Browse entries in the PDBbind-CN Database
HEADER 1RU1_COMPLEX COMPND 1RU1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SER SEQRES 2 A 44 PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU GLY SEQRES 3 A 44 ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER PHE SEQRES 4 A 44 TYR ARG THR PRO PRO SEQRES 1 A 32 PRO ASP TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER SEQRES 2 A 32 LEU ALA PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE SEQRES 3 A 32 GLU LEU GLN GLN GLY ARG SEQRES 1 A 67 ARG THR LEU ASP LEU ASP ILE MET LEU PHE GLY ASN GLU SEQRES 2 A 67 VAL ILE ASN THR GLU ARG LEU THR VAL PRO HIS TYR ASP SEQRES 3 A 67 MET LYS ASN ARG GLY PHE MET LEU TRP PRO LEU PHE GLU SEQRES 4 A 67 ILE ALA PRO GLU LEU VAL PHE PRO ASP GLY GLU MET LEU SEQRES 5 A 67 ARG GLN ILE LEU HIS THR ARG ALA PHE ASP LYS LEU ASN SEQRES 6 A 67 LYS TRP HET MG A 1 1 HET MG A 2 1 HET APC A 370 45 ATOM 1 N THR A 1 -2.568 16.631 6.685 1.00 21.62 N ATOM 2 CA THR A 1 -1.556 15.938 5.878 1.00 23.53 C ATOM 3 C THR A 1 -2.002 14.507 5.641 1.00 15.01 C ATOM 4 O THR A 1 -2.627 13.951 6.542 1.00 16.10 O ATOM 5 CB THR A 1 -0.180 15.966 6.566 1.00 27.17 C ATOM 6 OG1 THR A 1 0.286 17.333 6.471 1.00 31.45 O ATOM 7 CG2 THR A 1 0.863 15.085 5.921 1.00 30.52 C ATOM 8 HA THR A 1 -1.455 16.453 4.922 1.00 0.00 H ATOM 9 HB THR A 1 -0.308 15.595 7.583 1.00 0.00 H ATOM 10 HG1 THR A 1 -0.356 17.932 6.929 1.00 0.00 H ATOM 11 HG23 THR A 1 0.542 14.045 5.976 1.00 0.00 H ATOM 12 HG21 THR A 1 0.986 15.374 4.877 1.00 0.00 H ATOM 13 HG22 THR A 1 1.811 15.202 6.446 1.00 0.00 H ATOM 14 HN3 THR A 1 -2.676 16.143 7.597 1.00 0.00 H ATOM 15 HN2 THR A 1 -3.476 16.627 6.178 1.00 0.00 H ATOM 16 HN1 THR A 1 -2.266 17.612 6.850 1.00 0.00 H ATOM 17 N VAL A 2 -1.646 13.930 4.490 1.00 16.19 N ATOM 18 CA VAL A 2 -2.060 12.544 4.292 1.00 16.00 C ATOM 19 C VAL A 2 -0.912 11.593 4.650 1.00 14.46 C ATOM 20 O VAL A 2 0.175 11.621 4.055 1.00 16.60 O ATOM 21 CB VAL A 2 -2.545 12.319 2.857 1.00 18.44 C ATOM 22 CG1 VAL A 2 -2.911 10.850 2.686 1.00 14.47 C ATOM 23 CG2 VAL A 2 -3.743 13.180 2.511 1.00 20.67 C ATOM 24 HA VAL A 2 -2.897 12.331 4.957 1.00 0.00 H ATOM 25 HB VAL A 2 -1.737 12.601 2.182 1.00 0.00 H ATOM 26 HG11 VAL A 2 -2.034 10.233 2.881 1.00 0.00 H ATOM 27 HG12 VAL A 2 -3.703 10.590 3.389 1.00 0.00 H ATOM 28 HG13 VAL A 2 -3.258 10.680 1.667 1.00 0.00 H ATOM 29 HG21 VAL A 2 -4.566 12.944 3.186 1.00 0.00 H ATOM 30 HG22 VAL A 2 -3.476 14.231 2.616 1.00 0.00 H ATOM 31 HG23 VAL A 2 -4.047 12.982 1.483 1.00 0.00 H ATOM 32 H VAL A 2 -1.100 14.444 3.769 1.00 0.00 H ATOM 33 N ALA A 3 -1.157 10.783 5.664 1.00 14.65 N ATOM 34 CA ALA A 3 -0.282 9.717 6.115 1.00 12.08 C ATOM 35 C ALA A 3 -0.783 8.391 5.569 1.00 11.42 C ATOM 36 O ALA A 3 -1.986 8.128 5.539 1.00 19.09 O ATOM 37 CB ALA A 3 -0.191 9.706 7.628 1.00 12.52 C ATOM 38 HA ALA A 3 0.726 9.885 5.736 1.00 0.00 H ATOM 39 HB1 ALA A 3 0.207 10.660 7.974 1.00 0.00 H ATOM 40 HB2 ALA A 3 -1.184 9.551 8.049 1.00 0.00 H ATOM 41 HB3 ALA A 3 0.470 8.899 7.945 1.00 0.00 H ATOM 42 H ALA A 3 -2.049 10.920 6.181 1.00 0.00 H ATOM 43 N TYR A 4 0.168 7.573 5.118 1.00 13.42 N ATOM 44 CA TYR A 4 -0.186 6.252 4.633 1.00 10.94 C ATOM 45 C TYR A 4 0.322 5.242 5.649 1.00 11.18 C ATOM 46 O TYR A 4 1.542 5.212 5.888 1.00 12.51 O ATOM 47 CB TYR A 4 0.366 5.964 3.226 1.00 14.59 C ATOM 48 CG TYR A 4 -0.377 6.732 2.160 1.00 13.76 C ATOM 49 CD1 TYR A 4 -1.578 6.263 1.676 1.00 14.01 C ATOM 50 CD2 TYR A 4 0.114 7.914 1.655 1.00 15.52 C ATOM 51 CE1 TYR A 4 -2.273 6.950 0.706 1.00 13.89 C ATOM 52 CE2 TYR A 4 -0.565 8.617 0.687 1.00 15.89 C ATOM 53 CZ TYR A 4 -1.754 8.125 0.219 1.00 15.44 C ATOM 54 OH TYR A 4 -2.476 8.792 -0.744 1.00 23.78 O ATOM 55 HA TYR A 4 -1.269 6.184 4.531 1.00 0.00 H ATOM 56 HB3 TYR A 4 0.272 4.897 3.022 1.00 0.00 H ATOM 57 HB2 TYR A 4 1.418 6.247 3.196 1.00 0.00 H ATOM 58 HD2 TYR A 4 1.061 8.302 2.030 1.00 0.00 H ATOM 59 HE2 TYR A 4 -0.162 9.552 0.298 1.00 0.00 H ATOM 60 HE1 TYR A 4 -3.222 6.567 0.330 1.00 0.00 H ATOM 61 HD1 TYR A 4 -1.986 5.331 2.068 1.00 0.00 H ATOM 62 HH TYR A 4 -3.300 8.282 -0.949 1.00 0.00 H ATOM 63 H TYR A 4 1.161 7.881 5.114 1.00 0.00 H ATOM 64 N ILE A 5 -0.573 4.448 6.209 1.00 11.27 N ATOM 65 CA ILE A 5 -0.185 3.450 7.194 1.00 12.13 C ATOM 66 C ILE A 5 -0.409 2.046 6.656 1.00 9.64 C ATOM 67 O ILE A 5 -1.447 1.736 6.083 1.00 11.09 O ATOM 68 CB ILE A 5 -1.011 3.679 8.466 1.00 10.68 C ATOM 69 CG1 ILE A 5 -0.834 5.086 9.029 1.00 14.76 C ATOM 70 CG2 ILE A 5 -0.689 2.621 9.499 1.00 16.01 C ATOM 71 CD1 ILE A 5 -1.805 5.490 10.114 1.00 19.97 C ATOM 72 HA ILE A 5 0.877 3.549 7.419 1.00 0.00 H ATOM 73 HB ILE A 5 -2.063 3.590 8.196 1.00 0.00 H ATOM 74 HG12 ILE A 5 0.174 5.158 9.439 1.00 0.00 H ATOM 75 HG13 ILE A 5 -0.941 5.792 8.205 1.00 0.00 H ATOM 76 HD11 ILE A 5 -2.822 5.444 9.725 1.00 0.00 H ATOM 77 HD12 ILE A 5 -1.707 4.809 10.960 1.00 0.00 H ATOM 78 HD13 ILE A 5 -1.584 6.507 10.437 1.00 0.00 H ATOM 79 HG21 ILE A 5 -0.923 1.637 9.094 1.00 0.00 H ATOM 80 HG22 ILE A 5 0.371 2.670 9.749 1.00 0.00 H ATOM 81 HG23 ILE A 5 -1.283 2.798 10.396 1.00 0.00 H ATOM 82 H ILE A 5 -1.574 4.538 5.941 1.00 0.00 H ATOM 83 N ALA A 6 0.600 1.207 6.873 1.00 12.58 N ATOM 84 CA ALA A 6 0.474 -0.201 6.543 1.00 13.09 C ATOM 85 C ALA A 6 0.002 -0.998 7.760 1.00 10.93 C ATOM 86 O ALA A 6 0.533 -0.798 8.853 1.00 13.87 O ATOM 87 CB ALA A 6 1.781 -0.809 6.065 1.00 13.38 C ATOM 88 HA ALA A 6 -0.255 -0.256 5.735 1.00 0.00 H ATOM 89 HB1 ALA A 6 2.119 -0.284 5.171 1.00 0.00 H ATOM 90 HB2 ALA A 6 2.532 -0.715 6.849 1.00 0.00 H ATOM 91 HB3 ALA A 6 1.627 -1.863 5.833 1.00 0.00 H ATOM 92 H ALA A 6 1.487 1.563 7.283 1.00 0.00 H ATOM 93 N ILE A 7 -0.937 -1.888 7.520 1.00 11.66 N ATOM 94 CA ILE A 7 -1.402 -2.808 8.547 1.00 12.11 C ATOM 95 C ILE A 7 -0.971 -4.214 8.184 1.00 12.21 C ATOM 96 O ILE A 7 -1.187 -4.613 7.047 1.00 15.45 O ATOM 97 CB ILE A 7 -2.940 -2.785 8.714 1.00 13.14 C ATOM 98 CG1 ILE A 7 -3.458 -1.413 9.138 1.00 14.67 C ATOM 99 CG2 ILE A 7 -3.393 -3.870 9.666 1.00 14.37 C ATOM 100 CD1 ILE A 7 -4.948 -1.211 8.893 1.00 19.75 C ATOM 101 HA ILE A 7 -0.962 -2.491 9.492 1.00 0.00 H ATOM 102 HB ILE A 7 -3.375 -2.989 7.736 1.00 0.00 H ATOM 103 HG12 ILE A 7 -3.265 -1.288 10.204 1.00 0.00 H ATOM 104 HG13 ILE A 7 -2.912 -0.653 8.580 1.00 0.00 H ATOM 105 HD11 ILE A 7 -5.158 -1.320 7.829 1.00 0.00 H ATOM 106 HD12 ILE A 7 -5.512 -1.956 9.454 1.00 0.00 H ATOM 107 HD13 ILE A 7 -5.237 -0.212 9.221 1.00 0.00 H ATOM 108 HG21 ILE A 7 -3.096 -4.843 9.274 1.00 0.00 H ATOM 109 HG22 ILE A 7 -2.931 -3.713 10.640 1.00 0.00 H ATOM 110 HG23 ILE A 7 -4.478 -3.833 9.767 1.00 0.00 H ATOM 111 H ILE A 7 -1.358 -1.935 6.570 1.00 0.00 H ATOM 112 N GLY A 8 -0.435 -4.923 9.160 1.00 12.42 N ATOM 113 CA GLY A 8 -0.019 -6.304 9.019 1.00 14.54 C ATOM 114 C GLY A 8 -0.491 -7.102 10.237 1.00 13.32 C ATOM 115 O GLY A 8 -0.256 -6.690 11.374 1.00 17.14 O ATOM 116 HA3 GLY A 8 1.068 -6.352 8.951 1.00 0.00 H ATOM 117 HA2 GLY A 8 -0.457 -6.726 8.115 1.00 0.00 H ATOM 118 H GLY A 8 -0.304 -4.464 10.084 1.00 0.00 H ATOM 119 N SER A 9 -1.150 -8.222 9.960 1.00 15.17 N ATOM 120 CA SER A 9 -1.575 -9.151 10.988 1.00 17.91 C ATOM 121 C SER A 9 -1.407 -10.586 10.489 1.00 17.79 C ATOM 122 O SER A 9 -1.788 -10.928 9.391 1.00 18.86 O ATOM 123 CB SER A 9 -3.025 -9.024 11.434 1.00 18.73 C ATOM 124 OG SER A 9 -3.401 -10.126 12.269 1.00 22.48 O ATOM 125 HA SER A 9 -0.944 -8.905 11.842 1.00 0.00 H ATOM 126 HB2 SER A 9 -3.669 -9.006 10.555 1.00 0.00 H ATOM 127 HB3 SER A 9 -3.147 -8.095 11.991 1.00 0.00 H ATOM 128 HG SER A 9 -4.346 -10.021 12.546 1.00 0.00 H ATOM 129 H SER A 9 -1.369 -8.440 8.967 1.00 0.00 H ATOM 130 N ASN A 10 -0.810 -11.353 11.398 1.00 20.79 N ATOM 131 CA ASN A 10 -0.529 -12.736 11.022 1.00 22.92 C ATOM 132 C ASN A 10 -1.243 -13.749 11.901 1.00 18.94 C ATOM 133 O ASN A 10 -0.877 -14.917 11.881 1.00 21.92 O ATOM 134 CB ASN A 10 0.981 -12.969 10.983 1.00 35.32 C ATOM 135 CG ASN A 10 1.656 -13.261 12.287 1.00 42.06 C ATOM 136 OD1 ASN A 10 2.687 -13.942 12.262 1.00 46.60 O ATOM 137 ND2 ASN A 10 1.156 -12.806 13.426 1.00 44.80 N ATOM 138 HA ASN A 10 -0.931 -12.894 10.021 1.00 0.00 H ATOM 139 HB2 ASN A 10 1.167 -13.814 10.319 1.00 0.00 H ATOM 140 HB3 ASN A 10 1.442 -12.073 10.567 1.00 0.00 H ATOM 141 HD22 ASN A 10 0.287 -12.235 13.421 1.00 0.00 H ATOM 142 HD21 ASN A 10 1.632 -13.020 14.325 1.00 0.00 H ATOM 143 H ASN A 10 -0.554 -10.983 12.336 1.00 0.00 H ATOM 144 N LEU A 11 -2.269 -13.307 12.619 1.00 15.46 N ATOM 145 CA LEU A 11 -3.157 -14.285 13.216 1.00 19.52 C ATOM 146 C LEU A 11 -3.825 -15.178 12.176 1.00 17.78 C ATOM 147 O LEU A 11 -4.040 -14.783 11.035 1.00 20.18 O ATOM 148 CB LEU A 11 -4.302 -13.570 13.919 1.00 20.86 C ATOM 149 CG LEU A 11 -3.927 -12.571 15.009 1.00 22.18 C ATOM 150 CD1 LEU A 11 -5.209 -12.056 15.641 1.00 24.15 C ATOM 151 CD2 LEU A 11 -2.954 -13.245 15.959 1.00 34.10 C ATOM 152 HA LEU A 11 -2.541 -14.881 13.890 1.00 0.00 H ATOM 153 HB2 LEU A 11 -4.870 -13.032 13.160 1.00 0.00 H ATOM 154 HB3 LEU A 11 -4.936 -14.331 14.374 1.00 0.00 H ATOM 155 HG LEU A 11 -3.408 -11.691 14.630 1.00 0.00 H ATOM 156 HD21 LEU A 11 -3.428 -14.121 16.401 1.00 0.00 H ATOM 157 HD22 LEU A 11 -2.064 -13.551 15.409 1.00 0.00 H ATOM 158 HD23 LEU A 11 -2.674 -12.546 16.747 1.00 0.00 H ATOM 159 HD11 LEU A 11 -5.818 -11.570 14.879 1.00 0.00 H ATOM 160 HD12 LEU A 11 -5.762 -12.891 16.071 1.00 0.00 H ATOM 161 HD13 LEU A 11 -4.964 -11.339 16.424 1.00 0.00 H ATOM 162 H LEU A 11 -2.431 -12.288 12.749 1.00 0.00 H ATOM 163 N ALA A 12 -4.178 -16.393 12.575 1.00 18.07 N ATOM 164 CA ALA A 12 -4.886 -17.337 11.732 1.00 20.59 C ATOM 165 C ALA A 12 -6.228 -16.772 11.255 1.00 19.71 C ATOM 166 O ALA A 12 -6.624 -17.014 10.115 1.00 19.73 O ATOM 167 CB ALA A 12 -5.041 -18.654 12.482 1.00 19.33 C ATOM 168 HA ALA A 12 -4.306 -17.521 10.828 1.00 0.00 H ATOM 169 HB1 ALA A 12 -4.055 -19.048 12.729 1.00 0.00 H ATOM 170 HB2 ALA A 12 -5.606 -18.484 13.399 1.00 0.00 H ATOM 171 HB3 ALA A 12 -5.573 -19.368 11.853 1.00 0.00 H ATOM 172 H ALA A 12 -3.934 -16.684 13.543 1.00 0.00 H ATOM 173 N SER A 13 -6.922 -16.013 12.086 1.00 19.19 N ATOM 174 CA SER A 13 -8.173 -15.335 11.780 1.00 17.78 C ATOM 175 C SER A 13 -8.037 -13.869 12.188 1.00 17.32 C ATOM 176 O SER A 13 -8.472 -13.503 13.287 1.00 18.84 O ATOM 177 CB SER A 13 -9.370 -15.934 12.514 1.00 22.54 C ATOM 178 OG SER A 13 -9.775 -17.174 11.962 1.00 25.62 O ATOM 179 HA SER A 13 -8.356 -15.448 10.711 1.00 0.00 H ATOM 180 HB2 SER A 13 -10.204 -15.235 12.454 1.00 0.00 H ATOM 181 HB3 SER A 13 -9.100 -16.087 13.559 1.00 0.00 H ATOM 182 HG SER A 13 -9.026 -17.819 12.018 1.00 0.00 H ATOM 183 H SER A 13 -6.539 -15.889 13.045 1.00 0.00 H ATOM 184 N PRO A 14 -7.418 -13.113 11.284 1.00 14.08 N ATOM 185 CA PRO A 14 -7.052 -11.724 11.571 1.00 13.67 C ATOM 186 C PRO A 14 -8.110 -10.660 11.333 1.00 12.97 C ATOM 187 O PRO A 14 -7.863 -9.501 11.683 1.00 13.57 O ATOM 188 CB PRO A 14 -5.923 -11.518 10.539 1.00 16.80 C ATOM 189 CG PRO A 14 -6.475 -12.261 9.350 1.00 14.27 C ATOM 190 CD PRO A 14 -6.974 -13.555 9.949 1.00 12.85 C ATOM 191 HA PRO A 14 -6.829 -11.605 12.631 1.00 0.00 H ATOM 192 HD3 PRO A 14 -7.801 -13.968 9.371 1.00 0.00 H ATOM 193 HD2 PRO A 14 -6.176 -14.295 10.020 1.00 0.00 H ATOM 194 HG3 PRO A 14 -5.697 -12.448 8.610 1.00 0.00 H ATOM 195 HG2 PRO A 14 -7.290 -11.705 8.886 1.00 0.00 H ATOM 196 HB2 PRO A 14 -5.773 -10.462 10.316 1.00 0.00 H ATOM 197 HB3 PRO A 14 -4.984 -11.953 10.881 1.00 0.00 H ATOM 198 N LEU A 15 -9.251 -11.027 10.750 1.00 14.01 N ATOM 199 CA LEU A 15 -10.220 -10.024 10.326 1.00 13.67 C ATOM 200 C LEU A 15 -10.723 -9.180 11.487 1.00 13.66 C ATOM 201 O LEU A 15 -10.881 -7.975 11.328 1.00 16.21 O ATOM 202 CB LEU A 15 -11.403 -10.677 9.578 1.00 15.21 C ATOM 203 CG LEU A 15 -11.106 -11.080 8.125 1.00 15.11 C ATOM 204 CD1 LEU A 15 -12.305 -11.814 7.551 1.00 15.96 C ATOM 205 CD2 LEU A 15 -10.730 -9.896 7.249 1.00 16.73 C ATOM 206 HA LEU A 15 -9.700 -9.355 9.640 1.00 0.00 H ATOM 207 HB2 LEU A 15 -11.697 -11.573 10.125 1.00 0.00 H ATOM 208 HB3 LEU A 15 -12.232 -9.969 9.571 1.00 0.00 H ATOM 209 HG LEU A 15 -10.238 -11.739 8.135 1.00 0.00 H ATOM 210 HD21 LEU A 15 -11.552 -9.181 7.235 1.00 0.00 H ATOM 211 HD22 LEU A 15 -9.837 -9.417 7.651 1.00 0.00 H ATOM 212 HD23 LEU A 15 -10.532 -10.244 6.235 1.00 0.00 H ATOM 213 HD11 LEU A 15 -12.501 -12.707 8.145 1.00 0.00 H ATOM 214 HD12 LEU A 15 -13.177 -11.160 7.577 1.00 0.00 H ATOM 215 HD13 LEU A 15 -12.095 -12.100 6.520 1.00 0.00 H ATOM 216 H LEU A 15 -9.451 -12.036 10.597 1.00 0.00 H ATOM 217 N GLU A 16 -11.000 -9.781 12.647 1.00 16.54 N ATOM 218 CA GLU A 16 -11.500 -8.973 13.761 1.00 16.78 C ATOM 219 C GLU A 16 -10.425 -8.071 14.347 1.00 16.47 C ATOM 220 O GLU A 16 -10.695 -6.923 14.719 1.00 15.95 O ATOM 221 CB GLU A 16 -12.141 -9.881 14.833 1.00 17.90 C ATOM 222 CG GLU A 16 -13.444 -10.476 14.299 1.00 23.47 C ATOM 223 CD GLU A 16 -14.023 -11.599 15.118 1.00 31.92 C ATOM 224 OE1 GLU A 16 -13.418 -11.982 16.147 1.00 40.09 O ATOM 225 OE2 GLU A 16 -15.109 -12.102 14.730 1.00 38.92 O ATOM 226 HA GLU A 16 -12.271 -8.307 13.373 1.00 0.00 H ATOM 227 HB2 GLU A 16 -11.451 -10.687 15.084 1.00 0.00 H ATOM 228 HB3 GLU A 16 -12.351 -9.293 15.726 1.00 0.00 H ATOM 229 HG2 GLU A 16 -14.184 -9.677 14.251 1.00 0.00 H ATOM 230 HG3 GLU A 16 -13.255 -10.855 13.295 1.00 0.00 H ATOM 231 H GLU A 16 -10.863 -10.806 12.757 1.00 0.00 H ATOM 232 N GLN A 17 -9.197 -8.548 14.423 1.00 14.99 N ATOM 233 CA GLN A 17 -8.093 -7.708 14.885 1.00 16.00 C ATOM 234 C GLN A 17 -7.848 -6.525 13.966 1.00 14.51 C ATOM 235 O GLN A 17 -7.643 -5.379 14.379 1.00 14.10 O ATOM 236 CB GLN A 17 -6.794 -8.513 15.008 1.00 13.21 C ATOM 237 CG GLN A 17 -5.660 -7.638 15.583 1.00 16.13 C ATOM 238 CD GLN A 17 -4.356 -8.405 15.654 1.00 18.32 C ATOM 239 OE1 GLN A 17 -3.800 -8.613 16.741 1.00 29.88 O ATOM 240 NE2 GLN A 17 -3.877 -8.852 14.504 1.00 24.81 N ATOM 241 HA GLN A 17 -8.389 -7.335 15.866 1.00 0.00 H ATOM 242 HB2 GLN A 17 -6.961 -9.363 15.670 1.00 0.00 H ATOM 243 HB3 GLN A 17 -6.502 -8.874 14.022 1.00 0.00 H ATOM 244 HG2 GLN A 17 -5.525 -6.766 14.943 1.00 0.00 H ATOM 245 HG3 GLN A 17 -5.936 -7.312 16.586 1.00 0.00 H ATOM 246 HE22 GLN A 17 -4.381 -8.651 13.617 1.00 0.00 H ATOM 247 HE21 GLN A 17 -2.996 -9.405 14.487 1.00 0.00 H ATOM 248 H GLN A 17 -9.012 -9.535 14.151 1.00 0.00 H ATOM 249 N VAL A 18 -7.834 -6.752 12.663 1.00 14.07 N ATOM 250 CA VAL A 18 -7.673 -5.679 11.688 1.00 11.24 C ATOM 251 C VAL A 18 -8.834 -4.710 11.735 1.00 14.93 C ATOM 252 O VAL A 18 -8.601 -3.492 11.700 1.00 12.53 O ATOM 253 CB VAL A 18 -7.489 -6.332 10.304 1.00 11.87 C ATOM 254 CG1 VAL A 18 -7.488 -5.317 9.193 1.00 13.65 C ATOM 255 CG2 VAL A 18 -6.202 -7.154 10.342 1.00 14.47 C ATOM 256 HA VAL A 18 -6.794 -5.077 11.918 1.00 0.00 H ATOM 257 HB VAL A 18 -8.334 -6.986 10.089 1.00 0.00 H ATOM 258 HG11 VAL A 18 -8.437 -4.781 9.192 1.00 0.00 H ATOM 259 HG12 VAL A 18 -6.671 -4.612 9.347 1.00 0.00 H ATOM 260 HG13 VAL A 18 -7.356 -5.826 8.238 1.00 0.00 H ATOM 261 HG21 VAL A 18 -5.360 -6.499 10.566 1.00 0.00 H ATOM 262 HG22 VAL A 18 -6.284 -7.919 11.114 1.00 0.00 H ATOM 263 HG23 VAL A 18 -6.047 -7.628 9.373 1.00 0.00 H ATOM 264 H VAL A 18 -7.941 -7.729 12.322 1.00 0.00 H ATOM 265 N ASN A 19 -10.062 -5.226 11.859 1.00 12.46 N ATOM 266 CA ASN A 19 -11.199 -4.283 11.939 1.00 12.02 C ATOM 267 C ASN A 19 -11.114 -3.473 13.228 1.00 12.51 C ATOM 268 O ASN A 19 -11.386 -2.267 13.241 1.00 13.13 O ATOM 269 CB ASN A 19 -12.531 -5.018 11.786 1.00 14.72 C ATOM 270 CG ASN A 19 -13.053 -5.014 10.366 1.00 15.62 C ATOM 271 OD1 ASN A 19 -13.649 -4.022 9.910 1.00 21.64 O ATOM 272 ND2 ASN A 19 -12.813 -6.140 9.691 1.00 20.03 N ATOM 273 HA ASN A 19 -11.143 -3.578 11.109 1.00 0.00 H ATOM 274 HB2 ASN A 19 -12.395 -6.052 12.103 1.00 0.00 H ATOM 275 HB3 ASN A 19 -13.269 -4.537 12.428 1.00 0.00 H ATOM 276 HD22 ASN A 19 -12.306 -6.923 10.150 1.00 0.00 H ATOM 277 HD21 ASN A 19 -13.133 -6.234 8.706 1.00 0.00 H ATOM 278 H ASN A 19 -10.212 -6.254 11.898 1.00 0.00 H ATOM 279 N ALA A 20 -10.697 -4.092 14.325 1.00 13.06 N ATOM 280 CA ALA A 20 -10.545 -3.345 15.589 1.00 13.35 C ATOM 281 C ALA A 20 -9.508 -2.249 15.453 1.00 13.33 C ATOM 282 O ALA A 20 -9.622 -1.123 15.936 1.00 17.14 O ATOM 283 CB ALA A 20 -10.189 -4.300 16.712 1.00 15.06 C ATOM 284 HA ALA A 20 -11.494 -2.866 15.828 1.00 0.00 H ATOM 285 HB1 ALA A 20 -10.982 -5.040 16.823 1.00 0.00 H ATOM 286 HB2 ALA A 20 -9.252 -4.803 16.476 1.00 0.00 H ATOM 287 HB3 ALA A 20 -10.079 -3.741 17.641 1.00 0.00 H ATOM 288 H ALA A 20 -10.476 -5.108 14.294 1.00 0.00 H ATOM 289 N ALA A 21 -8.426 -2.606 14.776 1.00 10.58 N ATOM 290 CA ALA A 21 -7.329 -1.664 14.547 1.00 10.91 C ATOM 291 C ALA A 21 -7.749 -0.516 13.645 1.00 11.03 C ATOM 292 O ALA A 21 -7.376 0.641 13.852 1.00 13.80 O ATOM 293 CB ALA A 21 -6.152 -2.376 13.920 1.00 15.56 C ATOM 294 HA ALA A 21 -7.047 -1.255 15.517 1.00 0.00 H ATOM 295 HB1 ALA A 21 -5.810 -3.167 14.587 1.00 0.00 H ATOM 296 HB2 ALA A 21 -6.456 -2.809 12.967 1.00 0.00 H ATOM 297 HB3 ALA A 21 -5.344 -1.664 13.755 1.00 0.00 H ATOM 298 H ALA A 21 -8.355 -3.573 14.400 1.00 0.00 H ATOM 299 N LEU A 22 -8.510 -0.826 12.587 1.00 10.99 N ATOM 300 CA LEU A 22 -8.983 0.201 11.679 1.00 11.51 C ATOM 301 C LEU A 22 -9.910 1.164 12.395 1.00 12.76 C ATOM 302 O LEU A 22 -9.836 2.380 12.196 1.00 15.19 O ATOM 303 CB LEU A 22 -9.727 -0.464 10.508 1.00 12.50 C ATOM 304 CG LEU A 22 -8.843 -1.085 9.425 1.00 11.24 C ATOM 305 CD1 LEU A 22 -9.690 -1.932 8.492 1.00 16.39 C ATOM 306 CD2 LEU A 22 -8.095 0.000 8.674 1.00 16.82 C ATOM 307 HA LEU A 22 -8.128 0.763 11.304 1.00 0.00 H ATOM 308 HB2 LEU A 22 -10.359 -1.252 10.917 1.00 0.00 H ATOM 309 HB3 LEU A 22 -10.353 0.293 10.036 1.00 0.00 H ATOM 310 HG LEU A 22 -8.101 -1.735 9.889 1.00 0.00 H ATOM 311 HD21 LEU A 22 -8.811 0.676 8.207 1.00 0.00 H ATOM 312 HD22 LEU A 22 -7.469 0.557 9.371 1.00 0.00 H ATOM 313 HD23 LEU A 22 -7.470 -0.456 7.906 1.00 0.00 H ATOM 314 HD11 LEU A 22 -10.173 -2.725 9.062 1.00 0.00 H ATOM 315 HD12 LEU A 22 -10.449 -1.306 8.023 1.00 0.00 H ATOM 316 HD13 LEU A 22 -9.054 -2.371 7.724 1.00 0.00 H ATOM 317 H LEU A 22 -8.766 -1.819 12.414 1.00 0.00 H ATOM 318 N LYS A 23 -10.798 0.618 13.211 1.00 11.36 N ATOM 319 CA LYS A 23 -11.736 1.480 13.925 1.00 13.62 C ATOM 320 C LYS A 23 -10.987 2.444 14.832 1.00 14.04 C ATOM 321 O LYS A 23 -11.252 3.637 14.927 1.00 14.66 O ATOM 322 CB LYS A 23 -12.741 0.640 14.733 1.00 15.48 C ATOM 323 CG LYS A 23 -13.780 1.540 15.371 1.00 20.63 C ATOM 324 CD LYS A 23 -14.898 0.776 16.040 1.00 24.50 C ATOM 325 CE LYS A 23 -15.904 1.699 16.699 1.00 25.78 C ATOM 326 NZ LYS A 23 -16.722 2.461 15.711 1.00 37.27 N ATOM 327 HA LYS A 23 -12.294 2.062 13.192 1.00 0.00 H ATOM 328 HB2 LYS A 23 -13.236 -0.068 14.068 1.00 0.00 H ATOM 329 HB3 LYS A 23 -12.210 0.094 15.512 1.00 0.00 H ATOM 330 HG2 LYS A 23 -13.288 2.161 16.119 1.00 0.00 H ATOM 331 HG3 LYS A 23 -14.209 2.177 14.597 1.00 0.00 H ATOM 332 HD2 LYS A 23 -15.411 0.174 15.290 1.00 0.00 H ATOM 333 HD3 LYS A 23 -14.471 0.121 16.799 1.00 0.00 H ATOM 334 HE2 LYS A 23 -15.366 2.409 17.328 1.00 0.00 H ATOM 335 HE3 LYS A 23 -16.573 1.101 17.318 1.00 0.00 H ATOM 336 HZ1 LYS A 23 -16.095 3.043 15.119 1.00 0.00 H ATOM 337 HZ2 LYS A 23 -17.247 1.794 15.110 1.00 0.00 H ATOM 338 HZ3 LYS A 23 -17.392 3.075 16.217 1.00 0.00 H ATOM 339 H LYS A 23 -10.827 -0.413 13.342 1.00 0.00 H ATOM 340 N ALA A 24 -9.981 1.892 15.503 1.00 15.68 N ATOM 341 CA ALA A 24 -9.118 2.660 16.403 1.00 14.46 C ATOM 342 C ALA A 24 -8.372 3.753 15.656 1.00 13.02 C ATOM 343 O ALA A 24 -8.290 4.896 16.107 1.00 14.79 O ATOM 344 CB ALA A 24 -8.153 1.741 17.149 1.00 13.71 C ATOM 345 HA ALA A 24 -9.756 3.146 17.141 1.00 0.00 H ATOM 346 HB1 ALA A 24 -8.721 1.021 17.737 1.00 0.00 H ATOM 347 HB2 ALA A 24 -7.528 1.212 16.430 1.00 0.00 H ATOM 348 HB3 ALA A 24 -7.524 2.337 17.810 1.00 0.00 H ATOM 349 H ALA A 24 -9.800 0.875 15.384 1.00 0.00 H ATOM 350 N LEU A 25 -7.839 3.422 14.478 1.00 13.05 N ATOM 351 CA LEU A 25 -7.176 4.465 13.705 1.00 12.44 C ATOM 352 C LEU A 25 -8.154 5.587 13.405 1.00 11.16 C ATOM 353 O LEU A 25 -7.755 6.763 13.488 1.00 15.58 O ATOM 354 CB LEU A 25 -6.615 3.913 12.398 1.00 15.75 C ATOM 355 CG LEU A 25 -5.463 2.935 12.442 1.00 13.08 C ATOM 356 CD1 LEU A 25 -5.181 2.400 11.042 1.00 14.19 C ATOM 357 CD2 LEU A 25 -4.202 3.574 12.969 1.00 14.93 C ATOM 358 HA LEU A 25 -6.347 4.849 14.299 1.00 0.00 H ATOM 359 HB2 LEU A 25 -7.437 3.414 11.885 1.00 0.00 H ATOM 360 HB3 LEU A 25 -6.285 4.767 11.807 1.00 0.00 H ATOM 361 HG LEU A 25 -5.754 2.127 13.113 1.00 0.00 H ATOM 362 HD21 LEU A 25 -3.920 4.405 12.323 1.00 0.00 H ATOM 363 HD22 LEU A 25 -4.377 3.941 13.980 1.00 0.00 H ATOM 364 HD23 LEU A 25 -3.401 2.835 12.983 1.00 0.00 H ATOM 365 HD11 LEU A 25 -6.068 1.894 10.662 1.00 0.00 H ATOM 366 HD12 LEU A 25 -4.924 3.229 10.383 1.00 0.00 H ATOM 367 HD13 LEU A 25 -4.350 1.696 11.084 1.00 0.00 H ATOM 368 H LEU A 25 -7.895 2.447 14.121 1.00 0.00 H ATOM 369 N GLY A 26 -9.400 5.236 13.084 1.00 14.85 N ATOM 370 CA GLY A 26 -10.413 6.252 12.769 1.00 20.22 C ATOM 371 C GLY A 26 -10.838 7.081 13.962 1.00 21.05 C ATOM 372 O GLY A 26 -11.480 8.126 13.816 1.00 24.98 O ATOM 373 HA3 GLY A 26 -11.293 5.748 12.369 1.00 0.00 H ATOM 374 HA2 GLY A 26 -10.005 6.922 12.012 1.00 0.00 H ATOM 375 H GLY A 26 -9.658 4.229 13.056 1.00 0.00 H ATOM 376 N ASP A 27 -10.481 6.616 15.163 1.00 20.55 N ATOM 377 CA ASP A 27 -10.833 7.344 16.372 1.00 21.44 C ATOM 378 C ASP A 27 -9.693 8.247 16.831 1.00 23.27 C ATOM 379 O ASP A 27 -9.794 8.985 17.809 1.00 24.59 O ATOM 380 CB ASP A 27 -11.206 6.365 17.486 1.00 23.15 C ATOM 381 CG ASP A 27 -12.458 5.540 17.366 1.00 27.15 C ATOM 382 OD1 ASP A 27 -13.453 5.941 16.738 1.00 29.91 O ATOM 383 OD2 ASP A 27 -12.519 4.408 17.910 1.00 35.61 O ATOM 384 HA ASP A 27 -11.692 7.976 16.144 1.00 0.00 H ATOM 385 HB2 ASP A 27 -10.375 5.666 17.584 1.00 0.00 H ATOM 386 HB3 ASP A 27 -11.298 6.949 18.402 1.00 0.00 H ATOM 387 H ASP A 27 -9.947 5.726 15.234 1.00 0.00 H ATOM 388 N ILE A 28 -8.566 8.213 16.123 1.00 18.64 N ATOM 389 CA ILE A 28 -7.446 9.086 16.501 1.00 19.77 C ATOM 390 C ILE A 28 -7.891 10.530 16.356 1.00 19.88 C ATOM 391 O ILE A 28 -8.514 10.881 15.346 1.00 22.55 O ATOM 392 CB ILE A 28 -6.225 8.739 15.649 1.00 19.98 C ATOM 393 CG1 ILE A 28 -5.686 7.326 15.937 1.00 20.96 C ATOM 394 CG2 ILE A 28 -5.088 9.734 15.764 1.00 25.37 C ATOM 395 CD1 ILE A 28 -4.620 6.914 14.923 1.00 18.44 C ATOM 396 HA ILE A 28 -7.153 8.937 17.540 1.00 0.00 H ATOM 397 HB ILE A 28 -6.601 8.782 14.627 1.00 0.00 H ATOM 398 HG12 ILE A 28 -5.250 7.310 16.936 1.00 0.00 H ATOM 399 HG13 ILE A 28 -6.512 6.616 15.891 1.00 0.00 H ATOM 400 HD11 ILE A 28 -5.051 6.921 13.922 1.00 0.00 H ATOM 401 HD12 ILE A 28 -3.788 7.616 14.967 1.00 0.00 H ATOM 402 HD13 ILE A 28 -4.264 5.911 15.159 1.00 0.00 H ATOM 403 HG21 ILE A 28 -5.434 10.717 15.445 1.00 0.00 H ATOM 404 HG22 ILE A 28 -4.754 9.783 16.800 1.00 0.00 H ATOM 405 HG23 ILE A 28 -4.262 9.414 15.129 1.00 0.00 H ATOM 406 H ILE A 28 -8.479 7.573 15.308 1.00 0.00 H ATOM 407 N PRO A 29 -7.603 11.378 17.344 1.00 26.02 N ATOM 408 CA PRO A 29 -8.068 12.772 17.243 1.00 24.77 C ATOM 409 C PRO A 29 -7.304 13.549 16.161 1.00 25.21 C ATOM 410 O PRO A 29 -6.236 13.138 15.698 1.00 21.65 O ATOM 411 CB PRO A 29 -7.805 13.324 18.639 1.00 28.94 C ATOM 412 CG PRO A 29 -6.637 12.513 19.126 1.00 28.54 C ATOM 413 CD PRO A 29 -6.874 11.117 18.583 1.00 26.77 C ATOM 414 HA PRO A 29 -9.113 12.855 16.946 1.00 0.00 H ATOM 415 HD3 PRO A 29 -5.932 10.606 18.386 1.00 0.00 H ATOM 416 HD2 PRO A 29 -7.471 10.522 19.274 1.00 0.00 H ATOM 417 HG3 PRO A 29 -6.607 12.500 20.216 1.00 0.00 H ATOM 418 HG2 PRO A 29 -5.701 12.920 18.742 1.00 0.00 H ATOM 419 HB2 PRO A 29 -7.553 14.384 18.598 1.00 0.00 H ATOM 420 HB3 PRO A 29 -8.673 13.183 19.283 1.00 0.00 H ATOM 421 N GLU A 30 -7.898 14.651 15.713 1.00 24.54 N ATOM 422 CA GLU A 30 -7.439 15.547 14.680 1.00 24.82 C ATOM 423 C GLU A 30 -7.092 14.746 13.420 1.00 23.68 C ATOM 424 O GLU A 30 -6.162 15.117 12.701 1.00 26.24 O ATOM 425 CB GLU A 30 -6.213 16.340 15.094 1.00 28.59 C ATOM 426 CG GLU A 30 -6.176 16.980 16.457 1.00 35.04 C ATOM 427 CD GLU A 30 -4.758 17.348 16.877 1.00 39.18 C ATOM 428 OE1 GLU A 30 -3.903 17.534 15.978 1.00 50.59 O ATOM 429 OE2 GLU A 30 -4.510 17.446 18.099 1.00 43.75 O ATOM 430 HA GLU A 30 -8.250 16.251 14.491 1.00 0.00 H ATOM 431 HB2 GLU A 30 -5.361 15.662 15.037 1.00 0.00 H ATOM 432 HB3 GLU A 30 -6.089 17.139 14.363 1.00 0.00 H ATOM 433 HG2 GLU A 30 -6.784 17.885 16.438 1.00 0.00 H ATOM 434 HG3 GLU A 30 -6.589 16.282 17.185 1.00 0.00 H ATOM 435 H GLU A 30 -8.803 14.897 16.162 1.00 0.00 H ATOM 436 N SER A 31 -7.822 13.663 13.196 1.00 22.37 N ATOM 437 CA SER A 31 -7.535 12.734 12.097 1.00 21.97 C ATOM 438 C SER A 31 -8.810 12.059 11.616 1.00 21.45 C ATOM 439 O SER A 31 -9.778 11.983 12.366 1.00 23.63 O ATOM 440 CB SER A 31 -6.529 11.685 12.569 1.00 23.62 C ATOM 441 OG SER A 31 -5.429 12.310 13.222 1.00 21.39 O ATOM 442 HA SER A 31 -7.112 13.294 11.263 1.00 0.00 H ATOM 443 HB2 SER A 31 -6.165 11.124 11.709 1.00 0.00 H ATOM 444 HB3 SER A 31 -7.020 11.004 13.264 1.00 0.00 H ATOM 445 HG SER A 31 -4.980 12.927 12.592 1.00 0.00 H ATOM 446 H SER A 31 -8.628 13.464 13.822 1.00 0.00 H ATOM 447 N HIS A 32 -8.764 11.554 10.381 1.00 21.86 N ATOM 448 CA HIS A 32 -9.848 10.702 9.909 1.00 20.86 C ATOM 449 C HIS A 32 -9.317 9.858 8.759 1.00 16.36 C ATOM 450 O HIS A 32 -8.383 10.217 8.039 1.00 20.13 O ATOM 451 CB HIS A 32 -11.064 11.502 9.519 1.00 23.90 C ATOM 452 CG HIS A 32 -10.974 12.490 8.421 1.00 27.23 C ATOM 453 ND1 HIS A 32 -11.399 12.188 7.149 1.00 32.10 N ATOM 454 CD2 HIS A 32 -10.537 13.773 8.375 1.00 29.96 C ATOM 455 CE1 HIS A 32 -11.221 13.248 6.364 1.00 36.11 C ATOM 456 NE2 HIS A 32 -10.690 14.226 7.090 1.00 34.30 N ATOM 457 HA HIS A 32 -10.181 10.048 10.714 1.00 0.00 H ATOM 458 HB2 HIS A 32 -11.836 10.786 9.237 1.00 0.00 H ATOM 459 HB3 HIS A 32 -11.382 12.046 10.408 1.00 0.00 H ATOM 460 HD2 HIS A 32 -10.135 14.344 9.212 1.00 0.00 H ATOM 461 HE1 HIS A 32 -11.469 13.304 5.304 1.00 0.00 H ATOM 462 H HIS A 32 -7.958 11.768 9.759 1.00 0.00 H ATOM 463 N ILE A 33 -9.932 8.706 8.595 1.00 17.58 N ATOM 464 CA ILE A 33 -9.571 7.844 7.473 1.00 16.41 C ATOM 465 C ILE A 33 -10.217 8.349 6.175 1.00 14.86 C ATOM 466 O ILE A 33 -11.406 8.717 6.166 1.00 15.86 O ATOM 467 CB ILE A 33 -9.960 6.391 7.737 1.00 16.96 C ATOM 468 CG1 ILE A 33 -9.136 5.735 8.845 1.00 18.25 C ATOM 469 CG2 ILE A 33 -9.889 5.526 6.496 1.00 18.26 C ATOM 470 CD1 ILE A 33 -9.906 4.667 9.578 1.00 24.64 C ATOM 471 HA ILE A 33 -8.487 7.882 7.360 1.00 0.00 H ATOM 472 HB ILE A 33 -10.997 6.451 8.067 1.00 0.00 H ATOM 473 HG12 ILE A 33 -8.248 5.285 8.401 1.00 0.00 H ATOM 474 HG13 ILE A 33 -8.835 6.502 9.559 1.00 0.00 H ATOM 475 HD11 ILE A 33 -10.793 5.108 10.033 1.00 0.00 H ATOM 476 HD12 ILE A 33 -10.205 3.890 8.875 1.00 0.00 H ATOM 477 HD13 ILE A 33 -9.275 4.234 10.354 1.00 0.00 H ATOM 478 HG21 ILE A 33 -10.569 5.920 5.741 1.00 0.00 H ATOM 479 HG22 ILE A 33 -8.870 5.532 6.108 1.00 0.00 H ATOM 480 HG23 ILE A 33 -10.177 4.506 6.749 1.00 0.00 H ATOM 481 H ILE A 33 -10.673 8.411 9.262 1.00 0.00 H ATOM 482 N LEU A 34 -9.380 8.358 5.145 1.00 12.36 N ATOM 483 CA LEU A 34 -9.753 8.756 3.807 1.00 13.25 C ATOM 484 C LEU A 34 -10.170 7.552 2.985 1.00 15.33 C ATOM 485 O LEU A 34 -11.216 7.574 2.370 1.00 14.95 O ATOM 486 CB LEU A 34 -8.569 9.466 3.160 1.00 17.14 C ATOM 487 CG LEU A 34 -8.167 10.798 3.805 1.00 23.26 C ATOM 488 CD1 LEU A 34 -6.768 11.156 3.340 1.00 26.92 C ATOM 489 CD2 LEU A 34 -9.213 11.849 3.479 1.00 21.19 C ATOM 490 HA LEU A 34 -10.606 9.434 3.852 1.00 0.00 H ATOM 491 HB2 LEU A 34 -7.710 8.797 3.206 1.00 0.00 H ATOM 492 HB3 LEU A 34 -8.822 9.660 2.118 1.00 0.00 H ATOM 493 HG LEU A 34 -8.134 10.729 4.892 1.00 0.00 H ATOM 494 HD21 LEU A 34 -9.279 11.971 2.398 1.00 0.00 H ATOM 495 HD22 LEU A 34 -10.180 11.531 3.869 1.00 0.00 H ATOM 496 HD23 LEU A 34 -8.929 12.797 3.937 1.00 0.00 H ATOM 497 HD11 LEU A 34 -6.074 10.372 3.642 1.00 0.00 H ATOM 498 HD12 LEU A 34 -6.761 11.251 2.254 1.00 0.00 H ATOM 499 HD13 LEU A 34 -6.468 12.102 3.791 1.00 0.00 H ATOM 500 H LEU A 34 -8.397 8.061 5.311 1.00 0.00 H ATOM 501 N THR A 35 -9.332 6.526 3.031 1.00 13.54 N ATOM 502 CA THR A 35 -9.609 5.335 2.224 1.00 14.41 C ATOM 503 C THR A 35 -8.802 4.188 2.823 1.00 12.90 C ATOM 504 O THR A 35 -7.751 4.424 3.440 1.00 11.69 O ATOM 505 CB THR A 35 -9.296 5.600 0.754 1.00 20.56 C ATOM 506 OG1 THR A 35 -9.859 4.578 -0.093 1.00 30.45 O ATOM 507 CG2 THR A 35 -7.805 5.532 0.473 1.00 21.47 C ATOM 508 HA THR A 35 -10.665 5.067 2.246 1.00 0.00 H ATOM 509 HB THR A 35 -9.708 6.589 0.551 1.00 0.00 H ATOM 510 HG1 THR A 35 -9.640 4.776 -1.038 1.00 0.00 H ATOM 511 HG23 THR A 35 -7.288 6.279 1.076 1.00 0.00 H ATOM 512 HG21 THR A 35 -7.434 4.539 0.726 1.00 0.00 H ATOM 513 HG22 THR A 35 -7.626 5.730 -0.584 1.00 0.00 H ATOM 514 H THR A 35 -8.486 6.566 3.634 1.00 0.00 H ATOM 515 N VAL A 36 -9.353 3.001 2.662 1.00 10.91 N ATOM 516 CA VAL A 36 -8.759 1.734 3.024 1.00 11.12 C ATOM 517 C VAL A 36 -8.657 0.820 1.806 1.00 11.15 C ATOM 518 O VAL A 36 -9.609 0.665 1.051 1.00 13.06 O ATOM 519 CB VAL A 36 -9.560 1.007 4.112 1.00 10.77 C ATOM 520 CG1 VAL A 36 -8.908 -0.292 4.565 1.00 12.76 C ATOM 521 CG2 VAL A 36 -9.734 1.938 5.309 1.00 10.73 C ATOM 522 HA VAL A 36 -7.766 1.959 3.413 1.00 0.00 H ATOM 523 HB VAL A 36 -10.526 0.741 3.682 1.00 0.00 H ATOM 524 HG11 VAL A 36 -8.817 -0.967 3.714 1.00 0.00 H ATOM 525 HG12 VAL A 36 -7.918 -0.079 4.969 1.00 0.00 H ATOM 526 HG13 VAL A 36 -9.524 -0.757 5.335 1.00 0.00 H ATOM 527 HG21 VAL A 36 -8.754 2.215 5.697 1.00 0.00 H ATOM 528 HG22 VAL A 36 -10.269 2.834 4.996 1.00 0.00 H ATOM 529 HG23 VAL A 36 -10.303 1.427 6.086 1.00 0.00 H ATOM 530 H VAL A 36 -10.301 2.974 2.236 1.00 0.00 H ATOM 531 N SER A 37 -7.497 0.201 1.639 1.00 12.38 N ATOM 532 CA SER A 37 -7.284 -0.720 0.536 1.00 13.98 C ATOM 533 C SER A 37 -8.041 -2.017 0.798 1.00 13.67 C ATOM 534 O SER A 37 -8.533 -2.317 1.870 1.00 12.58 O ATOM 535 CB SER A 37 -5.793 -1.015 0.365 1.00 16.30 C ATOM 536 OG SER A 37 -5.328 -1.945 1.338 1.00 15.03 O ATOM 537 HA SER A 37 -7.655 -0.262 -0.381 1.00 0.00 H ATOM 538 HB2 SER A 37 -5.234 -0.085 0.468 1.00 0.00 H ATOM 539 HB3 SER A 37 -5.626 -1.429 -0.629 1.00 0.00 H ATOM 540 HG SER A 37 -5.828 -2.795 1.246 1.00 0.00 H ATOM 541 H SER A 37 -6.724 0.378 2.311 1.00 0.00 H ATOM 542 N SER A 38 -8.071 -2.835 -0.256 1.00 13.32 N ATOM 543 CA SER A 38 -8.526 -4.178 0.043 1.00 13.27 C ATOM 544 C SER A 38 -7.559 -4.888 0.987 1.00 17.07 C ATOM 545 O SER A 38 -6.425 -4.440 1.164 1.00 14.51 O ATOM 546 CB SER A 38 -8.522 -5.009 -1.204 1.00 17.18 C ATOM 547 OG SER A 38 -9.398 -4.520 -2.253 1.00 21.18 O ATOM 548 HA SER A 38 -9.519 -4.081 0.482 1.00 0.00 H ATOM 549 HB2 SER A 38 -8.835 -6.020 -0.942 1.00 0.00 H ATOM 550 HB3 SER A 38 -7.504 -5.035 -1.594 1.00 0.00 H ATOM 551 HG SER A 38 -9.121 -3.606 -2.513 1.00 0.00 H ATOM 552 H SER A 38 -7.791 -2.534 -1.211 1.00 0.00 H ATOM 553 N PHE A 39 -8.010 -5.988 1.565 1.00 17.36 N ATOM 554 CA PHE A 39 -7.186 -6.869 2.361 1.00 14.96 C ATOM 555 C PHE A 39 -6.593 -7.966 1.469 1.00 14.94 C ATOM 556 O PHE A 39 -7.291 -8.611 0.716 1.00 17.05 O ATOM 557 CB PHE A 39 -7.985 -7.493 3.486 1.00 15.05 C ATOM 558 CG PHE A 39 -8.717 -6.577 4.435 1.00 13.64 C ATOM 559 CD1 PHE A 39 -8.378 -5.245 4.609 1.00 12.38 C ATOM 560 CD2 PHE A 39 -9.779 -7.060 5.186 1.00 18.02 C ATOM 561 CE1 PHE A 39 -9.060 -4.446 5.492 1.00 13.48 C ATOM 562 CE2 PHE A 39 -10.467 -6.274 6.104 1.00 14.77 C ATOM 563 CZ PHE A 39 -10.101 -4.951 6.262 1.00 14.91 C ATOM 564 HA PHE A 39 -6.381 -6.282 2.802 1.00 0.00 H ATOM 565 HB2 PHE A 39 -8.728 -8.147 3.030 1.00 0.00 H ATOM 566 HB3 PHE A 39 -7.294 -8.090 4.081 1.00 0.00 H ATOM 567 HD2 PHE A 39 -10.086 -8.097 5.051 1.00 0.00 H ATOM 568 HE2 PHE A 39 -11.283 -6.696 6.691 1.00 0.00 H ATOM 569 HZ PHE A 39 -10.620 -4.314 6.978 1.00 0.00 H ATOM 570 HE1 PHE A 39 -8.780 -3.397 5.591 1.00 0.00 H ATOM 571 HD1 PHE A 39 -7.554 -4.824 4.034 1.00 0.00 H ATOM 572 H PHE A 39 -9.013 -6.233 1.440 1.00 0.00 H ATOM 573 N TYR A 40 -5.307 -8.136 1.629 1.00 13.84 N ATOM 574 CA TYR A 40 -4.503 -9.043 0.821 1.00 15.03 C ATOM 575 C TYR A 40 -3.889 -10.152 1.673 1.00 18.95 C ATOM 576 O TYR A 40 -3.510 -9.970 2.840 1.00 19.21 O ATOM 577 CB TYR A 40 -3.390 -8.274 0.100 1.00 13.93 C ATOM 578 CG TYR A 40 -3.904 -7.224 -0.861 1.00 16.01 C ATOM 579 CD1 TYR A 40 -4.196 -5.928 -0.476 1.00 17.14 C ATOM 580 CD2 TYR A 40 -4.117 -7.569 -2.190 1.00 18.95 C ATOM 581 CE1 TYR A 40 -4.672 -5.000 -1.398 1.00 18.47 C ATOM 582 CE2 TYR A 40 -4.587 -6.646 -3.110 1.00 21.90 C ATOM 583 CZ TYR A 40 -4.869 -5.357 -2.711 1.00 19.40 C ATOM 584 OH TYR A 40 -5.341 -4.454 -3.648 1.00 20.32 O ATOM 585 HA TYR A 40 -5.164 -9.500 0.084 1.00 0.00 H ATOM 586 HB3 TYR A 40 -2.785 -8.987 -0.460 1.00 0.00 H ATOM 587 HB2 TYR A 40 -2.770 -7.782 0.849 1.00 0.00 H ATOM 588 HD2 TYR A 40 -3.910 -8.588 -2.516 1.00 0.00 H ATOM 589 HE2 TYR A 40 -4.734 -6.939 -4.150 1.00 0.00 H ATOM 590 HE1 TYR A 40 -4.890 -3.982 -1.076 1.00 0.00 H ATOM 591 HD1 TYR A 40 -4.052 -5.630 0.562 1.00 0.00 H ATOM 592 HH TYR A 40 -5.495 -3.579 -3.212 1.00 0.00 H ATOM 593 H TYR A 40 -4.830 -7.592 2.376 1.00 0.00 H ATOM 594 N ARG A 41 -3.773 -11.322 1.051 1.00 22.05 N ATOM 595 CA ARG A 41 -3.232 -12.499 1.729 1.00 19.89 C ATOM 596 C ARG A 41 -1.796 -12.643 1.268 1.00 19.37 C ATOM 597 O ARG A 41 -1.550 -12.856 0.076 1.00 29.53 O ATOM 598 CB ARG A 41 -4.023 -13.754 1.398 1.00 20.16 C ATOM 599 CG ARG A 41 -3.418 -15.056 1.880 1.00 20.62 C ATOM 600 CD ARG A 41 -4.319 -16.233 1.553 1.00 21.57 C ATOM 601 NE ARG A 41 -5.704 -15.910 1.916 1.00 23.60 N ATOM 602 CZ ARG A 41 -6.292 -16.197 3.075 1.00 19.78 C ATOM 603 NH1 ARG A 41 -5.631 -16.837 4.048 1.00 23.96 N ATOM 604 NH2 ARG A 41 -7.547 -15.860 3.304 1.00 20.13 N ATOM 605 HA ARG A 41 -3.295 -12.372 2.810 1.00 0.00 H ATOM 606 HB2 ARG A 41 -5.011 -13.656 1.848 1.00 0.00 H ATOM 607 HB3 ARG A 41 -4.123 -13.811 0.314 1.00 0.00 H ATOM 608 HG2 ARG A 41 -2.453 -15.201 1.395 1.00 0.00 H ATOM 609 HG3 ARG A 41 -3.277 -15.005 2.960 1.00 0.00 H ATOM 610 HD2 ARG A 41 -3.991 -17.108 2.115 1.00 0.00 H ATOM 611 HD3 ARG A 41 -4.264 -16.446 0.486 1.00 0.00 H ATOM 612 HE ARG A 41 -6.277 -15.413 1.204 1.00 0.00 H ATOM 613 HH12 ARG A 41 -6.108 -17.052 4.947 1.00 0.00 H ATOM 614 HH11 ARG A 41 -4.640 -17.119 3.905 1.00 0.00 H ATOM 615 HH22 ARG A 41 -7.990 -16.093 4.216 1.00 0.00 H ATOM 616 HH21 ARG A 41 -8.093 -15.362 2.573 1.00 0.00 H ATOM 617 H ARG A 41 -4.074 -11.401 0.059 1.00 0.00 H ATOM 618 N THR A 42 -0.860 -12.498 2.186 1.00 19.44 N ATOM 619 CA THR A 42 0.456 -12.580 1.679 1.00 23.05 C ATOM 620 C THR A 42 1.315 -13.601 2.452 1.00 26.26 C ATOM 621 O THR A 42 1.242 -13.713 3.676 1.00 27.28 O ATOM 622 CB THR A 42 1.222 -11.258 1.533 1.00 27.48 C ATOM 623 OG1 THR A 42 2.257 -11.254 2.500 1.00 38.90 O ATOM 624 CG2 THR A 42 0.391 -10.030 1.834 1.00 35.77 C ATOM 625 HA THR A 42 0.290 -12.923 0.658 1.00 0.00 H ATOM 626 HB THR A 42 1.559 -11.208 0.498 1.00 0.00 H ATOM 627 HG1 THR A 42 2.860 -12.023 2.339 1.00 0.00 H ATOM 628 HG23 THR A 42 -0.432 -9.967 1.123 1.00 0.00 H ATOM 629 HG21 THR A 42 -0.006 -10.101 2.846 1.00 0.00 H ATOM 630 HG22 THR A 42 1.015 -9.141 1.749 1.00 0.00 H ATOM 631 H THR A 42 -1.072 -12.338 3.192 1.00 0.00 H ATOM 632 N PRO A 43 2.178 -14.411 1.809 1.00 38.19 N ATOM 633 CA PRO A 43 3.076 -15.363 2.467 1.00 58.49 C ATOM 634 C PRO A 43 4.094 -14.659 3.369 1.00 70.11 C ATOM 635 O PRO A 43 4.543 -13.551 3.075 1.00 56.22 O ATOM 636 CB PRO A 43 3.797 -16.053 1.310 1.00 57.59 C ATOM 637 CG PRO A 43 2.945 -15.794 0.110 1.00 64.25 C ATOM 638 CD PRO A 43 2.293 -14.457 0.338 1.00 62.20 C ATOM 639 HA PRO A 43 2.529 -16.050 3.112 1.00 0.00 H ATOM 640 HD3 PRO A 43 2.916 -13.644 -0.035 1.00 0.00 H ATOM 641 HD2 PRO A 43 1.313 -14.409 -0.137 1.00 0.00 H ATOM 642 HG3 PRO A 43 2.188 -16.572 0.009 1.00 0.00 H ATOM 643 HG2 PRO A 43 3.559 -15.767 -0.791 1.00 0.00 H ATOM 644 HB2 PRO A 43 4.792 -15.630 1.172 1.00 0.00 H ATOM 645 HB3 PRO A 43 3.882 -17.124 1.496 1.00 0.00 H ATOM 646 N PRO A 44 4.443 -15.335 4.457 1.00 84.04 N ATOM 647 CA PRO A 44 5.228 -14.798 5.566 1.00 93.05 C ATOM 648 C PRO A 44 6.695 -14.808 5.274 1.00100.94 C ATOM 649 O PRO A 44 7.269 -13.726 4.937 1.00121.99 O ATOM 650 CB PRO A 44 4.902 -15.744 6.725 1.00 95.46 C ATOM 651 CG PRO A 44 3.949 -16.748 6.187 1.00 93.21 C ATOM 652 CD PRO A 44 4.088 -16.753 4.694 1.00 88.50 C ATOM 653 HA PRO A 44 4.986 -13.756 5.773 1.00 0.00 H ATOM 654 HD3 PRO A 44 4.878 -17.428 4.364 1.00 0.00 H ATOM 655 HD2 PRO A 44 3.153 -17.023 4.202 1.00 0.00 H ATOM 656 HG3 PRO A 44 2.930 -16.479 6.465 1.00 0.00 H ATOM 657 HG2 PRO A 44 4.184 -17.735 6.586 1.00 0.00 H ATOM 658 HB2 PRO A 44 5.809 -16.235 7.078 1.00 0.00 H ATOM 659 HB3 PRO A 44 4.445 -15.192 7.546 1.00 0.00 H TER 660 PRO A 44 ATOM 661 N PRO A 51 2.085 -18.789 8.946 1.00 60.06 N ATOM 662 CA PRO A 51 0.829 -18.658 8.181 1.00 62.00 C ATOM 663 C PRO A 51 0.742 -17.291 7.518 1.00 36.64 C ATOM 664 O PRO A 51 1.586 -16.408 7.652 1.00 28.14 O ATOM 665 CB PRO A 51 -0.269 -18.820 9.226 1.00 71.05 C ATOM 666 CG PRO A 51 0.402 -18.909 10.552 1.00 68.11 C ATOM 667 CD PRO A 51 1.820 -18.451 10.354 1.00 62.52 C ATOM 668 HA PRO A 51 0.753 -19.392 7.379 1.00 0.00 H ATOM 669 HD3 PRO A 51 1.913 -17.378 10.524 1.00 0.00 H ATOM 670 HD2 PRO A 51 2.500 -18.983 11.019 1.00 0.00 H ATOM 671 HG3 PRO A 51 0.387 -19.938 10.912 1.00 0.00 H ATOM 672 HG2 PRO A 51 -0.103 -18.266 11.272 1.00 0.00 H ATOM 673 HB2 PRO A 51 -0.939 -17.960 9.202 1.00 0.00 H ATOM 674 HB3 PRO A 51 -0.839 -19.729 9.033 1.00 0.00 H ATOM 675 N ASP A 52 -0.311 -17.098 6.730 1.00 39.80 N ATOM 676 CA ASP A 52 -0.328 -15.878 5.917 1.00 29.88 C ATOM 677 C ASP A 52 -0.399 -14.629 6.790 1.00 27.94 C ATOM 678 O ASP A 52 -0.849 -14.621 7.934 1.00 24.20 O ATOM 679 CB ASP A 52 -1.484 -15.980 4.913 1.00 25.10 C ATOM 680 CG ASP A 52 -1.274 -17.088 3.891 1.00 34.09 C ATOM 681 OD1 ASP A 52 -0.121 -17.497 3.640 1.00 35.60 O ATOM 682 OD2 ASP A 52 -2.284 -17.542 3.321 1.00 36.24 O ATOM 683 HA ASP A 52 0.603 -15.784 5.359 1.00 0.00 H ATOM 684 HB2 ASP A 52 -2.406 -16.179 5.460 1.00 0.00 H ATOM 685 HB3 ASP A 52 -1.574 -15.030 4.386 1.00 0.00 H ATOM 686 H ASP A 52 -1.091 -17.785 6.692 1.00 0.00 H ATOM 687 N TYR A 53 0.057 -13.526 6.206 1.00 21.24 N ATOM 688 CA TYR A 53 -0.262 -12.213 6.702 1.00 18.22 C ATOM 689 C TYR A 53 -1.447 -11.662 5.894 1.00 19.63 C ATOM 690 O TYR A 53 -1.608 -11.926 4.690 1.00 21.42 O ATOM 691 CB TYR A 53 0.886 -11.221 6.569 1.00 20.78 C ATOM 692 CG TYR A 53 2.025 -11.376 7.542 1.00 22.65 C ATOM 693 CD1 TYR A 53 2.928 -12.416 7.415 1.00 28.22 C ATOM 694 CD2 TYR A 53 2.232 -10.493 8.588 1.00 25.08 C ATOM 695 CE1 TYR A 53 3.979 -12.576 8.290 1.00 30.29 C ATOM 696 CE2 TYR A 53 3.274 -10.636 9.479 1.00 28.32 C ATOM 697 CZ TYR A 53 4.147 -11.687 9.323 1.00 33.50 C ATOM 698 OH TYR A 53 5.200 -11.846 10.196 1.00 45.30 O ATOM 699 HA TYR A 53 -0.488 -12.321 7.763 1.00 0.00 H ATOM 700 HB3 TYR A 53 0.475 -10.220 6.697 1.00 0.00 H ATOM 701 HB2 TYR A 53 1.294 -11.319 5.563 1.00 0.00 H ATOM 702 HD2 TYR A 53 1.546 -9.655 8.711 1.00 0.00 H ATOM 703 HE2 TYR A 53 3.404 -9.926 10.296 1.00 0.00 H ATOM 704 HE1 TYR A 53 4.675 -13.405 8.163 1.00 0.00 H ATOM 705 HD1 TYR A 53 2.804 -13.129 6.600 1.00 0.00 H ATOM 706 HH TYR A 53 5.723 -12.646 9.939 1.00 0.00 H ATOM 707 H TYR A 53 0.663 -13.614 5.365 1.00 0.00 H ATOM 708 N LEU A 54 -2.240 -10.896 6.604 1.00 15.99 N ATOM 709 CA LEU A 54 -3.238 -10.002 6.070 1.00 15.64 C ATOM 710 C LEU A 54 -2.506 -8.661 6.009 1.00 15.38 C ATOM 711 O LEU A 54 -2.021 -8.299 7.066 1.00 17.03 O ATOM 712 CB LEU A 54 -4.502 -9.865 6.916 1.00 16.41 C ATOM 713 CG LEU A 54 -5.651 -9.103 6.259 1.00 13.41 C ATOM 714 CD1 LEU A 54 -6.990 -9.596 6.786 1.00 15.51 C ATOM 715 CD2 LEU A 54 -5.569 -7.591 6.462 1.00 19.69 C ATOM 716 HA LEU A 54 -3.608 -10.376 5.116 1.00 0.00 H ATOM 717 HB2 LEU A 54 -4.857 -10.867 7.156 1.00 0.00 H ATOM 718 HB3 LEU A 54 -4.236 -9.345 7.836 1.00 0.00 H ATOM 719 HG LEU A 54 -5.564 -9.299 5.190 1.00 0.00 H ATOM 720 HD21 LEU A 54 -5.594 -7.367 7.528 1.00 0.00 H ATOM 721 HD22 LEU A 54 -4.639 -7.218 6.032 1.00 0.00 H ATOM 722 HD23 LEU A 54 -6.416 -7.113 5.969 1.00 0.00 H ATOM 723 HD11 LEU A 54 -7.097 -10.658 6.565 1.00 0.00 H ATOM 724 HD12 LEU A 54 -7.034 -9.442 7.864 1.00 0.00 H ATOM 725 HD13 LEU A 54 -7.795 -9.040 6.305 1.00 0.00 H ATOM 726 H LEU A 54 -2.141 -10.937 7.638 1.00 0.00 H ATOM 727 N ASN A 55 -2.489 -8.025 4.859 1.00 14.82 N ATOM 728 CA ASN A 55 -1.920 -6.699 4.693 1.00 15.49 C ATOM 729 C ASN A 55 -2.943 -5.767 4.032 1.00 15.25 C ATOM 730 O ASN A 55 -3.712 -6.171 3.166 1.00 16.30 O ATOM 731 CB ASN A 55 -0.657 -6.711 3.838 1.00 18.82 C ATOM 732 CG ASN A 55 0.570 -7.230 4.545 1.00 17.84 C ATOM 733 OD1 ASN A 55 1.130 -8.249 4.155 1.00 20.39 O ATOM 734 ND2 ASN A 55 0.998 -6.550 5.605 1.00 28.22 N ATOM 735 HA ASN A 55 -1.658 -6.343 5.689 1.00 0.00 H ATOM 736 HB2 ASN A 55 -0.841 -7.340 2.967 1.00 0.00 H ATOM 737 HB3 ASN A 55 -0.456 -5.691 3.511 1.00 0.00 H ATOM 738 HD22 ASN A 55 0.498 -5.690 5.907 1.00 0.00 H ATOM 739 HD21 ASN A 55 1.833 -6.879 6.131 1.00 0.00 H ATOM 740 H ASN A 55 -2.903 -8.494 4.028 1.00 0.00 H ATOM 741 N ALA A 56 -2.890 -4.509 4.482 1.00 12.98 N ATOM 742 CA ALA A 56 -3.728 -3.445 3.980 1.00 12.40 C ATOM 743 C ALA A 56 -3.015 -2.114 4.125 1.00 13.62 C ATOM 744 O ALA A 56 -2.083 -1.943 4.909 1.00 17.51 O ATOM 745 CB ALA A 56 -5.050 -3.423 4.735 1.00 15.92 C ATOM 746 HA ALA A 56 -3.933 -3.620 2.924 1.00 0.00 H ATOM 747 HB1 ALA A 56 -5.560 -4.377 4.599 1.00 0.00 H ATOM 748 HB2 ALA A 56 -4.859 -3.260 5.796 1.00 0.00 H ATOM 749 HB3 ALA A 56 -5.674 -2.617 4.349 1.00 0.00 H ATOM 750 H ALA A 56 -2.208 -4.284 5.235 1.00 0.00 H ATOM 751 N ALA A 57 -3.464 -1.171 3.318 1.00 13.08 N ATOM 752 CA ALA A 57 -2.979 0.185 3.442 1.00 11.42 C ATOM 753 C ALA A 57 -4.137 1.111 3.767 1.00 11.26 C ATOM 754 O ALA A 57 -5.253 0.904 3.295 1.00 14.61 O ATOM 755 CB ALA A 57 -2.305 0.587 2.146 1.00 13.22 C ATOM 756 HA ALA A 57 -2.252 0.255 4.251 1.00 0.00 H ATOM 757 HB1 ALA A 57 -1.471 -0.086 1.948 1.00 0.00 H ATOM 758 HB2 ALA A 57 -3.025 0.526 1.330 1.00 0.00 H ATOM 759 HB3 ALA A 57 -1.936 1.609 2.232 1.00 0.00 H ATOM 760 H ALA A 57 -4.169 -1.404 2.590 1.00 0.00 H ATOM 761 N VAL A 58 -3.856 2.108 4.567 1.00 10.99 N ATOM 762 CA VAL A 58 -4.791 3.112 5.017 1.00 11.25 C ATOM 763 C VAL A 58 -4.271 4.511 4.703 1.00 11.71 C ATOM 764 O VAL A 58 -3.117 4.780 5.041 1.00 11.84 O ATOM 765 CB VAL A 58 -5.046 2.978 6.538 1.00 11.35 C ATOM 766 CG1 VAL A 58 -6.092 3.986 6.968 1.00 15.80 C ATOM 767 CG2 VAL A 58 -5.464 1.551 6.859 1.00 15.06 C ATOM 768 HA VAL A 58 -5.731 2.958 4.487 1.00 0.00 H ATOM 769 HB VAL A 58 -4.133 3.190 7.094 1.00 0.00 H ATOM 770 HG11 VAL A 58 -5.737 4.993 6.747 1.00 0.00 H ATOM 771 HG12 VAL A 58 -7.019 3.799 6.427 1.00 0.00 H ATOM 772 HG13 VAL A 58 -6.269 3.889 8.039 1.00 0.00 H ATOM 773 HG21 VAL A 58 -6.377 1.310 6.315 1.00 0.00 H ATOM 774 HG22 VAL A 58 -4.670 0.866 6.561 1.00 0.00 H ATOM 775 HG23 VAL A 58 -5.643 1.458 7.930 1.00 0.00 H ATOM 776 H VAL A 58 -2.876 2.183 4.907 1.00 0.00 H ATOM 777 N ALA A 59 -5.114 5.331 4.085 1.00 11.55 N ATOM 778 CA ALA A 59 -4.895 6.762 3.946 1.00 11.39 C ATOM 779 C ALA A 59 -5.611 7.458 5.114 1.00 12.10 C ATOM 780 O ALA A 59 -6.812 7.338 5.252 1.00 15.43 O ATOM 781 CB ALA A 59 -5.390 7.314 2.629 1.00 14.75 C ATOM 782 HA ALA A 59 -3.822 6.951 3.964 1.00 0.00 H ATOM 783 HB1 ALA A 59 -4.868 6.819 1.810 1.00 0.00 H ATOM 784 HB2 ALA A 59 -6.461 7.134 2.541 1.00 0.00 H ATOM 785 HB3 ALA A 59 -5.196 8.386 2.590 1.00 0.00 H ATOM 786 H ALA A 59 -5.981 4.926 3.677 1.00 0.00 H ATOM 787 N LEU A 60 -4.833 8.165 5.922 1.00 13.63 N ATOM 788 CA LEU A 60 -5.285 8.891 7.084 1.00 14.13 C ATOM 789 C LEU A 60 -4.962 10.367 6.928 1.00 13.51 C ATOM 790 O LEU A 60 -3.813 10.752 6.865 1.00 13.91 O ATOM 791 CB LEU A 60 -4.588 8.310 8.313 1.00 14.03 C ATOM 792 CG LEU A 60 -5.088 8.851 9.652 1.00 17.21 C ATOM 793 CD1 LEU A 60 -6.421 8.249 10.049 1.00 18.71 C ATOM 794 CD2 LEU A 60 -4.047 8.602 10.749 1.00 20.88 C ATOM 795 HA LEU A 60 -6.365 8.794 7.198 1.00 0.00 H ATOM 796 HB2 LEU A 60 -4.736 7.230 8.307 1.00 0.00 H ATOM 797 HB3 LEU A 60 -3.523 8.530 8.235 1.00 0.00 H ATOM 798 HG LEU A 60 -5.237 9.924 9.533 1.00 0.00 H ATOM 799 HD21 LEU A 60 -3.868 7.531 10.842 1.00 0.00 H ATOM 800 HD22 LEU A 60 -3.117 9.106 10.486 1.00 0.00 H ATOM 801 HD23 LEU A 60 -4.418 8.993 11.696 1.00 0.00 H ATOM 802 HD11 LEU A 60 -7.165 8.484 9.288 1.00 0.00 H ATOM 803 HD12 LEU A 60 -6.318 7.167 10.137 1.00 0.00 H ATOM 804 HD13 LEU A 60 -6.735 8.664 11.007 1.00 0.00 H ATOM 805 H LEU A 60 -3.817 8.199 5.701 1.00 0.00 H ATOM 806 N GLU A 61 -5.969 11.216 6.835 1.00 16.18 N ATOM 807 CA GLU A 61 -5.763 12.645 6.945 1.00 17.46 C ATOM 808 C GLU A 61 -5.513 12.971 8.420 1.00 17.80 C ATOM 809 O GLU A 61 -6.265 12.550 9.323 1.00 18.92 O ATOM 810 CB GLU A 61 -6.968 13.416 6.418 1.00 22.16 C ATOM 811 CG GLU A 61 -6.942 14.911 6.595 1.00 25.36 C ATOM 812 CD GLU A 61 -5.816 15.602 5.860 1.00 29.27 C ATOM 813 OE1 GLU A 61 -5.603 15.210 4.694 1.00 31.31 O ATOM 814 OE2 GLU A 61 -5.203 16.511 6.463 1.00 36.60 O ATOM 815 HA GLU A 61 -4.906 12.944 6.342 1.00 0.00 H ATOM 816 HB2 GLU A 61 -7.051 13.210 5.351 1.00 0.00 H ATOM 817 HB3 GLU A 61 -7.853 13.037 6.930 1.00 0.00 H ATOM 818 HG2 GLU A 61 -7.887 15.315 6.231 1.00 0.00 H ATOM 819 HG3 GLU A 61 -6.841 15.128 7.658 1.00 0.00 H ATOM 820 H GLU A 61 -6.930 10.851 6.679 1.00 0.00 H ATOM 821 N THR A 62 -4.467 13.737 8.687 1.00 18.67 N ATOM 822 CA THR A 62 -4.185 14.090 10.085 1.00 19.22 C ATOM 823 C THR A 62 -3.514 15.453 10.193 1.00 19.71 C ATOM 824 O THR A 62 -2.745 15.932 9.354 1.00 18.97 O ATOM 825 CB THR A 62 -3.377 12.974 10.777 1.00 18.37 C ATOM 826 OG1 THR A 62 -3.219 13.309 12.165 1.00 21.96 O ATOM 827 CG2 THR A 62 -1.995 12.800 10.179 1.00 21.65 C ATOM 828 HA THR A 62 -5.134 14.175 10.615 1.00 0.00 H ATOM 829 HB THR A 62 -3.927 12.043 10.641 1.00 0.00 H ATOM 830 HG1 THR A 62 -4.111 13.389 12.587 1.00 0.00 H ATOM 831 HG23 THR A 62 -2.087 12.545 9.123 1.00 0.00 H ATOM 832 HG21 THR A 62 -1.436 13.730 10.282 1.00 0.00 H ATOM 833 HG22 THR A 62 -1.472 12.000 10.703 1.00 0.00 H ATOM 834 H THR A 62 -3.855 14.083 7.920 1.00 0.00 H ATOM 835 N SER A 63 -3.850 16.121 11.293 1.00 19.89 N ATOM 836 CA SER A 63 -3.266 17.373 11.716 1.00 21.86 C ATOM 837 C SER A 63 -2.200 17.147 12.783 1.00 21.95 C ATOM 838 O SER A 63 -1.524 18.101 13.175 1.00 24.33 O ATOM 839 CB SER A 63 -4.343 18.326 12.276 1.00 21.54 C ATOM 840 OG SER A 63 -5.088 18.873 11.201 1.00 30.25 O ATOM 841 HA SER A 63 -2.806 17.826 10.838 1.00 0.00 H ATOM 842 HB2 SER A 63 -3.864 19.130 12.834 1.00 0.00 H ATOM 843 HB3 SER A 63 -5.010 17.774 12.938 1.00 0.00 H ATOM 844 HG SER A 63 -5.780 19.485 11.558 1.00 0.00 H ATOM 845 H SER A 63 -4.591 15.710 11.896 1.00 0.00 H ATOM 846 N LEU A 64 -2.058 15.903 13.239 1.00 18.21 N ATOM 847 CA LEU A 64 -1.028 15.579 14.212 1.00 19.02 C ATOM 848 C LEU A 64 0.386 15.666 13.628 1.00 18.56 C ATOM 849 O LEU A 64 0.578 15.467 12.428 1.00 21.24 O ATOM 850 CB LEU A 64 -1.178 14.145 14.713 1.00 18.20 C ATOM 851 CG LEU A 64 -2.476 13.815 15.438 1.00 18.55 C ATOM 852 CD1 LEU A 64 -2.518 12.347 15.847 1.00 24.80 C ATOM 853 CD2 LEU A 64 -2.653 14.716 16.649 1.00 18.60 C ATOM 854 HA LEU A 64 -1.156 16.309 15.011 1.00 0.00 H ATOM 855 HB2 LEU A 64 -1.101 13.482 13.851 1.00 0.00 H ATOM 856 HB3 LEU A 64 -0.354 13.945 15.398 1.00 0.00 H ATOM 857 HG LEU A 64 -3.303 13.994 14.750 1.00 0.00 H ATOM 858 HD21 LEU A 64 -1.817 14.571 17.334 1.00 0.00 H ATOM 859 HD22 LEU A 64 -2.682 15.756 16.325 1.00 0.00 H ATOM 860 HD23 LEU A 64 -3.586 14.465 17.154 1.00 0.00 H ATOM 861 HD11 LEU A 64 -2.446 11.721 14.958 1.00 0.00 H ATOM 862 HD12 LEU A 64 -1.682 12.133 16.513 1.00 0.00 H ATOM 863 HD13 LEU A 64 -3.456 12.141 16.362 1.00 0.00 H ATOM 864 H LEU A 64 -2.692 15.154 12.894 1.00 0.00 H ATOM 865 N ALA A 65 1.349 15.925 14.518 1.00 15.93 N ATOM 866 CA ALA A 65 2.748 15.747 14.148 1.00 15.87 C ATOM 867 C ALA A 65 3.054 14.265 13.955 1.00 15.74 C ATOM 868 O ALA A 65 2.368 13.434 14.557 1.00 14.89 O ATOM 869 CB ALA A 65 3.666 16.341 15.192 1.00 18.66 C ATOM 870 HA ALA A 65 2.922 16.271 13.208 1.00 0.00 H ATOM 871 HB1 ALA A 65 3.463 17.408 15.288 1.00 0.00 H ATOM 872 HB2 ALA A 65 3.492 15.849 16.149 1.00 0.00 H ATOM 873 HB3 ALA A 65 4.703 16.193 14.889 1.00 0.00 H ATOM 874 H ALA A 65 1.101 16.253 15.473 1.00 0.00 H ATOM 875 N PRO A 66 4.062 13.943 13.135 1.00 16.87 N ATOM 876 CA PRO A 66 4.375 12.544 12.888 1.00 16.21 C ATOM 877 C PRO A 66 4.582 11.720 14.154 1.00 14.84 C ATOM 878 O PRO A 66 4.072 10.607 14.260 1.00 15.38 O ATOM 879 CB PRO A 66 5.691 12.563 12.087 1.00 18.96 C ATOM 880 CG PRO A 66 5.928 13.961 11.696 1.00 21.53 C ATOM 881 CD PRO A 66 4.915 14.836 12.360 1.00 17.02 C ATOM 882 HA PRO A 66 3.538 12.076 12.369 1.00 0.00 H ATOM 883 HD3 PRO A 66 5.406 15.555 13.015 1.00 0.00 H ATOM 884 HD2 PRO A 66 4.327 15.369 11.613 1.00 0.00 H ATOM 885 HG3 PRO A 66 5.840 14.057 10.614 1.00 0.00 H ATOM 886 HG2 PRO A 66 6.929 14.262 12.006 1.00 0.00 H ATOM 887 HB2 PRO A 66 6.513 12.201 12.705 1.00 0.00 H ATOM 888 HB3 PRO A 66 5.601 11.935 11.201 1.00 0.00 H ATOM 889 N GLU A 67 5.370 12.212 15.099 1.00 14.69 N ATOM 890 CA GLU A 67 5.637 11.381 16.259 1.00 16.16 C ATOM 891 C GLU A 67 4.398 11.278 17.131 1.00 12.49 C ATOM 892 O GLU A 67 4.280 10.303 17.866 1.00 14.40 O ATOM 893 CB GLU A 67 6.832 11.985 17.002 1.00 18.41 C ATOM 894 CG GLU A 67 6.425 13.343 17.524 1.00 23.64 C ATOM 895 CD GLU A 67 6.905 14.550 16.758 1.00 27.88 C ATOM 896 OE1 GLU A 67 7.106 14.490 15.523 1.00 24.24 O ATOM 897 OE2 GLU A 67 7.052 15.564 17.481 1.00 34.47 O ATOM 898 HA GLU A 67 5.886 10.362 15.964 1.00 0.00 H ATOM 899 HB2 GLU A 67 7.115 11.339 17.833 1.00 0.00 H ATOM 900 HB3 GLU A 67 7.676 12.089 16.321 1.00 0.00 H ATOM 901 HG2 GLU A 67 5.336 13.376 17.538 1.00 0.00 H ATOM 902 HG3 GLU A 67 6.803 13.429 18.543 1.00 0.00 H ATOM 903 H GLU A 67 5.784 13.162 15.012 1.00 0.00 H ATOM 904 N GLU A 68 3.497 12.264 17.030 1.00 15.21 N ATOM 905 CA GLU A 68 2.234 12.160 17.756 1.00 15.50 C ATOM 906 C GLU A 68 1.379 11.044 17.127 1.00 13.68 C ATOM 907 O GLU A 68 0.705 10.265 17.806 1.00 14.93 O ATOM 908 CB GLU A 68 1.389 13.421 17.773 1.00 21.47 C ATOM 909 CG GLU A 68 1.778 14.706 18.446 1.00 30.21 C ATOM 910 CD GLU A 68 0.687 15.763 18.334 1.00 31.39 C ATOM 911 OE1 GLU A 68 0.709 16.525 17.341 1.00 30.29 O ATOM 912 OE2 GLU A 68 -0.203 15.844 19.221 1.00 43.67 O ATOM 913 HA GLU A 68 2.519 11.955 18.788 1.00 0.00 H ATOM 914 HB2 GLU A 68 1.227 13.678 16.726 1.00 0.00 H ATOM 915 HB3 GLU A 68 0.441 13.130 18.225 1.00 0.00 H ATOM 916 HG2 GLU A 68 1.969 14.507 19.501 1.00 0.00 H ATOM 917 HG3 GLU A 68 2.686 15.087 17.979 1.00 0.00 H ATOM 918 H GLU A 68 3.695 13.097 16.439 1.00 0.00 H ATOM 919 N LEU A 69 1.373 10.966 15.808 1.00 13.67 N ATOM 920 CA LEU A 69 0.665 9.860 15.137 1.00 11.09 C ATOM 921 C LEU A 69 1.296 8.537 15.551 1.00 11.60 C ATOM 922 O LEU A 69 0.596 7.550 15.833 1.00 11.91 O ATOM 923 CB LEU A 69 0.678 10.043 13.624 1.00 11.71 C ATOM 924 CG LEU A 69 0.076 8.905 12.802 1.00 12.24 C ATOM 925 CD1 LEU A 69 -1.389 8.662 13.134 1.00 14.61 C ATOM 926 CD2 LEU A 69 0.272 9.242 11.326 1.00 13.89 C ATOM 927 HA LEU A 69 -0.381 9.858 15.445 1.00 0.00 H ATOM 928 HB2 LEU A 69 0.121 10.951 13.394 1.00 0.00 H ATOM 929 HB3 LEU A 69 1.715 10.166 13.312 1.00 0.00 H ATOM 930 HG LEU A 69 0.585 7.973 13.046 1.00 0.00 H ATOM 931 HD21 LEU A 69 -0.232 10.181 11.099 1.00 0.00 H ATOM 932 HD22 LEU A 69 1.337 9.340 11.115 1.00 0.00 H ATOM 933 HD23 LEU A 69 -0.149 8.445 10.714 1.00 0.00 H ATOM 934 HD11 LEU A 69 -1.483 8.403 14.189 1.00 0.00 H ATOM 935 HD12 LEU A 69 -1.962 9.566 12.928 1.00 0.00 H ATOM 936 HD13 LEU A 69 -1.768 7.843 12.522 1.00 0.00 H ATOM 937 H LEU A 69 1.868 11.685 15.243 1.00 0.00 H ATOM 938 N LEU A 70 2.626 8.475 15.650 1.00 11.00 N ATOM 939 CA LEU A 70 3.340 7.272 16.032 1.00 10.84 C ATOM 940 C LEU A 70 2.910 6.829 17.421 1.00 10.96 C ATOM 941 O LEU A 70 2.724 5.645 17.702 1.00 11.89 O ATOM 942 CB LEU A 70 4.861 7.480 15.996 1.00 13.61 C ATOM 943 CG LEU A 70 5.694 6.237 16.309 1.00 13.40 C ATOM 944 CD1 LEU A 70 5.465 5.132 15.288 1.00 21.43 C ATOM 945 CD2 LEU A 70 7.183 6.566 16.353 1.00 12.72 C ATOM 946 HA LEU A 70 3.092 6.495 15.309 1.00 0.00 H ATOM 947 HB2 LEU A 70 5.131 7.825 14.998 1.00 0.00 H ATOM 948 HB3 LEU A 70 5.114 8.249 16.726 1.00 0.00 H ATOM 949 HG LEU A 70 5.369 5.887 17.289 1.00 0.00 H ATOM 950 HD21 LEU A 70 7.496 6.960 15.386 1.00 0.00 H ATOM 951 HD22 LEU A 70 7.366 7.312 17.127 1.00 0.00 H ATOM 952 HD23 LEU A 70 7.747 5.661 16.578 1.00 0.00 H ATOM 953 HD11 LEU A 70 4.412 4.849 15.291 1.00 0.00 H ATOM 954 HD12 LEU A 70 5.744 5.491 14.297 1.00 0.00 H ATOM 955 HD13 LEU A 70 6.076 4.267 15.547 1.00 0.00 H ATOM 956 H LEU A 70 3.177 9.332 15.443 1.00 0.00 H ATOM 957 N ASN A 71 2.760 7.792 18.322 1.00 13.01 N ATOM 958 CA ASN A 71 2.310 7.421 19.655 1.00 13.93 C ATOM 959 C ASN A 71 0.975 6.658 19.621 1.00 14.93 C ATOM 960 O ASN A 71 0.806 5.658 20.325 1.00 15.44 O ATOM 961 CB ASN A 71 2.173 8.640 20.536 1.00 12.54 C ATOM 962 CG ASN A 71 3.474 9.333 20.864 1.00 11.97 C ATOM 963 OD1 ASN A 71 4.546 8.737 20.841 1.00 17.16 O ATOM 964 ND2 ASN A 71 3.446 10.600 21.248 1.00 15.28 N ATOM 965 HA ASN A 71 3.070 6.759 20.070 1.00 0.00 H ATOM 966 HB2 ASN A 71 1.526 9.355 20.028 1.00 0.00 H ATOM 967 HB3 ASN A 71 1.707 8.332 21.472 1.00 0.00 H ATOM 968 HD22 ASN A 71 2.544 11.116 21.272 1.00 0.00 H ATOM 969 HD21 ASN A 71 4.326 11.079 21.526 1.00 0.00 H ATOM 970 H ASN A 71 2.959 8.784 18.082 1.00 0.00 H ATOM 971 N HIS A 72 0.064 7.157 18.792 1.00 13.38 N ATOM 972 CA HIS A 72 -1.274 6.564 18.650 1.00 12.76 C ATOM 973 C HIS A 72 -1.174 5.184 18.036 1.00 12.16 C ATOM 974 O HIS A 72 -1.796 4.241 18.532 1.00 13.04 O ATOM 975 CB HIS A 72 -2.104 7.543 17.835 1.00 14.14 C ATOM 976 CG HIS A 72 -2.682 8.694 18.592 1.00 19.12 C ATOM 977 ND1 HIS A 72 -3.657 8.568 19.525 1.00 20.06 N ATOM 978 CD2 HIS A 72 -2.445 10.015 18.591 1.00 20.01 C ATOM 979 CE1 HIS A 72 -4.045 9.683 20.077 1.00 20.39 C ATOM 980 NE2 HIS A 72 -3.293 10.595 19.504 1.00 20.58 N ATOM 981 HA HIS A 72 -1.763 6.410 19.612 1.00 0.00 H ATOM 982 HB2 HIS A 72 -1.468 7.946 17.047 1.00 0.00 H ATOM 983 HB3 HIS A 72 -2.929 6.990 17.386 1.00 0.00 H ATOM 984 HD2 HIS A 72 -1.711 10.535 17.976 1.00 0.00 H ATOM 985 HE1 HIS A 72 -4.814 9.825 20.837 1.00 0.00 H ATOM 986 H HIS A 72 0.305 7.995 18.225 1.00 0.00 H ATOM 987 N THR A 73 -0.377 5.052 16.971 1.00 12.71 N ATOM 988 CA THR A 73 -0.278 3.729 16.337 1.00 12.12 C ATOM 989 C THR A 73 0.368 2.712 17.272 1.00 13.11 C ATOM 990 O THR A 73 -0.046 1.560 17.326 1.00 13.42 O ATOM 991 CB THR A 73 0.448 3.753 14.985 1.00 11.13 C ATOM 992 OG1 THR A 73 1.782 4.276 15.092 1.00 13.61 O ATOM 993 CG2 THR A 73 -0.342 4.606 13.970 1.00 16.14 C ATOM 994 HA THR A 73 -1.304 3.422 16.135 1.00 0.00 H ATOM 995 HB THR A 73 0.513 2.720 14.644 1.00 0.00 H ATOM 996 HG1 THR A 73 2.308 3.712 15.713 1.00 0.00 H ATOM 997 HG23 THR A 73 -1.356 4.217 13.882 1.00 0.00 H ATOM 998 HG21 THR A 73 -0.377 5.639 14.315 1.00 0.00 H ATOM 999 HG22 THR A 73 0.151 4.562 12.999 1.00 0.00 H ATOM 1000 H THR A 73 0.159 5.863 16.601 1.00 0.00 H ATOM 1001 N GLN A 74 1.351 3.139 18.058 1.00 12.78 N ATOM 1002 CA GLN A 74 2.002 2.232 19.003 1.00 13.16 C ATOM 1003 C GLN A 74 1.065 1.824 20.137 1.00 14.32 C ATOM 1004 O GLN A 74 1.034 0.696 20.624 1.00 13.21 O ATOM 1005 CB GLN A 74 3.272 2.911 19.519 1.00 11.88 C ATOM 1006 CG GLN A 74 4.436 2.897 18.523 1.00 15.02 C ATOM 1007 CD GLN A 74 5.713 3.558 18.996 1.00 20.60 C ATOM 1008 OE1 GLN A 74 5.753 4.181 20.057 1.00 28.01 O ATOM 1009 NE2 GLN A 74 6.831 3.434 18.262 1.00 22.31 N ATOM 1010 HA GLN A 74 2.268 1.304 18.497 1.00 0.00 H ATOM 1011 HB2 GLN A 74 3.035 3.948 19.754 1.00 0.00 H ATOM 1012 HB3 GLN A 74 3.591 2.398 20.426 1.00 0.00 H ATOM 1013 HG2 GLN A 74 4.664 1.857 18.288 1.00 0.00 H ATOM 1014 HG3 GLN A 74 4.109 3.409 17.618 1.00 0.00 H ATOM 1015 HE22 GLN A 74 6.808 2.910 17.364 1.00 0.00 H ATOM 1016 HE21 GLN A 74 7.720 3.862 18.592 1.00 0.00 H ATOM 1017 H GLN A 74 1.661 4.130 18.000 1.00 0.00 H ATOM 1018 N ARG A 75 0.241 2.781 20.588 1.00 14.53 N ATOM 1019 CA ARG A 75 -0.806 2.512 21.552 1.00 12.58 C ATOM 1020 C ARG A 75 -1.793 1.476 21.024 1.00 12.71 C ATOM 1021 O ARG A 75 -2.187 0.536 21.710 1.00 13.25 O ATOM 1022 CB ARG A 75 -1.591 3.776 21.939 1.00 10.99 C ATOM 1023 CG ARG A 75 -2.863 3.492 22.731 1.00 14.92 C ATOM 1024 CD ARG A 75 -3.601 4.787 23.051 1.00 16.65 C ATOM 1025 NE ARG A 75 -4.002 5.506 21.832 1.00 16.46 N ATOM 1026 CZ ARG A 75 -5.077 5.148 21.102 1.00 16.87 C ATOM 1027 NH1 ARG A 75 -5.803 4.096 21.506 1.00 20.86 N ATOM 1028 NH2 ARG A 75 -5.551 5.691 19.998 1.00 22.20 N ATOM 1029 HA ARG A 75 -0.299 2.129 22.438 1.00 0.00 H ATOM 1030 HB2 ARG A 75 -0.944 4.411 22.544 1.00 0.00 H ATOM 1031 HB3 ARG A 75 -1.865 4.304 21.026 1.00 0.00 H ATOM 1032 HG2 ARG A 75 -3.514 2.845 22.143 1.00 0.00 H ATOM 1033 HG3 ARG A 75 -2.600 2.990 23.662 1.00 0.00 H ATOM 1034 HD2 ARG A 75 -2.947 5.429 23.640 1.00 0.00 H ATOM 1035 HD3 ARG A 75 -4.493 4.550 23.630 1.00 0.00 H ATOM 1036 HE ARG A 75 -3.435 6.321 21.522 1.00 0.00 H ATOM 1037 HH12 ARG A 75 -6.637 3.799 20.960 1.00 0.00 H ATOM 1038 HH11 ARG A 75 -5.532 3.576 22.365 1.00 0.00 H ATOM 1039 HH22 ARG A 75 -6.400 5.295 19.547 1.00 0.00 H ATOM 1040 HH21 ARG A 75 -5.075 6.515 19.578 1.00 0.00 H ATOM 1041 H ARG A 75 0.358 3.751 20.233 1.00 0.00 H ATOM 1042 N ILE A 76 -2.214 1.645 19.769 1.00 12.45 N ATOM 1043 CA ILE A 76 -3.192 0.700 19.234 1.00 12.71 C ATOM 1044 C ILE A 76 -2.570 -0.675 19.119 1.00 14.36 C ATOM 1045 O ILE A 76 -3.199 -1.702 19.400 1.00 15.70 O ATOM 1046 CB ILE A 76 -3.753 1.224 17.902 1.00 13.55 C ATOM 1047 CG1 ILE A 76 -4.570 2.513 18.045 1.00 14.19 C ATOM 1048 CG2 ILE A 76 -4.561 0.155 17.195 1.00 14.75 C ATOM 1049 CD1 ILE A 76 -4.826 3.207 16.720 1.00 18.39 C ATOM 1050 HA ILE A 76 -4.038 0.607 19.915 1.00 0.00 H ATOM 1051 HB ILE A 76 -2.886 1.478 17.292 1.00 0.00 H ATOM 1052 HG12 ILE A 76 -5.530 2.267 18.499 1.00 0.00 H ATOM 1053 HG13 ILE A 76 -4.027 3.198 18.696 1.00 0.00 H ATOM 1054 HD11 ILE A 76 -3.874 3.469 16.259 1.00 0.00 H ATOM 1055 HD12 ILE A 76 -5.378 2.537 16.061 1.00 0.00 H ATOM 1056 HD13 ILE A 76 -5.409 4.112 16.892 1.00 0.00 H ATOM 1057 HG21 ILE A 76 -3.924 -0.706 16.992 1.00 0.00 H ATOM 1058 HG22 ILE A 76 -5.393 -0.149 17.830 1.00 0.00 H ATOM 1059 HG23 ILE A 76 -4.945 0.553 16.256 1.00 0.00 H ATOM 1060 H ILE A 76 -1.855 2.429 19.187 1.00 0.00 H ATOM 1061 N GLU A 77 -1.307 -0.754 18.714 1.00 13.89 N ATOM 1062 CA GLU A 77 -0.649 -2.050 18.698 1.00 12.50 C ATOM 1063 C GLU A 77 -0.696 -2.750 20.057 1.00 15.65 C ATOM 1064 O GLU A 77 -0.919 -3.960 20.123 1.00 16.28 O ATOM 1065 CB GLU A 77 0.814 -1.910 18.260 1.00 16.41 C ATOM 1066 CG GLU A 77 1.043 -1.487 16.830 1.00 17.73 C ATOM 1067 CD GLU A 77 2.475 -1.290 16.407 1.00 18.07 C ATOM 1068 OE1 GLU A 77 3.335 -0.946 17.274 1.00 27.17 O ATOM 1069 OE2 GLU A 77 2.850 -1.536 15.250 1.00 13.98 O ATOM 1070 HA GLU A 77 -1.198 -2.662 17.982 1.00 0.00 H ATOM 1071 HB2 GLU A 77 1.286 -1.169 18.906 1.00 0.00 H ATOM 1072 HB3 GLU A 77 1.298 -2.876 18.403 1.00 0.00 H ATOM 1073 HG2 GLU A 77 0.609 -2.251 16.185 1.00 0.00 H ATOM 1074 HG3 GLU A 77 0.519 -0.544 16.676 1.00 0.00 H ATOM 1075 H GLU A 77 -0.796 0.100 18.412 1.00 0.00 H ATOM 1076 N LEU A 78 -0.495 -2.003 21.131 1.00 15.51 N ATOM 1077 CA LEU A 78 -0.511 -2.619 22.452 1.00 15.74 C ATOM 1078 C LEU A 78 -1.925 -2.985 22.889 1.00 18.09 C ATOM 1079 O LEU A 78 -2.168 -4.034 23.491 1.00 22.74 O ATOM 1080 CB LEU A 78 0.100 -1.682 23.481 1.00 16.02 C ATOM 1081 CG LEU A 78 1.608 -1.565 23.501 1.00 20.18 C ATOM 1082 CD1 LEU A 78 2.006 -0.525 24.542 1.00 24.53 C ATOM 1083 CD2 LEU A 78 2.248 -2.909 23.808 1.00 22.49 C ATOM 1084 HA LEU A 78 0.078 -3.534 22.386 1.00 0.00 H ATOM 1085 HB2 LEU A 78 -0.304 -0.686 23.299 1.00 0.00 H ATOM 1086 HB3 LEU A 78 -0.215 -2.026 24.466 1.00 0.00 H ATOM 1087 HG LEU A 78 1.962 -1.250 22.519 1.00 0.00 H ATOM 1088 HD21 LEU A 78 1.908 -3.257 24.783 1.00 0.00 H ATOM 1089 HD22 LEU A 78 1.960 -3.630 23.043 1.00 0.00 H ATOM 1090 HD23 LEU A 78 3.332 -2.800 23.817 1.00 0.00 H ATOM 1091 HD11 LEU A 78 1.564 0.436 24.281 1.00 0.00 H ATOM 1092 HD12 LEU A 78 1.646 -0.838 25.522 1.00 0.00 H ATOM 1093 HD13 LEU A 78 3.092 -0.433 24.565 1.00 0.00 H ATOM 1094 H LEU A 78 -0.326 -0.981 21.033 1.00 0.00 H ATOM 1095 N GLN A 79 -2.867 -2.094 22.601 1.00 16.33 N ATOM 1096 CA GLN A 79 -4.234 -2.332 23.052 1.00 18.54 C ATOM 1097 C GLN A 79 -4.913 -3.415 22.228 1.00 21.09 C ATOM 1098 O GLN A 79 -5.566 -4.274 22.832 1.00 26.05 O ATOM 1099 CB GLN A 79 -5.048 -1.028 23.039 1.00 20.85 C ATOM 1100 CG GLN A 79 -4.529 -0.025 24.062 1.00 18.68 C ATOM 1101 CD GLN A 79 -5.208 1.328 23.997 1.00 19.14 C ATOM 1102 OE1 GLN A 79 -5.679 1.755 22.946 1.00 20.67 O ATOM 1103 NE2 GLN A 79 -5.244 2.015 25.139 1.00 17.61 N ATOM 1104 HA GLN A 79 -4.187 -2.690 24.080 1.00 0.00 H ATOM 1105 HB2 GLN A 79 -4.986 -0.583 22.046 1.00 0.00 H ATOM 1106 HB3 GLN A 79 -6.088 -1.259 23.268 1.00 0.00 H ATOM 1107 HG2 GLN A 79 -4.684 -0.439 25.058 1.00 0.00 H ATOM 1108 HG3 GLN A 79 -3.462 0.118 23.892 1.00 0.00 H ATOM 1109 HE22 GLN A 79 -4.831 1.610 26.003 1.00 0.00 H ATOM 1110 HE21 GLN A 79 -5.685 2.956 25.166 1.00 0.00 H ATOM 1111 H GLN A 79 -2.633 -1.237 22.060 1.00 0.00 H ATOM 1112 N GLN A 80 -4.780 -3.384 20.904 1.00 25.66 N ATOM 1113 CA GLN A 80 -5.435 -4.311 19.980 1.00 25.16 C ATOM 1114 C GLN A 80 -4.529 -5.506 19.690 1.00 26.01 C ATOM 1115 O GLN A 80 -4.895 -6.526 19.095 1.00 29.37 O ATOM 1116 CB GLN A 80 -5.842 -3.632 18.669 1.00 29.75 C ATOM 1117 CG GLN A 80 -6.695 -2.382 18.728 1.00 32.26 C ATOM 1118 CD GLN A 80 -7.901 -2.494 19.634 1.00 33.52 C ATOM 1119 OE1 GLN A 80 -8.161 -1.640 20.479 1.00 27.64 O ATOM 1120 NE2 GLN A 80 -8.662 -3.566 19.465 1.00 38.28 N ATOM 1121 HA GLN A 80 -6.346 -4.657 20.468 1.00 0.00 H ATOM 1122 HB2 GLN A 80 -4.923 -3.368 18.146 1.00 0.00 H ATOM 1123 HB3 GLN A 80 -6.393 -4.369 18.084 1.00 0.00 H ATOM 1124 HG2 GLN A 80 -6.074 -1.561 19.086 1.00 0.00 H ATOM 1125 HG3 GLN A 80 -7.044 -2.159 17.720 1.00 0.00 H ATOM 1126 HE22 GLN A 80 -8.415 -4.270 18.741 1.00 0.00 H ATOM 1127 HE21 GLN A 80 -9.506 -3.703 20.056 1.00 0.00 H ATOM 1128 H GLN A 80 -4.167 -2.649 20.497 1.00 0.00 H ATOM 1129 N GLY A 81 -3.242 -5.363 20.107 1.00 29.87 N ATOM 1130 CA GLY A 81 -2.363 -6.522 19.973 1.00 35.00 C ATOM 1131 C GLY A 81 -2.934 -7.623 20.856 1.00 39.87 C ATOM 1132 O GLY A 81 -3.822 -7.376 21.673 1.00 39.69 O ATOM 1133 HA3 GLY A 81 -1.355 -6.266 20.299 1.00 0.00 H ATOM 1134 HA2 GLY A 81 -2.335 -6.852 18.935 1.00 0.00 H ATOM 1135 H GLY A 81 -2.898 -4.466 20.505 1.00 0.00 H ATOM 1136 N ARG A 82 -2.432 -8.828 20.693 1.00 45.32 N ATOM 1137 CA ARG A 82 -2.895 -10.005 21.452 1.00 51.51 C ATOM 1138 C ARG A 82 -2.079 -10.166 22.741 1.00 73.84 C ATOM 1139 O ARG A 82 -2.024 -11.261 23.328 1.00 77.98 O ATOM 1140 CB ARG A 82 -2.824 -11.256 20.580 1.00 56.76 C ATOM 1141 CG ARG A 82 -4.194 -11.614 19.995 1.00 61.60 C ATOM 1142 CD ARG A 82 -4.151 -12.766 18.995 1.00 62.33 C ATOM 1143 NE ARG A 82 -5.076 -13.854 19.339 1.00 68.07 N ATOM 1144 CZ ARG A 82 -4.900 -15.136 18.988 1.00 73.95 C ATOM 1145 NH1 ARG A 82 -3.831 -15.521 18.278 1.00 78.32 N ATOM 1146 NH2 ARG A 82 -5.752 -16.122 19.307 1.00 76.35 N ATOM 1147 HA ARG A 82 -3.936 -9.857 21.738 1.00 0.00 H ATOM 1148 HB2 ARG A 82 -2.125 -11.079 19.762 1.00 0.00 H ATOM 1149 HB3 ARG A 82 -2.469 -12.090 21.185 1.00 0.00 H ATOM 1150 HG2 ARG A 82 -4.856 -11.894 20.814 1.00 0.00 H ATOM 1151 HG3 ARG A 82 -4.594 -10.734 19.490 1.00 0.00 H ATOM 1152 HD2 ARG A 82 -3.137 -13.166 18.968 1.00 0.00 H ATOM 1153 HD3 ARG A 82 -4.416 -12.382 18.010 1.00 0.00 H ATOM 1154 HE ARG A 82 -5.924 -13.614 19.892 1.00 0.00 H ATOM 1155 HH12 ARG A 82 -3.713 -16.521 18.016 1.00 0.00 H ATOM 1156 HH11 ARG A 82 -3.119 -14.820 17.989 1.00 0.00 H ATOM 1157 HH22 ARG A 82 -5.556 -17.097 19.003 1.00 0.00 H ATOM 1158 HH21 ARG A 82 -6.608 -15.911 19.858 1.00 0.00 H ATOM 1159 H ARG A 82 -1.672 -8.957 19.995 1.00 0.00 H TER 1160 ARG A 82 ATOM 1161 N ARG A 92 6.190 -12.050 17.708 1.00 26.38 N ATOM 1162 CA ARG A 92 4.824 -12.279 17.129 1.00 21.00 C ATOM 1163 C ARG A 92 3.905 -11.066 17.499 1.00 21.85 C ATOM 1164 O ARG A 92 3.772 -10.696 18.674 1.00 24.64 O ATOM 1165 CB ARG A 92 4.197 -13.457 17.856 1.00 21.17 C ATOM 1166 CG ARG A 92 3.258 -14.257 16.967 1.00 16.19 C ATOM 1167 CD ARG A 92 2.297 -13.371 16.180 1.00 15.23 C ATOM 1168 NE ARG A 92 1.054 -14.063 15.844 1.00 13.93 N ATOM 1169 CZ ARG A 92 1.013 -15.296 15.331 1.00 15.87 C ATOM 1170 NH1 ARG A 92 2.141 -15.976 15.084 1.00 18.08 N ATOM 1171 NH2 ARG A 92 -0.119 -15.942 15.029 1.00 18.26 N ATOM 1172 HA ARG A 92 4.911 -12.428 16.053 1.00 0.00 H ATOM 1173 HB2 ARG A 92 4.992 -14.115 18.207 1.00 0.00 H ATOM 1174 HB3 ARG A 92 3.634 -13.081 18.711 1.00 0.00 H ATOM 1175 HG2 ARG A 92 3.854 -14.838 16.263 1.00 0.00 H ATOM 1176 HG3 ARG A 92 2.676 -14.934 17.593 1.00 0.00 H ATOM 1177 HD2 ARG A 92 2.785 -13.058 15.257 1.00 0.00 H ATOM 1178 HD3 ARG A 92 2.059 -12.493 16.780 1.00 0.00 H ATOM 1179 HE ARG A 92 0.154 -13.570 16.013 1.00 0.00 H ATOM 1180 HH12 ARG A 92 2.093 -16.935 14.684 1.00 0.00 H ATOM 1181 HH11 ARG A 92 3.064 -15.545 15.292 1.00 0.00 H ATOM 1182 HH22 ARG A 92 -0.080 -16.902 14.632 1.00 0.00 H ATOM 1183 HH21 ARG A 92 -1.038 -15.484 15.192 1.00 0.00 H ATOM 1184 HN3 ARG A 92 6.117 -11.966 18.742 1.00 0.00 H ATOM 1185 HN2 ARG A 92 6.589 -11.174 17.315 1.00 0.00 H ATOM 1186 HN1 ARG A 92 6.807 -12.852 17.466 1.00 0.00 H ATOM 1187 N THR A 93 3.250 -10.414 16.512 1.00 21.85 N ATOM 1188 CA THR A 93 2.351 -9.251 16.829 1.00 28.74 C ATOM 1189 C THR A 93 1.716 -8.560 15.602 1.00 22.16 C ATOM 1190 O THR A 93 2.072 -8.843 14.448 1.00 29.14 O ATOM 1191 CB THR A 93 3.130 -8.127 17.520 1.00 54.73 C ATOM 1192 OG1 THR A 93 4.447 -8.556 17.814 1.00 73.45 O ATOM 1193 CG2 THR A 93 2.485 -7.670 18.829 1.00 78.36 C ATOM 1194 HA THR A 93 1.576 -9.705 17.447 1.00 0.00 H ATOM 1195 HB THR A 93 3.130 -7.288 16.824 1.00 0.00 H ATOM 1196 HG1 THR A 93 4.410 -9.343 18.414 1.00 0.00 H ATOM 1197 HG23 THR A 93 1.467 -7.333 18.633 1.00 0.00 H ATOM 1198 HG21 THR A 93 2.464 -8.502 19.532 1.00 0.00 H ATOM 1199 HG22 THR A 93 3.065 -6.850 19.252 1.00 0.00 H ATOM 1200 H THR A 93 3.369 -10.720 15.525 1.00 0.00 H ATOM 1201 N LEU A 94 0.780 -7.664 15.950 1.00 28.50 N ATOM 1202 CA LEU A 94 0.069 -6.784 14.998 1.00 20.50 C ATOM 1203 C LEU A 94 1.011 -5.636 14.677 1.00 18.72 C ATOM 1204 O LEU A 94 1.758 -5.159 15.543 1.00 18.87 O ATOM 1205 CB LEU A 94 -1.226 -6.247 15.631 1.00 19.50 C ATOM 1206 CG LEU A 94 -1.754 -4.972 14.955 1.00 17.26 C ATOM 1207 CD1 LEU A 94 -2.596 -5.258 13.708 1.00 18.09 C ATOM 1208 CD2 LEU A 94 -2.653 -4.133 15.870 1.00 19.36 C ATOM 1209 HA LEU A 94 -0.208 -7.329 14.095 1.00 0.00 H ATOM 1210 HB2 LEU A 94 -1.992 -7.019 15.559 1.00 0.00 H ATOM 1211 HB3 LEU A 94 -1.032 -6.027 16.681 1.00 0.00 H ATOM 1212 HG LEU A 94 -0.842 -4.432 14.699 1.00 0.00 H ATOM 1213 HD21 LEU A 94 -3.515 -4.727 16.174 1.00 0.00 H ATOM 1214 HD22 LEU A 94 -2.089 -3.830 16.752 1.00 0.00 H ATOM 1215 HD23 LEU A 94 -2.992 -3.248 15.332 1.00 0.00 H ATOM 1216 HD11 LEU A 94 -1.990 -5.793 12.977 1.00 0.00 H ATOM 1217 HD12 LEU A 94 -3.457 -5.867 13.984 1.00 0.00 H ATOM 1218 HD13 LEU A 94 -2.938 -4.316 13.278 1.00 0.00 H ATOM 1219 H LEU A 94 0.538 -7.583 16.958 1.00 0.00 H ATOM 1220 N ASP A 95 0.985 -5.190 13.448 1.00 15.40 N ATOM 1221 CA ASP A 95 1.931 -4.164 13.032 1.00 12.44 C ATOM 1222 C ASP A 95 1.280 -3.005 12.255 1.00 10.63 C ATOM 1223 O ASP A 95 0.617 -3.212 11.232 1.00 16.79 O ATOM 1224 CB ASP A 95 2.985 -4.790 12.113 1.00 12.46 C ATOM 1225 CG ASP A 95 4.229 -3.920 11.930 1.00 14.28 C ATOM 1226 OD1 ASP A 95 4.709 -3.261 12.929 1.00 15.33 O ATOM 1227 OD2 ASP A 95 4.800 -3.847 10.774 1.00 14.81 O ATOM 1228 HA ASP A 95 2.361 -3.761 13.949 1.00 0.00 H ATOM 1229 HB2 ASP A 95 3.291 -5.745 12.539 1.00 0.00 H ATOM 1230 HB3 ASP A 95 2.534 -4.958 11.135 1.00 0.00 H ATOM 1231 H ASP A 95 0.292 -5.566 12.770 1.00 0.00 H ATOM 1232 N LEU A 96 1.515 -1.808 12.785 1.00 12.05 N ATOM 1233 CA LEU A 96 1.074 -0.539 12.172 1.00 10.67 C ATOM 1234 C LEU A 96 2.317 0.301 11.866 1.00 11.21 C ATOM 1235 O LEU A 96 2.920 0.903 12.770 1.00 11.90 O ATOM 1236 CB LEU A 96 0.172 0.253 13.123 1.00 10.78 C ATOM 1237 CG LEU A 96 -1.125 -0.469 13.489 1.00 14.42 C ATOM 1238 CD1 LEU A 96 -2.005 0.347 14.441 1.00 14.56 C ATOM 1239 CD2 LEU A 96 -2.005 -0.787 12.279 1.00 16.13 C ATOM 1240 HA LEU A 96 0.509 -0.762 11.267 1.00 0.00 H ATOM 1241 HB2 LEU A 96 0.727 0.449 14.040 1.00 0.00 H ATOM 1242 HB3 LEU A 96 -0.084 1.199 12.646 1.00 0.00 H ATOM 1243 HG LEU A 96 -0.777 -1.388 13.961 1.00 0.00 H ATOM 1244 HD21 LEU A 96 -2.277 0.141 11.775 1.00 0.00 H ATOM 1245 HD22 LEU A 96 -1.455 -1.429 11.590 1.00 0.00 H ATOM 1246 HD23 LEU A 96 -2.908 -1.299 12.612 1.00 0.00 H ATOM 1247 HD11 LEU A 96 -1.458 0.541 15.363 1.00 0.00 H ATOM 1248 HD12 LEU A 96 -2.270 1.293 13.968 1.00 0.00 H ATOM 1249 HD13 LEU A 96 -2.912 -0.214 14.666 1.00 0.00 H ATOM 1250 H LEU A 96 2.039 -1.763 13.682 1.00 0.00 H ATOM 1251 N ASP A 97 2.688 0.300 10.612 1.00 12.12 N ATOM 1252 CA ASP A 97 3.869 1.017 10.116 1.00 10.51 C ATOM 1253 C ASP A 97 3.515 2.261 9.326 1.00 11.71 C ATOM 1254 O ASP A 97 2.639 2.224 8.452 1.00 10.42 O ATOM 1255 CB ASP A 97 4.680 0.081 9.228 1.00 10.24 C ATOM 1256 CG ASP A 97 5.429 -0.985 10.001 1.00 11.53 C ATOM 1257 OD1 ASP A 97 5.327 -0.963 11.248 1.00 10.89 O ATOM 1258 OD2 ASP A 97 6.054 -1.811 9.290 1.00 12.74 O ATOM 1259 HA ASP A 97 4.443 1.337 10.986 1.00 0.00 H ATOM 1260 HB2 ASP A 97 4.000 -0.410 8.532 1.00 0.00 H ATOM 1261 HB3 ASP A 97 5.403 0.675 8.669 1.00 0.00 H ATOM 1262 H ASP A 97 2.116 -0.237 9.930 1.00 0.00 H ATOM 1263 N ILE A 98 4.200 3.355 9.657 1.00 11.24 N ATOM 1264 CA ILE A 98 3.963 4.593 8.923 1.00 8.73 C ATOM 1265 C ILE A 98 4.785 4.524 7.643 1.00 11.36 C ATOM 1266 O ILE A 98 6.002 4.559 7.620 1.00 12.36 O ATOM 1267 CB ILE A 98 4.247 5.854 9.765 1.00 11.06 C ATOM 1268 CG1 ILE A 98 3.313 5.889 10.980 1.00 14.96 C ATOM 1269 CG2 ILE A 98 4.181 7.101 8.916 1.00 13.58 C ATOM 1270 CD1 ILE A 98 3.754 6.912 12.010 1.00 14.69 C ATOM 1271 HA ILE A 98 2.906 4.684 8.674 1.00 0.00 H ATOM 1272 HB ILE A 98 5.266 5.816 10.149 1.00 0.00 H ATOM 1273 HG12 ILE A 98 2.307 6.140 10.643 1.00 0.00 H ATOM 1274 HG13 ILE A 98 3.304 4.903 11.445 1.00 0.00 H ATOM 1275 HD11 ILE A 98 4.757 6.665 12.359 1.00 0.00 H ATOM 1276 HD12 ILE A 98 3.759 7.903 11.557 1.00 0.00 H ATOM 1277 HD13 ILE A 98 3.062 6.900 12.852 1.00 0.00 H ATOM 1278 HG21 ILE A 98 4.924 7.037 8.121 1.00 0.00 H ATOM 1279 HG22 ILE A 98 3.186 7.189 8.479 1.00 0.00 H ATOM 1280 HG23 ILE A 98 4.385 7.973 9.537 1.00 0.00 H ATOM 1281 H ILE A 98 4.896 3.326 10.430 1.00 0.00 H ATOM 1282 N MET A 99 4.084 4.375 6.512 1.00 11.36 N ATOM 1283 CA MET A 99 4.840 4.272 5.263 1.00 9.91 C ATOM 1284 C MET A 99 5.268 5.631 4.751 1.00 11.92 C ATOM 1285 O MET A 99 6.444 5.815 4.393 1.00 12.09 O ATOM 1286 CB MET A 99 4.017 3.574 4.188 1.00 12.23 C ATOM 1287 CG MET A 99 3.831 2.081 4.413 1.00 14.01 C ATOM 1288 SD MET A 99 3.023 1.221 3.072 1.00 12.49 S ATOM 1289 CE MET A 99 1.318 1.758 3.286 1.00 12.81 C ATOM 1290 HA MET A 99 5.732 3.685 5.482 1.00 0.00 H ATOM 1291 HB2 MET A 99 3.032 4.040 4.155 1.00 0.00 H ATOM 1292 HB3 MET A 99 4.516 3.715 3.230 1.00 0.00 H ATOM 1293 HG2 MET A 99 3.233 1.945 5.314 1.00 0.00 H ATOM 1294 HG3 MET A 99 4.814 1.634 4.560 1.00 0.00 H ATOM 1295 HE1 MET A 99 0.964 1.455 4.271 1.00 0.00 H ATOM 1296 HE2 MET A 99 1.266 2.843 3.198 1.00 0.00 H ATOM 1297 HE3 MET A 99 0.695 1.300 2.518 1.00 0.00 H ATOM 1298 H MET A 99 3.045 4.334 6.521 1.00 0.00 H ATOM 1299 N LEU A 100 4.354 6.576 4.720 1.00 12.37 N ATOM 1300 CA LEU A 100 4.571 7.928 4.246 1.00 9.77 C ATOM 1301 C LEU A 100 3.857 8.925 5.137 1.00 12.13 C ATOM 1302 O LEU A 100 2.809 8.568 5.704 1.00 13.00 O ATOM 1303 CB LEU A 100 4.019 8.051 2.810 1.00 13.77 C ATOM 1304 CG LEU A 100 4.755 7.090 1.842 1.00 23.18 C ATOM 1305 CD1 LEU A 100 3.897 6.830 0.643 1.00 29.65 C ATOM 1306 CD2 LEU A 100 6.116 7.664 1.500 1.00 27.63 C ATOM 1307 HA LEU A 100 5.640 8.142 4.263 1.00 0.00 H ATOM 1308 HB2 LEU A 100 2.957 7.806 2.815 1.00 0.00 H ATOM 1309 HB3 LEU A 100 4.153 9.076 2.464 1.00 0.00 H ATOM 1310 HG LEU A 100 4.931 6.123 2.313 1.00 0.00 H ATOM 1311 HD21 LEU A 100 5.990 8.636 1.023 1.00 0.00 H ATOM 1312 HD22 LEU A 100 6.700 7.779 2.413 1.00 0.00 H ATOM 1313 HD23 LEU A 100 6.633 6.988 0.819 1.00 0.00 H ATOM 1314 HD11 LEU A 100 2.959 6.376 0.961 1.00 0.00 H ATOM 1315 HD12 LEU A 100 3.692 7.771 0.133 1.00 0.00 H ATOM 1316 HD13 LEU A 100 4.418 6.154 -0.035 1.00 0.00 H ATOM 1317 H LEU A 100 3.402 6.334 5.062 1.00 0.00 H ATOM 1318 N PHE A 101 4.441 10.102 5.308 1.00 13.18 N ATOM 1319 CA PHE A 101 3.794 11.206 5.980 1.00 10.98 C ATOM 1320 C PHE A 101 3.864 12.456 5.110 1.00 11.86 C ATOM 1321 O PHE A 101 4.894 13.108 5.075 1.00 13.58 O ATOM 1322 CB PHE A 101 4.438 11.421 7.348 1.00 13.36 C ATOM 1323 CG PHE A 101 3.645 12.300 8.275 1.00 14.02 C ATOM 1324 CD1 PHE A 101 3.754 13.682 8.227 1.00 16.63 C ATOM 1325 CD2 PHE A 101 2.792 11.739 9.194 1.00 12.45 C ATOM 1326 CE1 PHE A 101 3.013 14.473 9.104 1.00 17.20 C ATOM 1327 CE2 PHE A 101 2.054 12.509 10.062 1.00 15.82 C ATOM 1328 CZ PHE A 101 2.163 13.884 10.017 1.00 16.95 C ATOM 1329 HA PHE A 101 2.740 10.979 6.141 1.00 0.00 H ATOM 1330 HB2 PHE A 101 4.563 10.448 7.823 1.00 0.00 H ATOM 1331 HB3 PHE A 101 5.416 11.878 7.197 1.00 0.00 H ATOM 1332 HD2 PHE A 101 2.698 10.654 9.236 1.00 0.00 H ATOM 1333 HE2 PHE A 101 1.386 12.036 10.782 1.00 0.00 H ATOM 1334 HZ PHE A 101 1.580 14.502 10.700 1.00 0.00 H ATOM 1335 HE1 PHE A 101 3.105 15.558 9.068 1.00 0.00 H ATOM 1336 HD1 PHE A 101 4.420 14.150 7.502 1.00 0.00 H ATOM 1337 H PHE A 101 5.406 10.237 4.943 1.00 0.00 H ATOM 1338 N GLY A 102 2.785 12.743 4.386 1.00 14.78 N ATOM 1339 CA GLY A 102 2.869 13.774 3.346 1.00 14.72 C ATOM 1340 C GLY A 102 4.025 13.405 2.430 1.00 17.06 C ATOM 1341 O GLY A 102 4.189 12.247 2.072 1.00 19.98 O ATOM 1342 HA3 GLY A 102 3.050 14.748 3.801 1.00 0.00 H ATOM 1343 HA2 GLY A 102 1.939 13.807 2.778 1.00 0.00 H ATOM 1344 H GLY A 102 1.890 12.241 4.556 1.00 0.00 H ATOM 1345 N ASN A 103 4.820 14.420 2.099 1.00 16.95 N ATOM 1346 CA ASN A 103 6.034 14.235 1.323 1.00 15.76 C ATOM 1347 C ASN A 103 7.251 14.393 2.224 1.00 16.03 C ATOM 1348 O ASN A 103 8.333 14.640 1.692 1.00 16.57 O ATOM 1349 CB ASN A 103 6.076 15.250 0.198 1.00 13.99 C ATOM 1350 CG ASN A 103 7.112 14.951 -0.876 1.00 13.40 C ATOM 1351 OD1 ASN A 103 7.183 13.856 -1.449 1.00 22.07 O ATOM 1352 ND2 ASN A 103 7.900 15.970 -1.196 1.00 21.74 N ATOM 1353 HA ASN A 103 6.044 13.232 0.896 1.00 0.00 H ATOM 1354 HB2 ASN A 103 5.094 15.279 -0.273 1.00 0.00 H ATOM 1355 HB3 ASN A 103 6.300 16.227 0.627 1.00 0.00 H ATOM 1356 HD22 ASN A 103 7.810 16.875 -0.692 1.00 0.00 H ATOM 1357 HD21 ASN A 103 8.607 15.863 -1.951 1.00 0.00 H ATOM 1358 H ASN A 103 4.563 15.380 2.407 1.00 0.00 H ATOM 1359 N GLU A 104 7.063 14.274 3.546 1.00 15.19 N ATOM 1360 CA GLU A 104 8.155 14.506 4.477 1.00 17.35 C ATOM 1361 C GLU A 104 9.130 13.336 4.555 1.00 17.50 C ATOM 1362 O GLU A 104 8.860 12.147 4.425 1.00 17.34 O ATOM 1363 CB GLU A 104 7.618 14.805 5.890 1.00 17.95 C ATOM 1364 CG GLU A 104 6.839 16.107 5.915 1.00 28.08 C ATOM 1365 CD GLU A 104 6.215 16.331 7.285 1.00 34.62 C ATOM 1366 OE1 GLU A 104 6.968 16.135 8.264 1.00 32.17 O ATOM 1367 OE2 GLU A 104 5.016 16.679 7.297 1.00 48.49 O ATOM 1368 HA GLU A 104 8.697 15.369 4.091 1.00 0.00 H ATOM 1369 HB2 GLU A 104 6.962 13.992 6.201 1.00 0.00 H ATOM 1370 HB3 GLU A 104 8.457 14.879 6.582 1.00 0.00 H ATOM 1371 HG2 GLU A 104 7.513 16.933 5.689 1.00 0.00 H ATOM 1372 HG3 GLU A 104 6.050 16.067 5.164 1.00 0.00 H ATOM 1373 H GLU A 104 6.124 14.013 3.910 1.00 0.00 H ATOM 1374 N VAL A 105 10.364 13.746 4.790 1.00 14.51 N ATOM 1375 CA VAL A 105 11.459 12.857 5.091 1.00 13.89 C ATOM 1376 C VAL A 105 11.718 12.969 6.579 1.00 12.88 C ATOM 1377 O VAL A 105 11.950 14.059 7.082 1.00 15.88 O ATOM 1378 CB VAL A 105 12.702 13.277 4.292 1.00 21.10 C ATOM 1379 CG1 VAL A 105 13.913 12.480 4.735 1.00 29.26 C ATOM 1380 CG2 VAL A 105 12.385 13.066 2.823 1.00 24.90 C ATOM 1381 HA VAL A 105 11.223 11.828 4.820 1.00 0.00 H ATOM 1382 HB VAL A 105 12.947 14.325 4.466 1.00 0.00 H ATOM 1383 HG11 VAL A 105 14.096 12.658 5.795 1.00 0.00 H ATOM 1384 HG12 VAL A 105 13.728 11.419 4.570 1.00 0.00 H ATOM 1385 HG13 VAL A 105 14.783 12.792 4.157 1.00 0.00 H ATOM 1386 HG21 VAL A 105 12.155 12.015 2.650 1.00 0.00 H ATOM 1387 HG22 VAL A 105 11.526 13.678 2.546 1.00 0.00 H ATOM 1388 HG23 VAL A 105 13.247 13.354 2.222 1.00 0.00 H ATOM 1389 H VAL A 105 10.556 14.767 4.756 1.00 0.00 H ATOM 1390 N ILE A 106 11.604 11.842 7.282 1.00 13.66 N ATOM 1391 CA ILE A 106 11.861 11.861 8.714 1.00 14.06 C ATOM 1392 C ILE A 106 12.955 10.840 8.978 1.00 14.25 C ATOM 1393 O ILE A 106 12.846 9.695 8.562 1.00 13.83 O ATOM 1394 CB ILE A 106 10.567 11.580 9.504 1.00 13.25 C ATOM 1395 CG1 ILE A 106 9.421 12.550 9.138 1.00 15.22 C ATOM 1396 CG2 ILE A 106 10.782 11.584 11.018 1.00 18.16 C ATOM 1397 CD1 ILE A 106 8.079 12.180 9.743 1.00 20.52 C ATOM 1398 HA ILE A 106 12.196 12.842 9.051 1.00 0.00 H ATOM 1399 HB ILE A 106 10.272 10.574 9.206 1.00 0.00 H ATOM 1400 HG12 ILE A 106 9.691 13.547 9.487 1.00 0.00 H ATOM 1401 HG13 ILE A 106 9.316 12.562 8.053 1.00 0.00 H ATOM 1402 HD11 ILE A 106 7.786 11.190 9.395 1.00 0.00 H ATOM 1403 HD12 ILE A 106 8.161 12.175 10.830 1.00 0.00 H ATOM 1404 HD13 ILE A 106 7.330 12.911 9.437 1.00 0.00 H ATOM 1405 HG21 ILE A 106 11.507 10.815 11.283 1.00 0.00 H ATOM 1406 HG22 ILE A 106 11.156 12.560 11.328 1.00 0.00 H ATOM 1407 HG23 ILE A 106 9.835 11.380 11.519 1.00 0.00 H ATOM 1408 H ILE A 106 11.333 10.956 6.810 1.00 0.00 H ATOM 1409 N ASN A 107 13.986 11.285 9.673 1.00 15.37 N ATOM 1410 CA ASN A 107 15.102 10.482 10.109 1.00 17.63 C ATOM 1411 C ASN A 107 15.483 10.787 11.558 1.00 18.10 C ATOM 1412 O ASN A 107 16.484 11.449 11.815 1.00 25.88 O ATOM 1413 CB ASN A 107 16.329 10.708 9.231 1.00 22.17 C ATOM 1414 CG ASN A 107 16.028 10.240 7.820 1.00 26.04 C ATOM 1415 OD1 ASN A 107 15.817 9.037 7.648 1.00 25.84 O ATOM 1416 ND2 ASN A 107 16.006 11.228 6.938 1.00 34.51 N ATOM 1417 HA ASN A 107 14.781 9.443 10.029 1.00 0.00 H ATOM 1418 HB2 ASN A 107 16.577 11.769 9.218 1.00 0.00 H ATOM 1419 HB3 ASN A 107 17.172 10.144 9.630 1.00 0.00 H ATOM 1420 HD22 ASN A 107 16.208 12.202 7.243 1.00 0.00 H ATOM 1421 HD21 ASN A 107 15.786 11.030 5.941 1.00 0.00 H ATOM 1422 H ASN A 107 13.994 12.294 9.926 1.00 0.00 H ATOM 1423 N THR A 108 14.644 10.263 12.452 1.00 15.66 N ATOM 1424 CA THR A 108 14.946 10.432 13.877 1.00 16.38 C ATOM 1425 C THR A 108 15.204 9.081 14.532 1.00 17.06 C ATOM 1426 O THR A 108 15.069 8.045 13.893 1.00 17.93 O ATOM 1427 CB THR A 108 13.836 11.187 14.622 1.00 17.49 C ATOM 1428 OG1 THR A 108 12.595 10.490 14.615 1.00 18.87 O ATOM 1429 CG2 THR A 108 13.562 12.510 13.908 1.00 18.85 C ATOM 1430 HA THR A 108 15.849 11.039 13.944 1.00 0.00 H ATOM 1431 HB THR A 108 14.187 11.311 15.646 1.00 0.00 H ATOM 1432 HG1 THR A 108 11.918 11.019 15.107 1.00 0.00 H ATOM 1433 HG23 THR A 108 14.478 13.101 13.876 1.00 0.00 H ATOM 1434 HG21 THR A 108 13.222 12.309 12.892 1.00 0.00 H ATOM 1435 HG22 THR A 108 12.792 13.060 14.448 1.00 0.00 H ATOM 1436 H THR A 108 13.795 9.746 12.146 1.00 0.00 H ATOM 1437 N GLU A 109 15.572 9.146 15.812 1.00 18.37 N ATOM 1438 CA GLU A 109 15.670 7.923 16.575 1.00 15.97 C ATOM 1439 C GLU A 109 14.360 7.136 16.556 1.00 14.29 C ATOM 1440 O GLU A 109 14.464 5.902 16.448 1.00 18.17 O ATOM 1441 CB GLU A 109 16.090 8.197 18.027 1.00 21.57 C ATOM 1442 CG GLU A 109 17.483 8.790 18.158 1.00 22.47 C ATOM 1443 CD GLU A 109 17.450 10.297 18.018 1.00 25.37 C ATOM 1444 OE1 GLU A 109 16.363 10.833 17.692 1.00 28.83 O ATOM 1445 OE2 GLU A 109 18.502 10.942 18.215 1.00 34.96 O ATOM 1446 HA GLU A 109 16.441 7.320 16.096 1.00 0.00 H ATOM 1447 HB2 GLU A 109 15.376 8.894 18.466 1.00 0.00 H ATOM 1448 HB3 GLU A 109 16.063 7.256 18.577 1.00 0.00 H ATOM 1449 HG2 GLU A 109 17.889 8.532 19.136 1.00 0.00 H ATOM 1450 HG3 GLU A 109 18.122 8.374 17.379 1.00 0.00 H ATOM 1451 H GLU A 109 15.785 10.063 16.254 1.00 0.00 H ATOM 1452 N ARG A 110 13.170 7.720 16.686 1.00 13.58 N ATOM 1453 CA ARG A 110 11.926 6.973 16.736 1.00 12.46 C ATOM 1454 C ARG A 110 11.328 6.631 15.381 1.00 13.38 C ATOM 1455 O ARG A 110 10.567 5.683 15.292 1.00 14.78 O ATOM 1456 CB ARG A 110 10.826 7.760 17.476 1.00 17.03 C ATOM 1457 CG ARG A 110 11.179 8.046 18.933 1.00 17.62 C ATOM 1458 CD ARG A 110 10.009 8.637 19.698 1.00 16.53 C ATOM 1459 NE ARG A 110 8.851 7.747 19.671 1.00 13.72 N ATOM 1460 CZ ARG A 110 7.596 8.073 19.920 1.00 11.98 C ATOM 1461 NH1 ARG A 110 7.200 9.296 20.244 1.00 18.94 N ATOM 1462 NH2 ARG A 110 6.646 7.153 19.857 1.00 16.61 N ATOM 1463 HA ARG A 110 12.213 6.055 17.248 1.00 0.00 H ATOM 1464 HB2 ARG A 110 10.671 8.709 16.962 1.00 0.00 H ATOM 1465 HB3 ARG A 110 9.904 7.179 17.449 1.00 0.00 H ATOM 1466 HG2 ARG A 110 11.478 7.114 19.412 1.00 0.00 H ATOM 1467 HG3 ARG A 110 12.010 8.751 18.962 1.00 0.00 H ATOM 1468 HD2 ARG A 110 9.735 9.590 19.246 1.00 0.00 H ATOM 1469 HD3 ARG A 110 10.308 8.800 20.734 1.00 0.00 H ATOM 1470 HE ARG A 110 9.034 6.752 19.430 1.00 0.00 H ATOM 1471 HH12 ARG A 110 6.194 9.485 20.428 1.00 0.00 H ATOM 1472 HH11 ARG A 110 7.895 10.066 20.314 1.00 0.00 H ATOM 1473 HH22 ARG A 110 5.658 7.411 20.053 1.00 0.00 H ATOM 1474 HH21 ARG A 110 6.888 6.172 19.611 1.00 0.00 H ATOM 1475 H ARG A 110 13.130 8.757 16.755 1.00 0.00 H ATOM 1476 N LEU A 111 11.635 7.351 14.338 1.00 14.08 N ATOM 1477 CA LEU A 111 10.876 7.377 13.107 1.00 12.37 C ATOM 1478 C LEU A 111 11.766 7.501 11.880 1.00 16.76 C ATOM 1479 O LEU A 111 12.564 8.428 11.774 1.00 17.89 O ATOM 1480 CB LEU A 111 9.911 8.546 13.223 1.00 16.74 C ATOM 1481 CG LEU A 111 8.660 8.569 12.396 1.00 21.35 C ATOM 1482 CD1 LEU A 111 7.933 7.231 12.410 1.00 17.98 C ATOM 1483 CD2 LEU A 111 7.744 9.689 12.899 1.00 15.74 C ATOM 1484 HA LEU A 111 10.340 6.438 12.971 1.00 0.00 H ATOM 1485 HB2 LEU A 111 9.600 8.596 14.267 1.00 0.00 H ATOM 1486 HB3 LEU A 111 10.473 9.445 12.970 1.00 0.00 H ATOM 1487 HG LEU A 111 8.941 8.759 11.360 1.00 0.00 H ATOM 1488 HD21 LEU A 111 7.490 9.507 13.943 1.00 0.00 H ATOM 1489 HD22 LEU A 111 8.259 10.645 12.810 1.00 0.00 H ATOM 1490 HD23 LEU A 111 6.834 9.709 12.300 1.00 0.00 H ATOM 1491 HD11 LEU A 111 8.589 6.458 12.009 1.00 0.00 H ATOM 1492 HD12 LEU A 111 7.657 6.980 13.434 1.00 0.00 H ATOM 1493 HD13 LEU A 111 7.035 7.301 11.797 1.00 0.00 H ATOM 1494 H LEU A 111 12.485 7.948 14.395 1.00 0.00 H ATOM 1495 N THR A 112 11.615 6.549 10.968 1.00 14.54 N ATOM 1496 CA THR A 112 12.222 6.558 9.632 1.00 13.77 C ATOM 1497 C THR A 112 11.065 6.565 8.630 1.00 9.62 C ATOM 1498 O THR A 112 10.377 5.547 8.588 1.00 12.84 O ATOM 1499 CB THR A 112 13.176 5.377 9.434 1.00 16.80 C ATOM 1500 OG1 THR A 112 14.342 5.619 10.242 1.00 19.20 O ATOM 1501 CG2 THR A 112 13.611 5.245 7.986 1.00 18.90 C ATOM 1502 HA THR A 112 12.846 7.440 9.488 1.00 0.00 H ATOM 1503 HB THR A 112 12.665 4.457 9.718 1.00 0.00 H ATOM 1504 HG1 THR A 112 14.772 6.463 9.954 1.00 0.00 H ATOM 1505 HG23 THR A 112 12.737 5.061 7.361 1.00 0.00 H ATOM 1506 HG21 THR A 112 14.099 6.167 7.669 1.00 0.00 H ATOM 1507 HG22 THR A 112 14.308 4.413 7.892 1.00 0.00 H ATOM 1508 H THR A 112 11.021 5.734 11.219 1.00 0.00 H ATOM 1509 N VAL A 113 10.912 7.688 7.943 1.00 11.42 N ATOM 1510 CA VAL A 113 9.812 7.898 6.984 1.00 11.66 C ATOM 1511 C VAL A 113 10.385 8.496 5.708 1.00 12.24 C ATOM 1512 O VAL A 113 11.061 9.530 5.780 1.00 12.79 O ATOM 1513 CB VAL A 113 8.652 8.724 7.526 1.00 14.26 C ATOM 1514 CG1 VAL A 113 7.579 8.940 6.472 1.00 15.63 C ATOM 1515 CG2 VAL A 113 8.084 8.040 8.783 1.00 13.62 C ATOM 1516 HA VAL A 113 9.368 6.924 6.778 1.00 0.00 H ATOM 1517 HB VAL A 113 9.020 9.713 7.799 1.00 0.00 H ATOM 1518 HG11 VAL A 113 8.009 9.467 5.620 1.00 0.00 H ATOM 1519 HG12 VAL A 113 7.192 7.975 6.146 1.00 0.00 H ATOM 1520 HG13 VAL A 113 6.769 9.533 6.896 1.00 0.00 H ATOM 1521 HG21 VAL A 113 7.732 7.041 8.524 1.00 0.00 H ATOM 1522 HG22 VAL A 113 8.865 7.966 9.540 1.00 0.00 H ATOM 1523 HG23 VAL A 113 7.254 8.630 9.172 1.00 0.00 H ATOM 1524 H VAL A 113 11.599 8.456 8.087 1.00 0.00 H ATOM 1525 N PRO A 114 10.151 7.921 4.535 1.00 11.05 N ATOM 1526 CA PRO A 114 9.416 6.694 4.251 1.00 10.98 C ATOM 1527 C PRO A 114 9.955 5.425 4.904 1.00 8.95 C ATOM 1528 O PRO A 114 11.116 5.417 5.267 1.00 13.62 O ATOM 1529 CB PRO A 114 9.570 6.557 2.730 1.00 13.49 C ATOM 1530 CG PRO A 114 9.742 7.962 2.258 1.00 10.90 C ATOM 1531 CD PRO A 114 10.630 8.587 3.290 1.00 10.40 C ATOM 1532 HA PRO A 114 8.402 6.778 4.641 1.00 0.00 H ATOM 1533 HD3 PRO A 114 11.680 8.367 3.099 1.00 0.00 H ATOM 1534 HD2 PRO A 114 10.489 9.667 3.336 1.00 0.00 H ATOM 1535 HG3 PRO A 114 8.782 8.475 2.211 1.00 0.00 H ATOM 1536 HG2 PRO A 114 10.213 7.986 1.276 1.00 0.00 H ATOM 1537 HB2 PRO A 114 10.444 5.954 2.481 1.00 0.00 H ATOM 1538 HB3 PRO A 114 8.681 6.106 2.289 1.00 0.00 H ATOM 1539 N HIS A 115 9.069 4.492 5.102 1.00 11.91 N ATOM 1540 CA HIS A 115 9.430 3.235 5.775 1.00 12.21 C ATOM 1541 C HIS A 115 10.671 2.687 5.069 1.00 13.83 C ATOM 1542 O HIS A 115 10.684 2.693 3.835 1.00 12.70 O ATOM 1543 CB HIS A 115 8.255 2.295 5.766 1.00 14.52 C ATOM 1544 CG HIS A 115 8.509 0.972 6.401 1.00 14.84 C ATOM 1545 ND1 HIS A 115 9.148 -0.020 5.707 1.00 12.27 N ATOM 1546 CD2 HIS A 115 8.186 0.409 7.571 1.00 14.13 C ATOM 1547 CE1 HIS A 115 9.264 -1.124 6.421 1.00 13.60 C ATOM 1548 NE2 HIS A 115 8.670 -0.874 7.566 1.00 12.86 N ATOM 1549 HA HIS A 115 9.674 3.381 6.827 1.00 0.00 H ATOM 1550 HB2 HIS A 115 7.433 2.774 6.297 1.00 0.00 H ATOM 1551 HB3 HIS A 115 7.965 2.124 4.729 1.00 0.00 H ATOM 1552 HD2 HIS A 115 7.636 0.885 8.383 1.00 0.00 H ATOM 1553 HE1 HIS A 115 9.752 -2.052 6.122 1.00 0.00 H ATOM 1554 H HIS A 115 8.091 4.638 4.779 1.00 0.00 H ATOM 1555 N TYR A 116 11.643 2.338 5.909 1.00 13.22 N ATOM 1556 CA TYR A 116 12.974 2.007 5.461 1.00 12.27 C ATOM 1557 C TYR A 116 13.105 0.881 4.433 1.00 11.00 C ATOM 1558 O TYR A 116 14.151 0.826 3.780 1.00 16.06 O ATOM 1559 CB TYR A 116 13.907 1.597 6.617 1.00 13.68 C ATOM 1560 CG TYR A 116 13.722 0.184 7.098 1.00 15.71 C ATOM 1561 CD1 TYR A 116 12.556 -0.215 7.741 1.00 13.20 C ATOM 1562 CD2 TYR A 116 14.706 -0.762 6.898 1.00 17.25 C ATOM 1563 CE1 TYR A 116 12.409 -1.523 8.167 1.00 15.40 C ATOM 1564 CE2 TYR A 116 14.577 -2.078 7.331 1.00 17.83 C ATOM 1565 CZ TYR A 116 13.422 -2.447 7.968 1.00 13.88 C ATOM 1566 OH TYR A 116 13.267 -3.756 8.400 1.00 18.63 O ATOM 1567 HA TYR A 116 13.256 2.947 4.988 1.00 0.00 H ATOM 1568 HB3 TYR A 116 13.725 2.269 7.456 1.00 0.00 H ATOM 1569 HB2 TYR A 116 14.937 1.710 6.279 1.00 0.00 H ATOM 1570 HD2 TYR A 116 15.619 -0.467 6.381 1.00 0.00 H ATOM 1571 HE2 TYR A 116 15.377 -2.799 7.167 1.00 0.00 H ATOM 1572 HE1 TYR A 116 11.488 -1.829 8.663 1.00 0.00 H ATOM 1573 HD1 TYR A 116 11.755 0.505 7.910 1.00 0.00 H ATOM 1574 HH TYR A 116 12.384 -3.856 8.837 1.00 0.00 H ATOM 1575 H TYR A 116 11.435 2.303 6.927 1.00 0.00 H ATOM 1576 N ASP A 117 12.171 -0.006 4.258 1.00 12.45 N ATOM 1577 CA ASP A 117 12.176 -1.130 3.329 1.00 11.46 C ATOM 1578 C ASP A 117 10.968 -1.230 2.402 1.00 11.14 C ATOM 1579 O ASP A 117 10.914 -2.234 1.661 1.00 11.39 O ATOM 1580 CB ASP A 117 12.317 -2.445 4.117 1.00 13.85 C ATOM 1581 CG ASP A 117 12.885 -3.601 3.317 1.00 11.56 C ATOM 1582 OD1 ASP A 117 13.897 -3.385 2.594 1.00 14.26 O ATOM 1583 OD2 ASP A 117 12.313 -4.709 3.435 1.00 15.58 O ATOM 1584 HA ASP A 117 13.028 -0.950 2.673 1.00 0.00 H ATOM 1585 HB2 ASP A 117 12.975 -2.264 4.967 1.00 0.00 H ATOM 1586 HB3 ASP A 117 11.330 -2.733 4.478 1.00 0.00 H ATOM 1587 H ASP A 117 11.322 0.098 4.849 1.00 0.00 H ATOM 1588 N MET A 118 9.970 -0.384 2.516 1.00 9.83 N ATOM 1589 CA MET A 118 8.717 -0.595 1.804 1.00 10.74 C ATOM 1590 C MET A 118 8.952 -0.813 0.313 1.00 11.24 C ATOM 1591 O MET A 118 8.210 -1.601 -0.256 1.00 11.02 O ATOM 1592 CB MET A 118 7.731 0.542 2.066 1.00 11.00 C ATOM 1593 CG MET A 118 8.252 1.906 1.634 1.00 10.60 C ATOM 1594 SD MET A 118 7.085 3.218 2.013 1.00 12.77 S ATOM 1595 CE MET A 118 5.750 2.792 0.899 1.00 12.55 C ATOM 1596 HA MET A 118 8.266 -1.508 2.192 1.00 0.00 H ATOM 1597 HB2 MET A 118 6.811 0.334 1.520 1.00 0.00 H ATOM 1598 HB3 MET A 118 7.518 0.576 3.134 1.00 0.00 H ATOM 1599 HG2 MET A 118 8.430 1.892 0.559 1.00 0.00 H ATOM 1600 HG3 MET A 118 9.189 2.106 2.153 1.00 0.00 H ATOM 1601 HE1 MET A 118 6.115 2.810 -0.128 1.00 0.00 H ATOM 1602 HE2 MET A 118 5.384 1.794 1.138 1.00 0.00 H ATOM 1603 HE3 MET A 118 4.941 3.514 1.011 1.00 0.00 H ATOM 1604 H MET A 118 10.076 0.452 3.126 1.00 0.00 H ATOM 1605 N LYS A 119 9.947 -0.169 -0.272 1.00 11.20 N ATOM 1606 CA LYS A 119 10.182 -0.300 -1.726 1.00 11.19 C ATOM 1607 C LYS A 119 10.653 -1.680 -2.177 1.00 10.66 C ATOM 1608 O LYS A 119 10.625 -2.039 -3.380 1.00 11.26 O ATOM 1609 CB LYS A 119 11.154 0.797 -2.182 1.00 11.69 C ATOM 1610 CG LYS A 119 10.683 2.227 -1.899 1.00 13.13 C ATOM 1611 CD LYS A 119 11.677 3.215 -2.458 1.00 13.83 C ATOM 1612 CE LYS A 119 11.448 4.651 -2.087 1.00 14.19 C ATOM 1613 NZ LYS A 119 12.712 5.370 -1.752 1.00 35.05 N ATOM 1614 HA LYS A 119 9.213 -0.175 -2.210 1.00 0.00 H ATOM 1615 HB2 LYS A 119 12.104 0.644 -1.669 1.00 0.00 H ATOM 1616 HB3 LYS A 119 11.302 0.694 -3.257 1.00 0.00 H ATOM 1617 HG2 LYS A 119 9.712 2.387 -2.367 1.00 0.00 H ATOM 1618 HG3 LYS A 119 10.595 2.372 -0.822 1.00 0.00 H ATOM 1619 HD2 LYS A 119 12.668 2.931 -2.103 1.00 0.00 H ATOM 1620 HD3 LYS A 119 11.648 3.141 -3.545 1.00 0.00 H ATOM 1621 HE2 LYS A 119 10.787 4.686 -1.221 1.00 0.00 H ATOM 1622 HE3 LYS A 119 10.972 5.156 -2.927 1.00 0.00 H ATOM 1623 HZ1 LYS A 119 13.172 4.902 -0.945 1.00 0.00 H ATOM 1624 HZ2 LYS A 119 13.348 5.351 -2.574 1.00 0.00 H ATOM 1625 HZ3 LYS A 119 12.493 6.356 -1.504 1.00 0.00 H ATOM 1626 H LYS A 119 10.572 0.437 0.297 1.00 0.00 H ATOM 1627 N ASN A 120 11.094 -2.487 -1.206 1.00 10.57 N ATOM 1628 CA ASN A 120 11.475 -3.864 -1.407 1.00 11.19 C ATOM 1629 C ASN A 120 10.384 -4.865 -1.075 1.00 12.19 C ATOM 1630 O ASN A 120 10.633 -6.068 -1.096 1.00 14.09 O ATOM 1631 CB ASN A 120 12.712 -4.170 -0.529 1.00 12.15 C ATOM 1632 CG ASN A 120 13.962 -3.532 -1.117 1.00 10.90 C ATOM 1633 OD1 ASN A 120 14.298 -3.704 -2.291 1.00 14.58 O ATOM 1634 ND2 ASN A 120 14.715 -2.822 -0.295 1.00 13.21 N ATOM 1635 HA ASN A 120 11.686 -3.975 -2.471 1.00 0.00 H ATOM 1636 HB2 ASN A 120 12.546 -3.775 0.473 1.00 0.00 H ATOM 1637 HB3 ASN A 120 12.853 -5.249 -0.474 1.00 0.00 H ATOM 1638 HD22 ASN A 120 14.420 -2.685 0.693 1.00 0.00 H ATOM 1639 HD21 ASN A 120 15.603 -2.401 -0.636 1.00 0.00 H ATOM 1640 H ASN A 120 11.167 -2.097 -0.245 1.00 0.00 H ATOM 1641 N ARG A 121 9.188 -4.387 -0.776 1.00 12.01 N ATOM 1642 CA ARG A 121 8.125 -5.276 -0.310 1.00 11.98 C ATOM 1643 C ARG A 121 6.828 -5.162 -1.103 1.00 12.70 C ATOM 1644 O ARG A 121 6.061 -4.202 -0.960 1.00 14.37 O ATOM 1645 CB ARG A 121 7.812 -4.993 1.163 1.00 14.70 C ATOM 1646 CG ARG A 121 9.002 -5.189 2.104 1.00 12.98 C ATOM 1647 CD ARG A 121 8.704 -4.672 3.493 1.00 14.27 C ATOM 1648 NE ARG A 121 9.766 -4.982 4.454 1.00 17.00 N ATOM 1649 CZ ARG A 121 9.698 -4.877 5.764 1.00 18.55 C ATOM 1650 NH1 ARG A 121 8.588 -4.444 6.346 1.00 15.51 N ATOM 1651 NH2 ARG A 121 10.720 -5.183 6.566 1.00 15.70 N ATOM 1652 HA ARG A 121 8.507 -6.287 -0.453 1.00 0.00 H ATOM 1653 HB2 ARG A 121 7.474 -3.960 1.249 1.00 0.00 H ATOM 1654 HB3 ARG A 121 7.012 -5.663 1.478 1.00 0.00 H ATOM 1655 HG2 ARG A 121 9.234 -6.252 2.164 1.00 0.00 H ATOM 1656 HG3 ARG A 121 9.862 -4.653 1.704 1.00 0.00 H ATOM 1657 HD2 ARG A 121 7.776 -5.124 3.842 1.00 0.00 H ATOM 1658 HD3 ARG A 121 8.583 -3.590 3.444 1.00 0.00 H ATOM 1659 HE ARG A 121 10.667 -5.320 4.060 1.00 0.00 H ATOM 1660 HH12 ARG A 121 8.541 -4.364 7.382 1.00 0.00 H ATOM 1661 HH11 ARG A 121 7.764 -4.185 5.767 1.00 0.00 H ATOM 1662 HH22 ARG A 121 10.620 -5.084 7.596 1.00 0.00 H ATOM 1663 HH21 ARG A 121 11.616 -5.520 6.160 1.00 0.00 H ATOM 1664 H ARG A 121 9.002 -3.368 -0.873 1.00 0.00 H ATOM 1665 N GLY A 122 6.551 -6.148 -1.952 1.00 13.64 N ATOM 1666 CA GLY A 122 5.295 -6.130 -2.702 1.00 12.22 C ATOM 1667 C GLY A 122 4.087 -6.000 -1.793 1.00 11.40 C ATOM 1668 O GLY A 122 3.083 -5.379 -2.119 1.00 12.72 O ATOM 1669 HA3 GLY A 122 5.211 -7.058 -3.268 1.00 0.00 H ATOM 1670 HA2 GLY A 122 5.309 -5.285 -3.391 1.00 0.00 H ATOM 1671 H GLY A 122 7.225 -6.929 -2.082 1.00 0.00 H ATOM 1672 N PHE A 123 4.164 -6.574 -0.605 1.00 12.00 N ATOM 1673 CA PHE A 123 3.033 -6.576 0.308 1.00 13.89 C ATOM 1674 C PHE A 123 2.744 -5.197 0.889 1.00 14.57 C ATOM 1675 O PHE A 123 1.663 -4.988 1.445 1.00 15.76 O ATOM 1676 CB PHE A 123 3.256 -7.595 1.413 1.00 15.56 C ATOM 1677 CG PHE A 123 4.374 -7.399 2.397 1.00 15.70 C ATOM 1678 CD1 PHE A 123 4.291 -6.519 3.451 1.00 13.79 C ATOM 1679 CD2 PHE A 123 5.554 -8.121 2.269 1.00 17.53 C ATOM 1680 CE1 PHE A 123 5.326 -6.335 4.348 1.00 17.32 C ATOM 1681 CE2 PHE A 123 6.592 -7.988 3.185 1.00 18.60 C ATOM 1682 CZ PHE A 123 6.461 -7.111 4.235 1.00 16.39 C ATOM 1683 HA PHE A 123 2.152 -6.858 -0.268 1.00 0.00 H ATOM 1684 HB2 PHE A 123 2.332 -7.642 1.990 1.00 0.00 H ATOM 1685 HB3 PHE A 123 3.428 -8.555 0.927 1.00 0.00 H ATOM 1686 HD2 PHE A 123 5.669 -8.808 1.431 1.00 0.00 H ATOM 1687 HE2 PHE A 123 7.503 -8.575 3.071 1.00 0.00 H ATOM 1688 HZ PHE A 123 7.254 -7.029 4.978 1.00 0.00 H ATOM 1689 HE1 PHE A 123 5.247 -5.586 5.136 1.00 0.00 H ATOM 1690 HD1 PHE A 123 3.374 -5.945 3.584 1.00 0.00 H ATOM 1691 H PHE A 123 5.052 -7.033 -0.318 1.00 0.00 H ATOM 1692 N MET A 124 3.714 -4.298 0.805 1.00 13.19 N ATOM 1693 CA MET A 124 3.449 -2.913 1.156 1.00 11.87 C ATOM 1694 C MET A 124 3.058 -2.053 -0.050 1.00 11.63 C ATOM 1695 O MET A 124 2.184 -1.201 0.065 1.00 12.09 O ATOM 1696 CB MET A 124 4.653 -2.299 1.905 1.00 11.98 C ATOM 1697 CG MET A 124 4.941 -3.024 3.222 1.00 11.86 C ATOM 1698 SD MET A 124 6.251 -2.272 4.228 1.00 15.40 S ATOM 1699 CE MET A 124 5.257 -1.223 5.277 1.00 13.48 C ATOM 1700 HA MET A 124 2.585 -2.920 1.821 1.00 0.00 H ATOM 1701 HB2 MET A 124 5.535 -2.364 1.267 1.00 0.00 H ATOM 1702 HB3 MET A 124 4.438 -1.252 2.119 1.00 0.00 H ATOM 1703 HG2 MET A 124 5.236 -4.047 2.990 1.00 0.00 H ATOM 1704 HG3 MET A 124 4.024 -3.036 3.811 1.00 0.00 H ATOM 1705 HE1 MET A 124 4.705 -0.514 4.661 1.00 0.00 H ATOM 1706 HE2 MET A 124 4.556 -1.837 5.843 1.00 0.00 H ATOM 1707 HE3 MET A 124 5.905 -0.681 5.965 1.00 0.00 H ATOM 1708 H MET A 124 4.663 -4.583 0.489 1.00 0.00 H ATOM 1709 N LEU A 125 3.716 -2.255 -1.186 1.00 12.34 N ATOM 1710 CA LEU A 125 3.524 -1.364 -2.325 1.00 11.33 C ATOM 1711 C LEU A 125 2.211 -1.655 -3.046 1.00 12.87 C ATOM 1712 O LEU A 125 1.577 -0.708 -3.489 1.00 12.98 O ATOM 1713 CB LEU A 125 4.643 -1.488 -3.350 1.00 11.56 C ATOM 1714 CG LEU A 125 6.076 -1.143 -2.879 1.00 9.98 C ATOM 1715 CD1 LEU A 125 7.057 -1.300 -4.024 1.00 15.52 C ATOM 1716 CD2 LEU A 125 6.138 0.243 -2.254 1.00 12.64 C ATOM 1717 HA LEU A 125 3.517 -0.357 -1.909 1.00 0.00 H ATOM 1718 HB2 LEU A 125 4.653 -2.520 -3.702 1.00 0.00 H ATOM 1719 HB3 LEU A 125 4.402 -0.825 -4.181 1.00 0.00 H ATOM 1720 HG LEU A 125 6.363 -1.847 -2.098 1.00 0.00 H ATOM 1721 HD21 LEU A 125 5.827 0.986 -2.989 1.00 0.00 H ATOM 1722 HD22 LEU A 125 5.472 0.282 -1.392 1.00 0.00 H ATOM 1723 HD23 LEU A 125 7.159 0.451 -1.935 1.00 0.00 H ATOM 1724 HD11 LEU A 125 7.037 -2.330 -4.380 1.00 0.00 H ATOM 1725 HD12 LEU A 125 6.777 -0.628 -4.836 1.00 0.00 H ATOM 1726 HD13 LEU A 125 8.061 -1.054 -3.677 1.00 0.00 H ATOM 1727 H LEU A 125 4.374 -3.056 -1.264 1.00 0.00 H ATOM 1728 N TRP A 126 1.841 -2.928 -3.200 1.00 13.61 N ATOM 1729 CA TRP A 126 0.625 -3.223 -3.949 1.00 12.00 C ATOM 1730 C TRP A 126 -0.622 -2.669 -3.290 1.00 11.61 C ATOM 1731 O TRP A 126 -1.477 -2.040 -3.938 1.00 11.99 O ATOM 1732 CB TRP A 126 0.447 -4.751 -4.173 1.00 15.47 C ATOM 1733 CG TRP A 126 1.179 -5.218 -5.400 1.00 15.82 C ATOM 1734 CD1 TRP A 126 2.175 -6.107 -5.467 1.00 15.61 C ATOM 1735 CD2 TRP A 126 0.899 -4.750 -6.683 1.00 15.56 C ATOM 1736 NE1 TRP A 126 2.540 -6.202 -6.847 1.00 16.55 N ATOM 1737 CE2 TRP A 126 1.775 -5.392 -7.543 1.00 17.02 C ATOM 1738 CE3 TRP A 126 -0.022 -3.836 -7.187 1.00 17.19 C ATOM 1739 CZ2 TRP A 126 1.787 -5.164 -8.918 1.00 19.92 C ATOM 1740 CZ3 TRP A 126 -0.006 -3.613 -8.572 1.00 17.54 C ATOM 1741 CH2 TRP A 126 0.857 -4.247 -9.397 1.00 18.71 C ATOM 1742 HA TRP A 126 0.749 -2.726 -4.911 1.00 0.00 H ATOM 1743 HB2 TRP A 126 0.835 -5.284 -3.305 1.00 0.00 H ATOM 1744 HB3 TRP A 126 -0.614 -4.971 -4.288 1.00 0.00 H ATOM 1745 HE1 TRP A 126 3.288 -6.812 -7.235 1.00 0.00 H ATOM 1746 HD1 TRP A 126 2.621 -6.652 -4.635 1.00 0.00 H ATOM 1747 HZ2 TRP A 126 2.486 -5.675 -9.580 1.00 0.00 H ATOM 1748 HH2 TRP A 126 0.823 -4.034 -10.465 1.00 0.00 H ATOM 1749 HZ3 TRP A 126 -0.715 -2.903 -8.998 1.00 0.00 H ATOM 1750 HE3 TRP A 126 -0.724 -3.317 -6.535 1.00 0.00 H ATOM 1751 H TRP A 126 2.410 -3.697 -2.793 1.00 0.00 H ATOM 1752 N PRO A 127 -0.837 -2.866 -1.999 1.00 10.25 N ATOM 1753 CA PRO A 127 -2.041 -2.235 -1.393 1.00 11.90 C ATOM 1754 C PRO A 127 -1.936 -0.730 -1.448 1.00 13.60 C ATOM 1755 O PRO A 127 -2.968 -0.051 -1.633 1.00 11.89 O ATOM 1756 CB PRO A 127 -2.059 -2.773 0.029 1.00 15.77 C ATOM 1757 CG PRO A 127 -1.125 -3.945 0.007 1.00 14.66 C ATOM 1758 CD PRO A 127 -0.061 -3.612 -1.007 1.00 11.82 C ATOM 1759 HA PRO A 127 -2.967 -2.469 -1.918 1.00 0.00 H ATOM 1760 HD3 PRO A 127 0.728 -2.998 -0.572 1.00 0.00 H ATOM 1761 HD2 PRO A 127 0.377 -4.513 -1.437 1.00 0.00 H ATOM 1762 HG3 PRO A 127 -1.659 -4.849 -0.287 1.00 0.00 H ATOM 1763 HG2 PRO A 127 -0.678 -4.092 0.990 1.00 0.00 H ATOM 1764 HB2 PRO A 127 -1.709 -2.016 0.731 1.00 0.00 H ATOM 1765 HB3 PRO A 127 -3.064 -3.088 0.308 1.00 0.00 H ATOM 1766 N LEU A 128 -0.723 -0.188 -1.297 1.00 12.69 N ATOM 1767 CA LEU A 128 -0.571 1.260 -1.459 1.00 13.02 C ATOM 1768 C LEU A 128 -0.943 1.728 -2.871 1.00 14.70 C ATOM 1769 O LEU A 128 -1.636 2.746 -2.987 1.00 11.90 O ATOM 1770 CB LEU A 128 0.856 1.671 -1.111 1.00 10.94 C ATOM 1771 CG LEU A 128 1.174 3.166 -1.233 1.00 12.56 C ATOM 1772 CD1 LEU A 128 0.327 3.998 -0.303 1.00 13.29 C ATOM 1773 CD2 LEU A 128 2.661 3.393 -0.972 1.00 21.66 C ATOM 1774 HA LEU A 128 -1.265 1.747 -0.774 1.00 0.00 H ATOM 1775 HB2 LEU A 128 1.047 1.372 -0.080 1.00 0.00 H ATOM 1776 HB3 LEU A 128 1.530 1.131 -1.776 1.00 0.00 H ATOM 1777 HG LEU A 128 0.934 3.487 -2.247 1.00 0.00 H ATOM 1778 HD21 LEU A 128 2.909 3.049 0.032 1.00 0.00 H ATOM 1779 HD22 LEU A 128 3.246 2.836 -1.703 1.00 0.00 H ATOM 1780 HD23 LEU A 128 2.886 4.456 -1.059 1.00 0.00 H ATOM 1781 HD11 LEU A 128 -0.726 3.851 -0.544 1.00 0.00 H ATOM 1782 HD12 LEU A 128 0.512 3.692 0.727 1.00 0.00 H ATOM 1783 HD13 LEU A 128 0.585 5.050 -0.422 1.00 0.00 H ATOM 1784 H LEU A 128 0.098 -0.784 -1.069 1.00 0.00 H ATOM 1785 N PHE A 129 -0.492 1.037 -3.907 1.00 12.04 N ATOM 1786 CA PHE A 129 -0.810 1.376 -5.293 1.00 10.73 C ATOM 1787 C PHE A 129 -2.303 1.331 -5.605 1.00 12.19 C ATOM 1788 O PHE A 129 -2.843 2.070 -6.440 1.00 13.17 O ATOM 1789 CB PHE A 129 -0.033 0.437 -6.217 1.00 12.60 C ATOM 1790 CG PHE A 129 -0.355 0.641 -7.679 1.00 11.59 C ATOM 1791 CD1 PHE A 129 0.179 1.752 -8.302 1.00 14.32 C ATOM 1792 CD2 PHE A 129 -1.180 -0.207 -8.378 1.00 12.05 C ATOM 1793 CE1 PHE A 129 -0.090 2.020 -9.616 1.00 12.30 C ATOM 1794 CE2 PHE A 129 -1.410 0.030 -9.738 1.00 14.90 C ATOM 1795 CZ PHE A 129 -0.865 1.145 -10.352 1.00 15.40 C ATOM 1796 HA PHE A 129 -0.511 2.411 -5.458 1.00 0.00 H ATOM 1797 HB2 PHE A 129 1.033 0.609 -6.069 1.00 0.00 H ATOM 1798 HB3 PHE A 129 -0.274 -0.592 -5.949 1.00 0.00 H ATOM 1799 HD2 PHE A 129 -1.650 -1.055 -7.879 1.00 0.00 H ATOM 1800 HE2 PHE A 129 -2.020 -0.665 -10.315 1.00 0.00 H ATOM 1801 HZ PHE A 129 -1.047 1.331 -11.411 1.00 0.00 H ATOM 1802 HE1 PHE A 129 0.306 2.922 -10.081 1.00 0.00 H ATOM 1803 HD1 PHE A 129 0.824 2.425 -7.738 1.00 0.00 H ATOM 1804 H PHE A 129 0.117 0.214 -3.726 1.00 0.00 H ATOM 1805 N GLU A 130 -3.037 0.458 -4.895 1.00 11.17 N ATOM 1806 CA GLU A 130 -4.471 0.412 -5.096 1.00 12.98 C ATOM 1807 C GLU A 130 -5.151 1.710 -4.698 1.00 12.08 C ATOM 1808 O GLU A 130 -6.107 2.110 -5.360 1.00 15.56 O ATOM 1809 CB GLU A 130 -5.092 -0.748 -4.291 1.00 13.69 C ATOM 1810 CG GLU A 130 -6.605 -0.795 -4.344 1.00 16.28 C ATOM 1811 CD GLU A 130 -7.220 -1.809 -3.395 1.00 20.77 C ATOM 1812 OE1 GLU A 130 -6.515 -2.564 -2.715 1.00 19.67 O ATOM 1813 OE2 GLU A 130 -8.468 -1.849 -3.364 1.00 36.34 O ATOM 1814 HA GLU A 130 -4.632 0.256 -6.163 1.00 0.00 H ATOM 1815 HB2 GLU A 130 -4.706 -1.687 -4.688 1.00 0.00 H ATOM 1816 HB3 GLU A 130 -4.788 -0.644 -3.249 1.00 0.00 H ATOM 1817 HG2 GLU A 130 -6.989 0.193 -4.088 1.00 0.00 H ATOM 1818 HG3 GLU A 130 -6.906 -1.048 -5.361 1.00 0.00 H ATOM 1819 H GLU A 130 -2.581 -0.177 -4.209 1.00 0.00 H ATOM 1820 N ILE A 131 -4.671 2.338 -3.621 1.00 12.45 N ATOM 1821 CA ILE A 131 -5.330 3.524 -3.109 1.00 14.37 C ATOM 1822 C ILE A 131 -4.584 4.803 -3.479 1.00 11.80 C ATOM 1823 O ILE A 131 -5.141 5.887 -3.318 1.00 15.52 O ATOM 1824 CB ILE A 131 -5.519 3.430 -1.575 1.00 15.50 C ATOM 1825 CG1 ILE A 131 -4.216 3.427 -0.778 1.00 13.47 C ATOM 1826 CG2 ILE A 131 -6.373 2.214 -1.235 1.00 15.46 C ATOM 1827 CD1 ILE A 131 -4.433 3.584 0.713 1.00 17.32 C ATOM 1828 HA ILE A 131 -6.311 3.572 -3.581 1.00 0.00 H ATOM 1829 HB ILE A 131 -6.031 4.343 -1.271 1.00 0.00 H ATOM 1830 HG12 ILE A 131 -3.701 2.483 -0.957 1.00 0.00 H ATOM 1831 HG13 ILE A 131 -3.593 4.251 -1.127 1.00 0.00 H ATOM 1832 HD11 ILE A 131 -4.938 4.530 0.908 1.00 0.00 H ATOM 1833 HD12 ILE A 131 -5.047 2.761 1.078 1.00 0.00 H ATOM 1834 HD13 ILE A 131 -3.469 3.574 1.222 1.00 0.00 H ATOM 1835 HG21 ILE A 131 -7.347 2.310 -1.714 1.00 0.00 H ATOM 1836 HG22 ILE A 131 -5.878 1.312 -1.594 1.00 0.00 H ATOM 1837 HG23 ILE A 131 -6.502 2.153 -0.154 1.00 0.00 H ATOM 1838 H ILE A 131 -3.820 1.974 -3.147 1.00 0.00 H ATOM 1839 N ALA A 132 -3.333 4.716 -3.940 1.00 14.35 N ATOM 1840 CA ALA A 132 -2.601 5.918 -4.353 1.00 13.78 C ATOM 1841 C ALA A 132 -1.717 5.604 -5.553 1.00 13.11 C ATOM 1842 O ALA A 132 -0.505 5.691 -5.548 1.00 13.31 O ATOM 1843 CB ALA A 132 -1.781 6.500 -3.212 1.00 16.93 C ATOM 1844 HA ALA A 132 -3.331 6.675 -4.640 1.00 0.00 H ATOM 1845 HB1 ALA A 132 -2.444 6.768 -2.390 1.00 0.00 H ATOM 1846 HB2 ALA A 132 -1.058 5.759 -2.871 1.00 0.00 H ATOM 1847 HB3 ALA A 132 -1.255 7.389 -3.561 1.00 0.00 H ATOM 1848 H ALA A 132 -2.873 3.786 -4.007 1.00 0.00 H ATOM 1849 N PRO A 133 -2.334 5.222 -6.663 1.00 14.36 N ATOM 1850 CA PRO A 133 -1.577 4.771 -7.828 1.00 11.56 C ATOM 1851 C PRO A 133 -0.591 5.812 -8.343 1.00 9.75 C ATOM 1852 O PRO A 133 0.408 5.424 -8.966 1.00 12.40 O ATOM 1853 CB PRO A 133 -2.655 4.442 -8.884 1.00 12.03 C ATOM 1854 CG PRO A 133 -3.821 5.248 -8.402 1.00 15.60 C ATOM 1855 CD PRO A 133 -3.778 5.200 -6.905 1.00 15.31 C ATOM 1856 HA PRO A 133 -0.951 3.914 -7.581 1.00 0.00 H ATOM 1857 HD3 PRO A 133 -4.271 6.066 -6.463 1.00 0.00 H ATOM 1858 HD2 PRO A 133 -4.234 4.288 -6.521 1.00 0.00 H ATOM 1859 HG3 PRO A 133 -4.754 4.818 -8.767 1.00 0.00 H ATOM 1860 HG2 PRO A 133 -3.737 6.278 -8.749 1.00 0.00 H ATOM 1861 HB2 PRO A 133 -2.342 4.755 -9.880 1.00 0.00 H ATOM 1862 HB3 PRO A 133 -2.887 3.377 -8.895 1.00 0.00 H ATOM 1863 N GLU A 134 -0.786 7.092 -8.111 1.00 10.76 N ATOM 1864 CA GLU A 134 -0.013 8.175 -8.694 1.00 11.88 C ATOM 1865 C GLU A 134 1.100 8.662 -7.759 1.00 12.93 C ATOM 1866 O GLU A 134 1.771 9.670 -7.986 1.00 15.86 O ATOM 1867 CB GLU A 134 -0.902 9.358 -9.061 1.00 14.07 C ATOM 1868 CG GLU A 134 -2.011 9.063 -10.043 1.00 16.40 C ATOM 1869 CD GLU A 134 -1.537 8.251 -11.243 1.00 19.68 C ATOM 1870 OE1 GLU A 134 -0.751 8.749 -12.062 1.00 22.23 O ATOM 1871 OE2 GLU A 134 -1.961 7.086 -11.367 1.00 26.67 O ATOM 1872 HA GLU A 134 0.443 7.767 -9.596 1.00 0.00 H ATOM 1873 HB2 GLU A 134 -1.357 9.733 -8.144 1.00 0.00 H ATOM 1874 HB3 GLU A 134 -0.268 10.132 -9.493 1.00 0.00 H ATOM 1875 HG2 GLU A 134 -2.792 8.502 -9.529 1.00 0.00 H ATOM 1876 HG3 GLU A 134 -2.420 10.008 -10.401 1.00 0.00 H ATOM 1877 H GLU A 134 -1.554 7.349 -7.459 1.00 0.00 H ATOM 1878 N LEU A 135 1.301 7.915 -6.682 1.00 13.67 N ATOM 1879 CA LEU A 135 2.242 8.352 -5.652 1.00 12.19 C ATOM 1880 C LEU A 135 3.675 8.525 -6.142 1.00 12.38 C ATOM 1881 O LEU A 135 4.227 7.690 -6.862 1.00 14.68 O ATOM 1882 CB LEU A 135 2.212 7.334 -4.515 1.00 13.75 C ATOM 1883 CG LEU A 135 2.921 7.789 -3.233 1.00 21.54 C ATOM 1884 CD1 LEU A 135 1.902 7.846 -2.104 1.00 24.06 C ATOM 1885 CD2 LEU A 135 4.079 6.859 -2.949 1.00 30.23 C ATOM 1886 HA LEU A 135 1.921 9.341 -5.326 1.00 0.00 H ATOM 1887 HB2 LEU A 135 1.170 7.125 -4.272 1.00 0.00 H ATOM 1888 HB3 LEU A 135 2.692 6.420 -4.864 1.00 0.00 H ATOM 1889 HG LEU A 135 3.340 8.790 -3.341 1.00 0.00 H ATOM 1890 HD21 LEU A 135 3.705 5.843 -2.820 1.00 0.00 H ATOM 1891 HD22 LEU A 135 4.779 6.886 -3.784 1.00 0.00 H ATOM 1892 HD23 LEU A 135 4.586 7.179 -2.038 1.00 0.00 H ATOM 1893 HD11 LEU A 135 1.114 8.554 -2.363 1.00 0.00 H ATOM 1894 HD12 LEU A 135 1.469 6.857 -1.957 1.00 0.00 H ATOM 1895 HD13 LEU A 135 2.395 8.169 -1.187 1.00 0.00 H ATOM 1896 H LEU A 135 0.789 7.017 -6.570 1.00 0.00 H ATOM 1897 N VAL A 136 4.271 9.630 -5.703 1.00 13.74 N ATOM 1898 CA VAL A 136 5.655 9.946 -5.969 1.00 14.05 C ATOM 1899 C VAL A 136 6.367 10.025 -4.625 1.00 11.67 C ATOM 1900 O VAL A 136 5.888 10.793 -3.789 1.00 13.78 O ATOM 1901 CB VAL A 136 5.761 11.246 -6.779 1.00 19.57 C ATOM 1902 CG1 VAL A 136 7.232 11.555 -7.005 1.00 17.66 C ATOM 1903 CG2 VAL A 136 5.050 11.177 -8.117 1.00 28.18 C ATOM 1904 HA VAL A 136 6.131 9.178 -6.578 1.00 0.00 H ATOM 1905 HB VAL A 136 5.270 12.032 -6.205 1.00 0.00 H ATOM 1906 HG11 VAL A 136 7.729 11.674 -6.042 1.00 0.00 H ATOM 1907 HG12 VAL A 136 7.694 10.735 -7.555 1.00 0.00 H ATOM 1908 HG13 VAL A 136 7.324 12.477 -7.580 1.00 0.00 H ATOM 1909 HG21 VAL A 136 5.485 10.378 -8.717 1.00 0.00 H ATOM 1910 HG22 VAL A 136 3.991 10.975 -7.954 1.00 0.00 H ATOM 1911 HG23 VAL A 136 5.164 12.128 -8.637 1.00 0.00 H ATOM 1912 H VAL A 136 3.712 10.301 -5.139 1.00 0.00 H ATOM 1913 N PHE A 137 7.414 9.231 -4.409 1.00 13.16 N ATOM 1914 CA PHE A 137 8.136 9.309 -3.161 1.00 13.81 C ATOM 1915 C PHE A 137 8.906 10.610 -2.982 1.00 13.40 C ATOM 1916 O PHE A 137 9.177 11.325 -3.940 1.00 17.27 O ATOM 1917 CB PHE A 137 9.160 8.156 -3.066 1.00 13.73 C ATOM 1918 CG PHE A 137 8.442 6.831 -2.817 1.00 12.65 C ATOM 1919 CD1 PHE A 137 7.933 6.096 -3.883 1.00 14.06 C ATOM 1920 CD2 PHE A 137 8.267 6.351 -1.529 1.00 12.38 C ATOM 1921 CE1 PHE A 137 7.280 4.909 -3.626 1.00 13.74 C ATOM 1922 CE2 PHE A 137 7.643 5.145 -1.310 1.00 12.25 C ATOM 1923 CZ PHE A 137 7.122 4.406 -2.347 1.00 14.28 C ATOM 1924 HA PHE A 137 7.376 9.247 -2.382 1.00 0.00 H ATOM 1925 HB2 PHE A 137 9.719 8.093 -4.000 1.00 0.00 H ATOM 1926 HB3 PHE A 137 9.849 8.353 -2.244 1.00 0.00 H ATOM 1927 HD2 PHE A 137 8.627 6.934 -0.682 1.00 0.00 H ATOM 1928 HE2 PHE A 137 7.559 4.766 -0.291 1.00 0.00 H ATOM 1929 HZ PHE A 137 6.606 3.463 -2.168 1.00 0.00 H ATOM 1930 HE1 PHE A 137 6.872 4.344 -4.464 1.00 0.00 H ATOM 1931 HD1 PHE A 137 8.049 6.453 -4.906 1.00 0.00 H ATOM 1932 H PHE A 137 7.712 8.554 -5.140 1.00 0.00 H ATOM 1933 N PRO A 138 9.289 10.963 -1.768 1.00 12.95 N ATOM 1934 CA PRO A 138 10.110 12.157 -1.555 1.00 15.96 C ATOM 1935 C PRO A 138 11.386 12.162 -2.385 1.00 14.32 C ATOM 1936 O PRO A 138 11.855 13.239 -2.760 1.00 17.47 O ATOM 1937 CB PRO A 138 10.417 12.129 -0.046 1.00 14.19 C ATOM 1938 CG PRO A 138 9.195 11.445 0.506 1.00 11.96 C ATOM 1939 CD PRO A 138 8.936 10.330 -0.502 1.00 12.42 C ATOM 1940 HA PRO A 138 9.590 13.062 -1.870 1.00 0.00 H ATOM 1941 HD3 PRO A 138 9.568 9.464 -0.304 1.00 0.00 H ATOM 1942 HD2 PRO A 138 7.890 10.024 -0.492 1.00 0.00 H ATOM 1943 HG3 PRO A 138 8.350 12.132 0.555 1.00 0.00 H ATOM 1944 HG2 PRO A 138 9.389 11.038 1.498 1.00 0.00 H ATOM 1945 HB2 PRO A 138 11.321 11.558 0.165 1.00 0.00 H ATOM 1946 HB3 PRO A 138 10.524 13.136 0.356 1.00 0.00 H ATOM 1947 N ASP A 139 12.015 11.058 -2.697 1.00 14.18 N ATOM 1948 CA ASP A 139 13.232 11.053 -3.522 1.00 14.51 C ATOM 1949 C ASP A 139 12.945 11.119 -5.016 1.00 16.19 C ATOM 1950 O ASP A 139 13.923 11.140 -5.781 1.00 16.46 O ATOM 1951 CB ASP A 139 14.081 9.833 -3.221 1.00 15.74 C ATOM 1952 CG ASP A 139 13.605 8.521 -3.790 1.00 15.73 C ATOM 1953 OD1 ASP A 139 12.425 8.431 -4.198 1.00 17.64 O ATOM 1954 OD2 ASP A 139 14.408 7.560 -3.811 1.00 16.36 O ATOM 1955 HA ASP A 139 13.778 11.959 -3.257 1.00 0.00 H ATOM 1956 HB2 ASP A 139 15.080 10.021 -3.613 1.00 0.00 H ATOM 1957 HB3 ASP A 139 14.132 9.725 -2.138 1.00 0.00 H ATOM 1958 H ASP A 139 11.641 10.152 -2.349 1.00 0.00 H ATOM 1959 N GLY A 140 11.675 11.175 -5.394 1.00 17.32 N ATOM 1960 CA GLY A 140 11.222 11.370 -6.774 1.00 16.77 C ATOM 1961 C GLY A 140 10.869 10.092 -7.500 1.00 13.95 C ATOM 1962 O GLY A 140 10.335 10.084 -8.601 1.00 17.73 O ATOM 1963 HA3 GLY A 140 12.018 11.869 -7.327 1.00 0.00 H ATOM 1964 HA2 GLY A 140 10.338 12.008 -6.756 1.00 0.00 H ATOM 1965 H GLY A 140 10.948 11.073 -4.658 1.00 0.00 H ATOM 1966 N GLU A 141 11.148 8.958 -6.836 1.00 14.00 N ATOM 1967 CA GLU A 141 10.751 7.695 -7.418 1.00 14.63 C ATOM 1968 C GLU A 141 9.228 7.600 -7.468 1.00 11.08 C ATOM 1969 O GLU A 141 8.549 8.193 -6.660 1.00 17.17 O ATOM 1970 CB GLU A 141 11.290 6.527 -6.607 1.00 12.96 C ATOM 1971 CG GLU A 141 12.801 6.351 -6.607 1.00 11.81 C ATOM 1972 CD GLU A 141 13.172 5.182 -5.723 1.00 10.97 C ATOM 1973 OE1 GLU A 141 12.934 4.053 -6.220 1.00 15.21 O ATOM 1974 OE2 GLU A 141 13.656 5.423 -4.612 1.00 19.01 O ATOM 1975 HA GLU A 141 11.163 7.647 -8.426 1.00 0.00 H ATOM 1976 HB2 GLU A 141 10.971 6.663 -5.574 1.00 0.00 H ATOM 1977 HB3 GLU A 141 10.848 5.613 -7.005 1.00 0.00 H ATOM 1978 HG2 GLU A 141 13.145 6.162 -7.624 1.00 0.00 H ATOM 1979 HG3 GLU A 141 13.273 7.258 -6.228 1.00 0.00 H ATOM 1980 H GLU A 141 11.640 8.988 -5.920 1.00 0.00 H ATOM 1981 N MET A 142 8.774 6.865 -8.465 1.00 13.64 N ATOM 1982 CA MET A 142 7.349 6.710 -8.773 1.00 14.89 C ATOM 1983 C MET A 142 6.905 5.322 -8.342 1.00 15.53 C ATOM 1984 O MET A 142 7.505 4.323 -8.706 1.00 16.94 O ATOM 1985 CB MET A 142 7.045 6.969 -10.257 1.00 14.73 C ATOM 1986 CG MET A 142 7.471 8.328 -10.770 1.00 16.88 C ATOM 1987 SD MET A 142 7.170 8.566 -12.531 1.00 16.37 S ATOM 1988 CE MET A 142 8.113 7.233 -13.264 1.00 26.30 C ATOM 1989 HA MET A 142 6.784 7.460 -8.219 1.00 0.00 H ATOM 1990 HB2 MET A 142 7.559 6.209 -10.845 1.00 0.00 H ATOM 1991 HB3 MET A 142 5.969 6.874 -10.404 1.00 0.00 H ATOM 1992 HG2 MET A 142 8.538 8.447 -10.584 1.00 0.00 H ATOM 1993 HG3 MET A 142 6.920 9.091 -10.220 1.00 0.00 H ATOM 1994 HE1 MET A 142 9.163 7.342 -12.994 1.00 0.00 H ATOM 1995 HE2 MET A 142 7.738 6.279 -12.894 1.00 0.00 H ATOM 1996 HE3 MET A 142 8.009 7.270 -14.348 1.00 0.00 H ATOM 1997 H MET A 142 9.464 6.369 -9.065 1.00 0.00 H ATOM 1998 N LEU A 143 5.826 5.209 -7.567 1.00 15.32 N ATOM 1999 CA LEU A 143 5.355 3.911 -7.121 1.00 13.21 C ATOM 2000 C LEU A 143 5.078 2.990 -8.297 1.00 12.39 C ATOM 2001 O LEU A 143 5.547 1.856 -8.298 1.00 14.01 O ATOM 2002 CB LEU A 143 4.117 4.159 -6.269 1.00 13.78 C ATOM 2003 CG LEU A 143 3.359 2.952 -5.722 1.00 13.18 C ATOM 2004 CD1 LEU A 143 4.260 2.063 -4.885 1.00 14.59 C ATOM 2005 CD2 LEU A 143 2.131 3.391 -4.900 1.00 14.10 C ATOM 2006 HA LEU A 143 6.115 3.400 -6.530 1.00 0.00 H ATOM 2007 HB2 LEU A 143 4.429 4.759 -5.414 1.00 0.00 H ATOM 2008 HB3 LEU A 143 3.416 4.732 -6.877 1.00 0.00 H ATOM 2009 HG LEU A 143 3.013 2.374 -6.579 1.00 0.00 H ATOM 2010 HD21 LEU A 143 2.458 4.006 -4.062 1.00 0.00 H ATOM 2011 HD22 LEU A 143 1.458 3.967 -5.535 1.00 0.00 H ATOM 2012 HD23 LEU A 143 1.613 2.509 -4.524 1.00 0.00 H ATOM 2013 HD11 LEU A 143 5.086 1.704 -5.499 1.00 0.00 H ATOM 2014 HD12 LEU A 143 4.653 2.635 -4.044 1.00 0.00 H ATOM 2015 HD13 LEU A 143 3.686 1.214 -4.512 1.00 0.00 H ATOM 2016 H LEU A 143 5.313 6.066 -7.277 1.00 0.00 H ATOM 2017 N ARG A 144 4.374 3.429 -9.325 1.00 12.21 N ATOM 2018 CA ARG A 144 4.136 2.586 -10.500 1.00 12.73 C ATOM 2019 C ARG A 144 5.408 2.065 -11.134 1.00 13.93 C ATOM 2020 O ARG A 144 5.417 0.932 -11.657 1.00 15.73 O ATOM 2021 CB ARG A 144 3.295 3.356 -11.518 1.00 16.67 C ATOM 2022 CG ARG A 144 4.068 3.961 -12.666 1.00 20.70 C ATOM 2023 CD ARG A 144 3.176 4.673 -13.672 1.00 22.87 C ATOM 2024 NE ARG A 144 2.414 5.769 -13.089 1.00 21.82 N ATOM 2025 CZ ARG A 144 2.855 7.001 -12.868 1.00 22.27 C ATOM 2026 NH1 ARG A 144 4.105 7.318 -13.189 1.00 22.96 N ATOM 2027 NH2 ARG A 144 2.016 7.889 -12.326 1.00 20.47 N ATOM 2028 HA ARG A 144 3.593 1.704 -10.160 1.00 0.00 H ATOM 2029 HB2 ARG A 144 2.556 2.670 -11.933 1.00 0.00 H ATOM 2030 HB3 ARG A 144 2.785 4.163 -10.992 1.00 0.00 H ATOM 2031 HG2 ARG A 144 4.782 4.680 -12.264 1.00 0.00 H ATOM 2032 HG3 ARG A 144 4.606 3.165 -13.181 1.00 0.00 H ATOM 2033 HD2 ARG A 144 2.477 3.948 -14.089 1.00 0.00 H ATOM 2034 HD3 ARG A 144 3.803 5.072 -14.469 1.00 0.00 H ATOM 2035 HE ARG A 144 1.430 5.567 -12.820 1.00 0.00 H ATOM 2036 HH12 ARG A 144 4.457 8.282 -13.019 1.00 0.00 H ATOM 2037 HH11 ARG A 144 4.731 6.603 -13.611 1.00 0.00 H ATOM 2038 HH22 ARG A 144 2.336 8.861 -12.142 1.00 0.00 H ATOM 2039 HH21 ARG A 144 1.043 7.608 -12.088 1.00 0.00 H ATOM 2040 H ARG A 144 3.981 4.392 -9.300 1.00 0.00 H ATOM 2041 N GLN A 145 6.492 2.830 -11.129 1.00 13.89 N ATOM 2042 CA GLN A 145 7.729 2.403 -11.752 1.00 15.19 C ATOM 2043 C GLN A 145 8.393 1.311 -10.936 1.00 17.44 C ATOM 2044 O GLN A 145 8.932 0.335 -11.483 1.00 13.63 O ATOM 2045 CB GLN A 145 8.712 3.582 -11.896 1.00 20.24 C ATOM 2046 CG GLN A 145 9.921 3.266 -12.763 1.00 26.25 C ATOM 2047 CD GLN A 145 9.469 2.862 -14.159 1.00 26.32 C ATOM 2048 OE1 GLN A 145 9.189 3.684 -15.032 1.00 40.82 O ATOM 2049 NE2 GLN A 145 9.363 1.552 -14.349 1.00 33.23 N ATOM 2050 HA GLN A 145 7.478 2.020 -12.741 1.00 0.00 H ATOM 2051 HB2 GLN A 145 8.179 4.423 -12.341 1.00 0.00 H ATOM 2052 HB3 GLN A 145 9.064 3.861 -10.903 1.00 0.00 H ATOM 2053 HG2 GLN A 145 10.558 4.148 -12.831 1.00 0.00 H ATOM 2054 HG3 GLN A 145 10.483 2.447 -12.314 1.00 0.00 H ATOM 2055 HE22 GLN A 145 9.611 0.894 -13.583 1.00 0.00 H ATOM 2056 HE21 GLN A 145 9.032 1.184 -15.264 1.00 0.00 H ATOM 2057 H GLN A 145 6.453 3.760 -10.666 1.00 0.00 H ATOM 2058 N ILE A 146 8.393 1.490 -9.606 1.00 12.97 N ATOM 2059 CA ILE A 146 9.016 0.476 -8.771 1.00 12.16 C ATOM 2060 C ILE A 146 8.298 -0.842 -8.975 1.00 12.05 C ATOM 2061 O ILE A 146 8.958 -1.874 -9.067 1.00 11.42 O ATOM 2062 CB ILE A 146 9.002 0.912 -7.302 1.00 12.65 C ATOM 2063 CG1 ILE A 146 9.786 2.208 -7.072 1.00 15.47 C ATOM 2064 CG2 ILE A 146 9.454 -0.217 -6.368 1.00 13.91 C ATOM 2065 CD1 ILE A 146 9.658 2.723 -5.651 1.00 15.16 C ATOM 2066 HA ILE A 146 10.060 0.348 -9.057 1.00 0.00 H ATOM 2067 HB ILE A 146 7.965 1.134 -7.049 1.00 0.00 H ATOM 2068 HG12 ILE A 146 10.839 2.021 -7.282 1.00 0.00 H ATOM 2069 HG13 ILE A 146 9.410 2.970 -7.755 1.00 0.00 H ATOM 2070 HD11 ILE A 146 8.609 2.922 -5.431 1.00 0.00 H ATOM 2071 HD12 ILE A 146 10.040 1.973 -4.958 1.00 0.00 H ATOM 2072 HD13 ILE A 146 10.234 3.643 -5.546 1.00 0.00 H ATOM 2073 HG21 ILE A 146 8.783 -1.069 -6.479 1.00 0.00 H ATOM 2074 HG22 ILE A 146 10.470 -0.516 -6.627 1.00 0.00 H ATOM 2075 HG23 ILE A 146 9.429 0.135 -5.337 1.00 0.00 H ATOM 2076 H ILE A 146 7.958 2.334 -9.183 1.00 0.00 H ATOM 2077 N LEU A 147 6.967 -0.761 -9.039 1.00 16.06 N ATOM 2078 CA LEU A 147 6.215 -1.998 -9.244 1.00 14.08 C ATOM 2079 C LEU A 147 6.530 -2.628 -10.595 1.00 14.52 C ATOM 2080 O LEU A 147 6.683 -3.842 -10.687 1.00 16.00 O ATOM 2081 CB LEU A 147 4.741 -1.700 -9.052 1.00 15.24 C ATOM 2082 CG LEU A 147 4.239 -1.535 -7.618 1.00 15.09 C ATOM 2083 CD1 LEU A 147 2.793 -1.078 -7.585 1.00 19.13 C ATOM 2084 CD2 LEU A 147 4.390 -2.859 -6.874 1.00 16.55 C ATOM 2085 HA LEU A 147 6.513 -2.745 -8.508 1.00 0.00 H ATOM 2086 HB2 LEU A 147 4.522 -0.774 -9.584 1.00 0.00 H ATOM 2087 HB3 LEU A 147 4.180 -2.518 -9.503 1.00 0.00 H ATOM 2088 HG LEU A 147 4.838 -0.767 -7.129 1.00 0.00 H ATOM 2089 HD21 LEU A 147 3.805 -3.627 -7.380 1.00 0.00 H ATOM 2090 HD22 LEU A 147 5.440 -3.150 -6.862 1.00 0.00 H ATOM 2091 HD23 LEU A 147 4.032 -2.742 -5.851 1.00 0.00 H ATOM 2092 HD11 LEU A 147 2.705 -0.119 -8.095 1.00 0.00 H ATOM 2093 HD12 LEU A 147 2.168 -1.817 -8.087 1.00 0.00 H ATOM 2094 HD13 LEU A 147 2.470 -0.971 -6.549 1.00 0.00 H ATOM 2095 H LEU A 147 6.480 0.153 -8.946 1.00 0.00 H ATOM 2096 N HIS A 148 6.659 -1.870 -11.658 1.00 15.69 N ATOM 2097 CA HIS A 148 7.085 -2.422 -12.960 1.00 18.44 C ATOM 2098 C HIS A 148 8.466 -3.049 -12.962 1.00 18.01 C ATOM 2099 O HIS A 148 8.755 -4.154 -13.437 1.00 20.07 O ATOM 2100 CB HIS A 148 7.089 -1.265 -13.971 1.00 22.95 C ATOM 2101 CG HIS A 148 5.900 -1.184 -14.850 1.00 23.39 C ATOM 2102 ND1 HIS A 148 4.825 -0.343 -14.726 1.00 26.81 N ATOM 2103 CD2 HIS A 148 5.590 -1.883 -15.946 1.00 21.66 C ATOM 2104 CE1 HIS A 148 3.946 -0.544 -15.684 1.00 22.57 C ATOM 2105 NE2 HIS A 148 4.389 -1.503 -16.471 1.00 20.81 N ATOM 2106 HA HIS A 148 6.386 -3.220 -13.209 1.00 0.00 H ATOM 2107 HB2 HIS A 148 7.159 -0.331 -13.413 1.00 0.00 H ATOM 2108 HB3 HIS A 148 7.969 -1.375 -14.605 1.00 0.00 H ATOM 2109 HD2 HIS A 148 6.221 -2.664 -16.370 1.00 0.00 H ATOM 2110 HE1 HIS A 148 3.006 -0.006 -15.806 1.00 0.00 H ATOM 2111 H HIS A 148 6.456 -0.853 -11.582 1.00 0.00 H ATOM 2112 N THR A 149 9.416 -2.281 -12.415 1.00 16.76 N ATOM 2113 CA THR A 149 10.797 -2.728 -12.487 1.00 17.75 C ATOM 2114 C THR A 149 11.062 -3.939 -11.610 1.00 16.87 C ATOM 2115 O THR A 149 11.767 -4.863 -11.974 1.00 16.52 O ATOM 2116 CB THR A 149 11.740 -1.585 -12.066 1.00 21.87 C ATOM 2117 OG1 THR A 149 11.809 -0.690 -13.167 1.00 22.37 O ATOM 2118 CG2 THR A 149 13.123 -2.139 -11.830 1.00 25.53 C ATOM 2119 HA THR A 149 10.985 -3.017 -13.521 1.00 0.00 H ATOM 2120 HB THR A 149 11.381 -1.098 -11.159 1.00 0.00 H ATOM 2121 HG1 THR A 149 12.408 0.065 -12.940 1.00 0.00 H ATOM 2122 HG23 THR A 149 13.097 -2.831 -10.988 1.00 0.00 H ATOM 2123 HG21 THR A 149 13.460 -2.665 -12.723 1.00 0.00 H ATOM 2124 HG22 THR A 149 13.808 -1.321 -11.609 1.00 0.00 H ATOM 2125 H THR A 149 9.171 -1.384 -11.949 1.00 0.00 H ATOM 2126 N ARG A 150 10.465 -3.907 -10.418 1.00 16.74 N ATOM 2127 CA ARG A 150 10.721 -5.024 -9.513 1.00 14.23 C ATOM 2128 C ARG A 150 9.873 -6.208 -9.947 1.00 16.21 C ATOM 2129 O ARG A 150 10.187 -7.346 -9.595 1.00 16.17 O ATOM 2130 CB ARG A 150 10.476 -4.591 -8.078 1.00 16.63 C ATOM 2131 CG ARG A 150 11.438 -3.548 -7.486 1.00 16.66 C ATOM 2132 CD ARG A 150 12.884 -4.001 -7.659 1.00 13.55 C ATOM 2133 NE ARG A 150 13.098 -5.269 -6.981 1.00 15.16 N ATOM 2134 CZ ARG A 150 13.313 -5.436 -5.675 1.00 14.23 C ATOM 2135 NH1 ARG A 150 13.340 -4.385 -4.865 1.00 16.66 N ATOM 2136 NH2 ARG A 150 13.478 -6.669 -5.242 1.00 18.51 N ATOM 2137 HA ARG A 150 11.763 -5.340 -9.559 1.00 0.00 H ATOM 2138 HB2 ARG A 150 9.470 -4.175 -8.028 1.00 0.00 H ATOM 2139 HB3 ARG A 150 10.532 -5.482 -7.452 1.00 0.00 H ATOM 2140 HG2 ARG A 150 11.296 -2.596 -7.998 1.00 0.00 H ATOM 2141 HG3 ARG A 150 11.225 -3.424 -6.424 1.00 0.00 H ATOM 2142 HD2 ARG A 150 13.550 -3.249 -7.236 1.00 0.00 H ATOM 2143 HD3 ARG A 150 13.100 -4.119 -8.721 1.00 0.00 H ATOM 2144 HE ARG A 150 13.082 -6.126 -7.569 1.00 0.00 H ATOM 2145 HH12 ARG A 150 13.508 -4.517 -3.847 1.00 0.00 H ATOM 2146 HH11 ARG A 150 13.193 -3.429 -5.248 1.00 0.00 H ATOM 2147 HH22 ARG A 150 13.648 -6.847 -4.232 1.00 0.00 H ATOM 2148 HH21 ARG A 150 13.438 -7.465 -5.911 1.00 0.00 H ATOM 2149 H ARG A 150 9.843 -3.120 -10.144 1.00 0.00 H ATOM 2150 N ALA A 151 8.819 -5.931 -10.735 1.00 17.34 N ATOM 2151 CA ALA A 151 7.982 -7.017 -11.237 1.00 18.99 C ATOM 2152 C ALA A 151 7.385 -7.873 -10.126 1.00 20.23 C ATOM 2153 O ALA A 151 7.199 -9.079 -10.261 1.00 26.21 O ATOM 2154 CB ALA A 151 8.790 -7.878 -12.197 1.00 20.63 C ATOM 2155 HA ALA A 151 7.140 -6.564 -11.759 1.00 0.00 H ATOM 2156 HB1 ALA A 151 9.132 -7.266 -13.032 1.00 0.00 H ATOM 2157 HB2 ALA A 151 9.651 -8.294 -11.673 1.00 0.00 H ATOM 2158 HB3 ALA A 151 8.164 -8.688 -12.571 1.00 0.00 H ATOM 2159 H ALA A 151 8.601 -4.946 -10.986 1.00 0.00 H ATOM 2160 N PHE A 152 7.059 -7.259 -8.997 1.00 16.07 N ATOM 2161 CA PHE A 152 6.388 -7.954 -7.924 1.00 19.93 C ATOM 2162 C PHE A 152 5.039 -8.517 -8.361 1.00 21.43 C ATOM 2163 O PHE A 152 4.201 -7.748 -8.838 1.00 24.27 O ATOM 2164 CB PHE A 152 6.153 -6.957 -6.792 1.00 17.75 C ATOM 2165 CG PHE A 152 7.418 -6.485 -6.106 1.00 17.70 C ATOM 2166 CD1 PHE A 152 8.499 -7.313 -5.940 1.00 18.34 C ATOM 2167 CD2 PHE A 152 7.501 -5.188 -5.622 1.00 17.62 C ATOM 2168 CE1 PHE A 152 9.639 -6.852 -5.311 1.00 18.87 C ATOM 2169 CE2 PHE A 152 8.632 -4.720 -4.990 1.00 17.88 C ATOM 2170 CZ PHE A 152 9.698 -5.563 -4.819 1.00 17.04 C ATOM 2171 HA PHE A 152 7.014 -8.789 -7.610 1.00 0.00 H ATOM 2172 HB2 PHE A 152 5.642 -6.087 -7.204 1.00 0.00 H ATOM 2173 HB3 PHE A 152 5.516 -7.431 -6.046 1.00 0.00 H ATOM 2174 HD2 PHE A 152 6.648 -4.521 -5.745 1.00 0.00 H ATOM 2175 HE2 PHE A 152 8.678 -3.692 -4.631 1.00 0.00 H ATOM 2176 HZ PHE A 152 10.590 -5.218 -4.296 1.00 0.00 H ATOM 2177 HE1 PHE A 152 10.500 -7.512 -5.202 1.00 0.00 H ATOM 2178 HD1 PHE A 152 8.458 -8.339 -6.306 1.00 0.00 H ATOM 2179 H PHE A 152 7.292 -6.252 -8.881 1.00 0.00 H ATOM 2180 N ASP A 153 4.811 -9.813 -8.187 1.00 24.69 N ATOM 2181 CA ASP A 153 3.524 -10.397 -8.511 1.00 25.56 C ATOM 2182 C ASP A 153 2.403 -9.643 -7.790 1.00 24.59 C ATOM 2183 O ASP A 153 2.591 -9.317 -6.617 1.00 21.36 O ATOM 2184 CB ASP A 153 3.464 -11.871 -8.105 1.00 30.64 C ATOM 2185 CG ASP A 153 4.342 -12.766 -8.961 1.00 31.81 C ATOM 2186 OD1 ASP A 153 4.802 -12.304 -10.029 1.00 32.60 O ATOM 2187 OD2 ASP A 153 4.571 -13.940 -8.588 1.00 41.33 O ATOM 2188 HA ASP A 153 3.393 -10.320 -9.590 1.00 0.00 H ATOM 2189 HB2 ASP A 153 3.788 -11.958 -7.068 1.00 0.00 H ATOM 2190 HB3 ASP A 153 2.433 -12.212 -8.192 1.00 0.00 H ATOM 2191 H ASP A 153 5.568 -10.420 -7.812 1.00 0.00 H ATOM 2192 N LYS A 154 1.287 -9.386 -8.473 1.00 23.52 N ATOM 2193 CA LYS A 154 0.103 -8.858 -7.810 1.00 20.95 C ATOM 2194 C LYS A 154 -0.283 -9.836 -6.706 1.00 19.53 C ATOM 2195 O LYS A 154 -0.101 -11.039 -6.901 1.00 24.15 O ATOM 2196 CB LYS A 154 -1.056 -8.727 -8.784 1.00 28.39 C ATOM 2197 CG LYS A 154 -1.280 -7.365 -9.408 1.00 37.05 C ATOM 2198 CD LYS A 154 -2.345 -7.445 -10.515 1.00 41.34 C ATOM 2199 CE LYS A 154 -2.498 -6.134 -11.273 1.00 40.58 C ATOM 2200 NZ LYS A 154 -3.859 -6.048 -11.901 1.00 36.27 N ATOM 2201 HA LYS A 154 0.322 -7.868 -7.409 1.00 0.00 H ATOM 2202 HB2 LYS A 154 -0.887 -9.436 -9.594 1.00 0.00 H ATOM 2203 HB3 LYS A 154 -1.967 -8.998 -8.250 1.00 0.00 H ATOM 2204 HG2 LYS A 154 -1.614 -6.669 -8.639 1.00 0.00 H ATOM 2205 HG3 LYS A 154 -0.343 -7.009 -9.837 1.00 0.00 H ATOM 2206 HD2 LYS A 154 -2.059 -8.225 -11.220 1.00 0.00 H ATOM 2207 HD3 LYS A 154 -3.303 -7.701 -10.061 1.00 0.00 H ATOM 2208 HE2 LYS A 154 -1.738 -6.079 -12.053 1.00 0.00 H ATOM 2209 HE3 LYS A 154 -2.368 -5.302 -10.581 1.00 0.00 H ATOM 2210 HZ1 LYS A 154 -3.984 -6.840 -12.564 1.00 0.00 H ATOM 2211 HZ2 LYS A 154 -4.586 -6.097 -11.159 1.00 0.00 H ATOM 2212 HZ3 LYS A 154 -3.946 -5.148 -12.414 1.00 0.00 H ATOM 2213 H LYS A 154 1.262 -9.566 -9.497 1.00 0.00 H ATOM 2214 N LEU A 155 -0.793 -9.277 -5.625 1.00 20.95 N ATOM 2215 CA LEU A 155 -1.203 -10.067 -4.483 1.00 20.14 C ATOM 2216 C LEU A 155 -2.591 -10.666 -4.639 1.00 19.58 C ATOM 2217 O LEU A 155 -3.446 -10.211 -5.394 1.00 28.31 O ATOM 2218 CB LEU A 155 -1.229 -9.194 -3.227 1.00 22.43 C ATOM 2219 CG LEU A 155 0.051 -8.370 -2.999 1.00 26.31 C ATOM 2220 CD1 LEU A 155 -0.185 -7.294 -1.955 1.00 29.00 C ATOM 2221 CD2 LEU A 155 1.179 -9.310 -2.599 1.00 29.96 C ATOM 2222 HA LEU A 155 -0.477 -10.877 -4.404 1.00 0.00 H ATOM 2223 HB2 LEU A 155 -2.069 -8.504 -3.308 1.00 0.00 H ATOM 2224 HB3 LEU A 155 -1.376 -9.843 -2.363 1.00 0.00 H ATOM 2225 HG LEU A 155 0.333 -7.860 -3.920 1.00 0.00 H ATOM 2226 HD21 LEU A 155 0.908 -9.831 -1.681 1.00 0.00 H ATOM 2227 HD22 LEU A 155 1.345 -10.036 -3.395 1.00 0.00 H ATOM 2228 HD23 LEU A 155 2.090 -8.734 -2.436 1.00 0.00 H ATOM 2229 HD11 LEU A 155 -0.978 -6.628 -2.294 1.00 0.00 H ATOM 2230 HD12 LEU A 155 -0.478 -7.760 -1.014 1.00 0.00 H ATOM 2231 HD13 LEU A 155 0.732 -6.723 -1.809 1.00 0.00 H ATOM 2232 H LEU A 155 -0.903 -8.243 -5.592 1.00 0.00 H ATOM 2233 N ASN A 156 -2.856 -11.715 -3.877 1.00 20.00 N ATOM 2234 CA ASN A 156 -4.207 -12.245 -3.819 1.00 21.38 C ATOM 2235 C ASN A 156 -4.978 -11.601 -2.674 1.00 17.08 C ATOM 2236 O ASN A 156 -4.418 -11.309 -1.617 1.00 22.32 O ATOM 2237 CB ASN A 156 -4.203 -13.774 -3.651 1.00 26.82 C ATOM 2238 CG ASN A 156 -3.694 -14.363 -4.962 1.00 34.64 C ATOM 2239 OD1 ASN A 156 -4.468 -14.517 -5.902 1.00 46.49 O ATOM 2240 ND2 ASN A 156 -2.401 -14.624 -4.930 1.00 40.04 N ATOM 2241 HA ASN A 156 -4.698 -12.008 -4.763 1.00 0.00 H ATOM 2242 HB2 ASN A 156 -3.544 -14.059 -2.831 1.00 0.00 H ATOM 2243 HB3 ASN A 156 -5.212 -14.131 -3.446 1.00 0.00 H ATOM 2244 HD22 ASN A 156 -1.856 -14.446 -4.062 1.00 0.00 H ATOM 2245 HD21 ASN A 156 -1.927 -15.007 -5.772 1.00 0.00 H ATOM 2246 H ASN A 156 -2.098 -12.159 -3.321 1.00 0.00 H ATOM 2247 N LYS A 157 -6.270 -11.381 -2.919 1.00 19.06 N ATOM 2248 CA LYS A 157 -7.116 -10.782 -1.901 1.00 20.47 C ATOM 2249 C LYS A 157 -7.444 -11.815 -0.831 1.00 15.67 C ATOM 2250 O LYS A 157 -7.615 -12.991 -1.111 1.00 23.50 O ATOM 2251 CB LYS A 157 -8.389 -10.215 -2.541 1.00 26.04 C ATOM 2252 CG LYS A 157 -8.268 -8.733 -2.868 1.00 33.59 C ATOM 2253 CD LYS A 157 -8.806 -8.387 -4.244 1.00 43.41 C ATOM 2254 CE LYS A 157 -8.696 -6.924 -4.623 1.00 46.81 C ATOM 2255 NZ LYS A 157 -7.513 -6.141 -4.116 1.00 52.04 N ATOM 2256 HA LYS A 157 -6.586 -9.957 -1.425 1.00 0.00 H ATOM 2257 HB2 LYS A 157 -8.590 -10.761 -3.463 1.00 0.00 H ATOM 2258 HB3 LYS A 157 -9.220 -10.354 -1.849 1.00 0.00 H ATOM 2259 HG2 LYS A 157 -8.826 -8.165 -2.123 1.00 0.00 H ATOM 2260 HG3 LYS A 157 -7.216 -8.452 -2.825 1.00 0.00 H ATOM 2261 HD2 LYS A 157 -8.253 -8.970 -4.980 1.00 0.00 H ATOM 2262 HD3 LYS A 157 -9.859 -8.667 -4.276 1.00 0.00 H ATOM 2263 HE2 LYS A 157 -9.594 -6.427 -4.255 1.00 0.00 H ATOM 2264 HE3 LYS A 157 -8.674 -6.873 -5.712 1.00 0.00 H ATOM 2265 HZ1 LYS A 157 -7.514 -6.149 -3.076 1.00 0.00 H ATOM 2266 HZ2 LYS A 157 -6.635 -6.575 -4.467 1.00 0.00 H ATOM 2267 HZ3 LYS A 157 -7.576 -5.160 -4.457 1.00 0.00 H ATOM 2268 H LYS A 157 -6.674 -11.639 -3.842 1.00 0.00 H ATOM 2269 N TRP A 158 -7.515 -11.343 0.411 1.00 18.92 N ATOM 2270 CA TRP A 158 -7.869 -12.219 1.508 1.00 20.19 C ATOM 2271 C TRP A 158 -9.128 -13.035 1.237 1.00 20.15 C ATOM 2272 O TRP A 158 -9.133 -14.260 1.444 1.00 20.85 O ATOM 2273 CB TRP A 158 -8.073 -11.374 2.782 1.00 23.78 C ATOM 2274 CG TRP A 158 -8.073 -12.260 3.985 1.00 24.33 C ATOM 2275 CD1 TRP A 158 -9.162 -12.736 4.643 1.00 26.16 C ATOM 2276 CD2 TRP A 158 -6.927 -12.773 4.667 1.00 22.88 C ATOM 2277 NE1 TRP A 158 -8.775 -13.515 5.694 1.00 23.35 N ATOM 2278 CE2 TRP A 158 -7.405 -13.559 5.735 1.00 25.00 C ATOM 2279 CE3 TRP A 158 -5.553 -12.650 4.480 1.00 23.66 C ATOM 2280 CZ2 TRP A 158 -6.566 -14.224 6.622 1.00 24.81 C ATOM 2281 CZ3 TRP A 158 -4.733 -13.322 5.381 1.00 24.16 C ATOM 2282 CH2 TRP A 158 -5.223 -14.097 6.435 1.00 24.25 C ATOM 2283 HA TRP A 158 -7.050 -12.928 1.634 1.00 0.00 H ATOM 2284 OXT TRP A 158 -10.138 -12.435 0.801 1.00 18.08 O ATOM 2285 HB2 TRP A 158 -7.265 -10.648 2.868 1.00 0.00 H ATOM 2286 HB3 TRP A 158 -9.026 -10.849 2.719 1.00 0.00 H ATOM 2287 HE1 TRP A 158 -9.415 -13.997 6.357 1.00 0.00 H ATOM 2288 HD1 TRP A 158 -10.196 -12.526 4.370 1.00 0.00 H ATOM 2289 HZ2 TRP A 158 -6.968 -14.825 7.437 1.00 0.00 H ATOM 2290 HH2 TRP A 158 -4.530 -14.601 7.109 1.00 0.00 H ATOM 2291 HZ3 TRP A 158 -3.653 -13.240 5.258 1.00 0.00 H ATOM 2292 HE3 TRP A 158 -5.139 -12.055 3.666 1.00 0.00 H ATOM 2293 H TRP A 158 -7.315 -10.339 0.595 1.00 0.00 H TER 2294 TRP A 158 HETATM 2295 MG MG A 1 6.204 -1.997 12.872 1.00 13.36 MG HETATM 2296 MG MG A 2 6.583 -3.698 9.879 1.00 13.26 MG HETATM 2297 O HOH 3 5.773 -4.240 8.023 1.00 18.71 O HETATM 2298 O HOH 4 6.734 10.709 3.584 1.00 13.02 O HETATM 2299 O HOH 5 3.183 1.872 15.214 1.00 15.91 O HETATM 2300 O HOH 6 12.272 1.167 1.022 1.00 19.07 O HETATM 2301 O HOH 7 5.044 -0.698 13.983 1.00 14.56 O HETATM 2302 O HOH 8 -12.216 6.315 -0.325 1.00 17.70 O HETATM 2303 O HOH 9 2.846 -2.748 9.010 1.00 22.24 O HETATM 2304 O HOH 10 3.027 6.060 -9.364 1.00 19.19 O HETATM 2305 O HOH 11 7.703 -0.469 12.787 1.00 11.96 O HETATM 2306 O HOH 12 12.817 -1.550 -4.971 1.00 16.47 O HETATM 2307 O HOH 13 -10.964 -3.002 3.018 1.00 16.82 O HETATM 2308 O HOH 14 0.144 5.434 -11.774 1.00 22.12 O HETATM 2309 O HOH 15 10.993 2.704 8.894 1.00 15.24 O HETATM 2310 O HOH 16 -7.789 5.264 18.815 1.00 22.37 O HETATM 2311 O HOH 17 11.050 16.727 4.516 1.00 21.36 O HETATM 2312 O HOH 18 6.082 1.614 15.830 1.00 19.06 O HETATM 2313 O HOH 19 -7.007 0.936 20.581 1.00 17.54 O HETATM 2314 O HOH 20 -10.360 -13.818 10.218 1.00 20.20 O HETATM 2315 O HOH 21 -4.945 1.503 27.835 1.00 17.65 O HETATM 2316 O HOH 22 -6.707 4.631 25.217 1.00 16.34 O HETATM 2317 O HOH 23 10.647 5.616 -10.213 1.00 20.47 O HETATM 2318 O HOH 24 12.791 -7.612 -8.538 1.00 26.48 O HETATM 2319 O HOH 25 -13.529 -3.162 7.241 1.00 25.40 O HETATM 2320 O HOH 26 10.662 -8.309 0.447 1.00 23.52 O HETATM 2321 O HOH 27 0.358 -1.159 2.047 1.00 20.56 O HETATM 2322 O HOH 28 -8.552 -11.384 14.594 1.00 22.95 O HETATM 2323 O HOH 29 9.617 4.708 -17.034 1.00 21.23 O HETATM 2324 O HOH 30 16.059 -1.862 3.302 1.00 25.96 O HETATM 2325 O HOH 31 -12.208 -1.824 5.164 1.00 21.75 O HETATM 2326 O HOH 32 -10.581 -7.107 0.833 1.00 24.03 O HETATM 2327 O HOH 33 -2.188 19.280 7.304 1.00 28.90 O HETATM 2328 O HOH 34 14.354 13.851 10.583 1.00 22.22 O HETATM 2329 O HOH 35 9.943 12.342 -9.922 1.00 19.36 O HETATM 2330 O HOH 36 -6.531 -16.318 15.144 1.00 21.71 O HETATM 2331 O HOH 37 -13.205 -6.667 15.378 1.00 30.85 O HETATM 2332 O HOH 38 13.148 18.916 0.066 1.00 20.57 O HETATM 2333 O HOH 39 13.846 10.222 0.900 1.00 24.40 O HETATM 2334 O HOH 40 0.110 17.118 10.268 1.00 22.32 O HETATM 2335 O HOH 41 -0.478 12.116 -4.098 1.00 65.66 O HETATM 2336 O HOH 42 4.409 16.941 3.309 1.00 33.96 O HETATM 2337 O HOH 43 13.160 1.516 -12.316 1.00 19.32 O HETATM 2338 O HOH 44 14.000 5.445 13.089 1.00 23.19 O HETATM 2339 O HOH 45 5.847 11.823 -1.276 1.00 25.87 O HETATM 2340 O HOH 46 -2.589 8.539 -6.317 1.00 27.53 O HETATM 2341 O HOH 47 13.533 6.226 4.396 1.00 18.85 O HETATM 2342 O HOH 48 3.107 -4.091 6.365 1.00 27.06 O HETATM 2343 O HOH 49 11.294 15.783 8.851 1.00 25.75 O HETATM 2344 O HOH 50 1.137 -3.518 3.758 1.00 18.94 O HETATM 2345 O HOH 51 -11.489 -0.861 18.079 1.00 25.93 O HETATM 2346 O HOH 52 11.867 3.688 1.594 1.00 23.37 O HETATM 2347 O HOH 53 -13.862 6.099 -2.354 1.00 28.54 O HETATM 2348 O HOH 54 -15.190 -7.397 13.718 1.00 20.69 O HETATM 2349 O HOH 55 13.171 16.627 6.272 1.00 26.50 O HETATM 2350 O HOH 56 8.008 -8.624 -2.080 1.00 24.51 O HETATM 2351 O HOH 57 9.327 0.349 10.679 1.00 24.46 O HETATM 2352 O HOH 58 12.595 -1.900 11.722 1.00 18.02 O HETATM 2353 O HOH 59 17.375 7.793 12.161 1.00 31.12 O HETATM 2354 O HOH 60 13.423 -0.233 -7.514 1.00 27.33 O HETATM 2355 O HOH 61 -5.046 7.711 -1.316 1.00 26.34 O HETATM 2356 O HOH 62 2.558 11.681 -4.415 1.00 25.52 O HETATM 2357 O HOH 63 12.861 -6.994 5.785 1.00 35.15 O HETATM 2358 O HOH 64 -4.877 7.123 -11.355 1.00 21.23 O HETATM 2359 O HOH 65 -11.918 -0.836 1.870 1.00 31.71 O HETATM 2360 O HOH 66 -11.358 -15.668 2.240 1.00 32.90 O HETATM 2361 O HOH 67 1.716 10.717 2.009 1.00 26.74 O HETATM 2362 O HOH 68 8.641 11.852 20.512 1.00 20.44 O HETATM 2363 O HOH 69 -8.990 -17.385 8.433 1.00 28.40 O HETATM 2364 O HOH 70 -18.879 2.644 17.485 1.00 30.61 O HETATM 2365 O HOH 71 13.950 8.779 5.623 1.00 26.31 O HETATM 2366 O HOH 72 16.906 11.772 4.304 1.00 34.39 O HETATM 2367 O HOH 73 10.684 6.156 -13.375 1.00 33.88 O HETATM 2368 O HOH 74 14.658 0.826 0.142 1.00 29.79 O HETATM 2369 O HOH 75 13.442 14.774 -0.367 1.00 26.88 O HETATM 2370 O HOH 76 13.233 6.187 1.443 1.00 24.56 O HETATM 2371 O HOH 77 -1.612 7.497 -14.387 1.00 30.92 O HETATM 2372 O HOH 78 13.127 10.480 18.038 1.00 26.91 O HETATM 2373 O HOH 79 -11.952 -13.260 -0.723 1.00 29.38 O HETATM 2374 O HOH 80 10.476 15.900 -2.310 1.00 51.59 O HETATM 2375 O HOH 81 -12.326 7.766 10.163 1.00 32.30 O HETATM 2376 O HOH 82 -7.563 -11.504 -5.679 1.00 29.15 O HETATM 2377 O HOH 83 -8.640 3.009 20.235 1.00 31.36 O HETATM 2378 O HOH 84 -0.162 15.426 2.510 1.00 24.19 O HETATM 2379 O HOH 85 -9.446 -13.687 -2.815 1.00 25.12 O HETATM 2380 O HOH 86 20.388 14.028 15.160 1.00 45.59 O HETATM 2381 O HOH 87 10.111 12.107 18.169 1.00 73.31 O HETATM 2382 O HOH 88 -9.446 15.420 10.393 1.00 45.34 O HETATM 2383 O HOH 89 -2.930 -15.843 8.910 1.00 46.70 O HETATM 2384 O HOH 90 14.138 1.453 -5.433 1.00 31.52 O HETATM 2385 O HOH 91 16.721 13.697 7.196 1.00 37.41 O HETATM 2386 O HOH 92 -2.447 -19.163 0.678 1.00 37.35 O HETATM 2387 O HOH 93 -3.615 13.431 20.254 1.00 39.38 O HETATM 2388 O HOH 94 -12.868 12.148 13.209 1.00 54.55 O HETATM 2389 O HOH 95 -7.798 18.668 12.086 1.00 37.03 O HETATM 2390 O HOH 96 6.099 2.410 21.518 1.00 38.16 O HETATM 2391 O HOH 97 14.621 14.802 8.414 1.00 41.06 O HETATM 2392 O HOH 98 -2.090 -6.798 -6.160 1.00 30.14 O HETATM 2393 O HOH 99 -10.311 15.756 16.993 1.00 57.21 O HETATM 2394 O HOH 100 14.610 16.968 0.904 1.00 37.89 O HETATM 2395 O HOH 101 -14.390 -0.857 6.946 1.00 33.38 O HETATM 2396 O HOH 102 18.766 11.398 15.332 1.00 35.63 O HETATM 2397 O HOH 103 7.373 -12.214 7.506 1.00 44.22 O HETATM 2398 O HOH 104 -5.674 17.971 8.313 1.00 41.31 O HETATM 2399 O HOH 105 -12.730 9.788 1.830 1.00 29.21 O HETATM 2400 O HOH 106 6.478 -11.366 -6.620 1.00 45.40 O HETATM 2401 O HOH 107 -8.484 -3.263 -6.363 1.00 26.38 O HETATM 2402 O HOH 108 7.896 -0.085 19.578 1.00 34.12 O HETATM 2403 O HOH 109 5.248 17.798 10.229 1.00 35.56 O HETATM 2404 O HOH 110 15.301 -5.724 2.148 1.00 35.68 O HETATM 2405 O HOH 111 -7.850 6.449 -3.838 1.00 33.85 O HETATM 2406 O HOH 112 12.471 1.241 -9.650 1.00 17.65 O HETATM 2407 O HOH 113 7.456 13.245 -10.610 1.00 20.83 O HETATM 2408 O HOH 114 12.419 15.458 11.459 1.00 26.14 O HETATM 2409 O HOH 115 22.378 13.254 16.467 1.00 26.76 O HETATM 2410 O HOH 116 15.690 6.526 1.710 1.00 35.46 O HETATM 2411 O HOH 117 8.845 18.436 4.720 1.00 30.58 O HETATM 2412 O HOH 118 13.134 1.820 10.542 1.00 29.05 O HETATM 2413 O HOH 119 -6.185 -19.484 8.889 1.00 25.20 O HETATM 2414 O HOH 120 -10.259 -15.084 7.779 1.00 29.85 O HETATM 2415 O HOH 121 10.610 11.469 15.897 1.00 31.25 O HETATM 2416 O HOH 122 5.873 -1.658 17.197 1.00 28.00 O HETATM 2417 O HOH 123 6.021 -6.448 13.910 1.00 34.24 O HETATM 2418 O HOH 124 5.820 -9.153 -0.909 1.00 38.20 O HETATM 2419 O HOH 125 14.824 -0.768 10.787 1.00 34.74 O HETATM 2420 O HOH 126 4.482 -5.852 -10.909 1.00 29.38 O HETATM 2421 O HOH 127 6.945 13.662 -4.057 1.00 30.26 O HETATM 2422 O HOH 128 12.671 -7.103 2.173 1.00 33.38 O HETATM 2423 O HOH 129 15.115 9.363 3.239 1.00 25.89 O HETATM 2424 O HOH 130 -7.776 4.057 27.672 1.00 30.85 O HETATM 2425 O HOH 131 -2.976 -3.132 -6.011 1.00 42.27 O HETATM 2426 O HOH 132 -3.201 -21.751 1.715 1.00 48.07 O HETATM 2427 O HOH 133 -7.612 -18.656 15.586 1.00 45.39 O HETATM 2428 O HOH 134 3.609 -6.870 9.567 1.00 35.61 O HETATM 2429 O HOH 135 -13.050 -13.708 11.315 1.00 28.78 O HETATM 2430 O HOH 136 -14.969 9.612 -0.103 1.00 34.39 O HETATM 2431 O HOH 137 5.625 -7.723 11.923 1.00 37.39 O HETATM 2432 O HOH 138 4.170 8.096 -9.852 1.00 33.82 O HETATM 2433 O HOH 139 -12.785 -10.973 -1.760 1.00 28.56 O HETATM 2434 O HOH 140 20.950 12.046 18.806 1.00 41.04 O HETATM 2435 O HOH 141 -7.657 8.431 -0.654 1.00 39.37 O HETATM 2436 O HOH 142 11.460 -10.413 -0.296 1.00 53.08 O HETATM 2437 O HOH 143 16.483 7.057 9.548 1.00 39.77 O HETATM 2438 O HOH 144 -1.452 11.090 -1.428 1.00 40.48 O HETATM 2439 O HOH 145 -9.648 17.262 7.492 1.00 44.80 O HETATM 2440 O HOH 146 17.710 -2.946 4.824 1.00 41.38 O HETATM 2441 O HOH 147 7.596 19.563 8.564 1.00 38.76 O HETATM 2442 O HOH 148 14.700 13.613 -6.660 1.00 37.98 O HETATM 2443 O HOH 149 9.954 13.490 22.309 1.00 36.25 O HETATM 2444 O HOH 150 -0.676 14.005 -0.068 1.00 45.48 O HETATM 2445 O HOH 151 22.361 10.911 15.979 1.00 38.55 O HETATM 2446 O HOH 152 -3.111 -17.309 15.020 1.00 33.35 O HETATM 2447 O HOH 153 -10.809 14.537 13.151 1.00 55.48 O HETATM 2448 O HOH 154 17.229 13.801 14.521 1.00 47.96 O HETATM 2449 O HOH 155 2.754 10.373 -10.690 1.00 33.84 O HETATM 2450 O HOH 156 5.456 12.524 21.620 1.00 33.03 O HETATM 2451 O HOH 157 9.246 14.516 12.549 1.00 46.09 O HETATM 2452 O HOH 158 -12.881 0.973 19.105 1.00 36.99 O HETATM 2453 O HOH 159 6.554 18.060 2.989 1.00 31.07 O HETATM 2454 O HOH 160 -7.877 -0.828 -7.816 1.00 33.87 O HETATM 2455 O HOH 161 2.478 17.222 1.980 1.00 49.13 O HETATM 2456 O HOH 162 15.317 13.643 17.125 1.00 43.50 O HETATM 2457 O HOH 163 -8.690 7.450 20.186 1.00 33.51 O HETATM 2458 O HOH 164 -9.501 3.919 -2.747 1.00 37.48 O HETATM 2459 O HOH 165 0.342 10.968 -12.088 1.00 38.07 O HETATM 2460 O HOH 166 0.079 -16.676 0.462 1.00 31.99 O HETATM 2461 O HOH 167 -0.946 -12.785 -2.476 1.00 38.67 O HETATM 2462 O HOH 168 -0.912 19.837 9.946 1.00 46.75 O HETATM 2463 O HOH 169 -7.525 -7.695 18.625 1.00 39.33 O HETATM 2464 O HOH 170 -11.171 -0.181 20.639 1.00 86.42 O HETATM 2465 O HOH 171 15.904 2.517 9.833 1.00 50.18 O HETATM 2466 O HOH 172 9.881 14.545 -7.900 1.00 57.26 O HETATM 2467 O HOH 173 7.556 16.792 14.767 1.00 50.68 O HETATM 2468 O HOH 174 1.691 13.284 20.854 1.00 41.02 O HETATM 2469 O HOH 175 -9.833 7.411 24.859 1.00150.44 O HETATM 2470 O HOH 176 6.053 5.499 -14.010 1.00 27.15 O HETATM 2471 O HOH 177 15.967 -0.036 13.192 1.00 40.78 O HETATM 2472 O HOH 178 5.221 11.836 -12.082 1.00 39.04 O HETATM 2473 O HOH 179 -7.121 8.455 22.269 1.00 44.20 O HETATM 2474 O HOH 180 17.914 13.821 10.865 1.00 48.41 O HETATM 2475 O HOH 181 5.794 10.711 1.038 1.00 35.75 O HETATM 2476 O HOH 182 11.950 -6.562 10.468 1.00 45.06 O HETATM 2477 O HOH 183 -4.932 -8.440 23.529 1.00 36.24 O HETATM 2478 O HOH 184 -5.774 -0.986 28.057 1.00 36.81 O HETATM 2479 O HOH 185 8.960 16.051 9.451 1.00 36.44 O HETATM 2480 O HOH 186 -8.657 -19.711 12.798 1.00 33.13 O HETATM 2481 O HOH 187 -11.732 14.119 3.162 1.00 43.96 O HETATM 2482 O HOH 188 8.642 16.643 11.842 1.00 44.11 O HETATM 2483 O HOH 189 -13.566 5.099 14.257 1.00 44.16 O HETATM 2484 O HOH 190 9.185 -7.623 12.235 1.00 84.10 O HETATM 2485 O HOH 191 -14.109 14.749 6.486 1.00 32.05 O HETATM 2486 O HOH 192 -9.721 -17.777 5.116 1.00 60.67 O HETATM 2487 O HOH 193 -10.464 11.779 -0.143 1.00 58.06 O HETATM 2488 O HOH 194 1.963 13.078 23.584 1.00 53.54 O HETATM 2489 O HOH 195 -4.260 17.151 3.189 1.00 55.61 O HETATM 2490 O HOH 196 -13.387 -15.865 8.066 1.00 37.45 O HETATM 2491 O HOH 197 -12.738 17.385 7.253 1.00 60.58 O HETATM 2492 O HOH 198 -12.583 12.497 1.576 1.00 44.07 O HETATM 2493 O HOH 199 -9.506 19.057 17.653 1.00 55.83 O HETATM 2494 O HOH 200 11.557 17.471 2.347 1.00 40.15 O HETATM 2495 O HOH 201 0.764 -13.054 -5.719 1.00 38.65 O HETATM 2496 O HOH 202 0.325 19.737 15.112 1.00 76.18 O HETATM 2497 O HOH 203 11.323 15.258 16.117 1.00 40.57 O HETATM 2498 O HOH 204 -11.407 -12.500 13.192 1.00 34.52 O HETATM 2499 O HOH 205 -1.597 -13.037 -8.333 1.00 57.89 O HETATM 2500 O HOH 206 -8.955 -16.093 -0.624 1.00 41.42 O HETATM 2501 O HOH 207 -15.541 12.121 -0.579 1.00135.33 O HETATM 2502 O HOH 208 -16.925 5.579 15.245 1.00 60.66 O HETATM 2503 O HOH 209 19.458 8.939 11.933 1.00126.70 O HETATM 2504 O HOH 210 -7.482 -1.656 25.557 1.00 44.20 O HETATM 2505 O HOH 211 -10.762 11.611 19.491 1.00 50.85 O HETATM 2506 O HOH 212 -8.186 6.029 23.009 1.00 40.68 O HETATM 2507 O HOH 213 11.991 16.640 13.996 1.00 85.96 O HETATM 2508 O HOH 214 4.617 13.994 -4.180 1.00 46.32 O HETATM 2509 O HOH 215 -10.805 4.078 19.819 1.00 46.47 O HETATM 2510 O HOH 216 9.044 13.455 14.741 1.00 34.77 O HETATM 2511 O HOH 217 -10.434 15.382 4.736 1.00 55.32 O HETATM 2512 O HOH 218 18.867 13.596 8.433 1.00 63.61 O HETATM 2513 O HOH 219 8.349 -2.439 19.209 1.00 79.91 O HETATM 2514 O HOH 220 -10.095 -3.240 -4.401 1.00 49.08 O HETATM 2515 O HOH 221 -13.375 15.929 4.595 1.00 58.93 O HETATM 2516 O HOH 222 -8.878 2.254 23.793 1.00 56.31 O HETATM 2517 O HOH 223 -9.394 -5.547 20.786 1.00 50.20 O HETATM 2518 O HOH 224 -0.520 14.759 -2.275 1.00 75.75 O HETATM 2519 O HOH 225 0.902 -11.011 -10.701 1.00 58.16 O HETATM 2520 O HOH 226 4.701 -9.769 -11.811 1.00 86.50 O HETATM 2521 PG APC A 227 9.788 -3.571 9.922 1.00 0.20 P HETATM 2522 O1G APC A 227 10.184 -2.219 10.370 1.00 -0.59 O HETATM 2523 O2G APC A 227 10.867 -4.321 9.141 1.00 -0.59 O HETATM 2524 O3G APC A 227 8.491 -3.532 9.135 1.00 -0.59 O HETATM 2525 O3B APC A 227 9.540 -4.517 11.226 1.00 -0.18 O HETATM 2526 PB APC A 227 8.487 -4.159 12.379 1.00 0.21 P HETATM 2527 O1B APC A 227 7.373 -3.324 11.795 1.00 -0.56 O HETATM 2528 O2B APC A 227 8.128 -5.427 13.101 1.00 -0.56 O HETATM 2529 C3A APC A 227 9.407 -3.174 13.562 1.00 0.14 C HETATM 2530 PA APC A 227 8.445 -2.769 15.015 1.00 0.14 P HETATM 2531 O1A APC A 227 6.987 -2.615 14.658 1.00 -0.62 O HETATM 2532 O2A APC A 227 8.738 -3.735 16.120 1.00 -0.62 O HETATM 2533 O5 APC A 227 8.834 -1.288 15.446 1.00 -0.28 O HETATM 2534 C5 APC A 227 10.049 -0.886 16.161 1.00 0.11 C HETATM 2535 C4 APC A 227 10.179 0.609 16.126 1.00 0.12 C HETATM 2536 O4 APC A 227 10.193 1.064 14.759 1.00 -0.34 O HETATM 2537 C1 APC A 227 10.265 2.507 14.929 1.00 0.20 C HETATM 2538 C2 APC A 227 9.359 2.789 16.137 1.00 0.14 C HETATM 2539 C3 APC A 227 9.231 1.464 16.861 1.00 0.12 C HETATM 2540 O3 APC A 227 9.476 1.558 18.233 1.00 -0.39 O HETATM 2541 H7 APC A 227 9.427 0.693 18.622 1.00 0.21 H HETATM 2542 H6 APC A 227 8.211 1.071 16.737 1.00 0.06 H HETATM 2543 O2 APC A 227 10.024 3.789 16.966 1.00 -0.38 O HETATM 2544 H9 APC A 227 10.088 4.606 16.485 1.00 0.21 H HETATM 2545 H8 APC A 227 8.371 3.155 15.821 1.00 0.07 H HETATM 2546 N9 APC A 227 9.851 3.054 13.642 1.00 -0.19 N HETATM 2547 C8 APC A 227 10.774 3.734 12.796 1.00 0.11 C HETATM 2548 N7 APC A 227 10.177 4.145 11.679 1.00 -0.30 N HETATM 2549 C5 APC A 227 8.841 3.706 11.833 1.00 0.10 C HETATM 2550 C6 APC A 227 7.768 3.873 10.940 1.00 0.13 C HETATM 2551 N6 APC A 227 7.896 4.490 9.803 1.00 -0.32 N HETATM 2552 H12 APC A 227 7.084 4.591 9.177 1.00 0.18 H HETATM 2553 H13 APC A 227 8.809 4.878 9.528 1.00 0.18 H HETATM 2554 N1 APC A 227 6.528 3.336 11.338 1.00 -0.27 N HETATM 2555 C2 APC A 227 6.415 2.718 12.488 1.00 0.05 C HETATM 2556 N3 APC A 227 7.435 2.498 13.456 1.00 -0.27 N HETATM 2557 C4 APC A 227 8.651 3.048 13.020 1.00 0.16 C HETATM 2558 H14 APC A 227 5.432 2.330 12.730 1.00 0.10 H HETATM 2559 H11 APC A 227 11.825 3.896 13.031 1.00 0.13 H HETATM 2560 H10 APC A 227 11.288 2.844 15.154 1.00 0.10 H HETATM 2561 H5 APC A 227 11.167 0.821 16.561 1.00 0.07 H HETATM 2562 H3 APC A 227 10.926 -1.342 15.678 1.00 0.07 H HETATM 2563 H4 APC A 227 9.988 -1.224 17.206 1.00 0.07 H HETATM 2564 H1 APC A 227 9.720 -2.239 13.075 1.00 0.07 H HETATM 2565 H2 APC A 227 10.297 -3.740 13.875 1.00 0.07 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1161 1162 1184 1185 1186 CONECT 1184 1161 CONECT 1185 1161 CONECT 1186 1161 CONECT 1226 1225 2295 CONECT 1227 1225 2296 CONECT 1257 1256 2295 CONECT 1258 1256 2296 CONECT 2295 1226 1257 CONECT 2296 1227 1258 CONECT 2521 2522 2523 2524 2525 CONECT 2522 2521 CONECT 2523 2521 CONECT 2524 2521 CONECT 2525 2521 2526 CONECT 2526 2525 2527 2528 2529 CONECT 2527 2526 CONECT 2528 2526 CONECT 2529 2526 2530 2564 2565 CONECT 2530 2529 2531 2532 2533 CONECT 2531 2530 CONECT 2532 2530 CONECT 2533 2530 2534 CONECT 2534 2533 2535 2562 2563 CONECT 2535 2534 2536 2539 2561 CONECT 2536 2535 2537 CONECT 2537 2536 2538 2546 2560 CONECT 2538 2537 2539 2543 2545 CONECT 2539 2535 2538 2540 2542 CONECT 2540 2539 2541 CONECT 2541 2540 CONECT 2542 2539 CONECT 2543 2538 2544 CONECT 2544 2543 CONECT 2545 2538 CONECT 2546 2537 2547 2557 CONECT 2547 2546 2548 2559 CONECT 2548 2547 2549 CONECT 2549 2548 2550 2557 CONECT 2550 2549 2551 2554 CONECT 2551 2550 2552 2553 CONECT 2552 2551 CONECT 2553 2551 CONECT 2554 2550 2555 CONECT 2555 2554 2556 2558 CONECT 2556 2555 2557 CONECT 2557 2546 2549 2556 CONECT 2558 2555 CONECT 2559 2547 CONECT 2560 2537 CONECT 2561 2535 CONECT 2562 2534 CONECT 2563 2534 CONECT 2564 2529 CONECT 2565 2529 MASTER 0 0 0 0 0 0 0 0 2562 3 59 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1ru1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ex8
RCSB PDB
PDBbind
158aa, >1EX8_1|Chain... at 100%
1ru2
RCSB PDB
PDBbind
152aa, >1RU2_1|Chain... at 99%
1tmm
RCSB PDB
PDBbind
158aa, >1TMM_1|Chains... at 99%
3ud5
RCSB PDB
PDBbind
158aa, >3UD5_1|Chain... at 100%
3udv
RCSB PDB
PDBbind
158aa, >3UDV_1|Chain... at 100%
4f7v
RCSB PDB
PDBbind
158aa, >4F7V_1|Chain... at 100%
4m5g
RCSB PDB
PDBbind
162aa, >4M5G_1|Chain... *
4m5h
RCSB PDB
PDBbind
162aa, >4M5H_1|Chain... at 100%
4m5i
RCSB PDB
PDBbind
162aa, >4M5I_1|Chain... at 100%
4m5j
RCSB PDB
PDBbind
162aa, >4M5J_1|Chain... at 100%
4m5k
RCSB PDB
PDBbind
162aa, >4M5K_1|Chain... at 100%
4m5l
RCSB PDB
PDBbind
162aa, >4M5L_1|Chain... at 100%
4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
5etk
RCSB PDB
PDBbind
162aa, >5ETK_1|Chain... at 99%
5etl
RCSB PDB
PDBbind
162aa, >5ETL_1|Chains... at 99%
5etm
RCSB PDB
PDBbind
162aa, >5ETM_1|Chain... at 99%
5etn
RCSB PDB
PDBbind
162aa, >5ETN_1|Chain... at 99%
5eto
RCSB PDB
PDBbind
162aa, >5ETO_1|Chain... at 99%
5etp
RCSB PDB
PDBbind
162aa, >5ETP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ru2
RCSB PDB
PDBbind
APC
1s26
RCSB PDB
PDBbind
APC
1tmm
RCSB PDB
PDBbind
APC
3nba
RCSB PDB
PDBbind
APC
Entry Information
PDB ID
1ru1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
6-hydroxymethyl-7,8-dihydropterin pyrophosphoki
Ligand Name
APC
EC.Number
E.C.2.7.6.3
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v43 pp. 1469-77, 2004
Ligand Properties
Formula
C
1
1
H
2
1
N
5
O
1
2
P
3
Molecular Weight
508.232
Exact Mass
508.040
No. of atoms
52
No. of bonds
54
Polar Surface Area
320.15
LOGP Value
-6.21 (
Computed with XLOGP3
)
-2.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(CP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C11H24N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-25,29-31H,1,4H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
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