Browse entries in the PDBbind-CN Database
HEADER 4LUV_COMPLEX COMPND 4LUV_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 226 21 ATOM 1 N GLY A -2 1.553 4.732 -8.674 1.00 33.25 N ATOM 2 CA GLY A -2 0.803 3.873 -9.632 1.00 32.26 C ATOM 3 C GLY A -2 -0.215 2.987 -8.949 1.00 27.58 C ATOM 4 O GLY A -2 -0.485 3.142 -7.760 1.00 32.12 O ATOM 5 HA3 GLY A -2 1.514 3.241 -10.165 1.00 0.00 H ATOM 6 HA2 GLY A -2 0.285 4.515 -10.344 1.00 0.00 H ATOM 7 HN3 GLY A -2 2.059 4.130 -7.994 1.00 0.00 H ATOM 8 HN2 GLY A -2 0.886 5.346 -8.165 1.00 0.00 H ATOM 9 HN1 GLY A -2 2.236 5.317 -9.196 1.00 0.00 H ATOM 10 N SER A -1 -0.806 2.073 -9.709 1.00 30.07 N ATOM 11 CA SER A -1 -1.823 1.177 -9.173 1.00 28.28 C ATOM 12 C SER A -1 -1.252 0.336 -8.035 1.00 28.83 C ATOM 13 O SER A -1 -0.033 0.200 -7.911 1.00 32.13 O ATOM 14 CB SER A -1 -2.372 0.278 -10.282 1.00 27.90 C ATOM 15 OG SER A -1 -2.987 1.054 -11.296 1.00 23.12 O ATOM 16 HA SER A -1 -2.641 1.778 -8.775 1.00 0.00 H ATOM 17 HB2 SER A -1 -3.108 -0.405 -9.858 1.00 0.00 H ATOM 18 HB3 SER A -1 -1.553 -0.295 -10.717 1.00 0.00 H ATOM 19 HG SER A -1 -2.320 1.674 -11.686 1.00 0.00 H ATOM 20 H SER A -1 -0.537 1.994 -10.711 1.00 0.00 H ATOM 21 N HIS A 0 -2.139 -0.209 -7.205 1.00 24.37 N ATOM 22 CA HIS A 0 -1.747 -1.003 -6.040 1.00 22.88 C ATOM 23 C HIS A 0 -0.947 -0.111 -5.091 1.00 15.75 C ATOM 24 O HIS A 0 0.194 -0.384 -4.792 1.00 16.92 O ATOM 25 CB HIS A 0 -0.935 -2.226 -6.506 1.00 22.94 C ATOM 26 CG HIS A 0 -0.561 -3.173 -5.411 1.00 20.92 C ATOM 27 ND1 HIS A 0 -1.489 -3.751 -4.571 1.00 23.70 N ATOM 28 CD2 HIS A 0 0.644 -3.658 -5.032 1.00 18.03 C ATOM 29 CE1 HIS A 0 -0.870 -4.548 -3.718 1.00 19.82 C ATOM 30 NE2 HIS A 0 0.427 -4.508 -3.975 1.00 18.23 N ATOM 31 HA HIS A 0 -2.622 -1.374 -5.506 1.00 0.00 H ATOM 32 HB2 HIS A 0 -1.529 -2.771 -7.240 1.00 0.00 H ATOM 33 HB3 HIS A 0 -0.019 -1.868 -6.976 1.00 0.00 H ATOM 34 HD2 HIS A 0 1.608 -3.419 -5.482 1.00 0.00 H ATOM 35 HE1 HIS A 0 -1.347 -5.138 -2.936 1.00 0.00 H ATOM 36 H HIS A 0 -3.152 -0.065 -7.392 1.00 0.00 H ATOM 37 N MET A 1 -1.543 0.989 -4.648 1.00 15.49 N ATOM 38 CA MET A 1 -0.784 1.991 -3.902 1.00 13.79 C ATOM 39 C MET A 1 -0.160 1.448 -2.625 1.00 10.63 C ATOM 40 O MET A 1 0.940 1.855 -2.255 1.00 11.49 O ATOM 41 CB MET A 1 -1.645 3.213 -3.588 1.00 13.66 C ATOM 42 CG MET A 1 -1.985 4.032 -4.827 1.00 18.22 C ATOM 43 SD MET A 1 -2.744 5.624 -4.494 1.00 18.93 S ATOM 44 CE MET A 1 -4.360 5.081 -3.965 1.00 21.96 C ATOM 45 HA MET A 1 0.037 2.287 -4.555 1.00 0.00 H ATOM 46 HB2 MET A 1 -2.574 2.876 -3.128 1.00 0.00 H ATOM 47 HB3 MET A 1 -1.104 3.849 -2.888 1.00 0.00 H ATOM 48 HG2 MET A 1 -2.673 3.450 -5.440 1.00 0.00 H ATOM 49 HG3 MET A 1 -1.063 4.205 -5.382 1.00 0.00 H ATOM 50 HE1 MET A 1 -4.835 4.520 -4.770 1.00 0.00 H ATOM 51 HE2 MET A 1 -4.258 4.443 -3.087 1.00 0.00 H ATOM 52 HE3 MET A 1 -4.970 5.949 -3.716 1.00 0.00 H ATOM 53 H MET A 1 -2.555 1.139 -4.833 1.00 0.00 H ATOM 54 N VAL A 2 -0.835 0.521 -1.951 1.00 9.94 N ATOM 55 CA VAL A 2 -0.316 0.004 -0.687 1.00 10.96 C ATOM 56 C VAL A 2 0.981 -0.774 -0.907 1.00 9.58 C ATOM 57 O VAL A 2 1.770 -0.938 0.018 1.00 10.54 O ATOM 58 CB VAL A 2 -1.345 -0.860 0.045 1.00 13.52 C ATOM 59 CG1 VAL A 2 -1.514 -2.223 -0.620 1.00 15.80 C ATOM 60 CG2 VAL A 2 -0.964 -1.004 1.504 1.00 18.99 C ATOM 61 HA VAL A 2 -0.102 0.864 -0.053 1.00 0.00 H ATOM 62 HB VAL A 2 -2.310 -0.357 -0.013 1.00 0.00 H ATOM 63 HG11 VAL A 2 -1.850 -2.085 -1.648 1.00 0.00 H ATOM 64 HG12 VAL A 2 -0.559 -2.749 -0.616 1.00 0.00 H ATOM 65 HG13 VAL A 2 -2.253 -2.805 -0.070 1.00 0.00 H ATOM 66 HG21 VAL A 2 0.016 -1.476 1.577 1.00 0.00 H ATOM 67 HG22 VAL A 2 -0.930 -0.018 1.968 1.00 0.00 H ATOM 68 HG23 VAL A 2 -1.705 -1.621 2.012 1.00 0.00 H ATOM 69 H VAL A 2 -1.737 0.163 -2.326 1.00 0.00 H ATOM 70 N GLY A 3 1.203 -1.232 -2.139 1.00 8.43 N ATOM 71 CA GLY A 3 2.456 -1.870 -2.502 1.00 10.87 C ATOM 72 C GLY A 3 3.662 -0.944 -2.421 1.00 8.71 C ATOM 73 O GLY A 3 4.800 -1.414 -2.463 1.00 11.06 O ATOM 74 HA3 GLY A 3 2.372 -2.237 -3.525 1.00 0.00 H ATOM 75 HA2 GLY A 3 2.622 -2.711 -1.828 1.00 0.00 H ATOM 76 H GLY A 3 0.460 -1.130 -2.859 1.00 0.00 H ATOM 77 N GLN A 4 3.423 0.359 -2.289 1.00 9.91 N ATOM 78 CA GLN A 4 4.527 1.297 -2.150 1.00 10.29 C ATOM 79 C GLN A 4 5.064 1.365 -0.716 1.00 8.15 C ATOM 80 O GLN A 4 6.136 1.937 -0.491 1.00 9.98 O ATOM 81 CB GLN A 4 4.093 2.686 -2.614 1.00 10.34 C ATOM 82 CG GLN A 4 3.701 2.743 -4.075 1.00 11.25 C ATOM 83 CD GLN A 4 4.902 2.725 -4.998 1.00 17.95 C ATOM 84 OE1 GLN A 4 5.098 1.782 -5.765 1.00 22.00 O ATOM 85 NE2 GLN A 4 5.720 3.768 -4.923 1.00 20.05 N ATOM 86 HA GLN A 4 5.340 0.934 -2.779 1.00 0.00 H ATOM 87 HB2 GLN A 4 3.237 2.998 -2.015 1.00 0.00 H ATOM 88 HB3 GLN A 4 4.920 3.378 -2.452 1.00 0.00 H ATOM 89 HG2 GLN A 4 3.072 1.882 -4.302 1.00 0.00 H ATOM 90 HG3 GLN A 4 3.138 3.660 -4.251 1.00 0.00 H ATOM 91 HE22 GLN A 4 5.515 4.543 -4.260 1.00 0.00 H ATOM 92 HE21 GLN A 4 6.566 3.810 -5.527 1.00 0.00 H ATOM 93 H GLN A 4 2.443 0.708 -2.285 1.00 0.00 H ATOM 94 N LEU A 5 4.327 0.794 0.243 1.00 6.96 N ATOM 95 CA LEU A 5 4.681 0.929 1.653 1.00 7.21 C ATOM 96 C LEU A 5 5.153 -0.387 2.236 1.00 7.15 C ATOM 97 O LEU A 5 4.736 -1.463 1.798 1.00 8.10 O ATOM 98 CB LEU A 5 3.478 1.427 2.448 1.00 8.02 C ATOM 99 CG LEU A 5 2.844 2.741 1.976 1.00 7.20 C ATOM 100 CD1 LEU A 5 1.701 3.142 2.899 1.00 9.71 C ATOM 101 CD2 LEU A 5 3.866 3.856 1.861 1.00 7.94 C ATOM 102 HA LEU A 5 5.497 1.649 1.721 1.00 0.00 H ATOM 103 HB2 LEU A 5 2.710 0.655 2.406 1.00 0.00 H ATOM 104 HB3 LEU A 5 3.797 1.565 3.481 1.00 0.00 H ATOM 105 HG LEU A 5 2.443 2.572 0.977 1.00 0.00 H ATOM 106 HD21 LEU A 5 4.324 4.029 2.835 1.00 0.00 H ATOM 107 HD22 LEU A 5 4.634 3.570 1.142 1.00 0.00 H ATOM 108 HD23 LEU A 5 3.372 4.767 1.524 1.00 0.00 H ATOM 109 HD11 LEU A 5 0.942 2.360 2.896 1.00 0.00 H ATOM 110 HD12 LEU A 5 2.083 3.275 3.911 1.00 0.00 H ATOM 111 HD13 LEU A 5 1.263 4.077 2.548 1.00 0.00 H ATOM 112 H LEU A 5 3.485 0.243 -0.021 1.00 0.00 H ATOM 113 N SER A 6 6.021 -0.295 3.231 1.00 7.45 N ATOM 114 CA SER A 6 6.596 -1.466 3.877 1.00 7.10 C ATOM 115 C SER A 6 5.631 -2.125 4.860 1.00 8.96 C ATOM 116 O SER A 6 5.809 -2.034 6.083 1.00 8.03 O ATOM 117 CB SER A 6 7.873 -1.068 4.607 1.00 8.04 C ATOM 118 OG SER A 6 8.888 -0.770 3.677 1.00 8.06 O ATOM 119 HA SER A 6 6.813 -2.195 3.096 1.00 0.00 H ATOM 120 HB2 SER A 6 8.197 -1.892 5.243 1.00 0.00 H ATOM 121 HB3 SER A 6 7.678 -0.190 5.223 1.00 0.00 H ATOM 122 HG SER A 6 9.712 -0.513 4.161 1.00 0.00 H ATOM 123 H SER A 6 6.303 0.649 3.564 1.00 0.00 H ATOM 124 N ARG A 7 4.619 -2.799 4.320 1.00 7.68 N ATOM 125 CA ARG A 7 3.614 -3.457 5.145 1.00 8.52 C ATOM 126 C ARG A 7 4.278 -4.402 6.128 1.00 8.63 C ATOM 127 O ARG A 7 5.070 -5.262 5.737 1.00 11.34 O ATOM 128 CB ARG A 7 2.607 -4.198 4.267 1.00 9.67 C ATOM 129 CG ARG A 7 1.649 -3.289 3.519 1.00 9.97 C ATOM 130 CD ARG A 7 0.742 -4.086 2.590 1.00 13.19 C ATOM 131 NE ARG A 7 1.432 -4.438 1.358 1.00 12.90 N ATOM 132 CZ ARG A 7 0.901 -5.132 0.360 1.00 15.43 C ATOM 133 NH1 ARG A 7 -0.339 -5.597 0.445 1.00 17.16 N ATOM 134 NH2 ARG A 7 1.621 -5.373 -0.725 1.00 17.00 N ATOM 135 HA ARG A 7 3.074 -2.700 5.713 1.00 0.00 H ATOM 136 HB2 ARG A 7 3.159 -4.789 3.536 1.00 0.00 H ATOM 137 HB3 ARG A 7 2.022 -4.863 4.903 1.00 0.00 H ATOM 138 HG2 ARG A 7 1.034 -2.750 4.240 1.00 0.00 H ATOM 139 HG3 ARG A 7 2.224 -2.575 2.929 1.00 0.00 H ATOM 140 HD2 ARG A 7 -0.135 -3.486 2.348 1.00 0.00 H ATOM 141 HD3 ARG A 7 0.428 -4.999 3.096 1.00 0.00 H ATOM 142 HE ARG A 7 2.417 -4.121 1.252 1.00 0.00 H ATOM 143 HH12 ARG A 7 -0.746 -6.140 -0.343 1.00 0.00 H ATOM 144 HH11 ARG A 7 -0.904 -5.418 1.300 1.00 0.00 H ATOM 145 HH22 ARG A 7 1.211 -5.916 -1.511 1.00 0.00 H ATOM 146 HH21 ARG A 7 2.597 -5.019 -0.791 1.00 0.00 H ATOM 147 H ARG A 7 4.543 -2.858 3.284 1.00 0.00 H ATOM 148 N GLY A 8 3.940 -4.236 7.406 1.00 9.20 N ATOM 149 CA GLY A 8 4.503 -5.046 8.474 1.00 10.76 C ATOM 150 C GLY A 8 5.670 -4.403 9.204 1.00 9.26 C ATOM 151 O GLY A 8 6.107 -4.889 10.246 1.00 12.30 O ATOM 152 HA3 GLY A 8 4.847 -5.986 8.043 1.00 0.00 H ATOM 153 HA2 GLY A 8 3.716 -5.247 9.200 1.00 0.00 H ATOM 154 H GLY A 8 3.247 -3.499 7.649 1.00 0.00 H ATOM 155 N ALA A 9 6.184 -3.298 8.685 1.00 8.97 N ATOM 156 CA ALA A 9 7.317 -2.639 9.331 1.00 10.07 C ATOM 157 C ALA A 9 6.997 -2.117 10.727 1.00 8.47 C ATOM 158 O ALA A 9 7.848 -2.163 11.616 1.00 10.84 O ATOM 159 CB ALA A 9 7.836 -1.514 8.473 1.00 9.45 C ATOM 160 HA ALA A 9 8.085 -3.404 9.446 1.00 0.00 H ATOM 161 HB1 ALA A 9 8.160 -1.912 7.511 1.00 0.00 H ATOM 162 HB2 ALA A 9 7.043 -0.782 8.317 1.00 0.00 H ATOM 163 HB3 ALA A 9 8.679 -1.037 8.973 1.00 0.00 H ATOM 164 H ALA A 9 5.780 -2.898 7.814 1.00 0.00 H ATOM 165 N ILE A 10 5.798 -1.585 10.928 1.00 8.03 N ATOM 166 CA ILE A 10 5.451 -1.061 12.251 1.00 9.78 C ATOM 167 C ILE A 10 5.481 -2.167 13.313 1.00 11.50 C ATOM 168 O ILE A 10 6.118 -2.020 14.369 1.00 12.53 O ATOM 169 CB ILE A 10 4.119 -0.300 12.206 1.00 10.31 C ATOM 170 CG1 ILE A 10 4.374 1.069 11.577 1.00 10.85 C ATOM 171 CG2 ILE A 10 3.521 -0.131 13.594 1.00 12.21 C ATOM 172 CD1 ILE A 10 3.129 1.794 11.204 1.00 13.42 C ATOM 173 HA ILE A 10 6.210 -0.337 12.549 1.00 0.00 H ATOM 174 HB ILE A 10 3.403 -0.870 11.614 1.00 0.00 H ATOM 175 HG12 ILE A 10 4.928 1.679 12.291 1.00 0.00 H ATOM 176 HG13 ILE A 10 4.974 0.929 10.678 1.00 0.00 H ATOM 177 HD11 ILE A 10 2.568 1.202 10.481 1.00 0.00 H ATOM 178 HD12 ILE A 10 2.521 1.952 12.095 1.00 0.00 H ATOM 179 HD13 ILE A 10 3.389 2.757 10.764 1.00 0.00 H ATOM 180 HG21 ILE A 10 3.342 -1.112 14.033 1.00 0.00 H ATOM 181 HG22 ILE A 10 4.215 0.428 14.222 1.00 0.00 H ATOM 182 HG23 ILE A 10 2.579 0.412 13.519 1.00 0.00 H ATOM 183 H ILE A 10 5.109 -1.540 10.151 1.00 0.00 H ATOM 184 N ALA A 11 4.839 -3.286 13.004 1.00 12.18 N ATOM 185 CA ALA A 11 4.877 -4.434 13.894 1.00 14.89 C ATOM 186 C ALA A 11 6.309 -4.898 14.124 1.00 16.58 C ATOM 187 O ALA A 11 6.649 -5.296 15.230 1.00 19.25 O ATOM 188 CB ALA A 11 4.039 -5.573 13.338 1.00 18.40 C ATOM 189 HA ALA A 11 4.457 -4.128 14.852 1.00 0.00 H ATOM 190 HB1 ALA A 11 3.006 -5.243 13.231 1.00 0.00 H ATOM 191 HB2 ALA A 11 4.430 -5.868 12.364 1.00 0.00 H ATOM 192 HB3 ALA A 11 4.082 -6.421 14.021 1.00 0.00 H ATOM 193 H ALA A 11 4.303 -3.342 12.115 1.00 0.00 H ATOM 194 N ALA A 12 7.146 -4.858 13.093 1.00 13.83 N ATOM 195 CA ALA A 12 8.522 -5.333 13.208 1.00 18.19 C ATOM 196 C ALA A 12 9.298 -4.415 14.136 1.00 18.72 C ATOM 197 O ALA A 12 10.049 -4.877 14.997 1.00 21.45 O ATOM 198 CB ALA A 12 9.185 -5.392 11.846 1.00 19.12 C ATOM 199 HA ALA A 12 8.515 -6.341 13.622 1.00 0.00 H ATOM 200 HB1 ALA A 12 8.629 -6.074 11.202 1.00 0.00 H ATOM 201 HB2 ALA A 12 9.192 -4.396 11.403 1.00 0.00 H ATOM 202 HB3 ALA A 12 10.209 -5.749 11.957 1.00 0.00 H ATOM 203 H ALA A 12 6.814 -4.480 12.183 1.00 0.00 H ATOM 204 N ILE A 13 9.119 -3.111 13.956 1.00 14.13 N ATOM 205 CA ILE A 13 9.784 -2.139 14.815 1.00 16.36 C ATOM 206 C ILE A 13 9.355 -2.315 16.262 1.00 18.02 C ATOM 207 O ILE A 13 10.192 -2.309 17.161 1.00 22.54 O ATOM 208 CB ILE A 13 9.487 -0.692 14.370 1.00 13.06 C ATOM 209 CG1 ILE A 13 10.159 -0.416 13.021 1.00 15.52 C ATOM 210 CG2 ILE A 13 9.977 0.319 15.420 1.00 18.73 C ATOM 211 CD1 ILE A 13 9.699 0.859 12.345 1.00 17.31 C ATOM 212 HA ILE A 13 10.856 -2.318 14.729 1.00 0.00 H ATOM 213 HB ILE A 13 8.408 -0.578 14.267 1.00 0.00 H ATOM 214 HG12 ILE A 13 11.235 -0.348 13.183 1.00 0.00 H ATOM 215 HG13 ILE A 13 9.945 -1.252 12.355 1.00 0.00 H ATOM 216 HD11 ILE A 13 8.626 0.805 12.162 1.00 0.00 H ATOM 217 HD12 ILE A 13 9.917 1.710 12.991 1.00 0.00 H ATOM 218 HD13 ILE A 13 10.225 0.976 11.397 1.00 0.00 H ATOM 219 HG21 ILE A 13 9.470 0.133 16.367 1.00 0.00 H ATOM 220 HG22 ILE A 13 11.053 0.208 15.555 1.00 0.00 H ATOM 221 HG23 ILE A 13 9.755 1.330 15.080 1.00 0.00 H ATOM 222 H ILE A 13 8.496 -2.779 13.192 1.00 0.00 H ATOM 223 N MET A 14 8.055 -2.462 16.484 1.00 16.51 N ATOM 224 CA MET A 14 7.550 -2.527 17.852 1.00 22.39 C ATOM 225 C MET A 14 7.683 -3.915 18.501 1.00 22.06 C ATOM 226 O MET A 14 7.839 -3.996 19.723 1.00 28.92 O ATOM 227 CB MET A 14 6.099 -2.032 17.923 1.00 19.53 C ATOM 228 CG MET A 14 5.880 -0.605 17.395 1.00 19.39 C ATOM 229 SD MET A 14 6.689 0.704 18.345 1.00 22.53 S ATOM 230 CE MET A 14 5.565 0.942 19.728 1.00 21.92 C ATOM 231 HA MET A 14 8.187 -1.862 18.435 1.00 0.00 H ATOM 232 HB2 MET A 14 5.480 -2.710 17.336 1.00 0.00 H ATOM 233 HB3 MET A 14 5.781 -2.061 18.965 1.00 0.00 H ATOM 234 HG2 MET A 14 4.808 -0.407 17.394 1.00 0.00 H ATOM 235 HG3 MET A 14 6.257 -0.562 16.373 1.00 0.00 H ATOM 236 HE1 MET A 14 4.586 1.238 19.352 1.00 0.00 H ATOM 237 HE2 MET A 14 5.475 0.010 20.286 1.00 0.00 H ATOM 238 HE3 MET A 14 5.955 1.722 20.382 1.00 0.00 H ATOM 239 H MET A 14 7.396 -2.531 15.683 1.00 0.00 H ATOM 240 N GLN A 15 7.658 -4.993 17.719 1.00 24.05 N ATOM 241 CA GLN A 15 7.697 -6.356 18.284 1.00 21.57 C ATOM 242 C GLN A 15 9.114 -6.916 18.350 1.00 26.78 C ATOM 243 O GLN A 15 9.466 -7.591 19.311 1.00 31.64 O ATOM 244 CB GLN A 15 6.814 -7.332 17.481 1.00 27.99 C ATOM 245 CG GLN A 15 5.315 -7.174 17.702 1.00 24.26 C ATOM 246 CD GLN A 15 4.470 -7.864 16.636 1.00 25.97 C ATOM 247 OE1 GLN A 15 4.916 -8.805 15.981 1.00 32.69 O ATOM 248 NE2 GLN A 15 3.236 -7.391 16.461 1.00 30.33 N ATOM 249 HA GLN A 15 7.308 -6.265 19.298 1.00 0.00 H ATOM 250 HB2 GLN A 15 7.018 -7.179 16.421 1.00 0.00 H ATOM 251 HB3 GLN A 15 7.092 -8.348 17.760 1.00 0.00 H ATOM 252 HG2 GLN A 15 5.062 -7.599 18.673 1.00 0.00 H ATOM 253 HG3 GLN A 15 5.075 -6.111 17.699 1.00 0.00 H ATOM 254 HE22 GLN A 15 2.898 -6.593 17.037 1.00 0.00 H ATOM 255 HE21 GLN A 15 2.611 -7.820 15.749 1.00 0.00 H ATOM 256 H GLN A 15 7.610 -4.872 16.687 1.00 0.00 H ATOM 257 N LYS A 16 9.916 -6.643 17.323 1.00 29.19 N ATOM 258 CA LYS A 16 11.268 -7.198 17.225 1.00 29.21 C ATOM 259 C LYS A 16 12.348 -6.169 17.530 1.00 31.67 C ATOM 260 O LYS A 16 13.461 -6.526 17.906 1.00 34.82 O ATOM 261 CB LYS A 16 11.510 -7.774 15.830 1.00 32.16 C ATOM 262 CG LYS A 16 10.511 -8.846 15.422 1.00 43.65 C ATOM 263 CD LYS A 16 10.740 -9.316 13.993 1.00 47.48 C ATOM 264 CE LYS A 16 12.122 -9.929 13.808 1.00 53.95 C ATOM 265 NZ LYS A 16 12.292 -10.513 12.449 1.00 51.53 N ATOM 266 HA LYS A 16 11.332 -7.986 17.975 1.00 0.00 H ATOM 267 HB2 LYS A 16 11.453 -6.959 15.108 1.00 0.00 H ATOM 268 HB3 LYS A 16 12.509 -8.209 15.807 1.00 0.00 H ATOM 269 HG2 LYS A 16 10.612 -9.698 16.095 1.00 0.00 H ATOM 270 HG3 LYS A 16 9.503 -8.439 15.503 1.00 0.00 H ATOM 271 HD2 LYS A 16 9.987 -10.063 13.743 1.00 0.00 H ATOM 272 HD3 LYS A 16 10.640 -8.463 13.322 1.00 0.00 H ATOM 273 HE2 LYS A 16 12.261 -10.715 14.550 1.00 0.00 H ATOM 274 HE3 LYS A 16 12.874 -9.154 13.956 1.00 0.00 H ATOM 275 HZ1 LYS A 16 11.582 -11.258 12.302 1.00 0.00 H ATOM 276 HZ2 LYS A 16 12.167 -9.768 11.735 1.00 0.00 H ATOM 277 HZ3 LYS A 16 13.246 -10.920 12.364 1.00 0.00 H ATOM 278 H LYS A 16 9.572 -6.017 16.567 1.00 0.00 H ATOM 279 N GLY A 17 12.027 -4.895 17.356 1.00 30.85 N ATOM 280 CA GLY A 17 12.985 -3.839 17.618 1.00 31.14 C ATOM 281 C GLY A 17 14.121 -3.818 16.616 1.00 33.53 C ATOM 282 O GLY A 17 15.139 -3.163 16.843 1.00 33.49 O ATOM 283 HA3 GLY A 17 13.401 -3.985 18.615 1.00 0.00 H ATOM 284 HA2 GLY A 17 12.467 -2.881 17.579 1.00 0.00 H ATOM 285 H GLY A 17 11.072 -4.649 17.026 1.00 0.00 H ATOM 286 N ASP A 18 13.948 -4.535 15.509 1.00 32.49 N ATOM 287 CA ASP A 18 14.946 -4.568 14.446 1.00 35.66 C ATOM 288 C ASP A 18 15.141 -3.180 13.844 1.00 33.40 C ATOM 289 O ASP A 18 14.177 -2.555 13.416 1.00 34.36 O ATOM 290 CB ASP A 18 14.526 -5.564 13.357 1.00 42.78 C ATOM 291 CG ASP A 18 13.113 -5.317 12.837 1.00 33.50 C ATOM 292 OD1 ASP A 18 12.364 -4.527 13.450 1.00 28.87 O ATOM 293 OD2 ASP A 18 12.746 -5.932 11.811 1.00 36.56 O ATOM 294 HA ASP A 18 15.894 -4.892 14.875 1.00 0.00 H ATOM 295 HB2 ASP A 18 15.223 -5.482 12.523 1.00 0.00 H ATOM 296 HB3 ASP A 18 14.573 -6.572 13.770 1.00 0.00 H ATOM 297 H ASP A 18 13.075 -5.089 15.398 1.00 0.00 H ATOM 298 N THR A 19 16.387 -2.706 13.812 1.00 26.23 N ATOM 299 CA THR A 19 16.682 -1.358 13.315 1.00 27.92 C ATOM 300 C THR A 19 17.488 -1.325 12.023 1.00 30.63 C ATOM 301 O THR A 19 17.842 -0.245 11.541 1.00 29.02 O ATOM 302 CB THR A 19 17.486 -0.544 14.331 1.00 31.49 C ATOM 303 OG1 THR A 19 18.652 -1.286 14.706 1.00 37.48 O ATOM 304 CG2 THR A 19 16.650 -0.223 15.561 1.00 33.76 C ATOM 305 HA THR A 19 15.694 -0.935 13.136 1.00 0.00 H ATOM 306 HB THR A 19 17.780 0.401 13.874 1.00 0.00 H ATOM 307 HG1 THR A 19 19.177 -0.764 15.364 1.00 0.00 H ATOM 308 HG23 THR A 19 15.767 0.341 15.261 1.00 0.00 H ATOM 309 HG21 THR A 19 16.343 -1.151 16.043 1.00 0.00 H ATOM 310 HG22 THR A 19 17.243 0.370 16.257 1.00 0.00 H ATOM 311 H THR A 19 17.168 -3.306 14.147 1.00 0.00 H ATOM 312 N ASN A 20 17.787 -2.489 11.460 1.00 24.72 N ATOM 313 CA ASN A 20 18.542 -2.536 10.214 1.00 25.93 C ATOM 314 C ASN A 20 17.650 -2.303 8.997 1.00 19.28 C ATOM 315 O ASN A 20 18.128 -1.993 7.902 1.00 20.32 O ATOM 316 CB ASN A 20 19.286 -3.859 10.122 1.00 29.64 C ATOM 317 CG ASN A 20 20.239 -4.047 11.275 1.00 38.81 C ATOM 318 OD1 ASN A 20 20.071 -4.946 12.099 1.00 34.24 O ATOM 319 ND2 ASN A 20 21.233 -3.171 11.362 1.00 30.55 N ATOM 320 HA ASN A 20 19.269 -1.724 10.217 1.00 0.00 H ATOM 321 HB2 ASN A 20 18.561 -4.673 10.127 1.00 0.00 H ATOM 322 HB3 ASN A 20 19.851 -3.883 9.190 1.00 0.00 H ATOM 323 HD22 ASN A 20 21.336 -2.428 10.642 1.00 0.00 H ATOM 324 HD21 ASN A 20 21.909 -3.228 12.150 1.00 0.00 H ATOM 325 H ASN A 20 17.480 -3.374 11.911 1.00 0.00 H ATOM 326 N ILE A 21 16.346 -2.435 9.194 1.00 14.93 N ATOM 327 CA ILE A 21 15.399 -2.197 8.116 1.00 13.02 C ATOM 328 C ILE A 21 15.382 -0.718 7.747 1.00 11.13 C ATOM 329 O ILE A 21 15.664 0.149 8.584 1.00 12.60 O ATOM 330 CB ILE A 21 13.970 -2.673 8.489 1.00 15.01 C ATOM 331 CG1 ILE A 21 13.498 -2.055 9.811 1.00 13.97 C ATOM 332 CG2 ILE A 21 13.926 -4.187 8.577 1.00 17.53 C ATOM 333 CD1 ILE A 21 12.007 -2.226 10.054 1.00 16.48 C ATOM 334 HA ILE A 21 15.726 -2.779 7.255 1.00 0.00 H ATOM 335 HB ILE A 21 13.294 -2.339 7.702 1.00 0.00 H ATOM 336 HG12 ILE A 21 14.039 -2.531 10.629 1.00 0.00 H ATOM 337 HG13 ILE A 21 13.727 -0.989 9.797 1.00 0.00 H ATOM 338 HD11 ILE A 21 11.451 -1.746 9.249 1.00 0.00 H ATOM 339 HD12 ILE A 21 11.764 -3.288 10.081 1.00 0.00 H ATOM 340 HD13 ILE A 21 11.740 -1.766 11.006 1.00 0.00 H ATOM 341 HG21 ILE A 21 14.204 -4.614 7.613 1.00 0.00 H ATOM 342 HG22 ILE A 21 14.626 -4.526 9.341 1.00 0.00 H ATOM 343 HG23 ILE A 21 12.917 -4.505 8.839 1.00 0.00 H ATOM 344 H ILE A 21 15.995 -2.713 10.133 1.00 0.00 H ATOM 345 N LYS A 22 15.044 -0.448 6.490 1.00 9.56 N ATOM 346 CA LYS A 22 14.885 0.915 5.991 1.00 8.38 C ATOM 347 C LYS A 22 13.476 1.076 5.421 1.00 6.27 C ATOM 348 O LYS A 22 13.273 1.235 4.211 1.00 9.27 O ATOM 349 CB LYS A 22 15.952 1.227 4.938 1.00 11.35 C ATOM 350 CG LYS A 22 17.380 1.161 5.514 1.00 15.76 C ATOM 351 CD LYS A 22 18.411 1.830 4.615 1.00 25.28 C ATOM 352 CE LYS A 22 18.395 1.299 3.190 1.00 36.16 C ATOM 353 NZ LYS A 22 19.424 1.969 2.346 1.00 30.87 N ATOM 354 HA LYS A 22 15.017 1.624 6.808 1.00 0.00 H ATOM 355 HB2 LYS A 22 15.867 0.503 4.127 1.00 0.00 H ATOM 356 HB3 LYS A 22 15.777 2.230 4.548 1.00 0.00 H ATOM 357 HG2 LYS A 22 17.388 1.659 6.484 1.00 0.00 H ATOM 358 HG3 LYS A 22 17.656 0.114 5.642 1.00 0.00 H ATOM 359 HD2 LYS A 22 18.206 2.900 4.589 1.00 0.00 H ATOM 360 HD3 LYS A 22 19.402 1.661 5.037 1.00 0.00 H ATOM 361 HE2 LYS A 22 17.411 1.476 2.757 1.00 0.00 H ATOM 362 HE3 LYS A 22 18.595 0.228 3.209 1.00 0.00 H ATOM 363 HZ1 LYS A 22 19.236 2.992 2.319 1.00 0.00 H ATOM 364 HZ2 LYS A 22 20.367 1.799 2.751 1.00 0.00 H ATOM 365 HZ3 LYS A 22 19.385 1.582 1.381 1.00 0.00 H ATOM 366 H LYS A 22 14.886 -1.240 5.835 1.00 0.00 H ATOM 367 N PRO A 23 12.477 1.040 6.306 1.00 7.89 N ATOM 368 CA PRO A 23 11.100 0.919 5.839 1.00 7.44 C ATOM 369 C PRO A 23 10.591 2.171 5.158 1.00 7.15 C ATOM 370 O PRO A 23 10.989 3.297 5.469 1.00 7.77 O ATOM 371 CB PRO A 23 10.320 0.664 7.124 1.00 8.74 C ATOM 372 CG PRO A 23 11.141 1.326 8.190 1.00 9.37 C ATOM 373 CD PRO A 23 12.559 1.092 7.776 1.00 10.09 C ATOM 374 HA PRO A 23 10.999 0.136 5.088 1.00 0.00 H ATOM 375 HD3 PRO A 23 13.202 1.909 8.103 1.00 0.00 H ATOM 376 HD2 PRO A 23 12.934 0.152 8.180 1.00 0.00 H ATOM 377 HG3 PRO A 23 10.945 0.875 9.163 1.00 0.00 H ATOM 378 HG2 PRO A 23 10.924 2.393 8.235 1.00 0.00 H ATOM 379 HB2 PRO A 23 9.327 1.109 7.068 1.00 0.00 H ATOM 380 HB3 PRO A 23 10.228 -0.405 7.315 1.00 0.00 H ATOM 381 N ILE A 24 9.681 1.948 4.225 1.00 6.69 N ATOM 382 CA ILE A 24 9.000 3.025 3.532 1.00 5.97 C ATOM 383 C ILE A 24 7.612 3.190 4.138 1.00 6.17 C ATOM 384 O ILE A 24 6.812 2.244 4.179 1.00 6.89 O ATOM 385 CB ILE A 24 8.945 2.767 2.022 1.00 6.14 C ATOM 386 CG1 ILE A 24 10.375 2.679 1.479 1.00 8.45 C ATOM 387 CG2 ILE A 24 8.149 3.861 1.328 1.00 7.26 C ATOM 388 CD1 ILE A 24 10.462 2.249 0.037 1.00 10.76 C ATOM 389 HA ILE A 24 9.554 3.955 3.659 1.00 0.00 H ATOM 390 HB ILE A 24 8.438 1.823 1.824 1.00 0.00 H ATOM 391 HG12 ILE A 24 10.837 3.662 1.572 1.00 0.00 H ATOM 392 HG13 ILE A 24 10.927 1.960 2.084 1.00 0.00 H ATOM 393 HD11 ILE A 24 10.015 1.261 -0.074 1.00 0.00 H ATOM 394 HD12 ILE A 24 9.925 2.964 -0.587 1.00 0.00 H ATOM 395 HD13 ILE A 24 11.508 2.213 -0.267 1.00 0.00 H ATOM 396 HG21 ILE A 24 7.134 3.877 1.724 1.00 0.00 H ATOM 397 HG22 ILE A 24 8.625 4.825 1.508 1.00 0.00 H ATOM 398 HG23 ILE A 24 8.119 3.663 0.257 1.00 0.00 H ATOM 399 H ILE A 24 9.445 0.965 3.979 1.00 0.00 H ATOM 400 N LEU A 25 7.364 4.388 4.656 1.00 6.17 N ATOM 401 CA LEU A 25 6.162 4.696 5.411 1.00 5.91 C ATOM 402 C LEU A 25 5.513 5.953 4.861 1.00 6.53 C ATOM 403 O LEU A 25 6.180 6.784 4.253 1.00 9.09 O ATOM 404 CB LEU A 25 6.532 4.938 6.881 1.00 8.11 C ATOM 405 CG LEU A 25 7.266 3.810 7.614 1.00 9.45 C ATOM 406 CD1 LEU A 25 7.672 4.275 9.022 1.00 12.48 C ATOM 407 CD2 LEU A 25 6.397 2.572 7.675 1.00 10.58 C ATOM 408 HA LEU A 25 5.469 3.859 5.329 1.00 0.00 H ATOM 409 HB2 LEU A 25 7.169 5.822 6.918 1.00 0.00 H ATOM 410 HB3 LEU A 25 5.608 5.135 7.424 1.00 0.00 H ATOM 411 HG LEU A 25 8.173 3.556 7.065 1.00 0.00 H ATOM 412 HD21 LEU A 25 5.475 2.803 8.208 1.00 0.00 H ATOM 413 HD22 LEU A 25 6.161 2.245 6.662 1.00 0.00 H ATOM 414 HD23 LEU A 25 6.932 1.780 8.198 1.00 0.00 H ATOM 415 HD11 LEU A 25 8.331 5.140 8.942 1.00 0.00 H ATOM 416 HD12 LEU A 25 6.779 4.548 9.585 1.00 0.00 H ATOM 417 HD13 LEU A 25 8.193 3.466 9.534 1.00 0.00 H ATOM 418 H LEU A 25 8.065 5.143 4.514 1.00 0.00 H ATOM 419 N GLN A 26 4.219 6.102 5.112 1.00 6.23 N ATOM 420 CA GLN A 26 3.505 7.316 4.744 1.00 5.96 C ATOM 421 C GLN A 26 3.242 8.154 5.980 1.00 5.78 C ATOM 422 O GLN A 26 2.820 7.639 7.017 1.00 6.97 O ATOM 423 CB GLN A 26 2.177 6.993 4.058 1.00 6.66 C ATOM 424 CG GLN A 26 1.486 8.248 3.539 1.00 7.51 C ATOM 425 CD GLN A 26 0.206 7.973 2.800 1.00 7.86 C ATOM 426 OE1 GLN A 26 -0.535 7.067 3.144 1.00 7.56 O ATOM 427 NE2 GLN A 26 -0.080 8.784 1.788 1.00 7.74 N ATOM 428 HA GLN A 26 4.128 7.873 4.044 1.00 0.00 H ATOM 429 HB2 GLN A 26 2.367 6.323 3.220 1.00 0.00 H ATOM 430 HB3 GLN A 26 1.521 6.500 4.775 1.00 0.00 H ATOM 431 HG2 GLN A 26 1.261 8.893 4.388 1.00 0.00 H ATOM 432 HG3 GLN A 26 2.169 8.763 2.864 1.00 0.00 H ATOM 433 HE22 GLN A 26 0.580 9.544 1.528 1.00 0.00 H ATOM 434 HE21 GLN A 26 -0.964 8.659 1.255 1.00 0.00 H ATOM 435 H GLN A 26 3.702 5.333 5.583 1.00 0.00 H ATOM 436 N VAL A 27 3.486 9.452 5.864 1.00 6.38 N ATOM 437 CA VAL A 27 3.105 10.381 6.919 1.00 6.36 C ATOM 438 C VAL A 27 1.611 10.626 6.822 1.00 6.07 C ATOM 439 O VAL A 27 1.106 11.020 5.769 1.00 8.22 O ATOM 440 CB VAL A 27 3.838 11.723 6.779 1.00 8.16 C ATOM 441 CG1 VAL A 27 3.365 12.712 7.830 1.00 9.68 C ATOM 442 CG2 VAL A 27 5.342 11.521 6.855 1.00 9.43 C ATOM 443 HA VAL A 27 3.374 9.946 7.881 1.00 0.00 H ATOM 444 HB VAL A 27 3.602 12.141 5.800 1.00 0.00 H ATOM 445 HG11 VAL A 27 2.295 12.883 7.711 1.00 0.00 H ATOM 446 HG12 VAL A 27 3.561 12.307 8.823 1.00 0.00 H ATOM 447 HG13 VAL A 27 3.900 13.654 7.708 1.00 0.00 H ATOM 448 HG21 VAL A 27 5.599 11.076 7.816 1.00 0.00 H ATOM 449 HG22 VAL A 27 5.660 10.859 6.050 1.00 0.00 H ATOM 450 HG23 VAL A 27 5.842 12.484 6.754 1.00 0.00 H ATOM 451 H VAL A 27 3.956 9.811 5.009 1.00 0.00 H ATOM 452 N ILE A 28 0.889 10.374 7.906 1.00 6.37 N ATOM 453 CA ILE A 28 -0.541 10.669 7.944 1.00 7.37 C ATOM 454 C ILE A 28 -0.761 12.047 8.552 1.00 9.13 C ATOM 455 O ILE A 28 -1.555 12.830 8.048 1.00 10.51 O ATOM 456 CB ILE A 28 -1.327 9.604 8.732 1.00 8.30 C ATOM 457 CG1 ILE A 28 -1.063 8.207 8.150 1.00 9.54 C ATOM 458 CG2 ILE A 28 -2.812 9.930 8.733 1.00 10.80 C ATOM 459 CD1 ILE A 28 -1.328 8.086 6.672 1.00 11.19 C ATOM 460 HA ILE A 28 -0.916 10.655 6.921 1.00 0.00 H ATOM 461 HB ILE A 28 -0.984 9.608 9.767 1.00 0.00 H ATOM 462 HG12 ILE A 28 -0.018 7.954 8.331 1.00 0.00 H ATOM 463 HG13 ILE A 28 -1.703 7.494 8.670 1.00 0.00 H ATOM 464 HD11 ILE A 28 -2.373 8.322 6.471 1.00 0.00 H ATOM 465 HD12 ILE A 28 -0.687 8.782 6.131 1.00 0.00 H ATOM 466 HD13 ILE A 28 -1.115 7.067 6.348 1.00 0.00 H ATOM 467 HG21 ILE A 28 -2.969 10.903 9.199 1.00 0.00 H ATOM 468 HG22 ILE A 28 -3.178 9.954 7.707 1.00 0.00 H ATOM 469 HG23 ILE A 28 -3.350 9.166 9.295 1.00 0.00 H ATOM 470 H ILE A 28 1.348 9.960 8.742 1.00 0.00 H ATOM 471 N ASN A 29 -0.064 12.333 9.643 1.00 8.52 N ATOM 472 CA ASN A 29 -0.150 13.660 10.232 1.00 9.28 C ATOM 473 C ASN A 29 1.098 13.988 11.010 1.00 7.69 C ATOM 474 O ASN A 29 1.839 13.101 11.414 1.00 9.38 O ATOM 475 CB ASN A 29 -1.386 13.789 11.134 1.00 15.06 C ATOM 476 CG ASN A 29 -1.747 15.229 11.416 1.00 22.66 C ATOM 477 OD1 ASN A 29 -1.269 16.136 10.743 1.00 20.22 O ATOM 478 ND2 ASN A 29 -2.597 15.448 12.411 1.00 33.92 N ATOM 479 HA ASN A 29 -0.246 14.374 9.415 1.00 0.00 H ATOM 480 HB2 ASN A 29 -2.230 13.306 10.642 1.00 0.00 H ATOM 481 HB3 ASN A 29 -1.183 13.287 12.080 1.00 0.00 H ATOM 482 HD22 ASN A 29 -2.978 14.648 12.955 1.00 0.00 H ATOM 483 HD21 ASN A 29 -2.883 16.420 12.646 1.00 0.00 H ATOM 484 H ASN A 29 0.544 11.609 10.077 1.00 0.00 H ATOM 485 N ILE A 30 1.332 15.283 11.174 1.00 8.80 N ATOM 486 CA ILE A 30 2.481 15.819 11.900 1.00 8.50 C ATOM 487 C ILE A 30 1.989 16.937 12.788 1.00 8.88 C ATOM 488 O ILE A 30 1.211 17.784 12.335 1.00 12.49 O ATOM 489 CB ILE A 30 3.527 16.477 10.965 1.00 8.74 C ATOM 490 CG1 ILE A 30 3.996 15.495 9.888 1.00 10.63 C ATOM 491 CG2 ILE A 30 4.716 17.012 11.772 1.00 12.30 C ATOM 492 CD1 ILE A 30 5.064 16.051 8.958 1.00 15.62 C ATOM 493 HA ILE A 30 2.937 14.986 12.435 1.00 0.00 H ATOM 494 HB ILE A 30 3.049 17.319 10.464 1.00 0.00 H ATOM 495 HG12 ILE A 30 4.400 14.612 10.383 1.00 0.00 H ATOM 496 HG13 ILE A 30 3.133 15.210 9.286 1.00 0.00 H ATOM 497 HD11 ILE A 30 4.674 16.929 8.443 1.00 0.00 H ATOM 498 HD12 ILE A 30 5.942 16.330 9.541 1.00 0.00 H ATOM 499 HD13 ILE A 30 5.339 15.291 8.227 1.00 0.00 H ATOM 500 HG21 ILE A 30 4.363 17.756 12.486 1.00 0.00 H ATOM 501 HG22 ILE A 30 5.190 16.189 12.307 1.00 0.00 H ATOM 502 HG23 ILE A 30 5.437 17.469 11.094 1.00 0.00 H ATOM 503 H ILE A 30 0.657 15.958 10.761 1.00 0.00 H ATOM 504 N ARG A 31 2.431 16.967 14.036 1.00 10.63 N ATOM 505 CA ARG A 31 2.115 18.119 14.868 1.00 12.04 C ATOM 506 C ARG A 31 3.223 18.375 15.855 1.00 11.16 C ATOM 507 O ARG A 31 3.967 17.455 16.219 1.00 11.97 O ATOM 508 CB ARG A 31 0.788 17.943 15.588 1.00 16.98 C ATOM 509 CG ARG A 31 0.805 16.922 16.688 1.00 17.63 C ATOM 510 CD ARG A 31 -0.369 17.134 17.632 1.00 18.66 C ATOM 511 NE ARG A 31 -0.376 16.117 18.676 1.00 20.58 N ATOM 512 CZ ARG A 31 0.222 16.233 19.857 1.00 18.07 C ATOM 513 NH1 ARG A 31 0.878 17.347 20.184 1.00 23.22 N ATOM 514 NH2 ARG A 31 0.143 15.229 20.725 1.00 29.84 N ATOM 515 HA ARG A 31 2.021 18.985 14.213 1.00 0.00 H ATOM 516 HB2 ARG A 31 0.505 18.903 16.019 1.00 0.00 H ATOM 517 HB3 ARG A 31 0.040 17.641 14.855 1.00 0.00 H ATOM 518 HG2 ARG A 31 0.740 15.925 16.253 1.00 0.00 H ATOM 519 HG3 ARG A 31 1.736 17.013 17.247 1.00 0.00 H ATOM 520 HD2 ARG A 31 -1.299 17.074 17.067 1.00 0.00 H ATOM 521 HD3 ARG A 31 -0.287 18.119 18.091 1.00 0.00 H ATOM 522 HE ARG A 31 -0.888 15.233 18.482 1.00 0.00 H ATOM 523 HH12 ARG A 31 1.341 17.424 21.112 1.00 0.00 H ATOM 524 HH11 ARG A 31 0.926 18.139 19.511 1.00 0.00 H ATOM 525 HH22 ARG A 31 0.606 15.306 21.653 1.00 0.00 H ATOM 526 HH21 ARG A 31 -0.382 14.366 20.476 1.00 0.00 H ATOM 527 H ARG A 31 2.995 16.180 14.416 1.00 0.00 H ATOM 528 N PRO A 32 3.346 19.635 16.290 1.00 10.27 N ATOM 529 CA PRO A 32 4.334 19.923 17.316 1.00 10.89 C ATOM 530 C PRO A 32 3.871 19.339 18.629 1.00 12.41 C ATOM 531 O PRO A 32 2.666 19.213 18.861 1.00 13.74 O ATOM 532 CB PRO A 32 4.328 21.462 17.392 1.00 11.52 C ATOM 533 CG PRO A 32 3.511 21.938 16.242 1.00 12.98 C ATOM 534 CD PRO A 32 2.549 20.828 15.964 1.00 12.33 C ATOM 535 HA PRO A 32 5.321 19.511 17.104 1.00 0.00 H ATOM 536 HD3 PRO A 32 1.667 20.900 16.601 1.00 0.00 H ATOM 537 HD2 PRO A 32 2.241 20.824 14.918 1.00 0.00 H ATOM 538 HG3 PRO A 32 4.143 22.124 15.374 1.00 0.00 H ATOM 539 HG2 PRO A 32 2.977 22.852 16.503 1.00 0.00 H ATOM 540 HB2 PRO A 32 3.884 21.791 18.332 1.00 0.00 H ATOM 541 HB3 PRO A 32 5.345 21.847 17.317 1.00 0.00 H ATOM 542 N ILE A 33 4.812 18.969 19.484 1.00 13.04 N ATOM 543 CA ILE A 33 4.454 18.639 20.853 1.00 14.78 C ATOM 544 C ILE A 33 4.851 19.808 21.724 1.00 15.96 C ATOM 545 O ILE A 33 5.693 20.617 21.338 1.00 21.70 O ATOM 546 CB ILE A 33 5.109 17.349 21.338 1.00 19.55 C ATOM 547 CG1 ILE A 33 6.628 17.481 21.347 1.00 20.89 C ATOM 548 CG2 ILE A 33 4.675 16.183 20.458 1.00 25.17 C ATOM 549 CD1 ILE A 33 7.310 16.380 22.121 1.00 25.41 C ATOM 550 HA ILE A 33 3.380 18.461 20.908 1.00 0.00 H ATOM 551 HB ILE A 33 4.785 17.157 22.361 1.00 0.00 H ATOM 552 HG12 ILE A 33 6.985 17.455 20.318 1.00 0.00 H ATOM 553 HG13 ILE A 33 6.891 18.438 21.798 1.00 0.00 H ATOM 554 HD11 ILE A 33 6.969 16.400 23.156 1.00 0.00 H ATOM 555 HD12 ILE A 33 7.063 15.417 21.674 1.00 0.00 H ATOM 556 HD13 ILE A 33 8.389 16.530 22.090 1.00 0.00 H ATOM 557 HG21 ILE A 33 3.591 16.077 20.507 1.00 0.00 H ATOM 558 HG22 ILE A 33 4.977 16.375 19.428 1.00 0.00 H ATOM 559 HG23 ILE A 33 5.148 15.267 20.812 1.00 0.00 H ATOM 560 H ILE A 33 5.804 18.915 19.177 1.00 0.00 H ATOM 561 N THR A 34 4.249 19.894 22.902 1.00 18.85 N ATOM 562 CA THR A 34 4.519 21.002 23.798 1.00 23.77 C ATOM 563 C THR A 34 5.985 21.056 24.206 1.00 26.25 C ATOM 564 O THR A 34 6.509 20.139 24.845 1.00 30.82 O ATOM 565 CB THR A 34 3.634 20.921 25.039 1.00 20.19 C ATOM 566 OG1 THR A 34 2.263 20.905 24.622 1.00 23.22 O ATOM 567 CG2 THR A 34 3.879 22.108 25.954 1.00 31.02 C ATOM 568 HA THR A 34 4.288 21.918 23.255 1.00 0.00 H ATOM 569 HB THR A 34 3.872 20.012 25.592 1.00 0.00 H ATOM 570 HG1 THR A 34 1.678 20.853 25.419 1.00 0.00 H ATOM 571 HG23 THR A 34 4.923 22.114 26.267 1.00 0.00 H ATOM 572 HG21 THR A 34 3.653 23.030 25.419 1.00 0.00 H ATOM 573 HG22 THR A 34 3.236 22.028 26.830 1.00 0.00 H ATOM 574 H THR A 34 3.574 19.157 23.188 1.00 0.00 H ATOM 575 N THR A 35 6.631 22.144 23.803 1.00 33.80 N ATOM 576 CA THR A 35 7.967 22.486 24.253 1.00 32.95 C ATOM 577 C THR A 35 7.847 23.856 24.900 1.00 38.83 C ATOM 578 O THR A 35 6.844 24.548 24.708 1.00 44.98 O ATOM 579 CB THR A 35 8.971 22.551 23.084 1.00 21.65 C ATOM 580 OG1 THR A 35 8.531 23.517 22.118 1.00 29.66 O ATOM 581 CG2 THR A 35 9.111 21.187 22.404 1.00 25.01 C ATOM 582 HA THR A 35 8.341 21.728 24.941 1.00 0.00 H ATOM 583 HB THR A 35 9.941 22.843 23.487 1.00 0.00 H ATOM 584 HG1 THR A 35 7.641 23.254 21.772 1.00 0.00 H ATOM 585 HG23 THR A 35 9.445 20.451 23.135 1.00 0.00 H ATOM 586 HG21 THR A 35 8.146 20.885 21.997 1.00 0.00 H ATOM 587 HG22 THR A 35 9.841 21.258 21.598 1.00 0.00 H ATOM 588 H THR A 35 6.156 22.782 23.132 1.00 0.00 H ATOM 589 N GLY A 36 8.855 24.247 25.669 1.00 47.45 N ATOM 590 CA GLY A 36 8.843 25.535 26.337 1.00 48.44 C ATOM 591 C GLY A 36 10.002 26.398 25.890 1.00 52.04 C ATOM 592 O GLY A 36 9.814 27.414 25.218 1.00 56.95 O ATOM 593 HA3 GLY A 36 8.912 25.378 27.413 1.00 0.00 H ATOM 594 HA2 GLY A 36 7.909 26.047 26.105 1.00 0.00 H ATOM 595 H GLY A 36 9.672 23.616 25.796 1.00 0.00 H ATOM 596 N ASN A 37 11.205 25.978 26.268 1.00 53.56 N ATOM 597 CA ASN A 37 12.424 26.717 25.970 1.00 49.18 C ATOM 598 C ASN A 37 13.430 25.793 25.308 1.00 47.57 C ATOM 599 O ASN A 37 14.594 25.718 25.701 1.00 46.07 O ATOM 600 CB ASN A 37 12.994 27.302 27.257 1.00 47.81 C ATOM 601 CG ASN A 37 11.912 27.734 28.213 1.00 49.59 C ATOM 602 OD1 ASN A 37 11.341 28.810 28.064 1.00 48.28 O ATOM 603 ND2 ASN A 37 11.604 26.885 29.190 1.00 52.38 N ATOM 604 HA ASN A 37 12.201 27.535 25.285 1.00 0.00 H ATOM 605 HB2 ASN A 37 13.612 26.547 27.743 1.00 0.00 H ATOM 606 HB3 ASN A 37 13.609 28.167 27.008 1.00 0.00 H ATOM 607 HD22 ASN A 37 12.116 25.984 29.276 1.00 0.00 H ATOM 608 HD21 ASN A 37 10.851 27.122 29.867 1.00 0.00 H ATOM 609 H ASN A 37 11.279 25.086 26.798 1.00 0.00 H ATOM 610 N SER A 38 12.947 25.085 24.295 1.00 48.55 N ATOM 611 CA SER A 38 13.736 24.117 23.557 1.00 43.68 C ATOM 612 C SER A 38 13.428 24.353 22.091 1.00 35.12 C ATOM 613 O SER A 38 12.511 25.112 21.776 1.00 36.47 O ATOM 614 CB SER A 38 13.320 22.702 23.961 1.00 46.60 C ATOM 615 OG SER A 38 13.343 22.546 25.370 1.00 50.08 O ATOM 616 HA SER A 38 14.802 24.224 23.760 1.00 0.00 H ATOM 617 HB2 SER A 38 14.009 21.986 23.512 1.00 0.00 H ATOM 618 HB3 SER A 38 12.310 22.510 23.598 1.00 0.00 H ATOM 619 HG SER A 38 13.070 21.623 25.603 1.00 0.00 H ATOM 620 H SER A 38 11.956 25.231 24.017 1.00 0.00 H ATOM 621 N PRO A 39 14.188 23.720 21.181 1.00 33.88 N ATOM 622 CA PRO A 39 13.685 23.771 19.806 1.00 29.19 C ATOM 623 C PRO A 39 12.335 23.072 19.754 1.00 23.29 C ATOM 624 O PRO A 39 12.049 22.250 20.627 1.00 26.45 O ATOM 625 CB PRO A 39 14.742 22.993 19.005 1.00 29.86 C ATOM 626 CG PRO A 39 15.462 22.165 20.014 1.00 30.27 C ATOM 627 CD PRO A 39 15.444 22.960 21.286 1.00 30.87 C ATOM 628 HA PRO A 39 13.541 24.780 19.419 1.00 0.00 H ATOM 629 HD3 PRO A 39 15.435 22.306 22.158 1.00 0.00 H ATOM 630 HD2 PRO A 39 16.303 23.628 21.344 1.00 0.00 H ATOM 631 HG3 PRO A 39 16.488 21.984 19.694 1.00 0.00 H ATOM 632 HG2 PRO A 39 14.953 21.211 20.155 1.00 0.00 H ATOM 633 HB2 PRO A 39 14.266 22.358 18.258 1.00 0.00 H ATOM 634 HB3 PRO A 39 15.430 23.679 18.511 1.00 0.00 H ATOM 635 N PRO A 40 11.498 23.407 18.764 1.00 25.36 N ATOM 636 CA PRO A 40 10.258 22.642 18.703 1.00 17.63 C ATOM 637 C PRO A 40 10.557 21.179 18.420 1.00 14.13 C ATOM 638 O PRO A 40 11.635 20.841 17.931 1.00 15.22 O ATOM 639 CB PRO A 40 9.514 23.269 17.523 1.00 25.40 C ATOM 640 CG PRO A 40 10.579 23.872 16.682 1.00 27.36 C ATOM 641 CD PRO A 40 11.622 24.352 17.643 1.00 29.00 C ATOM 642 HA PRO A 40 9.689 22.670 19.632 1.00 0.00 H ATOM 643 HD3 PRO A 40 12.616 24.305 17.199 1.00 0.00 H ATOM 644 HD2 PRO A 40 11.418 25.373 17.966 1.00 0.00 H ATOM 645 HG3 PRO A 40 10.182 24.705 16.103 1.00 0.00 H ATOM 646 HG2 PRO A 40 10.998 23.128 16.005 1.00 0.00 H ATOM 647 HB2 PRO A 40 8.968 22.509 16.965 1.00 0.00 H ATOM 648 HB3 PRO A 40 8.818 24.033 17.869 1.00 0.00 H ATOM 649 N ARG A 41 9.602 20.325 18.756 1.00 13.65 N ATOM 650 CA ARG A 41 9.700 18.900 18.469 1.00 12.50 C ATOM 651 C ARG A 41 8.419 18.450 17.804 1.00 14.14 C ATOM 652 O ARG A 41 7.332 18.904 18.180 1.00 17.37 O ATOM 653 CB ARG A 41 9.922 18.100 19.744 1.00 17.50 C ATOM 654 CG ARG A 41 11.228 18.417 20.443 1.00 25.80 C ATOM 655 CD ARG A 41 11.751 17.185 21.154 1.00 31.04 C ATOM 656 NE ARG A 41 12.155 16.168 20.184 1.00 26.48 N ATOM 657 CZ ARG A 41 13.383 15.673 20.057 1.00 25.73 C ATOM 658 NH1 ARG A 41 14.369 16.061 20.861 1.00 32.41 N ATOM 659 NH2 ARG A 41 13.620 14.764 19.121 1.00 23.59 N ATOM 660 HA ARG A 41 10.551 18.729 17.810 1.00 0.00 H ATOM 661 HB2 ARG A 41 9.103 18.313 20.431 1.00 0.00 H ATOM 662 HB3 ARG A 41 9.916 17.040 19.491 1.00 0.00 H ATOM 663 HG2 ARG A 41 11.961 18.747 19.706 1.00 0.00 H ATOM 664 HG3 ARG A 41 11.064 19.211 21.171 1.00 0.00 H ATOM 665 HD2 ARG A 41 10.967 16.780 21.794 1.00 0.00 H ATOM 666 HD3 ARG A 41 12.611 17.461 21.765 1.00 0.00 H ATOM 667 HE ARG A 41 11.423 15.802 19.542 1.00 0.00 H ATOM 668 HH12 ARG A 41 15.322 15.662 20.745 1.00 0.00 H ATOM 669 HH11 ARG A 41 14.187 16.764 21.606 1.00 0.00 H ATOM 670 HH22 ARG A 41 14.575 14.368 19.010 1.00 0.00 H ATOM 671 HH21 ARG A 41 12.850 14.447 18.498 1.00 0.00 H ATOM 672 H ARG A 41 8.754 20.683 19.241 1.00 0.00 H ATOM 673 N TYR A 42 8.550 17.569 16.816 1.00 10.03 N ATOM 674 CA TYR A 42 7.406 17.098 16.057 1.00 8.95 C ATOM 675 C TYR A 42 7.130 15.621 16.274 1.00 10.13 C ATOM 676 O TYR A 42 8.044 14.790 16.275 1.00 12.62 O ATOM 677 CB TYR A 42 7.604 17.374 14.563 1.00 8.78 C ATOM 678 CG TYR A 42 7.759 18.842 14.264 1.00 9.06 C ATOM 679 CD1 TYR A 42 6.659 19.679 14.231 1.00 11.31 C ATOM 680 CD2 TYR A 42 9.013 19.405 14.067 1.00 10.69 C ATOM 681 CE1 TYR A 42 6.800 21.019 13.985 1.00 11.10 C ATOM 682 CE2 TYR A 42 9.162 20.755 13.812 1.00 11.82 C ATOM 683 CZ TYR A 42 8.050 21.553 13.768 1.00 11.19 C ATOM 684 OH TYR A 42 8.164 22.907 13.534 1.00 14.16 O ATOM 685 HA TYR A 42 6.539 17.650 16.421 1.00 0.00 H ATOM 686 HB3 TYR A 42 6.738 16.996 14.019 1.00 0.00 H ATOM 687 HB2 TYR A 42 8.500 16.852 14.226 1.00 0.00 H ATOM 688 HD2 TYR A 42 9.897 18.770 14.114 1.00 0.00 H ATOM 689 HE2 TYR A 42 10.152 21.179 13.648 1.00 0.00 H ATOM 690 HE1 TYR A 42 5.921 21.663 13.961 1.00 0.00 H ATOM 691 HD1 TYR A 42 5.665 19.266 14.403 1.00 0.00 H ATOM 692 HH TYR A 42 8.718 23.318 14.244 1.00 0.00 H ATOM 693 H TYR A 42 9.497 17.208 16.581 1.00 0.00 H ATOM 694 N ARG A 43 5.847 15.322 16.459 1.00 8.53 N ATOM 695 CA ARG A 43 5.336 13.959 16.535 1.00 8.55 C ATOM 696 C ARG A 43 4.677 13.632 15.204 1.00 6.85 C ATOM 697 O ARG A 43 4.030 14.515 14.587 1.00 11.46 O ATOM 698 CB ARG A 43 4.312 13.857 17.670 1.00 8.79 C ATOM 699 CG ARG A 43 3.802 12.465 17.976 1.00 7.79 C ATOM 700 CD ARG A 43 2.945 12.495 19.227 1.00 14.44 C ATOM 701 NE ARG A 43 2.322 11.210 19.513 1.00 15.53 N ATOM 702 CZ ARG A 43 1.516 10.984 20.543 1.00 19.38 C ATOM 703 NH1 ARG A 43 1.234 11.959 21.398 1.00 24.07 N ATOM 704 NH2 ARG A 43 0.992 9.780 20.720 1.00 24.05 N ATOM 705 HA ARG A 43 6.144 13.256 16.736 1.00 0.00 H ATOM 706 HB2 ARG A 43 4.776 14.250 18.575 1.00 0.00 H ATOM 707 HB3 ARG A 43 3.455 14.476 17.404 1.00 0.00 H ATOM 708 HG2 ARG A 43 3.206 12.105 17.137 1.00 0.00 H ATOM 709 HG3 ARG A 43 4.648 11.796 18.133 1.00 0.00 H ATOM 710 HD2 ARG A 43 2.161 13.241 19.095 1.00 0.00 H ATOM 711 HD3 ARG A 43 3.573 12.775 20.073 1.00 0.00 H ATOM 712 HE ARG A 43 2.522 10.418 18.869 1.00 0.00 H ATOM 713 HH12 ARG A 43 0.602 11.777 22.204 1.00 0.00 H ATOM 714 HH11 ARG A 43 1.645 12.905 21.262 1.00 0.00 H ATOM 715 HH22 ARG A 43 0.360 9.601 21.527 1.00 0.00 H ATOM 716 HH21 ARG A 43 1.212 9.014 20.052 1.00 0.00 H ATOM 717 H ARG A 43 5.170 16.106 16.555 1.00 0.00 H ATOM 718 N LEU A 44 4.841 12.378 14.759 1.00 8.25 N ATOM 719 CA LEU A 44 4.249 11.931 13.502 1.00 7.68 C ATOM 720 C LEU A 44 3.371 10.714 13.693 1.00 7.93 C ATOM 721 O LEU A 44 3.749 9.746 14.376 1.00 10.57 O ATOM 722 CB LEU A 44 5.326 11.594 12.470 1.00 9.77 C ATOM 723 CG LEU A 44 6.217 12.750 12.033 1.00 13.22 C ATOM 724 CD1 LEU A 44 7.368 12.966 12.997 1.00 22.48 C ATOM 725 CD2 LEU A 44 6.748 12.497 10.638 1.00 14.84 C ATOM 726 HA LEU A 44 3.639 12.759 13.142 1.00 0.00 H ATOM 727 HB2 LEU A 44 5.966 10.821 12.896 1.00 0.00 H ATOM 728 HB3 LEU A 44 4.828 11.203 11.583 1.00 0.00 H ATOM 729 HG LEU A 44 5.610 13.656 12.032 1.00 0.00 H ATOM 730 HD21 LEU A 44 7.329 11.575 10.633 1.00 0.00 H ATOM 731 HD22 LEU A 44 5.913 12.405 9.944 1.00 0.00 H ATOM 732 HD23 LEU A 44 7.383 13.329 10.336 1.00 0.00 H ATOM 733 HD11 LEU A 44 6.973 13.192 13.988 1.00 0.00 H ATOM 734 HD12 LEU A 44 7.976 12.062 13.044 1.00 0.00 H ATOM 735 HD13 LEU A 44 7.980 13.799 12.650 1.00 0.00 H ATOM 736 H LEU A 44 5.403 11.708 15.322 1.00 0.00 H ATOM 737 N LEU A 45 2.213 10.767 13.046 1.00 7.84 N ATOM 738 CA LEU A 45 1.361 9.603 12.872 1.00 7.45 C ATOM 739 C LEU A 45 1.746 9.063 11.505 1.00 6.49 C ATOM 740 O LEU A 45 1.540 9.748 10.491 1.00 7.64 O ATOM 741 CB LEU A 45 -0.107 10.020 12.883 1.00 9.55 C ATOM 742 CG LEU A 45 -1.134 8.917 12.608 1.00 10.58 C ATOM 743 CD1 LEU A 45 -1.160 7.883 13.739 1.00 10.68 C ATOM 744 CD2 LEU A 45 -2.521 9.518 12.401 1.00 11.23 C ATOM 745 HA LEU A 45 1.486 8.865 13.665 1.00 0.00 H ATOM 746 HB2 LEU A 45 -0.325 10.438 13.866 1.00 0.00 H ATOM 747 HB3 LEU A 45 -0.238 10.791 12.124 1.00 0.00 H ATOM 748 HG LEU A 45 -0.835 8.404 11.694 1.00 0.00 H ATOM 749 HD21 LEU A 45 -2.817 10.063 13.297 1.00 0.00 H ATOM 750 HD22 LEU A 45 -2.497 10.200 11.551 1.00 0.00 H ATOM 751 HD23 LEU A 45 -3.237 8.719 12.207 1.00 0.00 H ATOM 752 HD11 LEU A 45 -0.176 7.424 13.833 1.00 0.00 H ATOM 753 HD12 LEU A 45 -1.423 8.376 14.675 1.00 0.00 H ATOM 754 HD13 LEU A 45 -1.899 7.115 13.511 1.00 0.00 H ATOM 755 H LEU A 45 1.904 11.677 12.648 1.00 0.00 H ATOM 756 N MET A 46 2.329 7.859 11.498 1.00 6.54 N ATOM 757 CA MET A 46 2.765 7.257 10.242 1.00 6.54 C ATOM 758 C MET A 46 2.093 5.925 10.000 1.00 6.25 C ATOM 759 O MET A 46 1.553 5.299 10.911 1.00 8.33 O ATOM 760 CB MET A 46 4.281 7.094 10.209 1.00 12.61 C ATOM 761 CG MET A 46 5.011 8.390 10.487 1.00 10.02 C ATOM 762 SD MET A 46 6.793 8.224 10.398 1.00 10.35 S ATOM 763 CE MET A 46 7.075 8.436 8.647 1.00 12.14 C ATOM 764 HA MET A 46 2.470 7.936 9.442 1.00 0.00 H ATOM 765 HB2 MET A 46 4.570 6.361 10.962 1.00 0.00 H ATOM 766 HB3 MET A 46 4.572 6.733 9.223 1.00 0.00 H ATOM 767 HG2 MET A 46 4.743 8.732 11.487 1.00 0.00 H ATOM 768 HG3 MET A 46 4.694 9.132 9.754 1.00 0.00 H ATOM 769 HE1 MET A 46 6.539 7.662 8.098 1.00 0.00 H ATOM 770 HE2 MET A 46 6.715 9.417 8.338 1.00 0.00 H ATOM 771 HE3 MET A 46 8.142 8.358 8.440 1.00 0.00 H ATOM 772 H MET A 46 2.472 7.349 12.393 1.00 0.00 H ATOM 773 N SER A 47 2.129 5.519 8.741 1.00 6.12 N ATOM 774 CA SER A 47 1.468 4.322 8.261 1.00 6.58 C ATOM 775 C SER A 47 2.417 3.443 7.467 1.00 5.39 C ATOM 776 O SER A 47 3.198 3.940 6.665 1.00 7.03 O ATOM 777 CB SER A 47 0.325 4.731 7.350 1.00 7.36 C ATOM 778 OG SER A 47 -0.220 3.600 6.684 1.00 8.75 O ATOM 779 HA SER A 47 1.110 3.760 9.124 1.00 0.00 H ATOM 780 HB2 SER A 47 0.695 5.439 6.608 1.00 0.00 H ATOM 781 HB3 SER A 47 -0.455 5.205 7.946 1.00 0.00 H ATOM 782 HG SER A 47 -0.962 3.890 6.097 1.00 0.00 H ATOM 783 H SER A 47 2.662 6.092 8.056 1.00 0.00 H ATOM 784 N ASP A 48 2.303 2.132 7.647 1.00 7.40 N ATOM 785 CA ASP A 48 3.013 1.178 6.795 1.00 8.00 C ATOM 786 C ASP A 48 2.046 0.483 5.840 1.00 10.15 C ATOM 787 O ASP A 48 2.416 -0.504 5.217 1.00 11.74 O ATOM 788 CB ASP A 48 3.809 0.152 7.621 1.00 9.63 C ATOM 789 CG ASP A 48 2.924 -0.834 8.372 1.00 10.20 C ATOM 790 OD1 ASP A 48 1.680 -0.718 8.325 1.00 10.72 O ATOM 791 OD2 ASP A 48 3.503 -1.732 9.024 1.00 10.78 O ATOM 792 HA ASP A 48 3.734 1.741 6.203 1.00 0.00 H ATOM 793 HB2 ASP A 48 4.456 -0.408 6.946 1.00 0.00 H ATOM 794 HB3 ASP A 48 4.420 0.690 8.346 1.00 0.00 H ATOM 795 H ASP A 48 1.695 1.775 8.412 1.00 0.00 H ATOM 796 N GLY A 49 0.817 0.991 5.729 1.00 10.11 N ATOM 797 CA GLY A 49 -0.191 0.364 4.890 1.00 11.79 C ATOM 798 C GLY A 49 -1.127 -0.596 5.617 1.00 14.71 C ATOM 799 O GLY A 49 -2.268 -0.789 5.180 1.00 19.10 O ATOM 800 HA3 GLY A 49 0.320 -0.192 4.104 1.00 0.00 H ATOM 801 HA2 GLY A 49 -0.796 1.152 4.441 1.00 0.00 H ATOM 802 H GLY A 49 0.575 1.855 6.255 1.00 0.00 H ATOM 803 N LEU A 50 -0.652 -1.221 6.692 1.00 12.16 N ATOM 804 CA LEU A 50 -1.480 -2.103 7.519 1.00 13.56 C ATOM 805 C LEU A 50 -1.863 -1.427 8.814 1.00 10.07 C ATOM 806 O LEU A 50 -3.008 -1.532 9.270 1.00 11.72 O ATOM 807 CB LEU A 50 -0.722 -3.371 7.892 1.00 14.77 C ATOM 808 CG LEU A 50 -0.390 -4.360 6.785 1.00 17.79 C ATOM 809 CD1 LEU A 50 0.310 -5.566 7.403 1.00 18.78 C ATOM 810 CD2 LEU A 50 -1.637 -4.771 6.026 1.00 17.31 C ATOM 811 HA LEU A 50 -2.366 -2.341 6.930 1.00 0.00 H ATOM 812 HB2 LEU A 50 0.221 -3.063 8.345 1.00 0.00 H ATOM 813 HB3 LEU A 50 -1.322 -3.902 8.631 1.00 0.00 H ATOM 814 HG LEU A 50 0.275 -3.889 6.061 1.00 0.00 H ATOM 815 HD21 LEU A 50 -2.341 -5.240 6.713 1.00 0.00 H ATOM 816 HD22 LEU A 50 -2.096 -3.889 5.579 1.00 0.00 H ATOM 817 HD23 LEU A 50 -1.367 -5.478 5.242 1.00 0.00 H ATOM 818 HD11 LEU A 50 1.225 -5.240 7.896 1.00 0.00 H ATOM 819 HD12 LEU A 50 -0.351 -6.033 8.133 1.00 0.00 H ATOM 820 HD13 LEU A 50 0.554 -6.284 6.620 1.00 0.00 H ATOM 821 H LEU A 50 0.344 -1.078 6.955 1.00 0.00 H ATOM 822 N ASN A 51 -0.874 -0.782 9.430 1.00 10.49 N ATOM 823 CA ASN A 51 -1.054 -0.115 10.701 1.00 9.10 C ATOM 824 C ASN A 51 -0.658 1.349 10.625 1.00 7.97 C ATOM 825 O ASN A 51 0.198 1.732 9.818 1.00 8.49 O ATOM 826 CB ASN A 51 -0.157 -0.740 11.779 1.00 9.82 C ATOM 827 CG ASN A 51 -0.630 -2.089 12.250 1.00 11.78 C ATOM 828 OD1 ASN A 51 0.106 -3.066 12.155 1.00 12.73 O ATOM 829 ND2 ASN A 51 -1.832 -2.142 12.810 1.00 13.45 N ATOM 830 HA ASN A 51 -2.111 -0.220 10.948 1.00 0.00 H ATOM 831 HB2 ASN A 51 0.847 -0.850 11.370 1.00 0.00 H ATOM 832 HB3 ASN A 51 -0.127 -0.067 12.636 1.00 0.00 H ATOM 833 HD22 ASN A 51 -2.418 -1.285 12.866 1.00 0.00 H ATOM 834 HD21 ASN A 51 -2.188 -3.041 13.193 1.00 0.00 H ATOM 835 H ASN A 51 0.063 -0.757 8.980 1.00 0.00 H ATOM 836 N THR A 52 -1.236 2.150 11.518 1.00 9.17 N ATOM 837 CA THR A 52 -0.689 3.450 11.865 1.00 8.45 C ATOM 838 C THR A 52 -0.084 3.373 13.259 1.00 9.53 C ATOM 839 O THR A 52 -0.437 2.506 14.078 1.00 11.97 O ATOM 840 CB THR A 52 -1.764 4.564 11.843 1.00 10.46 C ATOM 841 OG1 THR A 52 -2.801 4.253 12.779 1.00 12.04 O ATOM 842 CG2 THR A 52 -2.372 4.720 10.458 1.00 12.53 C ATOM 843 HA THR A 52 0.066 3.704 11.121 1.00 0.00 H ATOM 844 HB THR A 52 -1.280 5.502 12.116 1.00 0.00 H ATOM 845 HG1 THR A 52 -3.485 4.968 12.761 1.00 0.00 H ATOM 846 HG23 THR A 52 -1.585 4.957 9.742 1.00 0.00 H ATOM 847 HG21 THR A 52 -2.859 3.789 10.169 1.00 0.00 H ATOM 848 HG22 THR A 52 -3.106 5.526 10.473 1.00 0.00 H ATOM 849 H THR A 52 -2.110 1.833 11.984 1.00 0.00 H ATOM 850 N LEU A 53 0.824 4.294 13.535 1.00 9.68 N ATOM 851 CA LEU A 53 1.452 4.406 14.841 1.00 9.81 C ATOM 852 C LEU A 53 1.737 5.877 15.081 1.00 7.48 C ATOM 853 O LEU A 53 2.288 6.538 14.205 1.00 8.44 O ATOM 854 CB LEU A 53 2.763 3.626 14.864 1.00 13.05 C ATOM 855 CG LEU A 53 3.454 3.442 16.212 1.00 15.77 C ATOM 856 CD1 LEU A 53 2.717 2.407 17.038 1.00 26.17 C ATOM 857 CD2 LEU A 53 4.891 3.017 16.004 1.00 18.88 C ATOM 858 HA LEU A 53 0.798 4.001 15.613 1.00 0.00 H ATOM 859 HB2 LEU A 53 2.559 2.633 14.464 1.00 0.00 H ATOM 860 HB3 LEU A 53 3.462 4.144 14.207 1.00 0.00 H ATOM 861 HG LEU A 53 3.442 4.391 16.748 1.00 0.00 H ATOM 862 HD21 LEU A 53 4.914 2.074 15.457 1.00 0.00 H ATOM 863 HD22 LEU A 53 5.416 3.783 15.433 1.00 0.00 H ATOM 864 HD23 LEU A 53 5.374 2.889 16.972 1.00 0.00 H ATOM 865 HD11 LEU A 53 1.692 2.739 17.203 1.00 0.00 H ATOM 866 HD12 LEU A 53 2.711 1.456 16.505 1.00 0.00 H ATOM 867 HD13 LEU A 53 3.220 2.285 17.997 1.00 0.00 H ATOM 868 H LEU A 53 1.099 4.964 12.789 1.00 0.00 H ATOM 869 N SER A 54 1.391 6.374 16.266 1.00 11.79 N ATOM 870 CA SER A 54 1.503 7.794 16.575 1.00 13.85 C ATOM 871 C SER A 54 2.733 8.131 17.413 1.00 12.85 C ATOM 872 O SER A 54 2.938 9.294 17.751 1.00 14.11 O ATOM 873 CB SER A 54 0.271 8.239 17.366 1.00 19.49 C ATOM 874 OG SER A 54 0.208 7.533 18.588 1.00 26.80 O ATOM 875 HA SER A 54 1.588 8.312 15.619 1.00 0.00 H ATOM 876 HB2 SER A 54 -0.627 8.035 16.783 1.00 0.00 H ATOM 877 HB3 SER A 54 0.337 9.308 17.568 1.00 0.00 H ATOM 878 HG SER A 54 0.147 6.562 18.404 1.00 0.00 H ATOM 879 H SER A 54 1.029 5.728 16.996 1.00 0.00 H ATOM 880 N SER A 55 3.558 7.135 17.720 1.00 9.54 N ATOM 881 CA SER A 55 4.670 7.341 18.652 1.00 11.92 C ATOM 882 C SER A 55 6.006 7.614 17.956 1.00 10.23 C ATOM 883 O SER A 55 7.069 7.380 18.511 1.00 13.93 O ATOM 884 CB SER A 55 4.791 6.179 19.654 1.00 19.30 C ATOM 885 OG SER A 55 4.149 4.999 19.208 1.00 13.98 O ATOM 886 HA SER A 55 4.427 8.247 19.207 1.00 0.00 H ATOM 887 HB2 SER A 55 4.340 6.485 20.598 1.00 0.00 H ATOM 888 HB3 SER A 55 5.848 5.963 19.810 1.00 0.00 H ATOM 889 HG SER A 55 4.258 4.288 19.888 1.00 0.00 H ATOM 890 H SER A 55 3.412 6.198 17.293 1.00 0.00 H ATOM 891 N PHE A 56 5.948 8.156 16.753 1.00 10.23 N ATOM 892 CA PHE A 56 7.150 8.596 16.055 1.00 9.68 C ATOM 893 C PHE A 56 7.453 10.041 16.426 1.00 9.80 C ATOM 894 O PHE A 56 6.550 10.883 16.503 1.00 11.79 O ATOM 895 CB PHE A 56 6.954 8.526 14.547 1.00 9.07 C ATOM 896 CG PHE A 56 6.917 7.128 13.996 1.00 9.24 C ATOM 897 CD1 PHE A 56 8.084 6.476 13.649 1.00 9.88 C ATOM 898 CD2 PHE A 56 5.713 6.484 13.785 1.00 13.77 C ATOM 899 CE1 PHE A 56 8.048 5.202 13.113 1.00 11.51 C ATOM 900 CE2 PHE A 56 5.675 5.213 13.261 1.00 19.19 C ATOM 901 CZ PHE A 56 6.844 4.573 12.920 1.00 14.43 C ATOM 902 HA PHE A 56 7.971 7.941 16.347 1.00 0.00 H ATOM 903 HB2 PHE A 56 6.012 9.016 14.301 1.00 0.00 H ATOM 904 HB3 PHE A 56 7.775 9.060 14.070 1.00 0.00 H ATOM 905 HD2 PHE A 56 4.781 6.990 14.037 1.00 0.00 H ATOM 906 HE2 PHE A 56 4.718 4.712 13.116 1.00 0.00 H ATOM 907 HZ PHE A 56 6.814 3.569 12.498 1.00 0.00 H ATOM 908 HE1 PHE A 56 8.976 4.697 12.844 1.00 0.00 H ATOM 909 HD1 PHE A 56 9.043 6.971 13.799 1.00 0.00 H ATOM 910 H PHE A 56 5.023 8.272 16.293 1.00 0.00 H ATOM 911 N MET A 57 8.731 10.302 16.682 1.00 9.41 N ATOM 912 CA MET A 57 9.212 11.652 16.906 1.00 11.07 C ATOM 913 C MET A 57 10.362 11.958 15.972 1.00 9.84 C ATOM 914 O MET A 57 11.197 11.113 15.689 1.00 12.12 O ATOM 915 CB MET A 57 9.705 11.822 18.327 1.00 15.96 C ATOM 916 CG MET A 57 8.605 11.708 19.356 1.00 26.14 C ATOM 917 SD MET A 57 8.762 12.753 20.817 1.00 33.50 S ATOM 918 CE MET A 57 10.262 13.702 20.515 1.00 24.23 C ATOM 919 HA MET A 57 8.380 12.332 16.722 1.00 0.00 H ATOM 920 HB2 MET A 57 10.450 11.053 18.530 1.00 0.00 H ATOM 921 HB3 MET A 57 10.165 12.806 18.419 1.00 0.00 H ATOM 922 HG2 MET A 57 8.571 10.671 19.692 1.00 0.00 H ATOM 923 HG3 MET A 57 7.665 11.961 18.866 1.00 0.00 H ATOM 924 HE1 MET A 57 11.105 13.021 20.404 1.00 0.00 H ATOM 925 HE2 MET A 57 10.143 14.286 19.602 1.00 0.00 H ATOM 926 HE3 MET A 57 10.442 14.372 21.356 1.00 0.00 H ATOM 927 H MET A 57 9.408 9.513 16.723 1.00 0.00 H ATOM 928 N LEU A 58 10.388 13.180 15.477 1.00 9.65 N ATOM 929 CA LEU A 58 11.434 13.593 14.575 1.00 11.72 C ATOM 930 C LEU A 58 12.637 14.060 15.381 1.00 10.98 C ATOM 931 O LEU A 58 12.483 14.831 16.329 1.00 12.45 O ATOM 932 CB LEU A 58 10.901 14.730 13.722 1.00 12.90 C ATOM 933 CG LEU A 58 11.575 14.972 12.397 1.00 19.41 C ATOM 934 CD1 LEU A 58 11.400 13.781 11.454 1.00 17.78 C ATOM 935 CD2 LEU A 58 10.998 16.233 11.796 1.00 17.74 C ATOM 936 HA LEU A 58 11.742 12.765 13.936 1.00 0.00 H ATOM 937 HB2 LEU A 58 9.849 14.525 13.522 1.00 0.00 H ATOM 938 HB3 LEU A 58 10.987 15.646 14.306 1.00 0.00 H ATOM 939 HG LEU A 58 12.648 15.092 12.550 1.00 0.00 H ATOM 940 HD21 LEU A 58 9.925 16.108 11.653 1.00 0.00 H ATOM 941 HD22 LEU A 58 11.181 17.071 12.468 1.00 0.00 H ATOM 942 HD23 LEU A 58 11.474 16.426 10.834 1.00 0.00 H ATOM 943 HD11 LEU A 58 11.839 12.892 11.908 1.00 0.00 H ATOM 944 HD12 LEU A 58 10.338 13.613 11.276 1.00 0.00 H ATOM 945 HD13 LEU A 58 11.899 13.992 10.508 1.00 0.00 H ATOM 946 H LEU A 58 9.643 13.856 15.741 1.00 0.00 H ATOM 947 N ALA A 59 13.835 13.589 15.038 1.00 11.15 N ATOM 948 CA ALA A 59 15.047 14.204 15.578 1.00 12.17 C ATOM 949 C ALA A 59 15.035 15.686 15.214 1.00 11.75 C ATOM 950 O ALA A 59 14.627 16.059 14.120 1.00 11.14 O ATOM 951 CB ALA A 59 16.281 13.524 15.022 1.00 13.18 C ATOM 952 HA ALA A 59 15.071 14.091 16.662 1.00 0.00 H ATOM 953 HB1 ALA A 59 16.267 12.469 15.295 1.00 0.00 H ATOM 954 HB2 ALA A 59 16.289 13.619 13.936 1.00 0.00 H ATOM 955 HB3 ALA A 59 17.172 13.996 15.436 1.00 0.00 H ATOM 956 H ALA A 59 13.908 12.783 14.385 1.00 0.00 H ATOM 957 N THR A 60 15.474 16.536 16.128 1.00 12.11 N ATOM 958 CA THR A 60 15.454 17.979 15.937 1.00 13.84 C ATOM 959 C THR A 60 16.208 18.399 14.666 1.00 13.16 C ATOM 960 O THR A 60 15.848 19.378 13.995 1.00 13.45 O ATOM 961 CB THR A 60 16.062 18.661 17.186 1.00 17.25 C ATOM 962 OG1 THR A 60 15.258 18.355 18.334 1.00 19.12 O ATOM 963 CG2 THR A 60 16.139 20.156 17.016 1.00 16.85 C ATOM 964 HA THR A 60 14.420 18.298 15.809 1.00 0.00 H ATOM 965 HB THR A 60 17.075 18.281 17.320 1.00 0.00 H ATOM 966 HG1 THR A 60 15.237 17.374 18.469 1.00 0.00 H ATOM 967 HG23 THR A 60 16.750 20.390 16.144 1.00 0.00 H ATOM 968 HG21 THR A 60 15.135 20.557 16.876 1.00 0.00 H ATOM 969 HG22 THR A 60 16.588 20.599 17.905 1.00 0.00 H ATOM 970 H THR A 60 15.849 16.157 17.021 1.00 0.00 H ATOM 971 N GLN A 61 17.264 17.655 14.341 1.00 12.39 N ATOM 972 CA GLN A 61 18.057 17.961 13.150 1.00 13.33 C ATOM 973 C GLN A 61 17.236 17.867 11.858 1.00 13.31 C ATOM 974 O GLN A 61 17.618 18.427 10.831 1.00 16.32 O ATOM 975 CB GLN A 61 19.279 17.043 13.066 1.00 15.34 C ATOM 976 CG GLN A 61 18.950 15.584 12.767 1.00 19.02 C ATOM 977 CD GLN A 61 20.128 14.659 13.005 1.00 18.19 C ATOM 978 OE1 GLN A 61 21.170 15.082 13.502 1.00 26.16 O ATOM 979 NE2 GLN A 61 19.968 13.393 12.652 1.00 21.17 N ATOM 980 HA GLN A 61 18.388 18.995 13.249 1.00 0.00 H ATOM 981 HB2 GLN A 61 19.932 17.415 12.276 1.00 0.00 H ATOM 982 HB3 GLN A 61 19.805 17.086 14.020 1.00 0.00 H ATOM 983 HG2 GLN A 61 18.126 15.273 13.410 1.00 0.00 H ATOM 984 HG3 GLN A 61 18.646 15.501 11.723 1.00 0.00 H ATOM 985 HE22 GLN A 61 19.069 13.079 12.235 1.00 0.00 H ATOM 986 HE21 GLN A 61 20.742 12.712 12.792 1.00 0.00 H ATOM 987 H GLN A 61 17.528 16.847 14.941 1.00 0.00 H ATOM 988 N LEU A 62 16.108 17.168 11.909 1.00 11.69 N ATOM 989 CA LEU A 62 15.223 17.053 10.754 1.00 10.96 C ATOM 990 C LEU A 62 14.114 18.102 10.743 1.00 9.48 C ATOM 991 O LEU A 62 13.322 18.133 9.798 1.00 10.04 O ATOM 992 CB LEU A 62 14.592 15.664 10.714 1.00 13.36 C ATOM 993 CG LEU A 62 15.541 14.471 10.586 1.00 16.58 C ATOM 994 CD1 LEU A 62 14.758 13.155 10.471 1.00 19.57 C ATOM 995 CD2 LEU A 62 16.464 14.637 9.407 1.00 20.54 C ATOM 996 HA LEU A 62 15.843 17.221 9.873 1.00 0.00 H ATOM 997 HB2 LEU A 62 14.024 15.535 11.635 1.00 0.00 H ATOM 998 HB3 LEU A 62 13.912 15.636 9.862 1.00 0.00 H ATOM 999 HG LEU A 62 16.147 14.432 11.491 1.00 0.00 H ATOM 1000 HD21 LEU A 62 15.874 14.714 8.494 1.00 0.00 H ATOM 1001 HD22 LEU A 62 17.057 15.543 9.536 1.00 0.00 H ATOM 1002 HD23 LEU A 62 17.127 13.774 9.342 1.00 0.00 H ATOM 1003 HD11 LEU A 62 14.144 13.020 11.361 1.00 0.00 H ATOM 1004 HD12 LEU A 62 14.119 13.190 9.589 1.00 0.00 H ATOM 1005 HD13 LEU A 62 15.458 12.324 10.381 1.00 0.00 H ATOM 1006 H LEU A 62 15.848 16.690 12.795 1.00 0.00 H ATOM 1007 N ASN A 63 14.053 18.963 11.763 1.00 9.35 N ATOM 1008 CA ASN A 63 12.992 19.971 11.809 1.00 10.33 C ATOM 1009 C ASN A 63 12.822 20.796 10.524 1.00 9.89 C ATOM 1010 O ASN A 63 11.692 21.114 10.143 1.00 9.29 O ATOM 1011 CB ASN A 63 13.189 20.919 12.990 1.00 10.05 C ATOM 1012 CG ASN A 63 12.771 20.305 14.304 1.00 9.33 C ATOM 1013 OD1 ASN A 63 12.355 19.132 14.368 1.00 11.14 O ATOM 1014 ND2 ASN A 63 12.892 21.079 15.373 1.00 14.15 N ATOM 1015 HA ASN A 63 12.076 19.392 11.925 1.00 0.00 H ATOM 1016 HB2 ASN A 63 14.244 21.188 13.050 1.00 0.00 H ATOM 1017 HB3 ASN A 63 12.595 21.817 12.820 1.00 0.00 H ATOM 1018 HD22 ASN A 63 13.244 22.053 15.273 1.00 0.00 H ATOM 1019 HD21 ASN A 63 12.635 20.713 16.312 1.00 0.00 H ATOM 1020 H ASN A 63 14.760 18.917 12.525 1.00 0.00 H ATOM 1021 N PRO A 64 13.931 21.144 9.847 1.00 10.00 N ATOM 1022 CA PRO A 64 13.765 21.925 8.617 1.00 10.83 C ATOM 1023 C PRO A 64 12.897 21.234 7.558 1.00 9.14 C ATOM 1024 O PRO A 64 12.239 21.925 6.778 1.00 9.37 O ATOM 1025 CB PRO A 64 15.206 22.100 8.124 1.00 12.47 C ATOM 1026 CG PRO A 64 16.026 22.055 9.377 1.00 14.15 C ATOM 1027 CD PRO A 64 15.354 20.993 10.204 1.00 12.00 C ATOM 1028 HA PRO A 64 13.240 22.862 8.804 1.00 0.00 H ATOM 1029 HD3 PRO A 64 15.721 20.001 9.941 1.00 0.00 H ATOM 1030 HD2 PRO A 64 15.512 21.167 11.268 1.00 0.00 H ATOM 1031 HG3 PRO A 64 16.007 23.017 9.889 1.00 0.00 H ATOM 1032 HG2 PRO A 64 17.058 21.782 9.157 1.00 0.00 H ATOM 1033 HB2 PRO A 64 15.486 21.292 7.448 1.00 0.00 H ATOM 1034 HB3 PRO A 64 15.328 23.056 7.615 1.00 0.00 H ATOM 1035 N LEU A 65 12.863 19.905 7.532 1.00 8.71 N ATOM 1036 CA LEU A 65 12.002 19.211 6.570 1.00 9.10 C ATOM 1037 C LEU A 65 10.537 19.552 6.780 1.00 8.91 C ATOM 1038 O LEU A 65 9.770 19.633 5.821 1.00 10.52 O ATOM 1039 CB LEU A 65 12.174 17.698 6.643 1.00 10.39 C ATOM 1040 CG LEU A 65 13.571 17.140 6.401 1.00 16.01 C ATOM 1041 CD1 LEU A 65 13.537 15.622 6.369 1.00 18.68 C ATOM 1042 CD2 LEU A 65 14.155 17.689 5.123 1.00 23.13 C ATOM 1043 HA LEU A 65 12.312 19.556 5.583 1.00 0.00 H ATOM 1044 HB2 LEU A 65 11.862 17.381 7.638 1.00 0.00 H ATOM 1045 HB3 LEU A 65 11.512 17.257 5.898 1.00 0.00 H ATOM 1046 HG LEU A 65 14.212 17.453 7.225 1.00 0.00 H ATOM 1047 HD21 LEU A 65 13.516 17.412 4.285 1.00 0.00 H ATOM 1048 HD22 LEU A 65 14.217 18.775 5.191 1.00 0.00 H ATOM 1049 HD23 LEU A 65 15.152 17.275 4.974 1.00 0.00 H ATOM 1050 HD11 LEU A 65 13.165 15.248 7.323 1.00 0.00 H ATOM 1051 HD12 LEU A 65 12.878 15.291 5.566 1.00 0.00 H ATOM 1052 HD13 LEU A 65 14.543 15.241 6.195 1.00 0.00 H ATOM 1053 H LEU A 65 13.448 19.357 8.195 1.00 0.00 H ATOM 1054 N VAL A 66 10.142 19.706 8.035 1.00 9.64 N ATOM 1055 CA VAL A 66 8.763 20.053 8.358 1.00 10.10 C ATOM 1056 C VAL A 66 8.532 21.538 8.130 1.00 8.97 C ATOM 1057 O VAL A 66 7.545 21.949 7.520 1.00 12.17 O ATOM 1058 CB VAL A 66 8.449 19.682 9.816 1.00 11.01 C ATOM 1059 CG1 VAL A 66 7.072 20.167 10.231 1.00 12.64 C ATOM 1060 CG2 VAL A 66 8.559 18.186 9.985 1.00 14.15 C ATOM 1061 HA VAL A 66 8.096 19.490 7.705 1.00 0.00 H ATOM 1062 HB VAL A 66 9.173 20.176 10.463 1.00 0.00 H ATOM 1063 HG11 VAL A 66 7.026 21.252 10.133 1.00 0.00 H ATOM 1064 HG12 VAL A 66 6.319 19.711 9.589 1.00 0.00 H ATOM 1065 HG13 VAL A 66 6.886 19.886 11.268 1.00 0.00 H ATOM 1066 HG21 VAL A 66 7.848 17.693 9.321 1.00 0.00 H ATOM 1067 HG22 VAL A 66 9.571 17.867 9.737 1.00 0.00 H ATOM 1068 HG23 VAL A 66 8.337 17.921 11.019 1.00 0.00 H ATOM 1069 H VAL A 66 10.829 19.577 8.805 1.00 0.00 H ATOM 1070 N GLU A 67 9.460 22.349 8.611 1.00 9.65 N ATOM 1071 CA GLU A 67 9.292 23.789 8.573 1.00 11.55 C ATOM 1072 C GLU A 67 9.343 24.359 7.154 1.00 12.37 C ATOM 1073 O GLU A 67 8.715 25.379 6.882 1.00 15.41 O ATOM 1074 CB GLU A 67 10.295 24.415 9.545 1.00 16.84 C ATOM 1075 CG GLU A 67 9.930 23.995 10.982 1.00 18.45 C ATOM 1076 CD GLU A 67 10.979 24.285 12.025 1.00 18.58 C ATOM 1077 OE1 GLU A 67 12.060 24.800 11.677 1.00 25.79 O ATOM 1078 OE2 GLU A 67 10.707 23.966 13.208 1.00 19.91 O ATOM 1079 HA GLU A 67 8.288 24.053 8.905 1.00 0.00 H ATOM 1080 HB2 GLU A 67 11.301 24.068 9.307 1.00 0.00 H ATOM 1081 HB3 GLU A 67 10.257 25.501 9.461 1.00 0.00 H ATOM 1082 HG2 GLU A 67 9.019 24.521 11.266 1.00 0.00 H ATOM 1083 HG3 GLU A 67 9.743 22.921 10.982 1.00 0.00 H ATOM 1084 H GLU A 67 10.326 21.947 9.024 1.00 0.00 H ATOM 1085 N GLU A 68 10.026 23.670 6.241 1.00 11.02 N ATOM 1086 CA GLU A 68 10.028 24.046 4.824 1.00 13.42 C ATOM 1087 C GLU A 68 9.083 23.180 3.958 1.00 13.64 C ATOM 1088 O GLU A 68 9.065 23.297 2.731 1.00 14.72 O ATOM 1089 CB GLU A 68 11.456 24.033 4.291 1.00 15.09 C ATOM 1090 CG GLU A 68 12.374 24.885 5.165 1.00 13.12 C ATOM 1091 CD GLU A 68 13.734 25.147 4.570 1.00 15.58 C ATOM 1092 OE1 GLU A 68 13.853 25.160 3.325 1.00 24.92 O ATOM 1093 OE2 GLU A 68 14.678 25.355 5.367 1.00 17.25 O ATOM 1094 HA GLU A 68 9.630 25.058 4.754 1.00 0.00 H ATOM 1095 HB2 GLU A 68 11.824 23.007 4.281 1.00 0.00 H ATOM 1096 HB3 GLU A 68 11.461 24.429 3.276 1.00 0.00 H ATOM 1097 HG2 GLU A 68 11.887 25.845 5.338 1.00 0.00 H ATOM 1098 HG3 GLU A 68 12.511 24.372 6.117 1.00 0.00 H ATOM 1099 H GLU A 68 10.575 22.840 6.543 1.00 0.00 H ATOM 1100 N GLU A 69 8.284 22.348 4.625 1.00 13.99 N ATOM 1101 CA GLU A 69 7.118 21.667 4.046 1.00 15.76 C ATOM 1102 C GLU A 69 7.411 20.533 3.069 1.00 17.13 C ATOM 1103 O GLU A 69 6.514 20.128 2.328 1.00 26.37 O ATOM 1104 CB GLU A 69 6.165 22.668 3.378 1.00 19.62 C ATOM 1105 CG GLU A 69 5.709 23.796 4.298 1.00 19.80 C ATOM 1106 CD GLU A 69 4.616 24.645 3.687 1.00 31.98 C ATOM 1107 OE1 GLU A 69 4.886 25.822 3.372 1.00 37.88 O ATOM 1108 OE2 GLU A 69 3.487 24.137 3.532 1.00 45.08 O ATOM 1109 HA GLU A 69 6.654 21.194 4.912 1.00 0.00 H ATOM 1110 HB2 GLU A 69 6.675 23.108 2.521 1.00 0.00 H ATOM 1111 HB3 GLU A 69 5.283 22.127 3.035 1.00 0.00 H ATOM 1112 HG2 GLU A 69 5.335 23.360 5.225 1.00 0.00 H ATOM 1113 HG3 GLU A 69 6.565 24.434 4.517 1.00 0.00 H ATOM 1114 H GLU A 69 8.501 22.168 5.626 1.00 0.00 H ATOM 1115 N GLN A 70 8.638 20.009 3.054 1.00 16.69 N ATOM 1116 CA GLN A 70 8.934 18.830 2.224 1.00 18.48 C ATOM 1117 C GLN A 70 8.379 17.583 2.884 1.00 14.53 C ATOM 1118 O GLN A 70 8.032 16.615 2.205 1.00 15.75 O ATOM 1119 CB GLN A 70 10.432 18.626 1.990 1.00 20.06 C ATOM 1120 CG GLN A 70 11.058 19.624 1.042 1.00 26.03 C ATOM 1121 CD GLN A 70 11.668 20.785 1.771 1.00 23.68 C ATOM 1122 OE1 GLN A 70 11.425 20.966 2.962 1.00 18.18 O ATOM 1123 NE2 GLN A 70 12.481 21.573 1.068 1.00 29.57 N ATOM 1124 HA GLN A 70 8.463 19.007 1.257 1.00 0.00 H ATOM 1125 HB2 GLN A 70 10.941 18.703 2.951 1.00 0.00 H ATOM 1126 HB3 GLN A 70 10.580 17.627 1.580 1.00 0.00 H ATOM 1127 HG2 GLN A 70 11.835 19.122 0.465 1.00 0.00 H ATOM 1128 HG3 GLN A 70 10.289 19.997 0.366 1.00 0.00 H ATOM 1129 HE22 GLN A 70 12.654 21.376 0.061 1.00 0.00 H ATOM 1130 HE21 GLN A 70 12.943 22.385 1.526 1.00 0.00 H ATOM 1131 H GLN A 70 9.390 20.436 3.632 1.00 0.00 H ATOM 1132 N LEU A 71 8.331 17.625 4.213 1.00 16.89 N ATOM 1133 CA LEU A 71 7.759 16.551 5.017 1.00 15.87 C ATOM 1134 C LEU A 71 6.399 16.999 5.539 1.00 14.16 C ATOM 1135 O LEU A 71 6.313 17.840 6.433 1.00 17.56 O ATOM 1136 CB LEU A 71 8.680 16.213 6.201 1.00 16.62 C ATOM 1137 CG LEU A 71 9.126 14.768 6.484 1.00 16.84 C ATOM 1138 CD1 LEU A 71 9.342 14.575 7.980 1.00 17.50 C ATOM 1139 CD2 LEU A 71 8.156 13.733 5.968 1.00 16.67 C ATOM 1140 HA LEU A 71 7.650 15.659 4.400 1.00 0.00 H ATOM 1141 HB2 LEU A 71 9.591 16.794 6.058 1.00 0.00 H ATOM 1142 HB3 LEU A 71 8.167 16.558 7.099 1.00 0.00 H ATOM 1143 HG LEU A 71 10.061 14.618 5.945 1.00 0.00 H ATOM 1144 HD21 LEU A 71 7.186 13.877 6.443 1.00 0.00 H ATOM 1145 HD22 LEU A 71 8.053 13.840 4.888 1.00 0.00 H ATOM 1146 HD23 LEU A 71 8.532 12.737 6.201 1.00 0.00 H ATOM 1147 HD11 LEU A 71 10.112 15.264 8.326 1.00 0.00 H ATOM 1148 HD12 LEU A 71 8.410 14.774 8.509 1.00 0.00 H ATOM 1149 HD13 LEU A 71 9.658 13.549 8.171 1.00 0.00 H ATOM 1150 H LEU A 71 8.718 18.459 4.699 1.00 0.00 H ATOM 1151 N SER A 72 5.332 16.442 4.974 1.00 14.65 N ATOM 1152 CA SER A 72 3.978 16.791 5.389 1.00 14.11 C ATOM 1153 C SER A 72 2.995 15.654 5.136 1.00 10.83 C ATOM 1154 O SER A 72 3.339 14.651 4.510 1.00 10.16 O ATOM 1155 CB SER A 72 3.500 18.034 4.656 1.00 21.77 C ATOM 1156 OG SER A 72 3.472 17.806 3.267 1.00 21.90 O ATOM 1157 HA SER A 72 4.014 16.984 6.461 1.00 0.00 H ATOM 1158 HB2 SER A 72 4.177 18.860 4.871 1.00 0.00 H ATOM 1159 HB3 SER A 72 2.497 18.290 4.998 1.00 0.00 H ATOM 1160 HG SER A 72 3.159 18.624 2.806 1.00 0.00 H ATOM 1161 H SER A 72 5.466 15.741 4.218 1.00 0.00 H ATOM 1162 N SER A 73 1.767 15.828 5.621 1.00 12.11 N ATOM 1163 CA SER A 73 0.748 14.795 5.512 1.00 10.54 C ATOM 1164 C SER A 73 0.592 14.306 4.074 1.00 8.11 C ATOM 1165 O SER A 73 0.474 15.104 3.139 1.00 10.99 O ATOM 1166 CB SER A 73 -0.588 15.307 6.047 1.00 18.60 C ATOM 1167 OG SER A 73 -0.456 15.731 7.391 1.00 28.89 O ATOM 1168 HA SER A 73 1.071 13.947 6.116 1.00 0.00 H ATOM 1169 HB2 SER A 73 -1.326 14.507 5.994 1.00 0.00 H ATOM 1170 HB3 SER A 73 -0.921 16.147 5.437 1.00 0.00 H ATOM 1171 HG SER A 73 -1.330 16.059 7.720 1.00 0.00 H ATOM 1172 H SER A 73 1.530 16.726 6.090 1.00 0.00 H ATOM 1173 N ASN A 74 0.605 12.979 3.943 1.00 7.44 N ATOM 1174 CA ASN A 74 0.474 12.210 2.702 1.00 7.35 C ATOM 1175 C ASN A 74 1.789 11.866 2.046 1.00 6.53 C ATOM 1176 O ASN A 74 1.814 10.993 1.204 1.00 8.35 O ATOM 1177 CB ASN A 74 -0.451 12.853 1.679 1.00 10.95 C ATOM 1178 CG ASN A 74 -1.843 13.015 2.199 1.00 15.41 C ATOM 1179 OD1 ASN A 74 -2.341 12.162 2.939 1.00 16.10 O ATOM 1180 ND2 ASN A 74 -2.497 14.107 1.807 1.00 15.95 N ATOM 1181 HA ASN A 74 0.017 11.279 3.039 1.00 0.00 H ATOM 1182 HB2 ASN A 74 -0.057 13.835 1.418 1.00 0.00 H ATOM 1183 HB3 ASN A 74 -0.480 12.226 0.788 1.00 0.00 H ATOM 1184 HD22 ASN A 74 -2.031 14.796 1.182 1.00 0.00 H ATOM 1185 HD21 ASN A 74 -3.473 14.271 2.126 1.00 0.00 H ATOM 1186 H ASN A 74 0.721 12.429 4.818 1.00 0.00 H ATOM 1187 N CYS A 75 2.879 12.536 2.408 1.00 7.15 N ATOM 1188 CA CYS A 75 4.128 12.186 1.753 1.00 7.39 C ATOM 1189 C CYS A 75 4.578 10.777 2.128 1.00 6.03 C ATOM 1190 O CYS A 75 4.177 10.220 3.153 1.00 7.05 O ATOM 1191 CB CYS A 75 5.220 13.224 2.020 1.00 7.37 C ATOM 1192 SG CYS A 75 6.130 13.021 3.533 1.00 10.63 S ATOM 1193 HA CYS A 75 3.944 12.191 0.679 1.00 0.00 H ATOM 1194 HB2 CYS A 75 4.749 14.207 2.042 1.00 0.00 H ATOM 1195 HB3 CYS A 75 5.930 13.182 1.194 1.00 0.00 H ATOM 1196 HG CYS A 75 5.262 13.091 4.603 1.00 0.00 H ATOM 1197 H CYS A 75 2.839 13.282 3.132 1.00 0.00 H ATOM 1198 N VAL A 76 5.379 10.203 1.234 1.00 7.08 N ATOM 1199 CA VAL A 76 5.907 8.860 1.427 1.00 6.84 C ATOM 1200 C VAL A 76 7.409 9.003 1.584 1.00 7.30 C ATOM 1201 O VAL A 76 8.073 9.635 0.753 1.00 9.05 O ATOM 1202 CB VAL A 76 5.542 7.938 0.242 1.00 8.45 C ATOM 1203 CG1 VAL A 76 6.289 6.618 0.314 1.00 7.96 C ATOM 1204 CG2 VAL A 76 4.024 7.691 0.227 1.00 10.27 C ATOM 1205 HA VAL A 76 5.472 8.393 2.311 1.00 0.00 H ATOM 1206 HB VAL A 76 5.839 8.435 -0.681 1.00 0.00 H ATOM 1207 HG11 VAL A 76 7.362 6.807 0.287 1.00 0.00 H ATOM 1208 HG12 VAL A 76 6.032 6.107 1.242 1.00 0.00 H ATOM 1209 HG13 VAL A 76 6.007 5.996 -0.535 1.00 0.00 H ATOM 1210 HG21 VAL A 76 3.725 7.216 1.161 1.00 0.00 H ATOM 1211 HG22 VAL A 76 3.503 8.643 0.119 1.00 0.00 H ATOM 1212 HG23 VAL A 76 3.771 7.040 -0.610 1.00 0.00 H ATOM 1213 H VAL A 76 5.635 10.728 0.374 1.00 0.00 H ATOM 1214 N CYS A 77 7.913 8.407 2.667 1.00 6.78 N ATOM 1215 CA CYS A 77 9.323 8.526 2.989 1.00 7.80 C ATOM 1216 C CYS A 77 9.950 7.199 3.370 1.00 7.21 C ATOM 1217 O CYS A 77 9.285 6.260 3.791 1.00 9.75 O ATOM 1218 CB CYS A 77 9.536 9.559 4.099 1.00 11.47 C ATOM 1219 SG CYS A 77 8.741 9.161 5.657 1.00 11.11 S ATOM 1220 HA CYS A 77 9.826 8.865 2.083 1.00 0.00 H ATOM 1221 HB2 CYS A 77 9.145 10.516 3.753 1.00 0.00 H ATOM 1222 HB3 CYS A 77 10.607 9.650 4.278 1.00 0.00 H ATOM 1223 HG CYS A 77 9.003 10.159 6.573 1.00 0.00 H ATOM 1224 H CYS A 77 7.289 7.852 3.286 1.00 0.00 H ATOM 1225 N GLN A 78 11.253 7.129 3.159 1.00 6.96 N ATOM 1226 CA GLN A 78 12.031 5.968 3.541 1.00 7.10 C ATOM 1227 C GLN A 78 12.845 6.339 4.763 1.00 7.22 C ATOM 1228 O GLN A 78 13.555 7.346 4.754 1.00 8.17 O ATOM 1229 CB GLN A 78 12.951 5.519 2.413 1.00 9.24 C ATOM 1230 CG GLN A 78 13.753 4.285 2.785 1.00 9.22 C ATOM 1231 CD GLN A 78 14.300 3.554 1.590 1.00 11.27 C ATOM 1232 OE1 GLN A 78 14.601 4.162 0.567 1.00 14.96 O ATOM 1233 NE2 GLN A 78 14.419 2.238 1.707 1.00 13.05 N ATOM 1234 HA GLN A 78 11.362 5.136 3.759 1.00 0.00 H ATOM 1235 HB2 GLN A 78 12.346 5.293 1.535 1.00 0.00 H ATOM 1236 HB3 GLN A 78 13.641 6.329 2.179 1.00 0.00 H ATOM 1237 HG2 GLN A 78 14.587 4.591 3.417 1.00 0.00 H ATOM 1238 HG3 GLN A 78 13.107 3.606 3.342 1.00 0.00 H ATOM 1239 HE22 GLN A 78 14.150 1.769 2.595 1.00 0.00 H ATOM 1240 HE21 GLN A 78 14.781 1.676 0.910 1.00 0.00 H ATOM 1241 H GLN A 78 11.734 7.931 2.705 1.00 0.00 H ATOM 1242 N ILE A 79 12.736 5.538 5.818 1.00 6.85 N ATOM 1243 CA ILE A 79 13.494 5.782 7.030 1.00 8.35 C ATOM 1244 C ILE A 79 14.858 5.124 6.910 1.00 9.16 C ATOM 1245 O ILE A 79 14.956 3.909 6.732 1.00 12.60 O ATOM 1246 CB ILE A 79 12.765 5.218 8.253 1.00 9.31 C ATOM 1247 CG1 ILE A 79 11.319 5.732 8.310 1.00 9.99 C ATOM 1248 CG2 ILE A 79 13.527 5.539 9.531 1.00 11.15 C ATOM 1249 CD1 ILE A 79 11.143 7.224 8.160 1.00 13.54 C ATOM 1250 HA ILE A 79 13.606 6.859 7.159 1.00 0.00 H ATOM 1251 HB ILE A 79 12.723 4.133 8.160 1.00 0.00 H ATOM 1252 HG12 ILE A 79 10.760 5.247 7.509 1.00 0.00 H ATOM 1253 HG13 ILE A 79 10.899 5.441 9.273 1.00 0.00 H ATOM 1254 HD11 ILE A 79 11.679 7.734 8.960 1.00 0.00 H ATOM 1255 HD12 ILE A 79 11.541 7.540 7.196 1.00 0.00 H ATOM 1256 HD13 ILE A 79 10.083 7.471 8.216 1.00 0.00 H ATOM 1257 HG21 ILE A 79 14.522 5.098 9.480 1.00 0.00 H ATOM 1258 HG22 ILE A 79 13.613 6.620 9.640 1.00 0.00 H ATOM 1259 HG23 ILE A 79 12.990 5.128 10.386 1.00 0.00 H ATOM 1260 H ILE A 79 12.095 4.720 5.773 1.00 0.00 H ATOM 1261 N HIS A 80 15.917 5.925 7.006 1.00 8.05 N ATOM 1262 CA HIS A 80 17.277 5.407 6.868 1.00 7.94 C ATOM 1263 C HIS A 80 17.983 5.154 8.187 1.00 9.04 C ATOM 1264 O HIS A 80 18.921 4.364 8.237 1.00 15.81 O ATOM 1265 CB HIS A 80 18.108 6.345 6.007 1.00 11.10 C ATOM 1266 CG HIS A 80 17.777 6.233 4.559 1.00 11.32 C ATOM 1267 ND1 HIS A 80 18.390 5.317 3.734 1.00 18.66 N ATOM 1268 CD2 HIS A 80 16.862 6.873 3.798 1.00 14.08 C ATOM 1269 CE1 HIS A 80 17.890 5.421 2.519 1.00 18.63 C ATOM 1270 NE2 HIS A 80 16.961 6.359 2.531 1.00 15.12 N ATOM 1271 HA HIS A 80 17.178 4.434 6.387 1.00 0.00 H ATOM 1272 HB2 HIS A 80 17.925 7.370 6.329 1.00 0.00 H ATOM 1273 HB3 HIS A 80 19.162 6.105 6.145 1.00 0.00 H ATOM 1274 HD2 HIS A 80 16.175 7.651 4.129 1.00 0.00 H ATOM 1275 HE1 HIS A 80 18.192 4.833 1.652 1.00 0.00 H ATOM 1276 H HIS A 80 15.774 6.940 7.183 1.00 0.00 H ATOM 1277 N ARG A 81 17.551 5.832 9.243 1.00 9.73 N ATOM 1278 CA ARG A 81 18.108 5.612 10.567 1.00 11.10 C ATOM 1279 C ARG A 81 17.055 5.982 11.593 1.00 8.02 C ATOM 1280 O ARG A 81 16.461 7.058 11.530 1.00 9.38 O ATOM 1281 CB ARG A 81 19.386 6.429 10.777 1.00 13.15 C ATOM 1282 CG ARG A 81 20.130 6.096 12.072 1.00 21.05 C ATOM 1283 CD ARG A 81 21.580 6.583 12.068 1.00 29.39 C ATOM 1284 NE ARG A 81 21.711 8.023 11.849 1.00 30.89 N ATOM 1285 CZ ARG A 81 21.816 8.936 12.813 1.00 35.77 C ATOM 1286 NH1 ARG A 81 21.798 8.580 14.092 1.00 38.71 N ATOM 1287 NH2 ARG A 81 21.938 10.219 12.493 1.00 39.66 N ATOM 1288 HA ARG A 81 18.383 4.563 10.677 1.00 0.00 H ATOM 1289 HB2 ARG A 81 20.056 6.240 9.938 1.00 0.00 H ATOM 1290 HB3 ARG A 81 19.119 7.486 10.797 1.00 0.00 H ATOM 1291 HG2 ARG A 81 19.607 6.567 12.905 1.00 0.00 H ATOM 1292 HG3 ARG A 81 20.127 5.014 12.207 1.00 0.00 H ATOM 1293 HD2 ARG A 81 22.117 6.063 11.275 1.00 0.00 H ATOM 1294 HD3 ARG A 81 22.029 6.338 13.030 1.00 0.00 H ATOM 1295 HE ARG A 81 21.723 8.360 10.865 1.00 0.00 H ATOM 1296 HH12 ARG A 81 21.881 9.304 14.834 1.00 0.00 H ATOM 1297 HH11 ARG A 81 21.701 7.578 14.351 1.00 0.00 H ATOM 1298 HH22 ARG A 81 22.020 10.936 13.242 1.00 0.00 H ATOM 1299 HH21 ARG A 81 21.951 10.507 11.494 1.00 0.00 H ATOM 1300 H ARG A 81 16.796 6.537 9.120 1.00 0.00 H ATOM 1301 N PHE A 82 16.813 5.070 12.525 1.00 11.72 N ATOM 1302 CA PHE A 82 15.906 5.336 13.629 1.00 9.10 C ATOM 1303 C PHE A 82 16.377 4.629 14.873 1.00 9.89 C ATOM 1304 O PHE A 82 17.178 3.688 14.811 1.00 10.96 O ATOM 1305 CB PHE A 82 14.470 4.928 13.281 1.00 10.71 C ATOM 1306 CG PHE A 82 14.268 3.451 13.116 1.00 10.12 C ATOM 1307 CD1 PHE A 82 14.508 2.842 11.892 1.00 13.25 C ATOM 1308 CD2 PHE A 82 13.804 2.676 14.164 1.00 12.71 C ATOM 1309 CE1 PHE A 82 14.314 1.486 11.732 1.00 15.55 C ATOM 1310 CE2 PHE A 82 13.600 1.321 13.996 1.00 15.34 C ATOM 1311 CZ PHE A 82 13.851 0.734 12.779 1.00 16.00 C ATOM 1312 HA PHE A 82 15.906 6.410 13.817 1.00 0.00 H ATOM 1313 HB2 PHE A 82 13.814 5.275 14.079 1.00 0.00 H ATOM 1314 HB3 PHE A 82 14.193 5.417 12.347 1.00 0.00 H ATOM 1315 HD2 PHE A 82 13.598 3.139 15.129 1.00 0.00 H ATOM 1316 HE2 PHE A 82 13.240 0.717 14.829 1.00 0.00 H ATOM 1317 HZ PHE A 82 13.681 -0.334 12.646 1.00 0.00 H ATOM 1318 HE1 PHE A 82 14.529 1.013 10.774 1.00 0.00 H ATOM 1319 HD1 PHE A 82 14.853 3.441 11.049 1.00 0.00 H ATOM 1320 H PHE A 82 17.283 4.144 12.464 1.00 0.00 H ATOM 1321 N ILE A 83 15.893 5.114 16.006 1.00 11.87 N ATOM 1322 CA ILE A 83 16.113 4.402 17.256 1.00 13.06 C ATOM 1323 C ILE A 83 14.819 4.294 18.026 1.00 12.04 C ATOM 1324 O ILE A 83 13.921 5.111 17.873 1.00 15.99 O ATOM 1325 CB ILE A 83 17.198 5.050 18.134 1.00 20.61 C ATOM 1326 CG1 ILE A 83 16.829 6.480 18.499 1.00 22.02 C ATOM 1327 CG2 ILE A 83 18.550 5.018 17.440 1.00 24.76 C ATOM 1328 CD1 ILE A 83 17.536 6.953 19.751 1.00 31.46 C ATOM 1329 HA ILE A 83 16.473 3.407 16.993 1.00 0.00 H ATOM 1330 HB ILE A 83 17.266 4.469 19.053 1.00 0.00 H ATOM 1331 HG12 ILE A 83 17.103 7.135 17.672 1.00 0.00 H ATOM 1332 HG13 ILE A 83 15.753 6.534 18.662 1.00 0.00 H ATOM 1333 HD11 ILE A 83 17.262 6.309 20.587 1.00 0.00 H ATOM 1334 HD12 ILE A 83 18.614 6.911 19.596 1.00 0.00 H ATOM 1335 HD13 ILE A 83 17.239 7.979 19.969 1.00 0.00 H ATOM 1336 HG21 ILE A 83 18.831 3.984 17.242 1.00 0.00 H ATOM 1337 HG22 ILE A 83 18.487 5.565 16.499 1.00 0.00 H ATOM 1338 HG23 ILE A 83 19.298 5.482 18.083 1.00 0.00 H ATOM 1339 H ILE A 83 15.355 6.004 16.003 1.00 0.00 H ATOM 1340 N VAL A 84 14.717 3.248 18.829 1.00 11.76 N ATOM 1341 CA VAL A 84 13.568 3.075 19.685 1.00 10.20 C ATOM 1342 C VAL A 84 14.026 3.376 21.093 1.00 10.50 C ATOM 1343 O VAL A 84 15.084 2.913 21.526 1.00 13.73 O ATOM 1344 CB VAL A 84 13.001 1.646 19.596 1.00 13.72 C ATOM 1345 CG1 VAL A 84 11.871 1.441 20.599 1.00 18.42 C ATOM 1346 CG2 VAL A 84 12.510 1.370 18.180 1.00 17.20 C ATOM 1347 HA VAL A 84 12.765 3.744 19.376 1.00 0.00 H ATOM 1348 HB VAL A 84 13.798 0.944 19.841 1.00 0.00 H ATOM 1349 HG11 VAL A 84 12.249 1.605 21.608 1.00 0.00 H ATOM 1350 HG12 VAL A 84 11.069 2.149 20.390 1.00 0.00 H ATOM 1351 HG13 VAL A 84 11.491 0.423 20.513 1.00 0.00 H ATOM 1352 HG21 VAL A 84 11.728 2.084 17.922 1.00 0.00 H ATOM 1353 HG22 VAL A 84 13.341 1.472 17.482 1.00 0.00 H ATOM 1354 HG23 VAL A 84 12.111 0.357 18.126 1.00 0.00 H ATOM 1355 H VAL A 84 15.477 2.539 18.844 1.00 0.00 H ATOM 1356 N ASN A 85 13.237 4.177 21.794 1.00 9.23 N ATOM 1357 CA ASN A 85 13.462 4.442 23.203 1.00 10.47 C ATOM 1358 C ASN A 85 12.229 4.087 23.994 1.00 9.84 C ATOM 1359 O ASN A 85 11.114 4.229 23.523 1.00 15.25 O ATOM 1360 CB ASN A 85 13.830 5.905 23.426 1.00 12.89 C ATOM 1361 CG ASN A 85 15.331 6.149 23.319 1.00 20.38 C ATOM 1362 OD1 ASN A 85 16.144 5.284 23.662 1.00 21.38 O ATOM 1363 ND2 ASN A 85 15.704 7.327 22.846 1.00 29.76 N ATOM 1364 HA ASN A 85 14.294 3.826 23.544 1.00 0.00 H ATOM 1365 HB2 ASN A 85 13.322 6.512 22.677 1.00 0.00 H ATOM 1366 HB3 ASN A 85 13.497 6.203 24.420 1.00 0.00 H ATOM 1367 HD22 ASN A 85 14.986 8.027 22.569 1.00 0.00 H ATOM 1368 HD21 ASN A 85 16.715 7.553 22.751 1.00 0.00 H ATOM 1369 H ASN A 85 12.430 4.630 21.319 1.00 0.00 H ATOM 1370 N THR A 86 12.441 3.612 25.205 1.00 8.90 N ATOM 1371 CA THR A 86 11.369 3.160 26.069 1.00 9.02 C ATOM 1372 C THR A 86 11.337 4.049 27.300 1.00 9.95 C ATOM 1373 O THR A 86 12.352 4.241 27.998 1.00 10.12 O ATOM 1374 CB THR A 86 11.588 1.687 26.462 1.00 9.60 C ATOM 1375 OG1 THR A 86 11.673 0.883 25.278 1.00 9.66 O ATOM 1376 CG2 THR A 86 10.458 1.169 27.326 1.00 10.98 C ATOM 1377 HA THR A 86 10.414 3.226 25.548 1.00 0.00 H ATOM 1378 HB THR A 86 12.515 1.627 27.032 1.00 0.00 H ATOM 1379 HG1 THR A 86 11.814 -0.063 25.533 1.00 0.00 H ATOM 1380 HG23 THR A 86 10.386 1.775 28.229 1.00 0.00 H ATOM 1381 HG21 THR A 86 9.522 1.229 26.771 1.00 0.00 H ATOM 1382 HG22 THR A 86 10.656 0.132 27.597 1.00 0.00 H ATOM 1383 H THR A 86 13.419 3.559 25.555 1.00 0.00 H ATOM 1384 N LEU A 87 10.158 4.585 27.562 1.00 9.58 N ATOM 1385 CA LEU A 87 9.948 5.463 28.703 1.00 11.33 C ATOM 1386 C LEU A 87 9.771 4.661 29.990 1.00 10.32 C ATOM 1387 O LEU A 87 9.559 3.444 29.955 1.00 10.21 O ATOM 1388 CB LEU A 87 8.719 6.336 28.467 1.00 14.15 C ATOM 1389 CG LEU A 87 8.749 7.140 27.157 1.00 15.86 C ATOM 1390 CD1 LEU A 87 7.518 8.019 27.058 1.00 21.71 C ATOM 1391 CD2 LEU A 87 10.016 7.977 27.042 1.00 20.90 C ATOM 1392 HA LEU A 87 10.830 6.095 28.812 1.00 0.00 H ATOM 1393 HB2 LEU A 87 7.841 5.691 28.450 1.00 0.00 H ATOM 1394 HB3 LEU A 87 8.636 7.039 29.296 1.00 0.00 H ATOM 1395 HG LEU A 87 8.749 6.433 26.328 1.00 0.00 H ATOM 1396 HD21 LEU A 87 10.065 8.676 27.877 1.00 0.00 H ATOM 1397 HD22 LEU A 87 10.886 7.321 27.064 1.00 0.00 H ATOM 1398 HD23 LEU A 87 10.000 8.531 26.103 1.00 0.00 H ATOM 1399 HD11 LEU A 87 6.625 7.394 27.075 1.00 0.00 H ATOM 1400 HD12 LEU A 87 7.497 8.709 27.902 1.00 0.00 H ATOM 1401 HD13 LEU A 87 7.550 8.584 26.126 1.00 0.00 H ATOM 1402 H LEU A 87 9.357 4.373 26.934 1.00 0.00 H ATOM 1403 N LYS A 88 9.847 5.340 31.130 1.00 13.45 N ATOM 1404 CA LYS A 88 9.760 4.643 32.402 1.00 12.93 C ATOM 1405 C LYS A 88 8.427 3.913 32.563 1.00 14.15 C ATOM 1406 O LYS A 88 8.377 2.874 33.220 1.00 16.11 O ATOM 1407 CB LYS A 88 10.056 5.580 33.586 1.00 21.67 C ATOM 1408 CG LYS A 88 9.050 6.675 33.836 1.00 28.39 C ATOM 1409 CD LYS A 88 9.374 7.400 35.145 1.00 28.51 C ATOM 1410 CE LYS A 88 8.511 8.632 35.344 1.00 32.79 C ATOM 1411 NZ LYS A 88 8.880 9.722 34.400 1.00 33.90 N ATOM 1412 HA LYS A 88 10.536 3.878 32.403 1.00 0.00 H ATOM 1413 HB2 LYS A 88 10.114 4.970 34.487 1.00 0.00 H ATOM 1414 HB3 LYS A 88 11.022 6.051 33.404 1.00 0.00 H ATOM 1415 HG2 LYS A 88 9.081 7.388 33.012 1.00 0.00 H ATOM 1416 HG3 LYS A 88 8.053 6.240 33.902 1.00 0.00 H ATOM 1417 HD2 LYS A 88 9.207 6.716 35.977 1.00 0.00 H ATOM 1418 HD3 LYS A 88 10.421 7.703 35.130 1.00 0.00 H ATOM 1419 HE2 LYS A 88 8.638 8.991 36.365 1.00 0.00 H ATOM 1420 HE3 LYS A 88 7.467 8.362 35.182 1.00 0.00 H ATOM 1421 HZ1 LYS A 88 9.873 9.990 34.553 1.00 0.00 H ATOM 1422 HZ2 LYS A 88 8.756 9.389 33.423 1.00 0.00 H ATOM 1423 HZ3 LYS A 88 8.268 10.546 34.568 1.00 0.00 H ATOM 1424 H LYS A 88 9.969 6.373 31.112 1.00 0.00 H ATOM 1425 N ASP A 89 7.368 4.408 31.924 1.00 14.70 N ATOM 1426 CA ASP A 89 6.064 3.762 32.044 1.00 14.21 C ATOM 1427 C ASP A 89 5.864 2.589 31.078 1.00 13.50 C ATOM 1428 O ASP A 89 4.816 1.942 31.104 1.00 15.92 O ATOM 1429 CB ASP A 89 4.915 4.782 31.936 1.00 19.47 C ATOM 1430 CG ASP A 89 4.804 5.443 30.565 1.00 22.26 C ATOM 1431 OD1 ASP A 89 5.384 4.976 29.571 1.00 19.40 O ATOM 1432 OD2 ASP A 89 4.082 6.464 30.488 1.00 32.63 O ATOM 1433 HA ASP A 89 6.043 3.328 33.044 1.00 0.00 H ATOM 1434 HB2 ASP A 89 3.977 4.267 32.146 1.00 0.00 H ATOM 1435 HB3 ASP A 89 5.076 5.561 32.681 1.00 0.00 H ATOM 1436 H ASP A 89 7.471 5.260 31.336 1.00 0.00 H ATOM 1437 N GLY A 90 6.868 2.322 30.243 1.00 12.27 N ATOM 1438 CA GLY A 90 6.809 1.211 29.310 1.00 11.72 C ATOM 1439 C GLY A 90 6.469 1.578 27.875 1.00 10.62 C ATOM 1440 O GLY A 90 6.651 0.770 26.962 1.00 14.00 O ATOM 1441 HA3 GLY A 90 6.052 0.513 29.667 1.00 0.00 H ATOM 1442 HA2 GLY A 90 7.782 0.721 29.310 1.00 0.00 H ATOM 1443 H GLY A 90 7.715 2.925 30.260 1.00 0.00 H ATOM 1444 N ARG A 91 5.967 2.786 27.664 1.00 12.33 N ATOM 1445 CA ARG A 91 5.663 3.221 26.310 1.00 14.35 C ATOM 1446 C ARG A 91 6.932 3.370 25.492 1.00 11.90 C ATOM 1447 O ARG A 91 7.986 3.762 26.003 1.00 12.88 O ATOM 1448 CB ARG A 91 4.898 4.540 26.321 1.00 21.14 C ATOM 1449 CG ARG A 91 3.490 4.412 26.865 1.00 30.31 C ATOM 1450 CD ARG A 91 2.785 5.752 26.852 1.00 35.18 C ATOM 1451 NE ARG A 91 3.523 6.749 27.620 1.00 31.95 N ATOM 1452 CZ ARG A 91 3.176 8.026 27.718 1.00 39.40 C ATOM 1453 NH1 ARG A 91 3.914 8.856 28.441 1.00 41.39 N ATOM 1454 NH2 ARG A 91 2.094 8.475 27.095 1.00 46.83 N ATOM 1455 HA ARG A 91 5.037 2.456 25.850 1.00 0.00 H ATOM 1456 HB2 ARG A 91 5.445 5.252 26.939 1.00 0.00 H ATOM 1457 HB3 ARG A 91 4.842 4.916 25.299 1.00 0.00 H ATOM 1458 HG2 ARG A 91 2.931 3.708 26.249 1.00 0.00 H ATOM 1459 HG3 ARG A 91 3.534 4.041 27.889 1.00 0.00 H ATOM 1460 HD2 ARG A 91 1.791 5.635 27.285 1.00 0.00 H ATOM 1461 HD3 ARG A 91 2.693 6.095 25.821 1.00 0.00 H ATOM 1462 HE ARG A 91 4.378 6.438 28.124 1.00 0.00 H ATOM 1463 HH12 ARG A 91 3.645 9.857 28.520 1.00 0.00 H ATOM 1464 HH11 ARG A 91 4.763 8.506 28.930 1.00 0.00 H ATOM 1465 HH22 ARG A 91 1.826 9.477 27.175 1.00 0.00 H ATOM 1466 HH21 ARG A 91 1.514 7.825 26.527 1.00 0.00 H ATOM 1467 H ARG A 91 5.790 3.423 28.467 1.00 0.00 H ATOM 1468 N ARG A 92 6.818 3.070 24.209 1.00 12.30 N ATOM 1469 CA ARG A 92 7.940 3.232 23.307 1.00 12.85 C ATOM 1470 C ARG A 92 7.745 4.372 22.347 1.00 11.87 C ATOM 1471 O ARG A 92 6.626 4.648 21.906 1.00 15.73 O ATOM 1472 CB ARG A 92 8.226 1.921 22.602 1.00 18.54 C ATOM 1473 CG ARG A 92 8.878 0.973 23.584 1.00 20.56 C ATOM 1474 CD ARG A 92 9.151 -0.369 23.018 1.00 23.30 C ATOM 1475 NE ARG A 92 10.058 -1.119 23.883 1.00 15.91 N ATOM 1476 CZ ARG A 92 10.270 -2.422 23.769 1.00 14.87 C ATOM 1477 NH1 ARG A 92 9.626 -3.121 22.843 1.00 19.21 N ATOM 1478 NH2 ARG A 92 11.121 -3.024 24.582 1.00 12.78 N ATOM 1479 HA ARG A 92 8.817 3.499 23.897 1.00 0.00 H ATOM 1480 HB2 ARG A 92 7.294 1.489 22.239 1.00 0.00 H ATOM 1481 HB3 ARG A 92 8.896 2.096 21.760 1.00 0.00 H ATOM 1482 HG2 ARG A 92 9.822 1.409 23.910 1.00 0.00 H ATOM 1483 HG3 ARG A 92 8.217 0.857 24.443 1.00 0.00 H ATOM 1484 HD2 ARG A 92 9.606 -0.257 22.034 1.00 0.00 H ATOM 1485 HD3 ARG A 92 8.213 -0.915 22.923 1.00 0.00 H ATOM 1486 HE ARG A 92 10.565 -0.602 24.629 1.00 0.00 H ATOM 1487 HH12 ARG A 92 9.793 -4.144 22.754 1.00 0.00 H ATOM 1488 HH11 ARG A 92 8.955 -2.646 22.206 1.00 0.00 H ATOM 1489 HH22 ARG A 92 11.289 -4.047 24.494 1.00 0.00 H ATOM 1490 HH21 ARG A 92 11.622 -2.475 25.309 1.00 0.00 H ATOM 1491 H ARG A 92 5.912 2.714 23.843 1.00 0.00 H ATOM 1492 N VAL A 93 8.856 5.040 22.056 1.00 11.75 N ATOM 1493 CA VAL A 93 8.910 6.146 21.120 1.00 10.97 C ATOM 1494 C VAL A 93 9.939 5.788 20.049 1.00 10.32 C ATOM 1495 O VAL A 93 11.015 5.257 20.357 1.00 14.01 O ATOM 1496 CB VAL A 93 9.333 7.444 21.842 1.00 20.80 C ATOM 1497 CG1 VAL A 93 9.374 8.599 20.875 1.00 27.24 C ATOM 1498 CG2 VAL A 93 8.374 7.745 22.979 1.00 28.10 C ATOM 1499 HA VAL A 93 7.929 6.315 20.676 1.00 0.00 H ATOM 1500 HB VAL A 93 10.333 7.302 22.252 1.00 0.00 H ATOM 1501 HG11 VAL A 93 10.092 8.384 20.084 1.00 0.00 H ATOM 1502 HG12 VAL A 93 8.385 8.742 20.440 1.00 0.00 H ATOM 1503 HG13 VAL A 93 9.674 9.504 21.404 1.00 0.00 H ATOM 1504 HG21 VAL A 93 7.367 7.869 22.580 1.00 0.00 H ATOM 1505 HG22 VAL A 93 8.385 6.919 23.690 1.00 0.00 H ATOM 1506 HG23 VAL A 93 8.683 8.662 23.480 1.00 0.00 H ATOM 1507 H VAL A 93 9.738 4.753 22.527 1.00 0.00 H ATOM 1508 N VAL A 94 9.603 6.053 18.794 1.00 8.80 N ATOM 1509 CA VAL A 94 10.501 5.766 17.688 1.00 8.73 C ATOM 1510 C VAL A 94 11.039 7.098 17.183 1.00 8.77 C ATOM 1511 O VAL A 94 10.279 7.937 16.697 1.00 11.68 O ATOM 1512 CB VAL A 94 9.781 5.016 16.562 1.00 10.23 C ATOM 1513 CG1 VAL A 94 10.752 4.699 15.445 1.00 11.13 C ATOM 1514 CG2 VAL A 94 9.119 3.739 17.091 1.00 12.55 C ATOM 1515 HA VAL A 94 11.313 5.122 18.026 1.00 0.00 H ATOM 1516 HB VAL A 94 8.994 5.657 16.166 1.00 0.00 H ATOM 1517 HG11 VAL A 94 11.165 5.627 15.050 1.00 0.00 H ATOM 1518 HG12 VAL A 94 11.558 4.076 15.832 1.00 0.00 H ATOM 1519 HG13 VAL A 94 10.229 4.166 14.651 1.00 0.00 H ATOM 1520 HG21 VAL A 94 9.881 3.086 17.517 1.00 0.00 H ATOM 1521 HG22 VAL A 94 8.392 4.000 17.860 1.00 0.00 H ATOM 1522 HG23 VAL A 94 8.615 3.226 16.272 1.00 0.00 H ATOM 1523 H VAL A 94 8.674 6.477 18.596 1.00 0.00 H ATOM 1524 N ILE A 95 12.341 7.313 17.349 1.00 9.07 N ATOM 1525 CA ILE A 95 12.963 8.568 16.938 1.00 10.29 C ATOM 1526 C ILE A 95 13.562 8.419 15.548 1.00 9.69 C ATOM 1527 O ILE A 95 14.461 7.585 15.324 1.00 10.71 O ATOM 1528 CB ILE A 95 14.044 9.005 17.931 1.00 12.29 C ATOM 1529 CG1 ILE A 95 13.427 9.204 19.316 1.00 14.81 C ATOM 1530 CG2 ILE A 95 14.699 10.304 17.485 1.00 15.46 C ATOM 1531 CD1 ILE A 95 14.220 8.595 20.420 1.00 25.93 C ATOM 1532 HA ILE A 95 12.192 9.338 16.920 1.00 0.00 H ATOM 1533 HB ILE A 95 14.803 8.224 17.971 1.00 0.00 H ATOM 1534 HG12 ILE A 95 13.341 10.274 19.504 1.00 0.00 H ATOM 1535 HG13 ILE A 95 12.434 8.755 19.318 1.00 0.00 H ATOM 1536 HD11 ILE A 95 14.306 7.521 20.254 1.00 0.00 H ATOM 1537 HD12 ILE A 95 15.214 9.041 20.441 1.00 0.00 H ATOM 1538 HD13 ILE A 95 13.718 8.778 21.370 1.00 0.00 H ATOM 1539 HG21 ILE A 95 15.158 10.161 16.507 1.00 0.00 H ATOM 1540 HG22 ILE A 95 13.944 11.087 17.422 1.00 0.00 H ATOM 1541 HG23 ILE A 95 15.462 10.591 18.208 1.00 0.00 H ATOM 1542 H ILE A 95 12.928 6.571 17.781 1.00 0.00 H ATOM 1543 N LEU A 96 13.046 9.226 14.622 1.00 8.97 N ATOM 1544 CA LEU A 96 13.500 9.235 13.236 1.00 8.91 C ATOM 1545 C LEU A 96 14.707 10.162 13.103 1.00 10.15 C ATOM 1546 O LEU A 96 14.600 11.372 13.325 1.00 12.23 O ATOM 1547 CB LEU A 96 12.365 9.689 12.320 1.00 10.85 C ATOM 1548 CG LEU A 96 11.061 8.895 12.424 1.00 10.33 C ATOM 1549 CD1 LEU A 96 10.023 9.467 11.487 1.00 13.60 C ATOM 1550 CD2 LEU A 96 11.293 7.416 12.127 1.00 12.00 C ATOM 1551 HA LEU A 96 13.796 8.228 12.941 1.00 0.00 H ATOM 1552 HB2 LEU A 96 12.142 10.730 12.555 1.00 0.00 H ATOM 1553 HB3 LEU A 96 12.718 9.618 11.291 1.00 0.00 H ATOM 1554 HG LEU A 96 10.694 8.978 13.447 1.00 0.00 H ATOM 1555 HD21 LEU A 96 11.689 7.307 11.117 1.00 0.00 H ATOM 1556 HD22 LEU A 96 12.007 7.010 12.844 1.00 0.00 H ATOM 1557 HD23 LEU A 96 10.349 6.878 12.209 1.00 0.00 H ATOM 1558 HD11 LEU A 96 9.830 10.506 11.752 1.00 0.00 H ATOM 1559 HD12 LEU A 96 10.392 9.414 10.463 1.00 0.00 H ATOM 1560 HD13 LEU A 96 9.101 8.891 11.573 1.00 0.00 H ATOM 1561 H LEU A 96 12.285 9.879 14.900 1.00 0.00 H ATOM 1562 N MET A 97 15.851 9.588 12.739 1.00 10.19 N ATOM 1563 CA MET A 97 17.120 10.320 12.701 1.00 10.23 C ATOM 1564 C MET A 97 17.509 10.743 11.293 1.00 11.25 C ATOM 1565 O MET A 97 18.059 11.827 11.089 1.00 12.74 O ATOM 1566 CB MET A 97 18.244 9.447 13.249 1.00 12.57 C ATOM 1567 CG MET A 97 18.052 8.955 14.671 1.00 15.98 C ATOM 1568 SD MET A 97 17.767 10.251 15.893 1.00 22.08 S ATOM 1569 CE MET A 97 19.218 11.284 15.707 1.00 28.59 C ATOM 1570 HA MET A 97 16.977 11.213 13.309 1.00 0.00 H ATOM 1571 HB2 MET A 97 18.339 8.575 12.601 1.00 0.00 H ATOM 1572 HB3 MET A 97 19.167 10.026 13.215 1.00 0.00 H ATOM 1573 HG2 MET A 97 18.947 8.405 14.963 1.00 0.00 H ATOM 1574 HG3 MET A 97 17.194 8.283 14.684 1.00 0.00 H ATOM 1575 HE1 MET A 97 20.111 10.695 15.915 1.00 0.00 H ATOM 1576 HE2 MET A 97 19.262 11.666 14.687 1.00 0.00 H ATOM 1577 HE3 MET A 97 19.161 12.118 16.406 1.00 0.00 H ATOM 1578 H MET A 97 15.844 8.583 12.472 1.00 0.00 H ATOM 1579 N GLU A 98 17.237 9.858 10.341 1.00 9.18 N ATOM 1580 CA GLU A 98 17.479 10.125 8.928 1.00 10.29 C ATOM 1581 C GLU A 98 16.326 9.582 8.107 1.00 8.48 C ATOM 1582 O GLU A 98 15.888 8.442 8.313 1.00 9.18 O ATOM 1583 CB GLU A 98 18.770 9.454 8.456 1.00 14.39 C ATOM 1584 CG GLU A 98 20.044 10.071 8.997 1.00 16.10 C ATOM 1585 CD GLU A 98 21.273 9.276 8.609 1.00 21.88 C ATOM 1586 OE1 GLU A 98 21.166 8.432 7.693 1.00 22.11 O ATOM 1587 OE2 GLU A 98 22.340 9.490 9.222 1.00 25.01 O ATOM 1588 HA GLU A 98 17.570 11.203 8.797 1.00 0.00 H ATOM 1589 HB2 GLU A 98 18.742 8.409 8.765 1.00 0.00 H ATOM 1590 HB3 GLU A 98 18.802 9.509 7.368 1.00 0.00 H ATOM 1591 HG2 GLU A 98 20.140 11.082 8.602 1.00 0.00 H ATOM 1592 HG3 GLU A 98 19.981 10.112 10.084 1.00 0.00 H ATOM 1593 H GLU A 98 16.836 8.938 10.614 1.00 0.00 H ATOM 1594 N LEU A 99 15.849 10.385 7.180 1.00 10.36 N ATOM 1595 CA LEU A 99 14.844 9.904 6.261 1.00 12.64 C ATOM 1596 C LEU A 99 14.920 10.662 4.970 1.00 11.06 C ATOM 1597 O LEU A 99 15.477 11.767 4.892 1.00 16.94 O ATOM 1598 CB LEU A 99 13.457 10.005 6.870 1.00 14.30 C ATOM 1599 CG LEU A 99 12.916 11.397 7.141 1.00 12.93 C ATOM 1600 CD1 LEU A 99 12.310 12.062 5.883 1.00 16.49 C ATOM 1601 CD2 LEU A 99 11.879 11.328 8.246 1.00 19.32 C ATOM 1602 HA LEU A 99 15.038 8.851 6.056 1.00 0.00 H ATOM 1603 HB2 LEU A 99 12.764 9.510 6.190 1.00 0.00 H ATOM 1604 HB3 LEU A 99 13.476 9.470 7.820 1.00 0.00 H ATOM 1605 HG LEU A 99 13.756 12.019 7.449 1.00 0.00 H ATOM 1606 HD21 LEU A 99 11.064 10.674 7.937 1.00 0.00 H ATOM 1607 HD22 LEU A 99 12.340 10.933 9.151 1.00 0.00 H ATOM 1608 HD23 LEU A 99 11.490 12.328 8.441 1.00 0.00 H ATOM 1609 HD11 LEU A 99 13.077 12.147 5.113 1.00 0.00 H ATOM 1610 HD12 LEU A 99 11.487 11.451 5.512 1.00 0.00 H ATOM 1611 HD13 LEU A 99 11.940 13.055 6.141 1.00 0.00 H ATOM 1612 H LEU A 99 16.195 11.363 7.109 1.00 0.00 H ATOM 1613 N GLU A 100 14.370 10.037 3.952 1.00 10.79 N ATOM 1614 CA GLU A 100 14.296 10.604 2.613 1.00 8.80 C ATOM 1615 C GLU A 100 12.834 10.637 2.164 1.00 8.37 C ATOM 1616 O GLU A 100 12.133 9.637 2.293 1.00 12.10 O ATOM 1617 CB GLU A 100 15.146 9.765 1.639 1.00 9.01 C ATOM 1618 CG GLU A 100 16.665 9.837 1.923 1.00 11.13 C ATOM 1619 CD GLU A 100 17.553 9.485 0.728 1.00 12.89 C ATOM 1620 OE1 GLU A 100 17.586 10.251 -0.263 1.00 13.18 O ATOM 1621 OE2 GLU A 100 18.255 8.455 0.795 1.00 17.99 O ATOM 1622 HA GLU A 100 14.690 11.620 2.620 1.00 0.00 H ATOM 1623 HB2 GLU A 100 14.830 8.724 1.714 1.00 0.00 H ATOM 1624 HB3 GLU A 100 14.967 10.126 0.626 1.00 0.00 H ATOM 1625 HG2 GLU A 100 16.905 10.853 2.238 1.00 0.00 H ATOM 1626 HG3 GLU A 100 16.893 9.144 2.733 1.00 0.00 H ATOM 1627 H GLU A 100 13.968 9.091 4.111 1.00 0.00 H ATOM 1628 N VAL A 101 12.385 11.766 1.644 1.00 8.59 N ATOM 1629 CA VAL A 101 11.048 11.849 1.078 1.00 8.72 C ATOM 1630 C VAL A 101 11.109 11.294 -0.340 1.00 9.55 C ATOM 1631 O VAL A 101 11.794 11.843 -1.204 1.00 14.34 O ATOM 1632 CB VAL A 101 10.522 13.286 1.071 1.00 11.28 C ATOM 1633 CG1 VAL A 101 9.155 13.351 0.415 1.00 16.15 C ATOM 1634 CG2 VAL A 101 10.450 13.817 2.501 1.00 14.06 C ATOM 1635 HA VAL A 101 10.358 11.268 1.690 1.00 0.00 H ATOM 1636 HB VAL A 101 11.207 13.908 0.494 1.00 0.00 H ATOM 1637 HG11 VAL A 101 9.230 12.996 -0.613 1.00 0.00 H ATOM 1638 HG12 VAL A 101 8.458 12.722 0.968 1.00 0.00 H ATOM 1639 HG13 VAL A 101 8.799 14.381 0.420 1.00 0.00 H ATOM 1640 HG21 VAL A 101 9.778 13.189 3.087 1.00 0.00 H ATOM 1641 HG22 VAL A 101 11.446 13.799 2.944 1.00 0.00 H ATOM 1642 HG23 VAL A 101 10.075 14.840 2.489 1.00 0.00 H ATOM 1643 H VAL A 101 12.997 12.607 1.640 1.00 0.00 H ATOM 1644 N LEU A 102 10.432 10.177 -0.570 1.00 8.65 N ATOM 1645 CA LEU A 102 10.408 9.563 -1.891 1.00 9.47 C ATOM 1646 C LEU A 102 9.352 10.189 -2.775 1.00 10.37 C ATOM 1647 O LEU A 102 9.562 10.324 -3.981 1.00 13.20 O ATOM 1648 CB LEU A 102 10.125 8.072 -1.780 1.00 9.64 C ATOM 1649 CG LEU A 102 11.122 7.263 -0.948 1.00 10.44 C ATOM 1650 CD1 LEU A 102 10.722 5.809 -0.991 1.00 11.36 C ATOM 1651 CD2 LEU A 102 12.552 7.434 -1.435 1.00 13.35 C ATOM 1652 HA LEU A 102 11.389 9.726 -2.338 1.00 0.00 H ATOM 1653 HB2 LEU A 102 9.139 7.951 -1.331 1.00 0.00 H ATOM 1654 HB3 LEU A 102 10.117 7.657 -2.788 1.00 0.00 H ATOM 1655 HG LEU A 102 11.095 7.633 0.077 1.00 0.00 H ATOM 1656 HD21 LEU A 102 12.625 7.099 -2.470 1.00 0.00 H ATOM 1657 HD22 LEU A 102 12.833 8.485 -1.371 1.00 0.00 H ATOM 1658 HD23 LEU A 102 13.220 6.840 -0.812 1.00 0.00 H ATOM 1659 HD11 LEU A 102 9.719 5.697 -0.579 1.00 0.00 H ATOM 1660 HD12 LEU A 102 10.733 5.461 -2.024 1.00 0.00 H ATOM 1661 HD13 LEU A 102 11.426 5.222 -0.401 1.00 0.00 H ATOM 1662 H LEU A 102 9.907 9.730 0.209 1.00 0.00 H ATOM 1663 N LYS A 103 8.205 10.523 -2.194 1.00 8.67 N ATOM 1664 CA LYS A 103 7.147 11.184 -2.955 1.00 10.41 C ATOM 1665 C LYS A 103 6.545 12.277 -2.107 1.00 10.03 C ATOM 1666 O LYS A 103 6.174 12.034 -0.950 1.00 10.02 O ATOM 1667 CB LYS A 103 6.042 10.204 -3.332 1.00 13.69 C ATOM 1668 CG LYS A 103 6.435 9.154 -4.335 1.00 18.65 C ATOM 1669 CD LYS A 103 5.193 8.596 -5.016 1.00 23.16 C ATOM 1670 CE LYS A 103 5.534 7.727 -6.204 1.00 33.81 C ATOM 1671 NZ LYS A 103 4.430 7.767 -7.201 1.00 31.88 N ATOM 1672 HA LYS A 103 7.584 11.589 -3.868 1.00 0.00 H ATOM 1673 HB2 LYS A 103 5.715 9.698 -2.424 1.00 0.00 H ATOM 1674 HB3 LYS A 103 5.212 10.775 -3.748 1.00 0.00 H ATOM 1675 HG2 LYS A 103 7.090 9.597 -5.085 1.00 0.00 H ATOM 1676 HG3 LYS A 103 6.962 8.347 -3.826 1.00 0.00 H ATOM 1677 HD2 LYS A 103 4.634 8.000 -4.294 1.00 0.00 H ATOM 1678 HD3 LYS A 103 4.575 9.427 -5.355 1.00 0.00 H ATOM 1679 HE2 LYS A 103 5.681 6.700 -5.869 1.00 0.00 H ATOM 1680 HE3 LYS A 103 6.451 8.092 -6.666 1.00 0.00 H ATOM 1681 HZ1 LYS A 103 3.555 7.417 -6.762 1.00 0.00 H ATOM 1682 HZ2 LYS A 103 4.290 8.746 -7.523 1.00 0.00 H ATOM 1683 HZ3 LYS A 103 4.676 7.166 -8.013 1.00 0.00 H ATOM 1684 H LYS A 103 8.058 10.312 -1.186 1.00 0.00 H ATOM 1685 N SER A 104 6.463 13.481 -2.668 1.00 12.57 N ATOM 1686 CA SER A 104 5.869 14.610 -1.969 1.00 10.51 C ATOM 1687 C SER A 104 4.395 14.366 -1.670 1.00 9.64 C ATOM 1688 O SER A 104 3.729 13.562 -2.324 1.00 10.33 O ATOM 1689 CB SER A 104 5.982 15.861 -2.813 1.00 13.25 C ATOM 1690 OG SER A 104 5.132 15.738 -3.935 1.00 17.71 O ATOM 1691 HA SER A 104 6.409 14.732 -1.030 1.00 0.00 H ATOM 1692 HB2 SER A 104 7.012 15.985 -3.147 1.00 0.00 H ATOM 1693 HB3 SER A 104 5.685 16.728 -2.223 1.00 0.00 H ATOM 1694 HG SER A 104 5.202 16.554 -4.491 1.00 0.00 H ATOM 1695 H SER A 104 6.833 13.618 -3.630 1.00 0.00 H ATOM 1696 N ALA A 105 3.879 15.092 -0.689 1.00 9.30 N ATOM 1697 CA ALA A 105 2.465 15.025 -0.354 1.00 11.27 C ATOM 1698 C ALA A 105 1.604 15.287 -1.586 1.00 11.16 C ATOM 1699 O ALA A 105 0.591 14.625 -1.793 1.00 11.87 O ATOM 1700 CB ALA A 105 2.144 16.029 0.733 1.00 13.21 C ATOM 1701 HA ALA A 105 2.242 14.022 0.010 1.00 0.00 H ATOM 1702 HB1 ALA A 105 2.735 15.803 1.620 1.00 0.00 H ATOM 1703 HB2 ALA A 105 2.383 17.033 0.381 1.00 0.00 H ATOM 1704 HB3 ALA A 105 1.083 15.972 0.977 1.00 0.00 H ATOM 1705 H ALA A 105 4.500 15.725 -0.145 1.00 0.00 H ATOM 1706 N GLU A 106 2.019 16.246 -2.408 1.00 11.27 N ATOM 1707 CA GLU A 106 1.220 16.669 -3.549 1.00 14.60 C ATOM 1708 C GLU A 106 1.189 15.590 -4.632 1.00 13.89 C ATOM 1709 O GLU A 106 0.246 15.511 -5.417 1.00 16.47 O ATOM 1710 CB GLU A 106 1.755 18.003 -4.107 1.00 18.35 C ATOM 1711 CG GLU A 106 1.638 19.186 -3.131 1.00 17.96 C ATOM 1712 CD GLU A 106 2.651 19.155 -1.985 1.00 20.02 C ATOM 1713 OE1 GLU A 106 3.721 18.528 -2.131 1.00 21.22 O ATOM 1714 OE2 GLU A 106 2.372 19.761 -0.929 1.00 20.92 O ATOM 1715 HA GLU A 106 0.194 16.822 -3.214 1.00 0.00 H ATOM 1716 HB2 GLU A 106 2.807 17.871 -4.360 1.00 0.00 H ATOM 1717 HB3 GLU A 106 1.193 18.247 -5.009 1.00 0.00 H ATOM 1718 HG2 GLU A 106 1.784 20.109 -3.692 1.00 0.00 H ATOM 1719 HG3 GLU A 106 0.636 19.178 -2.702 1.00 0.00 H ATOM 1720 H GLU A 106 2.936 16.705 -2.232 1.00 0.00 H ATOM 1721 N ALA A 107 2.224 14.757 -4.669 1.00 11.35 N ATOM 1722 CA ALA A 107 2.325 13.691 -5.657 1.00 13.41 C ATOM 1723 C ALA A 107 1.615 12.411 -5.221 1.00 12.50 C ATOM 1724 O ALA A 107 1.388 11.524 -6.027 1.00 21.81 O ATOM 1725 CB ALA A 107 3.788 13.398 -5.951 1.00 16.12 C ATOM 1726 HA ALA A 107 1.824 14.041 -6.559 1.00 0.00 H ATOM 1727 HB1 ALA A 107 4.266 14.297 -6.340 1.00 0.00 H ATOM 1728 HB2 ALA A 107 4.287 13.088 -5.033 1.00 0.00 H ATOM 1729 HB3 ALA A 107 3.856 12.600 -6.690 1.00 0.00 H ATOM 1730 H ALA A 107 2.986 14.870 -3.970 1.00 0.00 H ATOM 1731 N VAL A 108 1.254 12.322 -3.947 1.00 10.66 N ATOM 1732 CA VAL A 108 0.553 11.153 -3.427 1.00 10.10 C ATOM 1733 C VAL A 108 -0.916 11.506 -3.188 1.00 11.83 C ATOM 1734 O VAL A 108 -1.815 10.899 -3.769 1.00 16.47 O ATOM 1735 CB VAL A 108 1.190 10.641 -2.121 1.00 9.95 C ATOM 1736 CG1 VAL A 108 0.443 9.403 -1.623 1.00 10.60 C ATOM 1737 CG2 VAL A 108 2.663 10.311 -2.333 1.00 12.53 C ATOM 1738 HA VAL A 108 0.629 10.355 -4.166 1.00 0.00 H ATOM 1739 HB VAL A 108 1.117 11.428 -1.371 1.00 0.00 H ATOM 1740 HG11 VAL A 108 -0.600 9.660 -1.437 1.00 0.00 H ATOM 1741 HG12 VAL A 108 0.496 8.620 -2.379 1.00 0.00 H ATOM 1742 HG13 VAL A 108 0.902 9.050 -0.700 1.00 0.00 H ATOM 1743 HG21 VAL A 108 2.755 9.539 -3.097 1.00 0.00 H ATOM 1744 HG22 VAL A 108 3.192 11.208 -2.656 1.00 0.00 H ATOM 1745 HG23 VAL A 108 3.092 9.951 -1.398 1.00 0.00 H ATOM 1746 H VAL A 108 1.477 13.107 -3.302 1.00 0.00 H ATOM 1747 N GLY A 109 -1.148 12.459 -2.295 1.00 12.01 N ATOM 1748 CA GLY A 109 -2.428 13.147 -2.226 1.00 14.56 C ATOM 1749 C GLY A 109 -3.528 12.547 -1.378 1.00 11.30 C ATOM 1750 O GLY A 109 -4.549 13.193 -1.145 1.00 13.05 O ATOM 1751 HA3 GLY A 109 -2.810 13.219 -3.244 1.00 0.00 H ATOM 1752 HA2 GLY A 109 -2.235 14.148 -1.841 1.00 0.00 H ATOM 1753 H GLY A 109 -0.395 12.721 -1.627 1.00 0.00 H ATOM 1754 N VAL A 110 -3.325 11.326 -0.912 1.00 11.45 N ATOM 1755 CA VAL A 110 -4.348 10.602 -0.180 1.00 12.49 C ATOM 1756 C VAL A 110 -3.668 9.668 0.793 1.00 10.84 C ATOM 1757 O VAL A 110 -2.538 9.255 0.558 1.00 10.20 O ATOM 1758 CB VAL A 110 -5.240 9.746 -1.129 1.00 14.19 C ATOM 1759 CG1 VAL A 110 -5.997 10.626 -2.113 1.00 14.42 C ATOM 1760 CG2 VAL A 110 -4.403 8.709 -1.883 1.00 17.53 C ATOM 1761 HA VAL A 110 -4.981 11.328 0.330 1.00 0.00 H ATOM 1762 HB VAL A 110 -5.966 9.220 -0.509 1.00 0.00 H ATOM 1763 HG11 VAL A 110 -6.636 11.317 -1.563 1.00 0.00 H ATOM 1764 HG12 VAL A 110 -5.285 11.189 -2.717 1.00 0.00 H ATOM 1765 HG13 VAL A 110 -6.610 10.000 -2.761 1.00 0.00 H ATOM 1766 HG21 VAL A 110 -3.646 9.219 -2.479 1.00 0.00 H ATOM 1767 HG22 VAL A 110 -3.917 8.046 -1.167 1.00 0.00 H ATOM 1768 HG23 VAL A 110 -5.052 8.127 -2.537 1.00 0.00 H ATOM 1769 H VAL A 110 -2.404 10.871 -1.075 1.00 0.00 H ATOM 1770 N LYS A 111 -4.371 9.319 1.868 1.00 10.90 N ATOM 1771 CA LYS A 111 -3.953 8.233 2.739 1.00 10.16 C ATOM 1772 C LYS A 111 -4.063 6.919 1.970 1.00 10.12 C ATOM 1773 O LYS A 111 -5.127 6.577 1.448 1.00 16.70 O ATOM 1774 CB LYS A 111 -4.816 8.176 4.008 1.00 12.65 C ATOM 1775 CG LYS A 111 -4.499 6.964 4.891 1.00 13.26 C ATOM 1776 CD LYS A 111 -5.070 7.049 6.309 1.00 21.39 C ATOM 1777 CE LYS A 111 -6.579 7.104 6.334 1.00 28.38 C ATOM 1778 NZ LYS A 111 -7.081 6.865 7.721 1.00 28.66 N ATOM 1779 HA LYS A 111 -2.922 8.402 3.049 1.00 0.00 H ATOM 1780 HB2 LYS A 111 -4.644 9.083 4.587 1.00 0.00 H ATOM 1781 HB3 LYS A 111 -5.865 8.128 3.714 1.00 0.00 H ATOM 1782 HG2 LYS A 111 -4.909 6.075 4.411 1.00 0.00 H ATOM 1783 HG3 LYS A 111 -3.416 6.869 4.964 1.00 0.00 H ATOM 1784 HD2 LYS A 111 -4.745 6.172 6.868 1.00 0.00 H ATOM 1785 HD3 LYS A 111 -4.681 7.948 6.787 1.00 0.00 H ATOM 1786 HE2 LYS A 111 -6.979 6.338 5.669 1.00 0.00 H ATOM 1787 HE3 LYS A 111 -6.910 8.086 5.995 1.00 0.00 H ATOM 1788 HZ1 LYS A 111 -6.768 5.927 8.045 1.00 0.00 H ATOM 1789 HZ2 LYS A 111 -6.702 7.596 8.356 1.00 0.00 H ATOM 1790 HZ3 LYS A 111 -8.120 6.906 7.724 1.00 0.00 H ATOM 1791 H LYS A 111 -5.244 9.838 2.091 1.00 0.00 H ATOM 1792 N ILE A 112 -2.958 6.191 1.903 1.00 8.84 N ATOM 1793 CA ILE A 112 -2.912 4.927 1.181 1.00 9.72 C ATOM 1794 C ILE A 112 -3.506 3.790 2.001 1.00 8.34 C ATOM 1795 O ILE A 112 -3.151 3.588 3.159 1.00 10.66 O ATOM 1796 CB ILE A 112 -1.455 4.594 0.811 1.00 8.66 C ATOM 1797 CG1 ILE A 112 -0.935 5.615 -0.198 1.00 9.23 C ATOM 1798 CG2 ILE A 112 -1.314 3.163 0.265 1.00 13.21 C ATOM 1799 CD1 ILE A 112 0.570 5.575 -0.342 1.00 11.33 C ATOM 1800 HA ILE A 112 -3.510 5.035 0.276 1.00 0.00 H ATOM 1801 HB ILE A 112 -0.854 4.647 1.718 1.00 0.00 H ATOM 1802 HG12 ILE A 112 -1.385 5.407 -1.169 1.00 0.00 H ATOM 1803 HG13 ILE A 112 -1.228 6.612 0.131 1.00 0.00 H ATOM 1804 HD11 ILE A 112 1.032 5.790 0.622 1.00 0.00 H ATOM 1805 HD12 ILE A 112 0.875 4.584 -0.679 1.00 0.00 H ATOM 1806 HD13 ILE A 112 0.884 6.321 -1.072 1.00 0.00 H ATOM 1807 HG21 ILE A 112 -1.645 2.452 1.022 1.00 0.00 H ATOM 1808 HG22 ILE A 112 -1.927 3.055 -0.630 1.00 0.00 H ATOM 1809 HG23 ILE A 112 -0.270 2.971 0.017 1.00 0.00 H ATOM 1810 H ILE A 112 -2.099 6.532 2.380 1.00 0.00 H ATOM 1811 N GLY A 113 -4.405 3.031 1.392 1.00 13.52 N ATOM 1812 CA GLY A 113 -4.954 1.871 2.057 1.00 12.97 C ATOM 1813 C GLY A 113 -5.894 2.234 3.189 1.00 13.40 C ATOM 1814 O GLY A 113 -6.448 3.328 3.223 1.00 14.78 O ATOM 1815 HA3 GLY A 113 -4.133 1.280 2.462 1.00 0.00 H ATOM 1816 HA2 GLY A 113 -5.502 1.277 1.326 1.00 0.00 H ATOM 1817 H GLY A 113 -4.718 3.271 0.430 1.00 0.00 H ATOM 1818 N ASN A 114 -6.079 1.290 4.108 1.00 15.10 N ATOM 1819 CA ASN A 114 -6.945 1.483 5.261 1.00 14.97 C ATOM 1820 C ASN A 114 -6.240 0.989 6.512 1.00 12.11 C ATOM 1821 O ASN A 114 -6.693 0.048 7.166 1.00 14.45 O ATOM 1822 CB ASN A 114 -8.266 0.733 5.070 1.00 21.36 C ATOM 1823 CG ASN A 114 -9.296 1.079 6.133 1.00 24.13 C ATOM 1824 OD1 ASN A 114 -9.205 2.118 6.788 1.00 23.81 O ATOM 1825 ND2 ASN A 114 -10.286 0.209 6.305 1.00 32.00 N ATOM 1826 HA ASN A 114 -7.165 2.545 5.366 1.00 0.00 H ATOM 1827 HB2 ASN A 114 -8.674 0.989 4.092 1.00 0.00 H ATOM 1828 HB3 ASN A 114 -8.068 -0.338 5.111 1.00 0.00 H ATOM 1829 HD22 ASN A 114 -10.324 -0.656 5.729 1.00 0.00 H ATOM 1830 HD21 ASN A 114 -11.023 0.394 7.015 1.00 0.00 H ATOM 1831 H ASN A 114 -5.586 0.381 3.998 1.00 0.00 H ATOM 1832 N PRO A 115 -5.119 1.626 6.856 1.00 11.66 N ATOM 1833 CA PRO A 115 -4.346 1.161 8.008 1.00 10.88 C ATOM 1834 C PRO A 115 -5.116 1.380 9.307 1.00 11.86 C ATOM 1835 O PRO A 115 -5.874 2.338 9.419 1.00 14.48 O ATOM 1836 CB PRO A 115 -3.099 2.041 7.960 1.00 9.57 C ATOM 1837 CG PRO A 115 -3.565 3.313 7.311 1.00 10.13 C ATOM 1838 CD PRO A 115 -4.534 2.837 6.252 1.00 12.03 C ATOM 1839 HA PRO A 115 -4.124 0.094 7.975 1.00 0.00 H ATOM 1840 HD3 PRO A 115 -5.301 3.587 6.057 1.00 0.00 H ATOM 1841 HD2 PRO A 115 -4.014 2.600 5.324 1.00 0.00 H ATOM 1842 HG3 PRO A 115 -2.730 3.850 6.862 1.00 0.00 H ATOM 1843 HG2 PRO A 115 -4.064 3.959 8.033 1.00 0.00 H ATOM 1844 HB2 PRO A 115 -2.724 2.235 8.965 1.00 0.00 H ATOM 1845 HB3 PRO A 115 -2.316 1.569 7.367 1.00 0.00 H ATOM 1846 N VAL A 116 -4.903 0.509 10.285 1.00 12.08 N ATOM 1847 CA VAL A 116 -5.596 0.605 11.566 1.00 14.01 C ATOM 1848 C VAL A 116 -4.567 0.820 12.658 1.00 13.59 C ATOM 1849 O VAL A 116 -3.424 0.398 12.520 1.00 12.13 O ATOM 1850 CB VAL A 116 -6.448 -0.652 11.863 1.00 17.63 C ATOM 1851 CG1 VAL A 116 -7.518 -0.820 10.794 1.00 24.22 C ATOM 1852 CG2 VAL A 116 -5.577 -1.894 11.958 1.00 17.41 C ATOM 1853 HA VAL A 116 -6.286 1.448 11.526 1.00 0.00 H ATOM 1854 HB VAL A 116 -6.936 -0.518 12.828 1.00 0.00 H ATOM 1855 HG11 VAL A 116 -8.164 0.058 10.787 1.00 0.00 H ATOM 1856 HG12 VAL A 116 -7.042 -0.931 9.820 1.00 0.00 H ATOM 1857 HG13 VAL A 116 -8.112 -1.707 11.013 1.00 0.00 H ATOM 1858 HG21 VAL A 116 -5.054 -2.042 11.013 1.00 0.00 H ATOM 1859 HG22 VAL A 116 -4.851 -1.767 12.761 1.00 0.00 H ATOM 1860 HG23 VAL A 116 -6.204 -2.761 12.167 1.00 0.00 H ATOM 1861 H VAL A 116 -4.223 -0.264 10.135 1.00 0.00 H ATOM 1862 N PRO A 117 -4.955 1.481 13.753 1.00 12.93 N ATOM 1863 CA PRO A 117 -3.968 1.747 14.805 1.00 13.01 C ATOM 1864 C PRO A 117 -3.307 0.495 15.369 1.00 12.07 C ATOM 1865 O PRO A 117 -3.973 -0.500 15.651 1.00 15.11 O ATOM 1866 CB PRO A 117 -4.798 2.449 15.887 1.00 16.56 C ATOM 1867 CG PRO A 117 -5.910 3.068 15.152 1.00 19.66 C ATOM 1868 CD PRO A 117 -6.253 2.103 14.062 1.00 15.50 C ATOM 1869 HA PRO A 117 -3.132 2.331 14.421 1.00 0.00 H ATOM 1870 HD3 PRO A 117 -6.972 1.360 14.407 1.00 0.00 H ATOM 1871 HD2 PRO A 117 -6.657 2.621 13.192 1.00 0.00 H ATOM 1872 HG3 PRO A 117 -5.603 4.026 14.731 1.00 0.00 H ATOM 1873 HG2 PRO A 117 -6.765 3.219 15.811 1.00 0.00 H ATOM 1874 HB2 PRO A 117 -5.170 1.729 16.616 1.00 0.00 H ATOM 1875 HB3 PRO A 117 -4.204 3.207 16.398 1.00 0.00 H ATOM 1876 N TYR A 118 -1.990 0.551 15.517 1.00 12.26 N ATOM 1877 CA TYR A 118 -1.227 -0.514 16.139 1.00 13.99 C ATOM 1878 C TYR A 118 -1.466 -0.447 17.635 1.00 17.28 C ATOM 1879 O TYR A 118 -1.439 0.625 18.226 1.00 23.31 O ATOM 1880 CB TYR A 118 0.267 -0.360 15.833 1.00 14.23 C ATOM 1881 CG TYR A 118 1.107 -1.471 16.399 1.00 16.31 C ATOM 1882 CD1 TYR A 118 1.207 -2.696 15.750 1.00 20.28 C ATOM 1883 CD2 TYR A 118 1.786 -1.305 17.592 1.00 17.50 C ATOM 1884 CE1 TYR A 118 1.969 -3.716 16.271 1.00 21.58 C ATOM 1885 CE2 TYR A 118 2.553 -2.321 18.119 1.00 20.82 C ATOM 1886 CZ TYR A 118 2.639 -3.522 17.455 1.00 26.08 C ATOM 1887 OH TYR A 118 3.398 -4.538 17.979 1.00 31.92 O ATOM 1888 HA TYR A 118 -1.547 -1.479 15.746 1.00 0.00 H ATOM 1889 HB3 TYR A 118 0.611 0.584 16.255 1.00 0.00 H ATOM 1890 HB2 TYR A 118 0.399 -0.343 14.751 1.00 0.00 H ATOM 1891 HD2 TYR A 118 1.713 -0.356 18.123 1.00 0.00 H ATOM 1892 HE2 TYR A 118 3.089 -2.174 19.057 1.00 0.00 H ATOM 1893 HE1 TYR A 118 2.041 -4.670 15.749 1.00 0.00 H ATOM 1894 HD1 TYR A 118 0.673 -2.851 14.813 1.00 0.00 H ATOM 1895 HH TYR A 118 3.050 -4.781 18.874 1.00 0.00 H ATOM 1896 H TYR A 118 -1.484 1.392 15.173 1.00 0.00 H ATOM 1897 N ASN A 119 -1.707 -1.602 18.238 1.00 18.86 N ATOM 1898 CA ASN A 119 -1.970 -1.684 19.666 1.00 22.15 C ATOM 1899 C ASN A 119 -0.720 -2.099 20.415 1.00 25.95 C ATOM 1900 O ASN A 119 -0.303 -3.250 20.326 1.00 31.37 O ATOM 1901 CB ASN A 119 -3.094 -2.690 19.937 1.00 30.25 C ATOM 1902 CG ASN A 119 -4.410 -2.272 19.311 1.00 35.80 C ATOM 1903 OD1 ASN A 119 -4.842 -1.127 19.451 1.00 44.15 O ATOM 1904 ND2 ASN A 119 -5.048 -3.197 18.605 1.00 44.22 N ATOM 1905 HA ASN A 119 -2.277 -0.699 20.016 1.00 0.00 H ATOM 1906 HB2 ASN A 119 -2.804 -3.658 19.528 1.00 0.00 H ATOM 1907 HB3 ASN A 119 -3.232 -2.779 21.015 1.00 0.00 H ATOM 1908 HD22 ASN A 119 -4.645 -4.151 18.514 1.00 0.00 H ATOM 1909 HD21 ASN A 119 -5.951 -2.967 18.143 1.00 0.00 H ATOM 1910 H ASN A 119 -1.708 -2.476 17.674 1.00 0.00 H ATOM 1911 N GLU A 120 -0.125 -1.153 21.139 1.00 32.95 N ATOM 1912 CA GLU A 120 1.007 -1.426 22.029 1.00 41.94 C ATOM 1913 C GLU A 120 2.116 -2.230 21.348 1.00 48.73 C ATOM 1914 O GLU A 120 2.337 -3.402 21.665 1.00 56.78 O ATOM 1915 CB GLU A 120 0.526 -2.161 23.288 1.00 43.25 C ATOM 1916 CG GLU A 120 1.567 -2.247 24.397 1.00 46.67 C ATOM 1917 CD GLU A 120 1.292 -3.367 25.386 1.00 48.25 C ATOM 1918 OE1 GLU A 120 0.908 -4.477 24.952 1.00 48.54 O ATOM 1919 OE2 GLU A 120 1.465 -3.134 26.602 1.00 46.59 O ATOM 1920 HA GLU A 120 1.433 -0.461 22.303 1.00 0.00 H ATOM 1921 HB2 GLU A 120 -0.347 -1.637 23.678 1.00 0.00 H ATOM 1922 HB3 GLU A 120 0.243 -3.175 23.005 1.00 0.00 H ATOM 1923 HG2 GLU A 120 2.544 -2.416 23.944 1.00 0.00 H ATOM 1924 HG3 GLU A 120 1.577 -1.301 24.938 1.00 0.00 H ATOM 1925 H GLU A 120 -0.479 -0.178 21.070 1.00 0.00 H TER 1926 GLU A 120 HETATM 1927 O HOH 1 -1.316 4.840 4.634 1.00 9.71 O HETATM 1928 O HOH 2 4.002 -3.606 0.200 1.00 10.77 O HETATM 1929 O HOH 3 11.333 17.339 16.131 1.00 11.42 O HETATM 1930 O HOH 4 2.656 -3.404 10.968 1.00 12.20 O HETATM 1931 O HOH 5 -1.323 13.988 -6.872 1.00 15.43 O HETATM 1932 O HOH 6 -2.109 4.933 15.375 1.00 18.19 O HETATM 1933 O HOH 7 5.496 16.659 1.136 1.00 19.85 O HETATM 1934 O HOH 8 13.146 5.816 30.142 1.00 17.27 O HETATM 1935 O HOH 9 7.381 13.713 -5.406 1.00 19.74 O HETATM 1936 O HOH 10 0.162 -5.729 13.263 1.00 21.39 O HETATM 1937 O HOH 11 -5.490 -2.412 8.007 1.00 19.89 O HETATM 1938 O HOH 12 18.771 15.960 16.244 1.00 20.92 O HETATM 1939 O HOH 13 1.628 18.212 7.364 1.00 23.72 O HETATM 1940 O HOH 14 0.034 17.787 3.068 1.00 20.51 O HETATM 1941 O HOH 15 0.207 -7.149 -2.568 1.00 27.33 O HETATM 1942 O HOH 16 2.807 -0.325 -5.750 1.00 23.11 O HETATM 1943 O HOH 17 13.259 23.963 14.510 1.00 23.52 O HETATM 1944 O HOH 18 -1.616 3.225 17.577 1.00 22.73 O HETATM 1945 O HOH 19 4.554 1.450 23.224 1.00 21.81 O HETATM 1946 O HOH 20 13.688 23.725 1.308 1.00 23.93 O HETATM 1947 O HOH 21 13.734 24.922 10.256 1.00 27.35 O HETATM 1948 O HOH 22 5.271 20.316 6.876 1.00 22.07 O HETATM 1949 O HOH 23 3.256 -0.612 26.660 1.00 27.74 O HETATM 1950 O HOH 24 15.405 27.149 2.405 1.00 25.66 O HETATM 1951 O HOH 25 9.849 -5.988 22.218 1.00 27.65 O HETATM 1952 O HOH 26 14.114 10.973 -2.765 1.00 25.13 O HETATM 1953 O HOH 27 -7.273 4.081 7.827 1.00 22.70 O HETATM 1954 O HOH 28 14.181 26.036 7.874 1.00 26.97 O HETATM 1955 O HOH 29 4.063 4.479 22.218 1.00 24.76 O HETATM 1956 O HOH 30 2.152 -1.271 -8.212 1.00 31.57 O HETATM 1957 O HOH 31 11.985 -5.616 23.943 1.00 24.98 O HETATM 1958 O HOH 32 11.163 7.947 30.845 1.00 24.95 O HETATM 1959 O HOH 33 -1.255 19.039 12.714 1.00 26.63 O HETATM 1960 O HOH 34 -3.270 12.153 5.718 1.00 26.66 O HETATM 1961 O HOH 35 10.956 -2.086 19.908 1.00 29.08 O HETATM 1962 O HOH 36 1.539 -6.106 10.846 1.00 24.60 O HETATM 1963 O HOH 37 -5.289 7.431 10.128 1.00 30.57 O HETATM 1964 O HOH 38 -3.880 6.803 16.459 1.00 35.89 O HETATM 1965 O HOH 39 -6.600 -0.766 16.353 1.00 28.55 O HETATM 1966 O HOH 40 7.640 27.178 9.045 1.00 37.65 O HETATM 1967 O HOH 41 5.496 -0.526 24.878 1.00 23.94 O HETATM 1968 O HOH 42 7.537 -2.070 21.288 1.00 32.83 O HETATM 1969 O HOH 43 8.798 16.869 -0.631 1.00 31.34 O HETATM 1970 O HOH 44 19.577 20.092 10.717 1.00 31.39 O HETATM 1971 O HOH 45 -5.586 10.873 6.233 1.00 31.11 O HETATM 1972 O HOH 46 3.925 -4.494 20.420 1.00 40.46 O HETATM 1973 O HOH 47 -6.109 10.040 10.794 1.00 39.56 O HETATM 1974 O HOH 48 17.856 -4.933 12.859 1.00 33.47 O HETATM 1975 O HOH 49 -4.456 -1.053 3.764 1.00 31.81 O HETATM 1976 O HOH 50 13.760 3.375 -2.156 1.00 28.10 O HETATM 1977 O HOH 51 6.871 11.835 -7.534 1.00 35.86 O HETATM 1978 O HOH 52 -1.910 0.842 -13.925 1.00 39.06 O HETATM 1979 O HOH 53 22.483 12.619 9.531 1.00 31.27 O HETATM 1980 O HOH 54 -0.218 19.424 5.517 1.00 36.24 O HETATM 1981 O HOH 55 -5.749 7.391 14.442 1.00 39.09 O HETATM 1982 O HOH 56 17.740 -3.094 5.215 1.00 41.50 O HETATM 1983 O HOH 57 3.207 21.470 4.719 1.00 41.51 O HETATM 1984 O HOH 58 19.877 3.158 14.647 1.00 34.25 O HETATM 1985 O HOH 59 -3.099 -4.459 15.044 1.00 25.79 O HETATM 1986 O HOH 60 -6.173 -3.047 15.423 1.00 35.94 O HETATM 1987 O HOH 61 14.902 29.379 3.854 1.00 37.84 O HETATM 1988 O HOH 62 13.527 26.553 15.813 1.00 34.23 O HETATM 1989 O HOH 63 -3.671 2.984 -12.548 1.00 32.64 O HETATM 1990 O HOH 64 18.734 -7.022 10.391 1.00 37.67 O HETATM 1991 O HOH 65 13.771 28.127 0.014 1.00 34.48 O HETATM 1992 O HOH 66 -6.711 9.633 8.549 1.00 53.04 O HETATM 1993 O HOH 67 3.307 -8.325 10.760 1.00 35.37 O HETATM 1994 O HOH 68 -2.994 17.516 14.236 1.00 42.89 O HETATM 1995 O HOH 69 13.428 7.119 -5.291 1.00 48.50 O HETATM 1996 O HOH 70 0.558 4.580 18.619 1.00 31.00 O HETATM 1997 O HOH 71 -3.324 -6.449 15.220 1.00 38.00 O HETATM 1998 O HOH 72 -2.387 17.465 8.180 1.00 47.23 O HETATM 1999 O HOH 73 -7.211 5.067 1.630 1.00 15.30 O HETATM 2000 O HOH 74 5.780 -7.660 10.720 1.00 23.40 O HETATM 2001 O HOH 75 19.929 13.654 9.120 1.00 36.22 O HETATM 2002 O HOH 76 1.644 11.183 -9.075 1.00 45.88 O HETATM 2003 O HOH 77 -4.807 12.456 10.916 1.00 42.91 O HETATM 2004 O HOH 78 17.118 -6.699 12.251 1.00 40.74 O HETATM 2005 O HOH 79 2.491 1.984 29.506 1.00 43.25 O HETATM 2006 O HOH 80 7.995 -8.875 12.094 1.00 47.47 O HETATM 2007 O HOH 81 -5.040 5.738 12.356 1.00 28.76 O HETATM 2008 O HOH 82 5.123 17.377 -6.087 1.00 40.69 O HETATM 2009 O HOH 83 6.669 16.037 -6.624 1.00 43.14 O HETATM 2010 O HOH 84 3.625 20.333 1.518 1.00 43.11 O HETATM 2011 O HOH 85 5.083 19.231 -4.304 1.00 41.53 O HETATM 2012 O HOH 86 7.168 22.151 19.673 1.00 18.79 O HETATM 2013 O HOH 87 18.009 2.400 11.763 1.00 18.69 O HETATM 2014 O HOH 88 7.092 7.468 31.459 1.00 22.14 O HETATM 2015 O HOH 89 -0.081 17.396 9.405 1.00 28.96 O HETATM 2016 O HOH 90 16.336 2.527 9.102 1.00 27.09 O HETATM 2017 O HOH 91 14.376 7.727 27.326 1.00 32.44 O HETATM 2018 O HOH 92 -7.273 4.445 11.447 1.00 49.00 O HETATM 2019 O HOH 93 10.540 31.047 26.961 1.00 44.04 O HETATM 2020 O HOH 94 13.156 13.951 -2.563 1.00 44.11 O HETATM 2021 O HOH 95 -2.654 18.926 6.270 1.00 54.16 O HETATM 2022 O HOH 96 19.304 7.442 -0.854 1.00 33.97 O HETATM 2023 O HOH 97 9.921 27.134 13.474 1.00 47.18 O HETATM 2024 O HOH 98 17.504 7.190 -1.844 1.00 30.27 O HETATM 2025 O HOH 99 -1.398 7.060 -3.812 1.00 51.89 O HETATM 2026 O HOH 100 21.776 19.888 10.214 1.00 52.73 O HETATM 2027 O HOH 101 6.388 -9.148 8.517 1.00 48.36 O HETATM 2028 O HOH 102 11.138 8.475 -5.500 1.00 55.54 O HETATM 2029 O01 UNN A 103 15.669 12.986 20.304 1.00 -0.25 O HETATM 2030 C02 UNN A 103 16.781 13.066 19.616 1.00 0.15 C HETATM 2031 C04 UNN A 103 17.585 11.966 19.938 1.00 -0.05 C HETATM 2032 C05 UNN A 103 16.832 11.216 20.899 1.00 -0.05 C HETATM 2033 C03 UNN A 103 15.639 11.928 21.079 1.00 0.12 C HETATM 2034 C07 UNN A 103 14.487 11.593 21.960 1.00 0.01 C HETATM 2035 C09 UNN A 103 14.568 10.616 22.943 1.00 -0.04 C HETATM 2036 C08 UNN A 103 13.455 10.345 23.728 1.00 0.07 C HETATM 2037 C10 UNN A 103 12.278 11.053 23.528 1.00 0.15 C HETATM 2038 C13 UNN A 103 12.202 12.028 22.549 1.00 -0.03 C HETATM 2039 C12 UNN A 103 13.308 12.297 21.765 1.00 -0.06 C HETATM 2040 H4 UNN A 103 13.254 13.059 20.996 1.00 0.06 H HETATM 2041 H5 UNN A 103 11.280 12.578 22.398 1.00 0.06 H HETATM 2042 F16 UNN A 103 11.215 10.798 24.275 1.00 -0.18 F HETATM 2043 CL1 UNN A 103 13.527 9.132 24.958 1.00 -0.07 CL HETATM 2044 H3 UNN A 103 15.492 10.070 23.096 1.00 0.06 H HETATM 2045 H2 UNN A 103 17.125 10.288 21.387 1.00 0.04 H HETATM 2046 H1 UNN A 103 18.572 11.731 19.543 1.00 0.04 H HETATM 2047 C06 UNN A 103 17.095 14.172 18.669 1.00 0.09 C HETATM 2048 O11 UNN A 103 16.306 15.154 18.596 1.00 -0.56 O HETATM 2049 O15 UNN A 103 18.141 14.132 17.967 1.00 -0.56 O CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2029 2030 2033 CONECT 2030 2029 2031 2047 CONECT 2031 2030 2032 2046 CONECT 2032 2031 2033 2045 CONECT 2033 2029 2032 2034 CONECT 2034 2033 2035 2039 CONECT 2035 2034 2036 2044 CONECT 2036 2035 2037 2043 CONECT 2037 2036 2038 2042 CONECT 2038 2037 2039 2041 CONECT 2039 2034 2038 2040 CONECT 2040 2039 CONECT 2041 2038 CONECT 2042 2037 CONECT 2043 2036 CONECT 2044 2035 CONECT 2045 2032 CONECT 2046 2031 CONECT 2047 2030 2048 2049 CONECT 2048 2047 CONECT 2049 2047 MASTER 0 0 0 0 0 0 0 0 2048 1 25 10 END
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Structure:
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Protein
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Related entries of code: 4luv
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Protein Sequence Similarity
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4lw1
RCSB PDB
PDBbind
1XS
Entry Information
PDB ID
4luv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit
Ligand Name
1XS
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=1400uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 9242-9250
Ligand Properties
Formula
C
1
1
H
6
ClFO
3
Molecular Weight
240.615
Exact Mass
239.999
No. of atoms
22
No. of bonds
23
Polar Surface Area
50.44
LOGP Value
4.02 (
Computed with XLOGP3
)
3.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)c1ccc(o1)c1ccc(c(c1)Cl)F
InChI String
InChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
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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times since Nov 2007.
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