15.722 2.966 1.00 14.56 C ATOM 1738 HA VAL A 108 -8.983 -17.577 3.026 1.00 0.00 H ATOM 1739 HB VAL A 108 -8.587 -14.753 1.978 1.00 0.00 H ATOM 1740 HG11 VAL A 108 -10.176 -14.915 3.841 1.00 0.00 H ATOM 1741 HG12 VAL A 108 -8.988 -15.848 4.784 1.00 0.00 H ATOM 1742 HG13 VAL A 108 -8.657 -14.149 4.367 1.00 0.00 H ATOM 1743 HG21 VAL A 108 -6.793 -16.503 3.711 1.00 0.00 H ATOM 1744 HG22 VAL A 108 -6.468 -16.014 2.030 1.00 0.00 H ATOM 1745 HG23 VAL A 108 -6.507 -14.789 3.322 1.00 0.00 H ATOM 1746 H VAL A 108 -8.165 -16.669 0.270 1.00 0.00 H ATOM 1747 N GLY A 109 -10.783 -15.704 0.940 1.00 12.52 N ATOM 1748 CA GLY A 109 -12.075 -15.640 0.276 1.00 15.69 C ATOM 1749 C GLY A 109 -13.160 -14.799 0.913 1.00 13.14 C ATOM 1750 O GLY A 109 -14.187 -14.545 0.279 1.00 13.76 O ATOM 1751 HA3 GLY A 109 -12.454 -16.659 0.205 1.00 0.00 H ATOM 1752 HA2 GLY A 109 -11.906 -15.246 -0.726 1.00 0.00 H ATOM 1753 H GLY A 109 -10.037 -15.030 0.672 1.00 0.00 H ATOM 1754 N VAL A 110 -12.950 -14.376 2.157 1.00 12.84 N ATOM 1755 CA VAL A 110 -13.941 -13.575 2.865 1.00 13.04 C ATOM 1756 C VAL A 110 -13.230 -12.604 3.789 1.00 12.53 C ATOM 1757 O VAL A 110 -12.080 -12.840 4.167 1.00 12.22 O ATOM 1758 CB VAL A 110 -14.859 -14.460 3.745 1.00 14.87 C ATOM 1759 CG1 VAL A 110 -15.680 -15.428 2.910 1.00 19.54 C ATOM 1760 CG2 VAL A 110 -14.033 -15.209 4.774 1.00 16.69 C ATOM 1761 HA VAL A 110 -14.542 -13.056 2.118 1.00 0.00 H ATOM 1762 HB VAL A 110 -15.559 -13.803 4.261 1.00 0.00 H ATOM 1763 HG11 VAL A 110 -16.307 -14.867 2.217 1.00 0.00 H ATOM 1764 HG12 VAL A 110 -15.011 -16.080 2.349 1.00 0.00 H ATOM 1765 HG13 VAL A 110 -16.309 -16.029 3.567 1.00 0.00 H ATOM 1766 HG21 VAL A 110 -13.307 -15.843 4.264 1.00 0.00 H ATOM 1767 HG22 VAL A 110 -13.510 -14.494 5.409 1.00 0.00 H ATOM 1768 HG23 VAL A 110 -14.690 -15.827 5.386 1.00 0.00 H ATOM 1769 H VAL A 110 -12.060 -14.622 2.635 1.00 0.00 H ATOM 1770 N LYS A 111 -13.917 -11.517 4.144 1.00 12.21 N ATOM 1771 CA LYS A 111 -13.476 -10.657 5.237 1.00 11.69 C ATOM 1772 C LYS A 111 -13.616 -11.431 6.546 1.00 12.26 C ATOM 1773 O LYS A 111 -14.692 -11.922 6.886 1.00 16.89 O ATOM 1774 CB LYS A 111 -14.318 -9.374 5.300 1.00 13.99 C ATOM 1775 CG LYS A 111 -14.038 -8.536 6.556 1.00 17.49 C ATOM 1776 CD LYS A 111 -14.735 -7.177 6.532 1.00 20.83 C ATOM 1777 CE LYS A 111 -16.221 -7.303 6.793 1.00 25.25 C ATOM 1778 NZ LYS A 111 -16.861 -5.967 6.979 1.00 26.33 N ATOM 1779 HA LYS A 111 -12.438 -10.369 5.073 1.00 0.00 H ATOM 1780 HB2 LYS A 111 -14.096 -8.769 4.421 1.00 0.00 H ATOM 1781 HB3 LYS A 111 -15.373 -9.649 5.293 1.00 0.00 H ATOM 1782 HG2 LYS A 111 -14.385 -9.090 7.428 1.00 0.00 H ATOM 1783 HG3 LYS A 111 -12.963 -8.374 6.634 1.00 0.00 H ATOM 1784 HD2 LYS A 111 -14.294 -6.540 7.299 1.00 0.00 H ATOM 1785 HD3 LYS A 111 -14.586 -6.721 5.553 1.00 0.00 H ATOM 1786 HE2 LYS A 111 -16.373 -7.897 7.694 1.00 0.00 H ATOM 1787 HE3 LYS A 111 -16.688 -7.805 5.945 1.00 0.00 H ATOM 1788 HZ1 LYS A 111 -16.424 -5.485 7.790 1.00 0.00 H ATOM 1789 HZ2 LYS A 111 -16.725 -5.396 6.120 1.00 0.00 H ATOM 1790 HZ3 LYS A 111 -17.878 -6.093 7.156 1.00 0.00 H ATOM 1791 H LYS A 111 -14.788 -11.277 3.629 1.00 0.00 H ATOM 1792 N ILE A 112 -12.518 -11.525 7.274 1.00 9.27 N ATOM 1793 CA ILE A 112 -12.466 -12.281 8.518 1.00 9.69 C ATOM 1794 C ILE A 112 -13.033 -11.470 9.677 1.00 12.28 C ATOM 1795 O ILE A 112 -12.695 -10.291 9.860 1.00 12.20 O ATOM 1796 CB ILE A 112 -11.021 -12.670 8.819 1.00 7.97 C ATOM 1797 CG1 ILE A 112 -10.509 -13.674 7.779 1.00 10.20 C ATOM 1798 CG2 ILE A 112 -10.883 -13.251 10.214 1.00 11.77 C ATOM 1799 CD1 ILE A 112 -8.996 -13.782 7.753 1.00 13.60 C ATOM 1800 HA ILE A 112 -13.073 -13.179 8.401 1.00 0.00 H ATOM 1801 HB ILE A 112 -10.417 -11.764 8.768 1.00 0.00 H ATOM 1802 HG12 ILE A 112 -10.924 -14.655 8.010 1.00 0.00 H ATOM 1803 HG13 ILE A 112 -10.852 -13.359 6.794 1.00 0.00 H ATOM 1804 HD11 ILE A 112 -8.568 -12.809 7.513 1.00 0.00 H ATOM 1805 HD12 ILE A 112 -8.639 -14.106 8.731 1.00 0.00 H ATOM 1806 HD13 ILE A 112 -8.698 -14.508 6.997 1.00 0.00 H ATOM 1807 HG21 ILE A 112 -11.203 -12.511 10.948 1.00 0.00 H ATOM 1808 HG22 ILE A 112 -11.506 -14.141 10.299 1.00 0.00 H ATOM 1809 HG23 ILE A 112 -9.841 -13.517 10.394 1.00 0.00 H ATOM 1810 H ILE A 112 -11.658 -11.041 6.947 1.00 0.00 H ATOM 1811 N GLY A 113 -13.897 -12.100 10.464 1.00 14.57 N ATOM 1812 CA GLY A 113 -14.471 -11.455 11.634 1.00 14.82 C ATOM 1813 C GLY A 113 -15.392 -10.302 11.286 1.00 15.48 C ATOM 1814 O GLY A 113 -15.894 -10.204 10.162 1.00 16.54 O ATOM 1815 HA3 GLY A 113 -13.659 -11.076 12.255 1.00 0.00 H ATOM 1816 HA2 GLY A 113 -15.040 -12.196 12.195 1.00 0.00 H ATOM 1817 H GLY A 113 -14.170 -13.078 10.238 1.00 0.00 H ATOM 1818 N ASN A 114 -15.610 -9.429 12.264 1.00 16.35 N ATOM 1819 CA ASN A 114 -16.435 -8.243 12.088 1.00 15.85 C ATOM 1820 C ASN A 114 -15.711 -7.028 12.653 1.00 14.51 C ATOM 1821 O ASN A 114 -16.145 -6.453 13.654 1.00 17.60 O ATOM 1822 CB ASN A 114 -17.771 -8.432 12.804 1.00 21.32 C ATOM 1823 CG ASN A 114 -18.805 -7.387 12.412 1.00 24.79 C ATOM 1824 OD1 ASN A 114 -18.683 -6.728 11.379 1.00 26.86 O ATOM 1825 ND2 ASN A 114 -19.836 -7.240 13.236 1.00 27.86 N ATOM 1826 HA ASN A 114 -16.620 -8.087 11.025 1.00 0.00 H ATOM 1827 HB2 ASN A 114 -18.162 -9.419 12.557 1.00 0.00 H ATOM 1828 HB3 ASN A 114 -17.602 -8.369 13.879 1.00 0.00 H ATOM 1829 HD22 ASN A 114 -19.899 -7.818 14.098 1.00 0.00 H ATOM 1830 HD21 ASN A 114 -20.580 -6.547 13.019 1.00 0.00 H ATOM 1831 H ASN A 114 -15.174 -9.600 13.192 1.00 0.00 H ATOM 1832 N PRO A 115 -14.595 -6.638 12.016 1.00 12.80 N ATOM 1833 CA PRO A 115 -13.823 -5.491 12.506 1.00 11.66 C ATOM 1834 C PRO A 115 -14.587 -4.169 12.361 1.00 14.76 C ATOM 1835 O PRO A 115 -15.367 -4.002 11.415 1.00 19.25 O ATOM 1836 CB PRO A 115 -12.583 -5.496 11.611 1.00 10.70 C ATOM 1837 CG PRO A 115 -13.032 -6.173 10.325 1.00 11.42 C ATOM 1838 CD PRO A 115 -14.011 -7.222 10.788 1.00 12.60 C ATOM 1839 HA PRO A 115 -13.599 -5.572 13.570 1.00 0.00 H ATOM 1840 HD3 PRO A 115 -14.780 -7.395 10.036 1.00 0.00 H ATOM 1841 HD2 PRO A 115 -13.501 -8.160 11.008 1.00 0.00 H ATOM 1842 HG3 PRO A 115 -12.186 -6.631 9.812 1.00 0.00 H ATOM 1843 HG2 PRO A 115 -13.515 -5.458 9.659 1.00 0.00 H ATOM 1844 HB2 PRO A 115 -12.249 -4.478 11.412 1.00 0.00 H ATOM 1845 HB3 PRO A 115 -11.774 -6.058 12.079 1.00 0.00 H ATOM 1846 N VAL A 116 -14.369 -3.247 13.294 1.00 13.84 N ATOM 1847 CA VAL A 116 -14.994 -1.926 13.230 1.00 16.12 C ATOM 1848 C VAL A 116 -13.945 -0.852 12.959 1.00 13.77 C ATOM 1849 O VAL A 116 -12.782 -1.006 13.331 1.00 12.97 O ATOM 1850 CB VAL A 116 -15.772 -1.591 14.522 1.00 21.05 C ATOM 1851 CG1 VAL A 116 -16.936 -2.546 14.705 1.00 23.57 C ATOM 1852 CG2 VAL A 116 -14.851 -1.645 15.722 1.00 21.17 C ATOM 1853 HA VAL A 116 -15.709 -1.947 12.408 1.00 0.00 H ATOM 1854 HB VAL A 116 -16.167 -0.579 14.434 1.00 0.00 H ATOM 1855 HG11 VAL A 116 -17.611 -2.462 13.853 1.00 0.00 H ATOM 1856 HG12 VAL A 116 -16.560 -3.567 14.773 1.00 0.00 H ATOM 1857 HG13 VAL A 116 -17.471 -2.293 15.620 1.00 0.00 H ATOM 1858 HG21 VAL A 116 -14.430 -2.646 15.810 1.00 0.00 H ATOM 1859 HG22 VAL A 116 -14.046 -0.921 15.594 1.00 0.00 H ATOM 1860 HG23 VAL A 116 -15.416 -1.406 16.623 1.00 0.00 H ATOM 1861 H VAL A 116 -13.738 -3.471 14.090 1.00 0.00 H ATOM 1862 N PRO A 117 -14.348 0.244 12.297 1.00 17.14 N ATOM 1863 CA PRO A 117 -13.361 1.286 11.989 1.00 15.92 C ATOM 1864 C PRO A 117 -12.671 1.841 13.225 1.00 17.35 C ATOM 1865 O PRO A 117 -13.337 2.164 14.216 1.00 18.19 O ATOM 1866 CB PRO A 117 -14.212 2.388 11.351 1.00 19.68 C ATOM 1867 CG PRO A 117 -15.342 1.652 10.727 1.00 20.58 C ATOM 1868 CD PRO A 117 -15.652 0.520 11.669 1.00 22.00 C ATOM 1869 HA PRO A 117 -12.559 0.898 11.361 1.00 0.00 H ATOM 1870 HD3 PRO A 117 -16.390 0.820 12.413 1.00 0.00 H ATOM 1871 HD2 PRO A 117 -16.018 -0.352 11.127 1.00 0.00 H ATOM 1872 HG3 PRO A 117 -15.053 1.266 9.749 1.00 0.00 H ATOM 1873 HG2 PRO A 117 -16.208 2.305 10.617 1.00 0.00 H ATOM 1874 HB2 PRO A 117 -14.573 3.086 12.107 1.00 0.00 H ATOM 1875 HB3 PRO A 117 -13.641 2.933 10.599 1.00 0.00 H ATOM 1876 N TYR A 118 -11.346 1.952 13.162 1.00 15.08 N ATOM 1877 CA TYR A 118 -10.591 2.599 14.225 1.00 19.79 C ATOM 1878 C TYR A 118 -10.903 4.088 14.207 1.00 26.14 C ATOM 1879 O TYR A 118 -10.940 4.708 13.144 1.00 29.83 O ATOM 1880 CB TYR A 118 -9.088 2.372 14.026 1.00 17.66 C ATOM 1881 CG TYR A 118 -8.261 2.861 15.190 1.00 18.98 C ATOM 1882 CD1 TYR A 118 -8.223 2.144 16.380 1.00 19.11 C ATOM 1883 CD2 TYR A 118 -7.521 4.033 15.105 1.00 23.58 C ATOM 1884 CE1 TYR A 118 -7.477 2.581 17.452 1.00 23.71 C ATOM 1885 CE2 TYR A 118 -6.765 4.476 16.182 1.00 26.25 C ATOM 1886 CZ TYR A 118 -6.748 3.745 17.346 1.00 27.77 C ATOM 1887 OH TYR A 118 -6.004 4.183 18.413 1.00 34.02 O ATOM 1888 HA TYR A 118 -10.874 2.173 15.187 1.00 0.00 H ATOM 1889 HB3 TYR A 118 -8.772 2.902 13.127 1.00 0.00 H ATOM 1890 HB2 TYR A 118 -8.911 1.304 13.898 1.00 0.00 H ATOM 1891 HD2 TYR A 118 -7.534 4.612 14.182 1.00 0.00 H ATOM 1892 HE2 TYR A 118 -6.188 5.398 16.105 1.00 0.00 H ATOM 1893 HE1 TYR A 118 -7.463 2.009 18.380 1.00 0.00 H ATOM 1894 HD1 TYR A 118 -8.794 1.219 16.466 1.00 0.00 H ATOM 1895 HH TYR A 118 -6.101 3.546 19.165 1.00 0.00 H ATOM 1896 H TYR A 118 -10.841 1.569 12.338 1.00 0.00 H ATOM 1897 N ASN A 119 -11.148 4.657 15.382 1.00 30.53 N ATOM 1898 CA ASN A 119 -11.408 6.084 15.482 1.00 39.00 C ATOM 1899 C ASN A 119 -10.149 6.814 15.940 1.00 43.22 C ATOM 1900 O ASN A 119 -9.706 6.636 17.079 1.00 45.10 O ATOM 1901 CB ASN A 119 -12.588 6.352 16.423 1.00 43.43 C ATOM 1902 CG ASN A 119 -13.905 5.796 15.885 1.00 45.05 C ATOM 1903 OD1 ASN A 119 -14.205 5.911 14.695 1.00 46.63 O ATOM 1904 ND2 ASN A 119 -14.694 5.189 16.766 1.00 45.62 N ATOM 1905 HA ASN A 119 -11.681 6.466 14.498 1.00 0.00 H ATOM 1906 HB2 ASN A 119 -12.380 5.887 17.386 1.00 0.00 H ATOM 1907 HB3 ASN A 119 -12.692 7.429 16.556 1.00 0.00 H ATOM 1908 HD22 ASN A 119 -14.401 5.114 17.761 1.00 0.00 H ATOM 1909 HD21 ASN A 119 -15.604 4.789 16.460 1.00 0.00 H ATOM 1910 H ASN A 119 -11.154 4.073 16.243 1.00 0.00 H ATOM 1911 N GLU A 120 -9.588 7.617 15.033 1.00 46.24 N ATOM 1912 CA GLU A 120 -8.316 8.333 15.217 1.00 48.96 C ATOM 1913 C GLU A 120 -7.101 7.417 15.136 1.00 49.30 C ATOM 1914 O GLU A 120 -6.274 7.542 14.233 1.00 51.32 O ATOM 1915 CB GLU A 120 -8.275 9.141 16.518 1.00 51.04 C ATOM 1916 CG GLU A 120 -9.061 10.426 16.486 1.00 52.95 C ATOM 1917 CD GLU A 120 -8.517 11.443 17.466 1.00 56.10 C ATOM 1918 OE1 GLU A 120 -8.665 11.237 18.689 1.00 57.52 O ATOM 1919 OE2 GLU A 120 -7.922 12.443 17.009 1.00 57.58 O ATOM 1920 HA GLU A 120 -8.266 9.031 14.381 1.00 0.00 H ATOM 1921 HB2 GLU A 120 -8.675 8.518 17.318 1.00 0.00 H ATOM 1922 HB3 GLU A 120 -7.235 9.384 16.734 1.00 0.00 H ATOM 1923 HG2 GLU A 120 -9.013 10.844 15.480 1.00 0.00 H ATOM 1924 HG3 GLU A 120 -10.099 10.211 16.740 1.00 0.00 H ATOM 1925 H GLU A 120 -10.087 7.746 14.130 1.00 0.00 H TER 1926 GLU A 120 HETATM 1927 O HOH 1 -10.926 -8.787 8.628 1.00 11.77 O HETATM 1928 O HOH 2 -5.489 -13.372 17.006 1.00 11.43 O HETATM 1929 O HOH 3 1.923 2.566 -3.821 1.00 13.36 O HETATM 1930 O HOH 4 -6.694 -2.716 16.936 1.00 13.85 O HETATM 1931 O HOH 5 -10.845 -20.255 -0.625 1.00 16.28 O HETATM 1932 O HOH 6 5.997 -10.924 -13.838 1.00 21.58 O HETATM 1933 O HOH 7 -6.646 -19.356 13.699 1.00 20.34 O HETATM 1934 O HOH 8 -11.809 1.870 8.748 1.00 24.49 O HETATM 1935 O HOH 9 -2.253 -18.839 -0.587 1.00 21.82 O HETATM 1936 O HOH 10 -5.068 9.522 12.333 1.00 25.71 O HETATM 1937 O HOH 11 9.498 2.398 -2.897 1.00 35.36 O HETATM 1938 O HOH 12 -3.531 -10.588 19.287 1.00 20.12 O HETATM 1939 O HOH 13 7.710 4.940 12.088 1.00 27.54 O HETATM 1940 O HOH 14 -9.111 -0.771 19.527 1.00 30.36 O HETATM 1941 O HOH 15 8.829 -1.766 11.011 1.00 25.48 O HETATM 1942 O HOH 16 -7.906 -5.965 -4.816 1.00 27.03 O HETATM 1943 O HOH 17 3.912 1.182 -10.475 1.00 27.71 O HETATM 1944 O HOH 18 -12.541 1.175 18.205 1.00 35.17 O HETATM 1945 O HOH 19 -16.976 -5.671 9.775 1.00 23.83 O HETATM 1946 O HOH 20 4.644 -5.750 -12.869 1.00 24.80 O HETATM 1947 O HOH 21 -9.635 -10.356 -4.334 1.00 21.25 O HETATM 1948 O HOH 22 3.629 24.178 5.972 1.00 27.10 O HETATM 1949 O HOH 23 -2.388 17.863 5.935 1.00 31.70 O HETATM 1950 O HOH 24 -13.923 -9.570 14.601 1.00 27.07 O HETATM 1951 O HOH 25 0.425 8.594 19.727 1.00 27.79 O HETATM 1952 O HOH 26 1.032 17.157 5.602 1.00 34.76 O HETATM 1953 O HOH 27 2.561 10.431 19.507 1.00 26.40 O HETATM 1954 O HOH 28 4.262 -3.328 -11.495 1.00 28.66 O HETATM 1955 O HOH 29 -2.652 6.033 -8.862 1.00 30.99 O HETATM 1956 O HOH 30 -4.268 -6.700 -6.902 1.00 26.08 O HETATM 1957 O HOH 31 -6.994 8.766 -0.930 1.00 31.61 O HETATM 1958 O HOH 32 -11.013 4.085 10.418 1.00 29.88 O HETATM 1959 O HOH 33 4.048 -12.245 -10.589 1.00 27.92 O HETATM 1960 O HOH 34 -9.740 -4.016 -3.984 1.00 38.51 O HETATM 1961 O HOH 35 -6.198 12.978 14.450 1.00 35.57 O HETATM 1962 O HOH 36 -8.767 5.283 9.049 1.00 39.03 O HETATM 1963 O HOH 37 -12.945 -7.677 1.454 1.00 31.29 O HETATM 1964 O HOH 38 -15.015 -5.700 16.175 1.00 35.75 O HETATM 1965 O HOH 39 1.544 6.311 15.713 1.00 33.32 O HETATM 1966 O HOH 40 -16.601 -11.053 2.745 1.00 36.57 O HETATM 1967 O HOH 41 11.102 -9.071 9.095 1.00 42.74 O HETATM 1968 O HOH 42 -0.915 -14.073 -3.702 1.00 35.02 O HETATM 1969 O HOH 43 6.362 -16.875 5.619 1.00 56.77 O HETATM 1970 O HOH 44 -4.202 11.390 14.406 1.00 37.17 O HETATM 1971 O HOH 45 -4.182 7.962 -10.590 1.00 37.91 O HETATM 1972 O HOH 46 1.811 -4.167 21.104 1.00 59.86 O HETATM 1973 O HOH 47 -14.397 -10.405 -2.610 1.00 40.23 O HETATM 1974 O HOH 48 -1.029 18.156 3.538 1.00 62.67 O HETATM 1975 O HOH 49 13.001 -4.194 0.622 1.00 34.37 O HETATM 1976 O HOH 50 -12.247 -19.240 0.662 1.00 37.95 O HETATM 1977 O HOH 51 -13.151 -26.126 10.293 1.00 34.53 O HETATM 1978 O HOH 52 4.122 -13.342 -14.166 1.00 33.13 O HETATM 1979 O HOH 53 -5.039 -12.468 -5.710 1.00 49.83 O HETATM 1980 O HOH 54 -12.919 1.591 20.312 1.00 34.80 O HETATM 1981 O HOH 55 -8.425 0.735 21.564 1.00 42.92 O HETATM 1982 O HOH 56 -7.713 -2.759 19.757 1.00 37.07 O HETATM 1983 O HOH 57 4.238 -15.725 9.850 1.00 44.31 O HETATM 1984 O HOH 58 -15.847 2.685 14.657 1.00 33.78 O HETATM 1985 O HOH 59 8.583 -4.188 11.833 1.00 36.31 O HETATM 1986 O HOH 60 -6.339 -5.173 -6.725 1.00 44.08 O HETATM 1987 O HOH 61 -15.166 -7.315 2.938 1.00 43.57 O HETATM 1988 O HOH 62 4.530 11.663 -1.392 1.00 49.12 O HETATM 1989 O HOH 63 3.885 -15.787 -0.088 1.00 36.47 O HETATM 1990 O HOH 64 3.295 9.451 -4.282 1.00 48.15 O HETATM 1991 O HOH 65 11.281 -4.376 -3.057 1.00 66.86 O HETATM 1992 O HOH 66 -0.089 -2.270 -14.740 1.00 55.40 O HETATM 1993 O HOH 67 2.779 -9.621 -15.193 1.00 53.04 O HETATM 1994 O HOH 68 9.355 2.938 11.636 1.00 45.38 O HETATM 1995 O HOH 69 -13.396 3.161 6.324 1.00 59.81 O HETATM 1996 O HOH 70 -2.203 -4.792 -13.648 1.00 38.27 O HETATM 1997 O HOH 71 2.012 10.922 -3.106 1.00 45.06 O HETATM 1998 O HOH 72 -5.760 -7.473 -14.441 1.00 60.67 O HETATM 1999 O HOH 73 6.473 12.779 0.227 1.00 55.07 O HETATM 2000 O HOH 74 -13.881 5.549 11.866 1.00 59.77 O HETATM 2001 O HOH 75 -7.900 -10.513 21.623 1.00 48.41 O HETATM 2002 O HOH 76 -15.022 -1.857 9.397 1.00 37.29 O HETATM 2003 O HOH 77 -9.492 -12.498 -6.174 1.00 43.08 O HETATM 2004 O HOH 78 8.339 -0.459 18.699 1.00 46.42 O HETATM 2005 O HOH 79 -6.287 -12.101 21.340 1.00 55.13 O HETATM 2006 O HOH 80 -3.688 20.100 5.498 1.00 46.83 O HETATM 2007 O HOH 81 4.644 21.936 3.032 1.00 58.37 O HETATM 2008 O HOH 82 -8.754 1.476 0.002 1.00 28.27 O HETATM 2009 O HOH 83 -16.697 -11.910 8.476 1.00 24.68 O HETATM 2010 O HOH 84 -18.725 -2.713 11.700 1.00 61.12 O HETATM 2011 O HOH 85 -15.908 5.805 10.233 1.00 50.51 O HETATM 2012 O HOH 86 -5.533 8.607 9.382 1.00 30.77 O HETATM 2013 O HOH 87 -10.438 10.437 3.910 1.00 35.77 O HETATM 2014 O HOH 88 -9.867 -20.724 6.187 1.00 44.53 O HETATM 2015 O HOH 89 -9.293 -24.692 7.001 1.00 45.68 O HETATM 2016 O HOH 90 -8.216 10.324 -3.907 1.00 38.05 O HETATM 2017 O HOH 91 -1.724 7.342 -7.061 1.00 32.67 O HETATM 2018 O HOH 92 -11.622 -15.225 20.712 1.00 22.97 O HETATM 2019 O HOH 93 -10.104 -16.271 21.493 1.00 16.63 O HETATM 2020 C01 UNN A 94 -4.601 11.319 -1.949 1.00 -0.00 C HETATM 2021 C02 UNN A 94 -3.307 11.689 -1.747 1.00 -0.04 C HETATM 2022 C03 UNN A 94 -3.057 11.326 -0.390 1.00 0.10 C HETATM 2023 N04 UNN A 94 -4.149 10.821 0.082 1.00 -0.16 N HETATM 2024 N05 UNN A 94 -5.053 10.807 -0.821 1.00 -0.21 N HETATM 2025 C06 UNN A 94 -4.381 10.320 1.416 1.00 0.11 C HETATM 2026 C08 UNN A 94 -5.112 11.109 2.348 1.00 -0.02 C HETATM 2027 C09 UNN A 94 -5.355 10.653 3.607 1.00 -0.05 C HETATM 2028 C10 UNN A 94 -4.875 9.385 3.987 1.00 0.05 C HETATM 2029 C11 UNN A 94 -4.139 8.583 3.047 1.00 0.05 C HETATM 2030 C12 UNN A 94 -3.899 9.027 1.804 1.00 -0.01 C HETATM 2031 H5 UNN A 94 -3.346 8.415 1.101 1.00 0.06 H HETATM 2032 CL1 UNN A 94 -3.548 6.979 3.575 1.00 -0.07 CL HETATM 2033 CL2 UNN A 94 -5.163 8.773 5.563 1.00 -0.08 CL HETATM 2034 H4 UNN A 94 -5.913 11.260 4.311 1.00 0.06 H HETATM 2035 H3 UNN A 94 -5.480 12.085 2.051 1.00 0.06 H HETATM 2036 C07 UNN A 94 -1.746 11.557 0.343 1.00 0.01 C HETATM 2037 C15 UNN A 94 -0.539 11.201 -0.226 1.00 -0.06 C HETATM 2038 C16 UNN A 94 0.649 11.437 0.458 1.00 -0.06 C HETATM 2039 C17 UNN A 94 0.612 12.040 1.721 1.00 -0.02 C HETATM 2040 C18 UNN A 94 -0.612 12.414 2.299 1.00 -0.06 C HETATM 2041 C19 UNN A 94 -1.777 12.181 1.620 1.00 -0.06 C HETATM 2042 H9 UNN A 94 -2.725 12.473 2.057 1.00 0.06 H HETATM 2043 H8 UNN A 94 -0.634 12.884 3.276 1.00 0.06 H HETATM 2044 C20 UNN A 94 1.952 12.332 2.521 1.00 0.07 C HETATM 2045 N21 UNN A 94 3.048 11.606 1.917 1.00 -0.29 N HETATM 2046 C22 UNN A 94 3.636 10.740 2.926 1.00 0.08 C HETATM 2047 C23 UNN A 94 4.714 9.762 2.519 1.00 0.04 C HETATM 2048 C24 UNN A 94 6.024 9.881 3.110 1.00 -0.05 C HETATM 2049 C25 UNN A 94 7.001 8.997 2.755 1.00 -0.05 C HETATM 2050 C26 UNN A 94 6.682 7.999 1.824 1.00 0.02 C HETATM 2051 C27 UNN A 94 5.364 7.888 1.228 1.00 -0.03 C HETATM 2052 C28 UNN A 94 4.403 8.745 1.569 1.00 0.06 C HETATM 2053 CL3 UNN A 94 2.898 8.585 0.868 1.00 -0.06 CL HETATM 2054 H15 UNN A 94 5.161 7.107 0.504 1.00 0.06 H HETATM 2055 C30 UNN A 94 7.682 6.962 1.337 1.00 0.13 C HETATM 2056 C31 UNN A 94 8.862 6.479 1.920 1.00 -0.05 C HETATM 2057 C32 UNN A 94 9.366 5.490 0.971 1.00 -0.04 C HETATM 2058 C33 UNN A 94 8.411 5.487 -0.082 1.00 0.15 C HETATM 2059 O34 UNN A 94 7.469 6.341 0.174 1.00 -0.25 O HETATM 2060 C35 UNN A 94 8.391 4.686 -1.332 1.00 0.09 C HETATM 2061 O36 UNN A 94 9.257 3.837 -1.551 1.00 -0.56 O HETATM 2062 O37 UNN A 94 7.451 4.920 -2.160 1.00 -0.56 O HETATM 2063 H17 UNN A 94 10.271 4.889 1.052 1.00 0.04 H HETATM 2064 H16 UNN A 94 9.305 6.776 2.870 1.00 0.04 H HETATM 2065 H14 UNN A 94 7.995 9.065 3.181 1.00 0.06 H HETATM 2066 H13 UNN A 94 6.231 10.665 3.829 1.00 0.07 H HETATM 2067 S29 UNN A 94 2.965 10.526 4.432 1.00 -0.26 S HETATM 2068 H12 UNN A 94 3.350 11.686 0.967 1.00 0.20 H HETATM 2069 H10 UNN A 94 1.832 12.010 3.566 1.00 0.07 H HETATM 2070 H11 UNN A 94 2.168 13.410 2.492 1.00 0.07 H HETATM 2071 H7 UNN A 94 1.598 11.156 0.016 1.00 0.06 H HETATM 2072 H6 UNN A 94 -0.517 10.738 -1.206 1.00 0.06 H HETATM 2073 H2 UNN A 94 -2.623 12.153 -2.455 1.00 0.04 H HETATM 2074 H1 UNN A 94 -5.162 11.427 -2.876 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2020 2021 2024 2074 CONECT 2021 2020 2022 2073 CONECT 2022 2021 2023 2036 CONECT 2023 2022 2024 2025 CONECT 2024 2020 2023 CONECT 2025 2023 2026 2030 CONECT 2026 2025 2027 2035 CONECT 2027 2026 2028 2034 CONECT 2028 2027 2029 2033 CONECT 2029 2028 2030 2032 CONECT 2030 2025 2029 2031 CONECT 2031 2030 CONECT 2032 2029 CONECT 2033 2028 CONECT 2034 2027 CONECT 2035 2026 CONECT 2036 2022 2037 2041 CONECT 2037 2036 2038 2072 CONECT 2038 2037 2039 2071 CONECT 2039 2038 2040 2044 CONECT 2040 2039 2041 2043 CONECT 2041 2036 2040 2042 CONECT 2042 2041 CONECT 2043 2040 CONECT 2044 2039 2045 2069 2070 CONECT 2045 2044 2046 2068 CONECT 2046 2045 2047 2067 CONECT 2047 2046 2048 2052 CONECT 2048 2047 2049 2066 CONECT 2049 2048 2050 2065 CONECT 2050 2049 2051 2055 CONECT 2051 2050 2052 2054 CONECT 2052 2047 2051 2053 CONECT 2053 2052 CONECT 2054 2051 CONECT 2055 2050 2056 2059 CONECT 2056 2055 2057 2064 CONECT 2057 2056 2058 2063 CONECT 2058 2057 2059 2060 CONECT 2059 2055 2058 CONECT 2060 2058 2061 2062 CONECT 2061 2060 CONECT 2062 2060 CONECT 2063 2057 CONECT 2064 2056 CONECT 2065 2049 CONECT 2066 2048 CONECT 2067 2046 CONECT 2068 2045 CONECT 2069 2044 CONECT 2070 2044 CONECT 2071 2038 CONECT 2072 2037 CONECT 2073 2021 CONECT 2074 2020 MASTER 0 0 0 0 0 0 0 0 2073 1 59 10 END
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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
4lwc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit
Ligand Name
1XU
EC.Number
E.C.-.-.-.-
Resolution
1.61(Å)
Affinity (Kd/Ki/IC50)
Kd=0.19uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 9242-9250
Ligand Properties
Formula
C
2
8
H
1
8
Cl
3
N
3
O
3
S
Molecular Weight
582.885
Exact Mass
581.013
No. of atoms
56
No. of bonds
60
Polar Surface Area
112.38
LOGP Value
8.18 (
Computed with XLOGP3
)
8.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
OC(=O)c1ccc(o1)c1ccc(c(c1)Cl)C(=S)NCc1ccc(cc1)c1ccnn1c1ccc(c(c1)Cl)Cl
InChI String
InChI=1S/C28H18Cl3N3O3S/c29-21-8-6-19(14-23(21)31)34-24(11-12-33-34)17-3-1-16(2-4-17)15-32-27(38)20-7-5-18(13-22(20)30)25-9-10-26(37-25)28(35)36/h1-14H,15H2,(H,32,38)(H,35,36)
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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