Browse entries in the PDBbind-CN Database
HEADER 1PUN_COMPLEX COMPND 1PUN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 MET LYS LYS LEU GLN ILE ALA VAL GLY ILE ILE ARG ASN SEQRES 2 A 129 GLU ASN ASN GLU ILE PHE ILE THR ARG ARG ALA ALA ASP SEQRES 3 A 129 ALA HIS MET ALA ASN LYS LEU GLU PHE PRO GLY GLY LYS SEQRES 4 A 129 ILE GLU MET GLY GLU THR PRO GLU GLN ALA VAL VAL ARG SEQRES 5 A 129 GLU LEU GLN GLU GLU VAL GLY ILE THR PRO GLN HIS PHE SEQRES 6 A 129 SER LEU PHE GLU LYS LEU GLU TYR GLU PHE PRO ASP ARG SEQRES 7 A 129 HIS ILE THR LEU TRP PHE TRP LEU VAL GLU ARG TRP GLU SEQRES 8 A 129 GLY GLU PRO TRP GLY LYS GLU GLY GLN PRO GLY GLU TRP SEQRES 9 A 129 MET SER LEU VAL GLY LEU ASN ALA ASP ASP PHE PRO PRO SEQRES 10 A 129 ALA ASN GLU PRO VAL ILE ALA LYS LEU LYS ARG LEU HET MG A 1 1 HET UNN A 133 36 ATOM 1 N MET A 1 -5.604 -25.645 -0.116 1.00 0.00 N ATOM 2 CA MET A 1 -6.322 -24.502 0.506 1.00 0.00 C ATOM 3 C MET A 1 -6.293 -23.274 -0.399 1.00 0.00 C ATOM 4 O MET A 1 -5.617 -23.265 -1.428 1.00 0.00 O ATOM 5 CB MET A 1 -5.661 -24.184 1.849 1.00 0.00 C ATOM 6 CG MET A 1 -6.208 -25.003 3.006 1.00 0.00 C ATOM 7 SD MET A 1 -5.147 -24.944 4.462 1.00 0.00 S ATOM 8 CE MET A 1 -3.651 -25.692 3.821 1.00 0.00 C ATOM 9 HA MET A 1 -7.367 -24.774 0.656 1.00 0.00 H ATOM 10 HB2 MET A 1 -4.592 -24.380 1.762 1.00 0.00 H ATOM 11 HB3 MET A 1 -5.818 -23.128 2.069 1.00 0.00 H ATOM 12 HG2 MET A 1 -6.303 -26.040 2.685 1.00 0.00 H ATOM 13 HG3 MET A 1 -7.191 -24.615 3.274 1.00 0.00 H ATOM 14 HE1 MET A 1 -3.869 -26.704 3.481 1.00 0.00 H ATOM 15 HE2 MET A 1 -3.279 -25.099 2.986 1.00 0.00 H ATOM 16 HE3 MET A 1 -2.898 -25.726 4.608 1.00 0.00 H ATOM 17 HN3 MET A 1 -4.613 -25.380 -0.285 1.00 0.00 H ATOM 18 HN2 MET A 1 -6.058 -25.887 -1.020 1.00 0.00 H ATOM 19 HN1 MET A 1 -5.641 -26.465 0.523 1.00 0.00 H ATOM 20 N LYS A 2 -7.031 -22.239 -0.009 1.00 0.00 N ATOM 21 CA LYS A 2 -7.090 -21.006 -0.786 1.00 0.00 C ATOM 22 C LYS A 2 -6.377 -19.869 -0.061 1.00 0.00 C ATOM 23 O LYS A 2 -6.478 -19.738 1.159 1.00 0.00 O ATOM 24 CB LYS A 2 -8.545 -20.619 -1.058 1.00 0.00 C ATOM 25 CG LYS A 2 -8.704 -19.593 -2.169 1.00 0.00 C ATOM 26 CD LYS A 2 -8.970 -20.258 -3.510 1.00 0.00 C ATOM 27 CE LYS A 2 -8.140 -19.631 -4.619 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.930 -20.441 -4.933 1.00 0.00 N ATOM 29 HA LYS A 2 -6.583 -21.181 -1.735 1.00 0.00 H ATOM 30 HB2 LYS A 2 -9.095 -21.518 -1.337 1.00 0.00 H ATOM 31 HB3 LYS A 2 -8.969 -20.205 -0.143 1.00 0.00 H ATOM 32 HG2 LYS A 2 -9.540 -18.936 -1.927 1.00 0.00 H ATOM 33 HG3 LYS A 2 -7.790 -19.004 -2.241 1.00 0.00 H ATOM 34 HD2 LYS A 2 -8.721 -21.317 -3.436 1.00 0.00 H ATOM 35 HD3 LYS A 2 -10.027 -20.151 -3.755 1.00 0.00 H ATOM 36 HE2 LYS A 2 -7.826 -18.636 -4.305 1.00 0.00 H ATOM 37 HE3 LYS A 2 -8.753 -19.551 -5.516 1.00 0.00 H ATOM 38 HZ1 LYS A 2 -6.335 -20.517 -4.083 1.00 0.00 H ATOM 39 HZ2 LYS A 2 -7.221 -21.391 -5.240 1.00 0.00 H ATOM 40 HZ3 LYS A 2 -6.393 -19.978 -5.694 1.00 0.00 H ATOM 41 H LYS A 2 -7.580 -22.310 0.872 1.00 0.00 H ATOM 42 N LYS A 3 -5.658 -19.050 -0.820 1.00 0.00 N ATOM 43 CA LYS A 3 -4.929 -17.921 -0.254 1.00 0.00 C ATOM 44 C LYS A 3 -5.113 -16.674 -1.111 1.00 0.00 C ATOM 45 O LYS A 3 -5.433 -16.767 -2.296 1.00 0.00 O ATOM 46 CB LYS A 3 -3.441 -18.256 -0.134 1.00 0.00 C ATOM 47 CG LYS A 3 -2.764 -18.504 -1.472 1.00 0.00 C ATOM 48 CD LYS A 3 -1.527 -19.376 -1.319 1.00 0.00 C ATOM 49 CE LYS A 3 -1.515 -20.508 -2.333 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.230 -21.260 -2.310 1.00 0.00 N ATOM 51 HA LYS A 3 -5.330 -17.721 0.740 1.00 0.00 H ATOM 52 HB2 LYS A 3 -2.938 -17.423 0.358 1.00 0.00 H ATOM 53 HB3 LYS A 3 -3.337 -19.153 0.477 1.00 0.00 H ATOM 54 HG2 LYS A 3 -3.468 -19.002 -2.138 1.00 0.00 H ATOM 55 HG3 LYS A 3 -2.472 -17.547 -1.904 1.00 0.00 H ATOM 56 HD2 LYS A 3 -0.639 -18.761 -1.464 1.00 0.00 H ATOM 57 HD3 LYS A 3 -1.514 -19.799 -0.315 1.00 0.00 H ATOM 58 HE2 LYS A 3 -1.662 -20.091 -3.329 1.00 0.00 H ATOM 59 HE3 LYS A 3 -2.330 -21.195 -2.104 1.00 0.00 H ATOM 60 HZ1 LYS A 3 0.553 -20.613 -2.534 1.00 0.00 H ATOM 61 HZ2 LYS A 3 -0.085 -21.667 -1.364 1.00 0.00 H ATOM 62 HZ3 LYS A 3 -0.264 -22.023 -3.016 1.00 0.00 H ATOM 63 H LYS A 3 -5.614 -19.218 -1.845 1.00 0.00 H ATOM 64 N LEU A 4 -4.901 -15.507 -0.511 1.00 0.00 N ATOM 65 CA LEU A 4 -5.034 -14.243 -1.227 1.00 0.00 C ATOM 66 C LEU A 4 -4.030 -13.222 -0.697 1.00 0.00 C ATOM 67 O LEU A 4 -4.035 -12.899 0.491 1.00 0.00 O ATOM 68 CB LEU A 4 -6.461 -13.706 -1.091 1.00 0.00 C ATOM 69 CG LEU A 4 -6.844 -13.222 0.308 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.518 -11.745 0.469 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.320 -13.476 0.575 1.00 0.00 C ATOM 72 HA LEU A 4 -4.825 -14.417 -2.282 1.00 0.00 H ATOM 73 HB2 LEU A 4 -6.574 -12.869 -1.780 1.00 0.00 H ATOM 74 HB3 LEU A 4 -7.150 -14.503 -1.373 1.00 0.00 H ATOM 75 HG LEU A 4 -6.262 -13.784 1.038 1.00 0.00 H ATOM 76 HD21 LEU A 4 -8.919 -12.940 -0.162 1.00 0.00 H ATOM 77 HD22 LEU A 4 -8.523 -14.545 0.502 1.00 0.00 H ATOM 78 HD23 LEU A 4 -8.573 -13.125 1.575 1.00 0.00 H ATOM 79 HD11 LEU A 4 -5.449 -11.592 0.321 1.00 0.00 H ATOM 80 HD12 LEU A 4 -7.074 -11.169 -0.270 1.00 0.00 H ATOM 81 HD13 LEU A 4 -6.798 -11.420 1.471 1.00 0.00 H ATOM 82 H LEU A 4 -4.634 -15.495 0.494 1.00 0.00 H ATOM 83 N GLN A 5 -3.150 -12.734 -1.569 1.00 0.00 N ATOM 84 CA GLN A 5 -2.127 -11.778 -1.168 1.00 0.00 C ATOM 85 C GLN A 5 -2.474 -10.348 -1.571 1.00 0.00 C ATOM 86 O GLN A 5 -3.211 -10.110 -2.527 1.00 0.00 O ATOM 87 CB GLN A 5 -0.796 -12.159 -1.806 1.00 0.00 C ATOM 88 CG GLN A 5 -0.412 -13.605 -1.565 1.00 0.00 C ATOM 89 CD GLN A 5 1.041 -13.889 -1.889 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.860 -12.973 -1.979 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.370 -15.163 -2.067 1.00 0.00 N ATOM 92 HA GLN A 5 -2.063 -11.813 -0.080 1.00 0.00 H ATOM 93 HB2 GLN A 5 -0.867 -11.993 -2.881 1.00 0.00 H ATOM 94 HB3 GLN A 5 -0.017 -11.519 -1.391 1.00 0.00 H ATOM 95 HG2 GLN A 5 -0.588 -13.842 -0.516 1.00 0.00 H ATOM 96 HG3 GLN A 5 -1.039 -14.241 -2.190 1.00 0.00 H ATOM 97 HE22 GLN A 5 0.645 -15.904 -1.981 1.00 0.00 H ATOM 98 HE21 GLN A 5 2.352 -15.420 -2.292 1.00 0.00 H ATOM 99 H GLN A 5 -3.194 -13.043 -2.561 1.00 0.00 H ATOM 100 N ILE A 6 -1.912 -9.406 -0.828 1.00 0.00 N ATOM 101 CA ILE A 6 -2.100 -7.984 -1.060 1.00 0.00 C ATOM 102 C ILE A 6 -0.811 -7.263 -0.675 1.00 0.00 C ATOM 103 O ILE A 6 -0.205 -7.596 0.343 1.00 0.00 O ATOM 104 CB ILE A 6 -3.278 -7.423 -0.235 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.602 -8.019 -0.721 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.314 -5.905 -0.317 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.154 -9.089 0.194 1.00 0.00 C ATOM 108 HA ILE A 6 -2.334 -7.825 -2.113 1.00 0.00 H ATOM 109 HB ILE A 6 -3.134 -7.706 0.808 1.00 0.00 H ATOM 110 HG12 ILE A 6 -5.335 -7.216 -0.795 1.00 0.00 H ATOM 111 HG13 ILE A 6 -4.443 -8.456 -1.707 1.00 0.00 H ATOM 112 HD11 ILE A 6 -4.436 -9.906 0.270 1.00 0.00 H ATOM 113 HD12 ILE A 6 -5.330 -8.665 1.183 1.00 0.00 H ATOM 114 HD13 ILE A 6 -6.092 -9.465 -0.214 1.00 0.00 H ATOM 115 HG21 ILE A 6 -2.382 -5.499 0.076 1.00 0.00 H ATOM 116 HG22 ILE A 6 -3.434 -5.601 -1.357 1.00 0.00 H ATOM 117 HG23 ILE A 6 -4.152 -5.530 0.271 1.00 0.00 H ATOM 118 H ILE A 6 -1.304 -9.700 -0.037 1.00 0.00 H ATOM 119 N ALA A 7 -0.400 -6.257 -1.439 1.00 0.00 N ATOM 120 CA ALA A 7 0.795 -5.496 -1.098 1.00 0.00 C ATOM 121 C ALA A 7 0.429 -4.027 -1.067 1.00 0.00 C ATOM 122 O ALA A 7 -0.369 -3.602 -1.881 1.00 0.00 O ATOM 123 CB ALA A 7 1.907 -5.758 -2.105 1.00 0.00 C ATOM 124 HA ALA A 7 1.166 -5.804 -0.120 1.00 0.00 H ATOM 125 HB1 ALA A 7 2.153 -6.820 -2.104 1.00 0.00 H ATOM 126 HB2 ALA A 7 1.572 -5.462 -3.099 1.00 0.00 H ATOM 127 HB3 ALA A 7 2.789 -5.179 -1.830 1.00 0.00 H ATOM 128 H ALA A 7 -0.939 -6.009 -2.293 1.00 0.00 H ATOM 129 N VAL A 8 0.981 -3.243 -0.154 1.00 0.00 N ATOM 130 CA VAL A 8 0.648 -1.824 -0.107 1.00 0.00 C ATOM 131 C VAL A 8 1.862 -1.000 0.295 1.00 0.00 C ATOM 132 O VAL A 8 2.773 -1.503 0.944 1.00 0.00 O ATOM 133 CB VAL A 8 -0.543 -1.536 0.845 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.865 -2.751 1.704 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.280 -0.317 1.723 1.00 0.00 C ATOM 136 HA VAL A 8 0.341 -1.532 -1.111 1.00 0.00 H ATOM 137 HB VAL A 8 -1.408 -1.317 0.220 1.00 0.00 H ATOM 138 HG11 VAL A 8 -1.128 -3.590 1.060 1.00 0.00 H ATOM 139 HG12 VAL A 8 0.007 -3.011 2.304 1.00 0.00 H ATOM 140 HG13 VAL A 8 -1.704 -2.518 2.360 1.00 0.00 H ATOM 141 HG21 VAL A 8 0.610 -0.492 2.328 1.00 0.00 H ATOM 142 HG22 VAL A 8 -0.125 0.558 1.091 1.00 0.00 H ATOM 143 HG23 VAL A 8 -1.137 -0.149 2.375 1.00 0.00 H ATOM 144 H VAL A 8 1.654 -3.640 0.532 1.00 0.00 H ATOM 145 N GLY A 9 1.881 0.261 -0.111 1.00 0.00 N ATOM 146 CA GLY A 9 3.010 1.104 0.215 1.00 0.00 C ATOM 147 C GLY A 9 2.654 2.561 0.423 1.00 0.00 C ATOM 148 O GLY A 9 1.876 3.141 -0.333 1.00 0.00 O ATOM 149 HA3 GLY A 9 3.731 1.041 -0.600 1.00 0.00 H ATOM 150 HA2 GLY A 9 3.465 0.728 1.132 1.00 0.00 H ATOM 151 H GLY A 9 1.086 0.643 -0.662 1.00 0.00 H ATOM 152 N ILE A 10 3.275 3.158 1.432 1.00 0.00 N ATOM 153 CA ILE A 10 3.087 4.564 1.739 1.00 0.00 C ATOM 154 C ILE A 10 4.112 5.355 0.941 1.00 0.00 C ATOM 155 O ILE A 10 5.304 5.111 1.080 1.00 0.00 O ATOM 156 CB ILE A 10 3.278 4.848 3.249 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.084 3.737 3.930 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.934 5.016 3.937 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.414 4.030 5.377 1.00 0.00 C ATOM 160 HA ILE A 10 2.070 4.855 1.477 1.00 0.00 H ATOM 161 HB ILE A 10 3.840 5.778 3.340 1.00 0.00 H ATOM 162 HG12 ILE A 10 3.504 2.815 3.888 1.00 0.00 H ATOM 163 HG13 ILE A 10 5.017 3.603 3.383 1.00 0.00 H ATOM 164 HD11 ILE A 10 5.004 4.945 5.436 1.00 0.00 H ATOM 165 HD12 ILE A 10 3.490 4.156 5.941 1.00 0.00 H ATOM 166 HD13 ILE A 10 4.985 3.200 5.793 1.00 0.00 H ATOM 167 HG21 ILE A 10 1.398 5.851 3.486 1.00 0.00 H ATOM 168 HG22 ILE A 10 1.351 4.103 3.820 1.00 0.00 H ATOM 169 HG23 ILE A 10 2.092 5.215 4.997 1.00 0.00 H ATOM 170 H ILE A 10 3.920 2.598 2.025 1.00 0.00 H ATOM 171 N ILE A 11 3.666 6.279 0.090 1.00 0.00 N ATOM 172 CA ILE A 11 4.606 7.042 -0.727 1.00 0.00 C ATOM 173 C ILE A 11 5.200 8.237 0.008 1.00 0.00 C ATOM 174 O ILE A 11 4.525 9.219 0.288 1.00 0.00 O ATOM 175 CB ILE A 11 3.975 7.543 -2.039 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.856 6.603 -2.502 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.053 7.671 -3.109 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.628 6.627 -3.997 1.00 0.00 C ATOM 179 HA ILE A 11 5.404 6.336 -0.955 1.00 0.00 H ATOM 180 HB ILE A 11 3.531 8.523 -1.865 1.00 0.00 H ATOM 181 HG12 ILE A 11 3.116 5.586 -2.209 1.00 0.00 H ATOM 182 HG13 ILE A 11 1.931 6.897 -2.007 1.00 0.00 H ATOM 183 HD11 ILE A 11 2.356 7.636 -4.306 1.00 0.00 H ATOM 184 HD12 ILE A 11 3.542 6.324 -4.508 1.00 0.00 H ATOM 185 HD13 ILE A 11 1.822 5.938 -4.252 1.00 0.00 H ATOM 186 HG21 ILE A 11 5.811 8.381 -2.777 1.00 0.00 H ATOM 187 HG22 ILE A 11 5.514 6.698 -3.277 1.00 0.00 H ATOM 188 HG23 ILE A 11 4.603 8.026 -4.036 1.00 0.00 H ATOM 189 H ILE A 11 2.645 6.457 0.007 1.00 0.00 H ATOM 190 N ARG A 12 6.482 8.117 0.302 1.00 0.00 N ATOM 191 CA ARG A 12 7.215 9.164 1.011 1.00 0.00 C ATOM 192 C ARG A 12 7.648 10.262 0.053 1.00 0.00 C ATOM 193 O ARG A 12 7.965 9.992 -1.107 1.00 0.00 O ATOM 194 CB ARG A 12 8.436 8.586 1.718 1.00 0.00 C ATOM 195 CG ARG A 12 8.245 8.434 3.216 1.00 0.00 C ATOM 196 CD ARG A 12 9.017 9.492 3.990 1.00 0.00 C ATOM 197 NE ARG A 12 10.462 9.320 3.861 1.00 0.00 N ATOM 198 CZ ARG A 12 11.152 8.364 4.479 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.534 7.494 5.269 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.464 8.278 4.308 1.00 0.00 N ATOM 201 HA ARG A 12 6.546 9.592 1.758 1.00 0.00 H ATOM 202 HB2 ARG A 12 8.649 7.605 1.295 1.00 0.00 H ATOM 203 HB3 ARG A 12 9.284 9.248 1.542 1.00 0.00 H ATOM 204 HG2 ARG A 12 7.184 8.529 3.449 1.00 0.00 H ATOM 205 HG3 ARG A 12 8.596 7.447 3.519 1.00 0.00 H ATOM 206 HD2 ARG A 12 8.747 9.424 5.044 1.00 0.00 H ATOM 207 HD3 ARG A 12 8.744 10.476 3.609 1.00 0.00 H ATOM 208 HE ARG A 12 10.982 9.983 3.251 1.00 0.00 H ATOM 209 HH12 ARG A 12 11.079 6.749 5.749 1.00 0.00 H ATOM 210 HH11 ARG A 12 9.505 7.557 5.408 1.00 0.00 H ATOM 211 HH22 ARG A 12 13.003 7.531 4.791 1.00 0.00 H ATOM 212 HH21 ARG A 12 12.954 8.957 3.691 1.00 0.00 H ATOM 213 H ARG A 12 6.985 7.251 0.021 1.00 0.00 H ATOM 214 N ASN A 13 7.719 11.494 0.561 1.00 0.00 N ATOM 215 CA ASN A 13 8.179 12.625 -0.246 1.00 0.00 C ATOM 216 C ASN A 13 9.221 13.469 0.495 1.00 0.00 C ATOM 217 O ASN A 13 9.676 13.123 1.585 1.00 0.00 O ATOM 218 CB ASN A 13 7.018 13.516 -0.708 1.00 0.00 C ATOM 219 CG ASN A 13 6.029 13.836 0.389 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.867 13.443 0.323 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.481 14.563 1.404 1.00 0.00 N ATOM 222 HA ASN A 13 8.649 12.193 -1.130 1.00 0.00 H ATOM 223 HB2 ASN A 13 7.430 14.452 -1.085 1.00 0.00 H ATOM 224 HB3 ASN A 13 6.489 13.004 -1.511 1.00 0.00 H ATOM 225 HD22 ASN A 13 7.473 14.875 1.419 1.00 0.00 H ATOM 226 HD21 ASN A 13 5.843 14.821 2.184 1.00 0.00 H ATOM 227 H ASN A 13 7.442 11.654 1.551 1.00 0.00 H ATOM 228 N GLU A 14 9.575 14.582 -0.135 1.00 0.00 N ATOM 229 CA GLU A 14 10.548 15.527 0.395 1.00 0.00 C ATOM 230 C GLU A 14 10.223 15.943 1.823 1.00 0.00 C ATOM 231 O GLU A 14 11.059 15.867 2.723 1.00 0.00 O ATOM 232 CB GLU A 14 10.575 16.767 -0.500 1.00 0.00 C ATOM 233 CG GLU A 14 11.512 17.861 -0.010 1.00 0.00 C ATOM 234 CD GLU A 14 12.973 17.494 -0.174 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.425 17.354 -1.330 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.667 17.347 0.854 1.00 0.00 O ATOM 237 HA GLU A 14 11.521 15.037 0.408 1.00 0.00 H ATOM 238 HB2 GLU A 14 10.893 16.464 -1.497 1.00 0.00 H ATOM 239 HB3 GLU A 14 9.566 17.176 -0.550 1.00 0.00 H ATOM 240 HG2 GLU A 14 11.314 18.770 -0.578 1.00 0.00 H ATOM 241 HG3 GLU A 14 11.314 18.043 1.046 1.00 0.00 H ATOM 242 H GLU A 14 9.135 14.790 -1.054 1.00 0.00 H ATOM 243 N ASN A 15 9.012 16.424 1.990 1.00 0.00 N ATOM 244 CA ASN A 15 8.527 16.924 3.279 1.00 0.00 C ATOM 245 C ASN A 15 8.552 15.870 4.389 1.00 0.00 C ATOM 246 O ASN A 15 8.387 16.207 5.562 1.00 0.00 O ATOM 247 CB ASN A 15 7.108 17.470 3.119 1.00 0.00 C ATOM 248 CG ASN A 15 6.627 18.207 4.354 1.00 0.00 C ATOM 249 OD1 ASN A 15 7.397 18.457 5.281 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.347 18.560 4.371 1.00 0.00 N ATOM 251 HA ASN A 15 9.211 17.716 3.584 1.00 0.00 H ATOM 252 HB2 ASN A 15 7.091 18.157 2.273 1.00 0.00 H ATOM 253 HB3 ASN A 15 6.433 16.637 2.923 1.00 0.00 H ATOM 254 HD22 ASN A 15 4.733 18.328 3.565 1.00 0.00 H ATOM 255 HD21 ASN A 15 4.959 19.069 5.191 1.00 0.00 H ATOM 256 H ASN A 15 8.370 16.451 1.172 1.00 0.00 H ATOM 257 N ASN A 16 8.725 14.600 4.025 1.00 0.00 N ATOM 258 CA ASN A 16 8.736 13.504 5.006 1.00 0.00 C ATOM 259 C ASN A 16 7.309 13.059 5.327 1.00 0.00 C ATOM 260 O ASN A 16 7.075 12.229 6.210 1.00 0.00 O ATOM 261 CB ASN A 16 9.472 13.900 6.288 1.00 0.00 C ATOM 262 CG ASN A 16 10.523 12.882 6.687 1.00 0.00 C ATOM 263 OD1 ASN A 16 11.624 13.241 7.104 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.187 11.604 6.560 1.00 0.00 N ATOM 265 HA ASN A 16 9.275 12.668 4.560 1.00 0.00 H ATOM 266 HB2 ASN A 16 9.958 14.863 6.130 1.00 0.00 H ATOM 267 HB3 ASN A 16 8.746 13.989 7.096 1.00 0.00 H ATOM 268 HD22 ASN A 16 9.245 11.347 6.203 1.00 0.00 H ATOM 269 HD21 ASN A 16 10.866 10.860 6.817 1.00 0.00 H ATOM 270 H ASN A 16 8.856 14.377 3.018 1.00 0.00 H ATOM 271 N GLU A 17 6.364 13.575 4.554 1.00 0.00 N ATOM 272 CA GLU A 17 4.966 13.207 4.684 1.00 0.00 C ATOM 273 C GLU A 17 4.639 12.370 3.463 1.00 0.00 C ATOM 274 O GLU A 17 5.233 12.586 2.417 1.00 0.00 O ATOM 275 CB GLU A 17 4.069 14.448 4.752 1.00 0.00 C ATOM 276 CG GLU A 17 4.802 15.729 5.122 1.00 0.00 C ATOM 277 CD GLU A 17 3.956 16.659 5.970 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.799 16.928 5.583 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.450 17.119 7.020 1.00 0.00 O ATOM 280 HA GLU A 17 4.790 12.653 5.606 1.00 0.00 H ATOM 281 HB2 GLU A 17 3.606 14.589 3.775 1.00 0.00 H ATOM 282 HB3 GLU A 17 3.294 14.270 5.498 1.00 0.00 H ATOM 283 HG2 GLU A 17 5.702 15.469 5.680 1.00 0.00 H ATOM 284 HG3 GLU A 17 5.082 16.249 4.206 1.00 0.00 H ATOM 285 H GLU A 17 6.634 14.269 3.828 1.00 0.00 H ATOM 286 N ILE A 18 3.792 11.362 3.579 1.00 0.00 N ATOM 287 CA ILE A 18 3.552 10.494 2.433 1.00 0.00 C ATOM 288 C ILE A 18 2.206 10.723 1.747 1.00 0.00 C ATOM 289 O ILE A 18 1.151 10.749 2.377 1.00 0.00 O ATOM 290 CB ILE A 18 3.720 8.994 2.825 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.783 8.080 2.025 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.506 8.787 4.316 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.338 8.186 2.431 1.00 0.00 C ATOM 294 HA ILE A 18 4.311 10.764 1.699 1.00 0.00 H ATOM 295 HB ILE A 18 4.745 8.720 2.577 1.00 0.00 H ATOM 296 HG12 ILE A 18 2.864 8.343 0.970 1.00 0.00 H ATOM 297 HG13 ILE A 18 3.105 7.048 2.167 1.00 0.00 H ATOM 298 HD11 ILE A 18 1.236 7.914 3.482 1.00 0.00 H ATOM 299 HD12 ILE A 18 0.995 9.210 2.284 1.00 0.00 H ATOM 300 HD13 ILE A 18 0.740 7.510 1.820 1.00 0.00 H ATOM 301 HG21 ILE A 18 4.236 9.376 4.872 1.00 0.00 H ATOM 302 HG22 ILE A 18 2.499 9.106 4.585 1.00 0.00 H ATOM 303 HG23 ILE A 18 3.630 7.731 4.556 1.00 0.00 H ATOM 304 H ILE A 18 3.301 11.190 4.480 1.00 0.00 H ATOM 305 N PHE A 19 2.292 10.911 0.434 1.00 0.00 N ATOM 306 CA PHE A 19 1.136 11.153 -0.423 1.00 0.00 C ATOM 307 C PHE A 19 0.157 9.974 -0.399 1.00 0.00 C ATOM 308 O PHE A 19 0.334 8.990 -1.115 1.00 0.00 O ATOM 309 CB PHE A 19 1.643 11.421 -1.851 1.00 0.00 C ATOM 310 CG PHE A 19 0.717 11.028 -2.971 1.00 0.00 C ATOM 311 CD1 PHE A 19 0.780 9.759 -3.526 1.00 0.00 C ATOM 312 CD2 PHE A 19 -0.191 11.935 -3.488 1.00 0.00 C ATOM 313 CE1 PHE A 19 -0.047 9.401 -4.571 1.00 0.00 C ATOM 314 CE2 PHE A 19 -1.024 11.582 -4.533 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.952 10.314 -5.075 1.00 0.00 C ATOM 316 HA PHE A 19 0.587 12.019 -0.053 1.00 0.00 H ATOM 317 HB2 PHE A 19 1.838 12.490 -1.940 1.00 0.00 H ATOM 318 HB3 PHE A 19 2.575 10.871 -1.982 1.00 0.00 H ATOM 319 HD2 PHE A 19 -0.250 12.939 -3.067 1.00 0.00 H ATOM 320 HE2 PHE A 19 -1.738 12.304 -4.929 1.00 0.00 H ATOM 321 HZ PHE A 19 -1.608 10.034 -5.899 1.00 0.00 H ATOM 322 HE1 PHE A 19 0.014 8.400 -4.998 1.00 0.00 H ATOM 323 HD1 PHE A 19 1.492 9.034 -3.132 1.00 0.00 H ATOM 324 H PHE A 19 3.234 10.884 -0.006 1.00 0.00 H ATOM 325 N ILE A 20 -0.884 10.088 0.420 1.00 0.00 N ATOM 326 CA ILE A 20 -1.895 9.043 0.511 1.00 0.00 C ATOM 327 C ILE A 20 -3.149 9.468 -0.246 1.00 0.00 C ATOM 328 O ILE A 20 -3.640 10.583 -0.067 1.00 0.00 O ATOM 329 CB ILE A 20 -2.286 8.702 1.970 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.632 9.662 2.968 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.917 7.262 2.296 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.959 9.348 4.413 1.00 0.00 C ATOM 333 HA ILE A 20 -1.456 8.149 0.069 1.00 0.00 H ATOM 334 HB ILE A 20 -3.366 8.818 2.059 1.00 0.00 H ATOM 335 HG12 ILE A 20 -0.551 9.610 2.840 1.00 0.00 H ATOM 336 HG13 ILE A 20 -1.974 10.673 2.749 1.00 0.00 H ATOM 337 HD11 ILE A 20 -3.037 9.407 4.561 1.00 0.00 H ATOM 338 HD12 ILE A 20 -1.613 8.343 4.652 1.00 0.00 H ATOM 339 HD13 ILE A 20 -1.461 10.069 5.062 1.00 0.00 H ATOM 340 HG21 ILE A 20 -2.447 6.591 1.620 1.00 0.00 H ATOM 341 HG22 ILE A 20 -0.842 7.128 2.175 1.00 0.00 H ATOM 342 HG23 ILE A 20 -2.199 7.040 3.325 1.00 0.00 H ATOM 343 H ILE A 20 -0.979 10.941 1.008 1.00 0.00 H ATOM 344 N THR A 21 -3.666 8.585 -1.091 1.00 0.00 N ATOM 345 CA THR A 21 -4.862 8.893 -1.867 1.00 0.00 C ATOM 346 C THR A 21 -6.089 8.939 -0.965 1.00 0.00 C ATOM 347 O THR A 21 -6.515 7.915 -0.439 1.00 0.00 O ATOM 348 CB THR A 21 -5.068 7.849 -2.966 1.00 0.00 C ATOM 349 OG1 THR A 21 -5.118 6.544 -2.416 1.00 0.00 O ATOM 350 CG2 THR A 21 -3.981 7.863 -4.018 1.00 0.00 C ATOM 351 HA THR A 21 -4.726 9.872 -2.327 1.00 0.00 H ATOM 352 HB THR A 21 -6.013 8.114 -3.441 1.00 0.00 H ATOM 353 HG1 THR A 21 -4.267 6.352 -1.947 1.00 0.00 H ATOM 354 HG23 THR A 21 -3.918 8.857 -4.461 1.00 0.00 H ATOM 355 HG21 THR A 21 -3.027 7.609 -3.556 1.00 0.00 H ATOM 356 HG22 THR A 21 -4.217 7.133 -4.792 1.00 0.00 H ATOM 357 H THR A 21 -3.210 7.657 -1.202 1.00 0.00 H ATOM 358 N ARG A 22 -6.650 10.133 -0.791 1.00 0.00 N ATOM 359 CA ARG A 22 -7.828 10.311 0.054 1.00 0.00 C ATOM 360 C ARG A 22 -8.727 11.414 -0.492 1.00 0.00 C ATOM 361 O ARG A 22 -8.248 12.390 -1.067 1.00 0.00 O ATOM 362 CB ARG A 22 -7.398 10.636 1.491 1.00 0.00 C ATOM 363 CG ARG A 22 -8.500 11.228 2.361 1.00 0.00 C ATOM 364 CD ARG A 22 -8.313 12.724 2.556 1.00 0.00 C ATOM 365 NE ARG A 22 -6.969 13.051 3.027 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.536 12.806 4.262 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.338 12.236 5.153 1.00 0.00 N ATOM 368 NH2 ARG A 22 -5.298 13.132 4.607 1.00 0.00 N ATOM 369 HA ARG A 22 -8.396 9.381 0.055 1.00 0.00 H ATOM 370 HB2 ARG A 22 -7.051 9.715 1.960 1.00 0.00 H ATOM 371 HB3 ARG A 22 -6.577 11.351 1.448 1.00 0.00 H ATOM 372 HG2 ARG A 22 -9.463 11.051 1.883 1.00 0.00 H ATOM 373 HG3 ARG A 22 -8.484 10.739 3.335 1.00 0.00 H ATOM 374 HD2 ARG A 22 -9.039 13.077 3.289 1.00 0.00 H ATOM 375 HD3 ARG A 22 -8.485 13.227 1.605 1.00 0.00 H ATOM 376 HE ARG A 22 -6.312 13.502 2.358 1.00 0.00 H ATOM 377 HH12 ARG A 22 -6.994 12.047 6.116 1.00 0.00 H ATOM 378 HH11 ARG A 22 -8.310 11.978 4.888 1.00 0.00 H ATOM 379 HH22 ARG A 22 -4.960 12.941 5.572 1.00 0.00 H ATOM 380 HH21 ARG A 22 -4.665 13.579 3.913 1.00 0.00 H ATOM 381 H ARG A 22 -6.239 10.960 -1.269 1.00 0.00 H ATOM 382 N ARG A 23 -10.034 11.248 -0.299 1.00 0.00 N ATOM 383 CA ARG A 23 -11.016 12.228 -0.764 1.00 0.00 C ATOM 384 C ARG A 23 -10.811 12.572 -2.236 1.00 0.00 C ATOM 385 O ARG A 23 -11.431 11.977 -3.117 1.00 0.00 O ATOM 386 CB ARG A 23 -10.949 13.496 0.094 1.00 0.00 C ATOM 387 CG ARG A 23 -11.762 13.408 1.376 1.00 0.00 C ATOM 388 CD ARG A 23 -12.776 14.538 1.475 1.00 0.00 C ATOM 389 NE ARG A 23 -12.143 15.816 1.793 1.00 0.00 N ATOM 390 CZ ARG A 23 -12.710 17.000 1.575 1.00 0.00 C ATOM 391 NH1 ARG A 23 -13.923 17.074 1.040 1.00 0.00 N ATOM 392 NH2 ARG A 23 -12.064 18.113 1.893 1.00 0.00 N ATOM 393 HA ARG A 23 -12.005 11.782 -0.662 1.00 0.00 H ATOM 394 HB2 ARG A 23 -9.907 13.679 0.358 1.00 0.00 H ATOM 395 HB3 ARG A 23 -11.325 14.332 -0.496 1.00 0.00 H ATOM 396 HG2 ARG A 23 -12.291 12.455 1.395 1.00 0.00 H ATOM 397 HG3 ARG A 23 -11.085 13.464 2.229 1.00 0.00 H ATOM 398 HD2 ARG A 23 -13.496 14.297 2.257 1.00 0.00 H ATOM 399 HD3 ARG A 23 -13.295 14.630 0.521 1.00 0.00 H ATOM 400 HE ARG A 23 -11.193 15.799 2.215 1.00 0.00 H ATOM 401 HH12 ARG A 23 -14.361 18.002 0.872 1.00 0.00 H ATOM 402 HH11 ARG A 23 -14.435 16.204 0.789 1.00 0.00 H ATOM 403 HH22 ARG A 23 -12.507 19.038 1.723 1.00 0.00 H ATOM 404 HH21 ARG A 23 -11.114 18.061 2.313 1.00 0.00 H ATOM 405 H ARG A 23 -10.367 10.397 0.197 1.00 0.00 H ATOM 406 N ALA A 24 -9.939 13.536 -2.483 1.00 0.00 N ATOM 407 CA ALA A 24 -9.623 13.990 -3.838 1.00 0.00 C ATOM 408 C ALA A 24 -10.656 14.993 -4.341 1.00 0.00 C ATOM 409 O ALA A 24 -11.005 15.001 -5.521 1.00 0.00 O ATOM 410 CB ALA A 24 -9.517 12.812 -4.797 1.00 0.00 C ATOM 411 HA ALA A 24 -8.656 14.491 -3.798 1.00 0.00 H ATOM 412 HB1 ALA A 24 -8.728 12.140 -4.460 1.00 0.00 H ATOM 413 HB2 ALA A 24 -10.466 12.277 -4.819 1.00 0.00 H ATOM 414 HB3 ALA A 24 -9.281 13.179 -5.796 1.00 0.00 H ATOM 415 H ALA A 24 -9.458 13.990 -1.681 1.00 0.00 H ATOM 416 N ALA A 25 -11.136 15.843 -3.438 1.00 0.00 N ATOM 417 CA ALA A 25 -12.124 16.858 -3.789 1.00 0.00 C ATOM 418 C ALA A 25 -13.356 16.234 -4.438 1.00 0.00 C ATOM 419 O ALA A 25 -13.475 16.202 -5.662 1.00 0.00 O ATOM 420 CB ALA A 25 -11.507 17.894 -4.715 1.00 0.00 C ATOM 421 HA ALA A 25 -12.443 17.348 -2.869 1.00 0.00 H ATOM 422 HB1 ALA A 25 -10.666 18.373 -4.214 1.00 0.00 H ATOM 423 HB2 ALA A 25 -11.159 17.405 -5.625 1.00 0.00 H ATOM 424 HB3 ALA A 25 -12.256 18.645 -4.968 1.00 0.00 H ATOM 425 H ALA A 25 -10.799 15.783 -2.456 1.00 0.00 H ATOM 426 N ASP A 26 -14.270 15.743 -3.608 1.00 0.00 N ATOM 427 CA ASP A 26 -15.495 15.123 -4.100 1.00 0.00 C ATOM 428 C ASP A 26 -15.184 13.954 -5.031 1.00 0.00 C ATOM 429 O ASP A 26 -15.080 14.126 -6.246 1.00 0.00 O ATOM 430 CB ASP A 26 -16.356 16.156 -4.824 1.00 0.00 C ATOM 431 CG ASP A 26 -17.701 16.361 -4.155 1.00 0.00 C ATOM 432 OD1 ASP A 26 -18.218 15.396 -3.552 1.00 0.00 O ATOM 433 OD2 ASP A 26 -18.238 17.486 -4.234 1.00 0.00 O ATOM 434 HA ASP A 26 -16.046 14.737 -3.242 1.00 0.00 H ATOM 435 HB2 ASP A 26 -15.824 17.107 -4.838 1.00 0.00 H ATOM 436 HB3 ASP A 26 -16.522 15.818 -5.847 1.00 0.00 H ATOM 437 H ASP A 26 -14.108 15.802 -2.582 1.00 0.00 H ATOM 438 N ALA A 27 -15.038 12.767 -4.453 1.00 0.00 N ATOM 439 CA ALA A 27 -14.741 11.569 -5.229 1.00 0.00 C ATOM 440 C ALA A 27 -15.748 10.463 -4.933 1.00 0.00 C ATOM 441 O ALA A 27 -16.802 10.711 -4.346 1.00 0.00 O ATOM 442 CB ALA A 27 -13.325 11.093 -4.941 1.00 0.00 C ATOM 443 HA ALA A 27 -14.818 11.819 -6.287 1.00 0.00 H ATOM 444 HB1 ALA A 27 -12.618 11.877 -5.210 1.00 0.00 H ATOM 445 HB2 ALA A 27 -13.229 10.864 -3.880 1.00 0.00 H ATOM 446 HB3 ALA A 27 -13.118 10.198 -5.527 1.00 0.00 H ATOM 447 H ALA A 27 -15.138 12.690 -3.421 1.00 0.00 H ATOM 448 N HIS A 28 -15.420 9.241 -5.342 1.00 0.00 N ATOM 449 CA HIS A 28 -16.298 8.097 -5.120 1.00 0.00 C ATOM 450 C HIS A 28 -16.623 7.936 -3.638 1.00 0.00 C ATOM 451 O HIS A 28 -17.789 7.933 -3.245 1.00 0.00 O ATOM 452 CB HIS A 28 -15.650 6.819 -5.653 1.00 0.00 C ATOM 453 CG HIS A 28 -15.355 6.863 -7.120 1.00 0.00 C ATOM 454 ND1 HIS A 28 -15.656 7.948 -7.916 1.00 0.00 N ATOM 455 CD2 HIS A 28 -14.782 5.947 -7.937 1.00 0.00 C ATOM 456 CE1 HIS A 28 -15.282 7.698 -9.158 1.00 0.00 C ATOM 457 NE2 HIS A 28 -14.748 6.491 -9.197 1.00 0.00 N ATOM 458 HA HIS A 28 -17.228 8.277 -5.659 1.00 0.00 H ATOM 459 HB2 HIS A 28 -14.714 6.658 -5.118 1.00 0.00 H ATOM 460 HB3 HIS A 28 -16.325 5.985 -5.462 1.00 0.00 H ATOM 461 HD2 HIS A 28 -14.416 4.962 -7.648 1.00 0.00 H ATOM 462 HE1 HIS A 28 -15.395 8.373 -10.006 1.00 0.00 H ATOM 463 H HIS A 28 -14.514 9.097 -5.833 1.00 0.00 H ATOM 464 N MET A 29 -15.584 7.800 -2.820 1.00 0.00 N ATOM 465 CA MET A 29 -15.761 7.637 -1.381 1.00 0.00 C ATOM 466 C MET A 29 -14.634 8.318 -0.611 1.00 0.00 C ATOM 467 O MET A 29 -13.461 8.189 -0.963 1.00 0.00 O ATOM 468 CB MET A 29 -15.814 6.151 -1.019 1.00 0.00 C ATOM 469 CG MET A 29 -17.115 5.474 -1.416 1.00 0.00 C ATOM 470 SD MET A 29 -16.928 3.696 -1.654 1.00 0.00 S ATOM 471 CE MET A 29 -18.630 3.155 -1.526 1.00 0.00 C ATOM 472 HA MET A 29 -16.703 8.108 -1.101 1.00 0.00 H ATOM 473 HB2 MET A 29 -14.993 5.643 -1.525 1.00 0.00 H ATOM 474 HB3 MET A 29 -15.690 6.054 0.060 1.00 0.00 H ATOM 475 HG2 MET A 29 -17.469 5.916 -2.348 1.00 0.00 H ATOM 476 HG3 MET A 29 -17.852 5.646 -0.631 1.00 0.00 H ATOM 477 HE1 MET A 29 -19.023 3.425 -0.546 1.00 0.00 H ATOM 478 HE2 MET A 29 -19.223 3.639 -2.302 1.00 0.00 H ATOM 479 HE3 MET A 29 -18.677 2.073 -1.653 1.00 0.00 H ATOM 480 H MET A 29 -14.622 7.810 -3.215 1.00 0.00 H ATOM 481 N ALA A 30 -14.998 9.041 0.443 1.00 0.00 N ATOM 482 CA ALA A 30 -14.017 9.740 1.266 1.00 0.00 C ATOM 483 C ALA A 30 -13.243 8.770 2.157 1.00 0.00 C ATOM 484 O ALA A 30 -12.265 9.152 2.799 1.00 0.00 O ATOM 485 CB ALA A 30 -14.700 10.802 2.115 1.00 0.00 C ATOM 486 HA ALA A 30 -13.304 10.222 0.597 1.00 0.00 H ATOM 487 HB1 ALA A 30 -15.197 11.522 1.464 1.00 0.00 H ATOM 488 HB2 ALA A 30 -15.437 10.328 2.764 1.00 0.00 H ATOM 489 HB3 ALA A 30 -13.954 11.314 2.723 1.00 0.00 H ATOM 490 H ALA A 30 -16.007 9.110 0.687 1.00 0.00 H ATOM 491 N ASN A 31 -13.685 7.515 2.194 1.00 0.00 N ATOM 492 CA ASN A 31 -13.030 6.498 3.008 1.00 0.00 C ATOM 493 C ASN A 31 -12.024 5.701 2.181 1.00 0.00 C ATOM 494 O ASN A 31 -11.800 4.517 2.433 1.00 0.00 O ATOM 495 CB ASN A 31 -14.071 5.555 3.615 1.00 0.00 C ATOM 496 CG ASN A 31 -13.777 5.227 5.066 1.00 0.00 C ATOM 497 OD1 ASN A 31 -13.249 4.160 5.379 1.00 0.00 O ATOM 498 ND2 ASN A 31 -14.118 6.147 5.961 1.00 0.00 N ATOM 499 HA ASN A 31 -12.492 7.002 3.811 1.00 0.00 H ATOM 500 HB2 ASN A 31 -15.051 6.029 3.554 1.00 0.00 H ATOM 501 HB3 ASN A 31 -14.081 4.628 3.041 1.00 0.00 H ATOM 502 HD22 ASN A 31 -14.562 7.035 5.651 1.00 0.00 H ATOM 503 HD21 ASN A 31 -13.941 5.980 6.972 1.00 0.00 H ATOM 504 H ASN A 31 -14.518 7.253 1.629 1.00 0.00 H ATOM 505 N LYS A 32 -11.427 6.355 1.188 1.00 0.00 N ATOM 506 CA LYS A 32 -10.453 5.703 0.320 1.00 0.00 C ATOM 507 C LYS A 32 -9.040 6.198 0.592 1.00 0.00 C ATOM 508 O LYS A 32 -8.179 6.159 -0.285 1.00 0.00 O ATOM 509 CB LYS A 32 -10.811 5.919 -1.150 1.00 0.00 C ATOM 510 CG LYS A 32 -10.459 4.739 -2.042 1.00 0.00 C ATOM 511 CD LYS A 32 -11.264 3.502 -1.675 1.00 0.00 C ATOM 512 CE LYS A 32 -12.383 3.247 -2.673 1.00 0.00 C ATOM 513 NZ LYS A 32 -12.040 2.155 -3.626 1.00 0.00 N ATOM 514 HA LYS A 32 -10.484 4.636 0.540 1.00 0.00 H ATOM 515 HB2 LYS A 32 -11.884 6.097 -1.221 1.00 0.00 H ATOM 516 HB3 LYS A 32 -10.274 6.796 -1.511 1.00 0.00 H ATOM 517 HG2 LYS A 32 -10.669 5.003 -3.078 1.00 0.00 H ATOM 518 HG3 LYS A 32 -9.398 4.516 -1.933 1.00 0.00 H ATOM 519 HD2 LYS A 32 -10.599 2.638 -1.660 1.00 0.00 H ATOM 520 HD3 LYS A 32 -11.698 3.642 -0.685 1.00 0.00 H ATOM 521 HE2 LYS A 32 -12.568 4.162 -3.236 1.00 0.00 H ATOM 522 HE3 LYS A 32 -13.285 2.969 -2.128 1.00 0.00 H ATOM 523 HZ1 LYS A 32 -11.184 2.415 -4.156 1.00 0.00 H ATOM 524 HZ2 LYS A 32 -11.868 1.276 -3.097 1.00 0.00 H ATOM 525 HZ3 LYS A 32 -12.829 2.014 -4.288 1.00 0.00 H ATOM 526 H LYS A 32 -11.661 7.356 1.027 1.00 0.00 H ATOM 527 N LEU A 33 -8.814 6.655 1.813 1.00 0.00 N ATOM 528 CA LEU A 33 -7.504 7.159 2.228 1.00 0.00 C ATOM 529 C LEU A 33 -6.484 6.018 2.306 1.00 0.00 C ATOM 530 O LEU A 33 -5.882 5.773 3.348 1.00 0.00 O ATOM 531 CB LEU A 33 -7.638 7.881 3.575 1.00 0.00 C ATOM 532 CG LEU A 33 -6.328 8.209 4.297 1.00 0.00 C ATOM 533 CD1 LEU A 33 -5.394 9.002 3.398 1.00 0.00 C ATOM 534 CD2 LEU A 33 -6.609 8.973 5.582 1.00 0.00 C ATOM 535 HA LEU A 33 -7.140 7.870 1.486 1.00 0.00 H ATOM 536 HB2 LEU A 33 -8.166 8.819 3.400 1.00 0.00 H ATOM 537 HB3 LEU A 33 -8.233 7.249 4.234 1.00 0.00 H ATOM 538 HG LEU A 33 -5.835 7.270 4.550 1.00 0.00 H ATOM 539 HD21 LEU A 33 -7.127 9.902 5.345 1.00 0.00 H ATOM 540 HD22 LEU A 33 -7.233 8.364 6.236 1.00 0.00 H ATOM 541 HD23 LEU A 33 -5.667 9.198 6.083 1.00 0.00 H ATOM 542 HD11 LEU A 33 -5.166 8.417 2.507 1.00 0.00 H ATOM 543 HD12 LEU A 33 -5.877 9.935 3.108 1.00 0.00 H ATOM 544 HD13 LEU A 33 -4.472 9.221 3.937 1.00 0.00 H ATOM 545 H LEU A 33 -9.594 6.656 2.501 1.00 0.00 H ATOM 546 N GLU A 34 -6.294 5.316 1.190 1.00 0.00 N ATOM 547 CA GLU A 34 -5.356 4.200 1.142 1.00 0.00 C ATOM 548 C GLU A 34 -4.175 4.503 0.229 1.00 0.00 C ATOM 549 O GLU A 34 -4.087 5.579 -0.362 1.00 0.00 O ATOM 550 CB GLU A 34 -6.065 2.927 0.675 1.00 0.00 C ATOM 551 CG GLU A 34 -5.680 1.690 1.472 1.00 0.00 C ATOM 552 CD GLU A 34 -6.137 0.403 0.811 1.00 0.00 C ATOM 553 OE1 GLU A 34 -6.973 0.475 -0.114 1.00 0.00 O ATOM 554 OE2 GLU A 34 -5.659 -0.676 1.219 1.00 0.00 O ATOM 555 HA GLU A 34 -4.973 4.047 2.151 1.00 0.00 H ATOM 556 HB2 GLU A 34 -7.141 3.077 0.768 1.00 0.00 H ATOM 557 HB3 GLU A 34 -5.813 2.756 -0.372 1.00 0.00 H ATOM 558 HG2 GLU A 34 -4.595 1.664 1.574 1.00 0.00 H ATOM 559 HG3 GLU A 34 -6.135 1.756 2.460 1.00 0.00 H ATOM 560 H GLU A 34 -6.827 5.569 0.333 1.00 0.00 H ATOM 561 N PHE A 35 -3.261 3.544 0.135 1.00 0.00 N ATOM 562 CA PHE A 35 -2.066 3.690 -0.686 1.00 0.00 C ATOM 563 C PHE A 35 -1.992 2.618 -1.778 1.00 0.00 C ATOM 564 O PHE A 35 -2.722 1.627 -1.742 1.00 0.00 O ATOM 565 CB PHE A 35 -0.805 3.614 0.190 1.00 0.00 C ATOM 566 CG PHE A 35 -1.075 3.483 1.665 1.00 0.00 C ATOM 567 CD1 PHE A 35 -1.648 2.332 2.182 1.00 0.00 C ATOM 568 CD2 PHE A 35 -0.750 4.511 2.532 1.00 0.00 C ATOM 569 CE1 PHE A 35 -1.893 2.210 3.536 1.00 0.00 C ATOM 570 CE2 PHE A 35 -0.992 4.396 3.887 1.00 0.00 C ATOM 571 CZ PHE A 35 -1.563 3.244 4.390 1.00 0.00 C ATOM 572 HA PHE A 35 -2.122 4.666 -1.169 1.00 0.00 H ATOM 573 HB2 PHE A 35 -0.221 2.750 -0.127 1.00 0.00 H ATOM 574 HB3 PHE A 35 -0.224 4.522 0.030 1.00 0.00 H ATOM 575 HD2 PHE A 35 -0.298 5.422 2.141 1.00 0.00 H ATOM 576 HE2 PHE A 35 -0.732 5.214 4.559 1.00 0.00 H ATOM 577 HZ PHE A 35 -1.753 3.151 5.459 1.00 0.00 H ATOM 578 HE1 PHE A 35 -2.346 1.300 3.929 1.00 0.00 H ATOM 579 HD1 PHE A 35 -1.909 1.513 1.512 1.00 0.00 H ATOM 580 H PHE A 35 -3.403 2.660 0.665 1.00 0.00 H ATOM 581 N PRO A 36 -1.070 2.795 -2.745 1.00 0.00 N ATOM 582 CA PRO A 36 -0.842 1.842 -3.841 1.00 0.00 C ATOM 583 C PRO A 36 -0.726 0.409 -3.329 1.00 0.00 C ATOM 584 O PRO A 36 -0.612 0.190 -2.123 1.00 0.00 O ATOM 585 CB PRO A 36 0.491 2.299 -4.460 1.00 0.00 C ATOM 586 CG PRO A 36 1.048 3.306 -3.511 1.00 0.00 C ATOM 587 CD PRO A 36 -0.136 3.926 -2.835 1.00 0.00 C ATOM 588 HA PRO A 36 -1.667 1.836 -4.553 1.00 0.00 H ATOM 589 HD3 PRO A 36 0.126 4.303 -1.846 1.00 0.00 H ATOM 590 HD2 PRO A 36 -0.553 4.737 -3.433 1.00 0.00 H ATOM 591 HG3 PRO A 36 1.617 4.063 -4.051 1.00 0.00 H ATOM 592 HG2 PRO A 36 1.694 2.822 -2.778 1.00 0.00 H ATOM 593 HB2 PRO A 36 1.173 1.455 -4.563 1.00 0.00 H ATOM 594 HB3 PRO A 36 0.322 2.750 -5.438 1.00 0.00 H ATOM 595 N GLY A 37 -0.753 -0.568 -4.236 1.00 0.00 N ATOM 596 CA GLY A 37 -0.645 -1.951 -3.806 1.00 0.00 C ATOM 597 C GLY A 37 -1.956 -2.712 -3.796 1.00 0.00 C ATOM 598 O GLY A 37 -2.406 -3.214 -2.767 1.00 0.00 O ATOM 599 HA3 GLY A 37 -0.237 -1.962 -2.795 1.00 0.00 H ATOM 600 HA2 GLY A 37 0.041 -2.464 -4.479 1.00 0.00 H ATOM 601 H GLY A 37 -0.851 -0.341 -5.246 1.00 0.00 H ATOM 602 N GLY A 38 -2.547 -2.800 -4.962 1.00 0.00 N ATOM 603 CA GLY A 38 -3.798 -3.514 -5.134 1.00 0.00 C ATOM 604 C GLY A 38 -3.779 -4.388 -6.378 1.00 0.00 C ATOM 605 O GLY A 38 -3.817 -3.866 -7.492 1.00 0.00 O ATOM 606 HA3 GLY A 38 -4.609 -2.791 -5.222 1.00 0.00 H ATOM 607 HA2 GLY A 38 -3.968 -4.144 -4.261 1.00 0.00 H ATOM 608 H GLY A 38 -2.107 -2.345 -5.787 1.00 0.00 H ATOM 609 N LYS A 39 -3.709 -5.718 -6.184 1.00 0.00 N ATOM 610 CA LYS A 39 -3.673 -6.691 -7.286 1.00 0.00 C ATOM 611 C LYS A 39 -2.270 -7.265 -7.470 1.00 0.00 C ATOM 612 O LYS A 39 -1.950 -7.813 -8.524 1.00 0.00 O ATOM 613 CB LYS A 39 -4.152 -6.087 -8.611 1.00 0.00 C ATOM 614 CG LYS A 39 -4.239 -7.105 -9.734 1.00 0.00 C ATOM 615 CD LYS A 39 -5.499 -6.918 -10.565 1.00 0.00 C ATOM 616 CE LYS A 39 -6.119 -8.252 -10.951 1.00 0.00 C ATOM 617 NZ LYS A 39 -7.521 -8.374 -10.465 1.00 0.00 N ATOM 618 HA LYS A 39 -4.358 -7.492 -7.009 1.00 0.00 H ATOM 619 HB2 LYS A 39 -5.141 -5.654 -8.458 1.00 0.00 H ATOM 620 HB3 LYS A 39 -3.455 -5.303 -8.907 1.00 0.00 H ATOM 621 HG2 LYS A 39 -3.369 -6.993 -10.381 1.00 0.00 H ATOM 622 HG3 LYS A 39 -4.244 -8.107 -9.304 1.00 0.00 H ATOM 623 HD2 LYS A 39 -6.223 -6.346 -9.986 1.00 0.00 H ATOM 624 HD3 LYS A 39 -5.246 -6.369 -11.472 1.00 0.00 H ATOM 625 HE2 LYS A 39 -5.524 -9.056 -10.517 1.00 0.00 H ATOM 626 HE3 LYS A 39 -6.113 -8.343 -12.037 1.00 0.00 H ATOM 627 HZ1 LYS A 39 -7.535 -8.295 -9.428 1.00 0.00 H ATOM 628 HZ2 LYS A 39 -8.098 -7.614 -10.879 1.00 0.00 H ATOM 629 HZ3 LYS A 39 -7.906 -9.297 -10.749 1.00 0.00 H ATOM 630 H LYS A 39 -3.679 -6.075 -5.208 1.00 0.00 H ATOM 631 N ILE A 40 -1.439 -7.154 -6.440 1.00 0.00 N ATOM 632 CA ILE A 40 -0.080 -7.685 -6.510 1.00 0.00 C ATOM 633 C ILE A 40 -0.126 -9.200 -6.563 1.00 0.00 C ATOM 634 O ILE A 40 0.670 -9.850 -7.240 1.00 0.00 O ATOM 635 CB ILE A 40 0.812 -7.212 -5.328 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.908 -8.267 -4.208 1.00 0.00 C ATOM 637 CG2 ILE A 40 0.300 -5.890 -4.774 1.00 0.00 C ATOM 638 CD1 ILE A 40 2.311 -8.445 -3.666 1.00 0.00 C ATOM 639 HA ILE A 40 0.375 -7.295 -7.420 1.00 0.00 H ATOM 640 HB ILE A 40 1.819 -7.069 -5.720 1.00 0.00 H ATOM 641 HG12 ILE A 40 0.257 -7.961 -3.389 1.00 0.00 H ATOM 642 HG13 ILE A 40 0.567 -9.223 -4.604 1.00 0.00 H ATOM 643 HD11 ILE A 40 2.973 -8.762 -4.472 1.00 0.00 H ATOM 644 HD12 ILE A 40 2.663 -7.499 -3.256 1.00 0.00 H ATOM 645 HD13 ILE A 40 2.303 -9.202 -2.882 1.00 0.00 H ATOM 646 HG21 ILE A 40 0.321 -5.135 -5.560 1.00 0.00 H ATOM 647 HG22 ILE A 40 -0.723 -6.018 -4.419 1.00 0.00 H ATOM 648 HG23 ILE A 40 0.936 -5.573 -3.947 1.00 0.00 H ATOM 649 H ILE A 40 -1.761 -6.682 -5.571 1.00 0.00 H ATOM 650 N GLU A 41 -1.082 -9.739 -5.828 1.00 0.00 N ATOM 651 CA GLU A 41 -1.294 -11.175 -5.738 1.00 0.00 C ATOM 652 C GLU A 41 -1.211 -11.836 -7.112 1.00 0.00 C ATOM 653 O GLU A 41 -0.160 -12.345 -7.498 1.00 0.00 O ATOM 654 CB GLU A 41 -2.651 -11.457 -5.088 1.00 0.00 C ATOM 655 CG GLU A 41 -3.731 -10.440 -5.452 1.00 0.00 C ATOM 656 CD GLU A 41 -5.018 -11.094 -5.917 1.00 0.00 C ATOM 657 OE1 GLU A 41 -5.326 -12.205 -5.438 1.00 0.00 O ATOM 658 OE2 GLU A 41 -5.717 -10.495 -6.761 1.00 0.00 O ATOM 659 HA GLU A 41 -0.504 -11.601 -5.120 1.00 0.00 H ATOM 660 HB2 GLU A 41 -2.987 -12.444 -5.406 1.00 0.00 H ATOM 661 HB3 GLU A 41 -2.522 -11.450 -4.006 1.00 0.00 H ATOM 662 HG2 GLU A 41 -3.946 -9.831 -4.574 1.00 0.00 H ATOM 663 HG3 GLU A 41 -3.355 -9.802 -6.252 1.00 0.00 H ATOM 664 H GLU A 41 -1.711 -9.109 -5.290 1.00 0.00 H ATOM 665 N MET A 42 -2.322 -11.819 -7.847 1.00 0.00 N ATOM 666 CA MET A 42 -2.374 -12.414 -9.182 1.00 0.00 C ATOM 667 C MET A 42 -1.703 -13.790 -9.205 1.00 0.00 C ATOM 668 O MET A 42 -2.345 -14.807 -8.942 1.00 0.00 O ATOM 669 CB MET A 42 -1.709 -11.485 -10.202 1.00 0.00 C ATOM 670 CG MET A 42 -2.677 -10.538 -10.885 1.00 0.00 C ATOM 671 SD MET A 42 -3.748 -11.373 -12.070 1.00 0.00 S ATOM 672 CE MET A 42 -5.163 -11.753 -11.040 1.00 0.00 C ATOM 673 HA MET A 42 -3.422 -12.546 -9.450 1.00 0.00 H ATOM 674 HB2 MET A 42 -0.953 -10.892 -9.687 1.00 0.00 H ATOM 675 HB3 MET A 42 -1.230 -12.098 -10.966 1.00 0.00 H ATOM 676 HG2 MET A 42 -2.105 -9.773 -11.410 1.00 0.00 H ATOM 677 HG3 MET A 42 -3.299 -10.066 -10.124 1.00 0.00 H ATOM 678 HE1 MET A 42 -4.848 -12.389 -10.213 1.00 0.00 H ATOM 679 HE2 MET A 42 -5.585 -10.827 -10.648 1.00 0.00 H ATOM 680 HE3 MET A 42 -5.914 -12.273 -11.634 1.00 0.00 H ATOM 681 H MET A 42 -3.177 -11.370 -7.460 1.00 0.00 H ATOM 682 N GLY A 43 -0.409 -13.815 -9.522 1.00 0.00 N ATOM 683 CA GLY A 43 0.319 -15.069 -9.572 1.00 0.00 C ATOM 684 C GLY A 43 1.820 -14.880 -9.560 1.00 0.00 C ATOM 685 O GLY A 43 2.566 -15.724 -10.055 1.00 0.00 O ATOM 686 HA3 GLY A 43 0.042 -15.596 -10.485 1.00 0.00 H ATOM 687 HA2 GLY A 43 0.037 -15.670 -8.707 1.00 0.00 H ATOM 688 H GLY A 43 0.085 -12.925 -9.736 1.00 0.00 H ATOM 689 N GLU A 44 2.261 -13.769 -8.995 1.00 0.00 N ATOM 690 CA GLU A 44 3.685 -13.460 -8.918 1.00 0.00 C ATOM 691 C GLU A 44 4.269 -13.917 -7.584 1.00 0.00 C ATOM 692 O GLU A 44 3.632 -14.667 -6.844 1.00 0.00 O ATOM 693 CB GLU A 44 3.908 -11.958 -9.110 1.00 0.00 C ATOM 694 CG GLU A 44 4.574 -11.607 -10.431 1.00 0.00 C ATOM 695 CD GLU A 44 3.753 -10.640 -11.262 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.044 -9.800 -10.668 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.819 -10.722 -12.506 1.00 0.00 O ATOM 698 HA GLU A 44 4.198 -13.999 -9.715 1.00 0.00 H ATOM 699 HB2 GLU A 44 2.941 -11.457 -9.067 1.00 0.00 H ATOM 700 HB3 GLU A 44 4.539 -11.596 -8.298 1.00 0.00 H ATOM 701 HG2 GLU A 44 5.543 -11.153 -10.223 1.00 0.00 H ATOM 702 HG3 GLU A 44 4.718 -12.523 -11.003 1.00 0.00 H ATOM 703 H GLU A 44 1.575 -13.098 -8.595 1.00 0.00 H ATOM 704 N THR A 45 5.479 -13.456 -7.274 1.00 0.00 N ATOM 705 CA THR A 45 6.133 -13.816 -6.024 1.00 0.00 C ATOM 706 C THR A 45 5.929 -12.709 -4.996 1.00 0.00 C ATOM 707 O THR A 45 5.635 -11.571 -5.359 1.00 0.00 O ATOM 708 CB THR A 45 7.630 -14.054 -6.258 1.00 0.00 C ATOM 709 OG1 THR A 45 7.948 -13.949 -7.634 1.00 0.00 O ATOM 710 CG2 THR A 45 8.104 -15.411 -5.785 1.00 0.00 C ATOM 711 HA THR A 45 5.691 -14.737 -5.645 1.00 0.00 H ATOM 712 HB THR A 45 8.135 -13.285 -5.674 1.00 0.00 H ATOM 713 HG1 THR A 45 8.917 -14.106 -7.760 1.00 0.00 H ATOM 714 HG23 THR A 45 7.874 -15.526 -4.726 1.00 0.00 H ATOM 715 HG21 THR A 45 7.597 -16.190 -6.355 1.00 0.00 H ATOM 716 HG22 THR A 45 9.181 -15.491 -5.935 1.00 0.00 H ATOM 717 H THR A 45 5.968 -12.824 -7.940 1.00 0.00 H ATOM 718 N PRO A 46 6.086 -13.016 -3.696 1.00 0.00 N ATOM 719 CA PRO A 46 5.920 -12.033 -2.627 1.00 0.00 C ATOM 720 C PRO A 46 6.584 -10.700 -2.959 1.00 0.00 C ATOM 721 O PRO A 46 6.170 -9.650 -2.468 1.00 0.00 O ATOM 722 CB PRO A 46 6.601 -12.693 -1.414 1.00 0.00 C ATOM 723 CG PRO A 46 7.212 -13.960 -1.923 1.00 0.00 C ATOM 724 CD PRO A 46 6.440 -14.329 -3.154 1.00 0.00 C ATOM 725 HA PRO A 46 4.871 -11.792 -2.456 1.00 0.00 H ATOM 726 HD3 PRO A 46 7.056 -14.894 -3.854 1.00 0.00 H ATOM 727 HD2 PRO A 46 5.551 -14.908 -2.905 1.00 0.00 H ATOM 728 HG3 PRO A 46 7.129 -14.748 -1.174 1.00 0.00 H ATOM 729 HG2 PRO A 46 8.262 -13.802 -2.168 1.00 0.00 H ATOM 730 HB2 PRO A 46 7.371 -12.037 -1.008 1.00 0.00 H ATOM 731 HB3 PRO A 46 5.866 -12.911 -0.639 1.00 0.00 H ATOM 732 N GLU A 47 7.615 -10.749 -3.798 1.00 0.00 N ATOM 733 CA GLU A 47 8.332 -9.545 -4.196 1.00 0.00 C ATOM 734 C GLU A 47 7.960 -9.116 -5.616 1.00 0.00 C ATOM 735 O GLU A 47 7.664 -7.947 -5.858 1.00 0.00 O ATOM 736 CB GLU A 47 9.842 -9.773 -4.102 1.00 0.00 C ATOM 737 CG GLU A 47 10.417 -9.477 -2.726 1.00 0.00 C ATOM 738 CD GLU A 47 10.886 -10.726 -2.007 1.00 0.00 C ATOM 739 OE1 GLU A 47 11.292 -11.689 -2.692 1.00 0.00 O ATOM 740 OE2 GLU A 47 10.847 -10.743 -0.758 1.00 0.00 O ATOM 741 HA GLU A 47 8.043 -8.746 -3.513 1.00 0.00 H ATOM 742 HB2 GLU A 47 10.049 -10.815 -4.346 1.00 0.00 H ATOM 743 HB3 GLU A 47 10.334 -9.126 -4.828 1.00 0.00 H ATOM 744 HG2 GLU A 47 11.264 -8.801 -2.840 1.00 0.00 H ATOM 745 HG3 GLU A 47 9.648 -8.995 -2.123 1.00 0.00 H ATOM 746 H GLU A 47 7.916 -11.669 -4.179 1.00 0.00 H ATOM 747 N GLN A 48 7.990 -10.062 -6.554 1.00 0.00 N ATOM 748 CA GLN A 48 7.674 -9.768 -7.951 1.00 0.00 C ATOM 749 C GLN A 48 6.186 -9.489 -8.161 1.00 0.00 C ATOM 750 O GLN A 48 5.769 -9.131 -9.263 1.00 0.00 O ATOM 751 CB GLN A 48 8.120 -10.925 -8.847 1.00 0.00 C ATOM 752 CG GLN A 48 9.517 -10.747 -9.420 1.00 0.00 C ATOM 753 CD GLN A 48 10.339 -12.020 -9.361 1.00 0.00 C ATOM 754 OE1 GLN A 48 11.512 -11.998 -8.988 1.00 0.00 O ATOM 755 NE2 GLN A 48 9.726 -13.138 -9.730 1.00 0.00 N ATOM 756 HA GLN A 48 8.218 -8.863 -8.222 1.00 0.00 H ATOM 757 HB2 GLN A 48 8.103 -11.843 -8.259 1.00 0.00 H ATOM 758 HB3 GLN A 48 7.416 -11.011 -9.675 1.00 0.00 H ATOM 759 HG2 GLN A 48 9.430 -10.435 -10.461 1.00 0.00 H ATOM 760 HG3 GLN A 48 10.032 -9.972 -8.851 1.00 0.00 H ATOM 761 HE22 GLN A 48 8.733 -13.109 -10.038 1.00 0.00 H ATOM 762 HE21 GLN A 48 10.239 -14.043 -9.711 1.00 0.00 H ATOM 763 H GLN A 48 8.245 -11.034 -6.286 1.00 0.00 H ATOM 764 N ALA A 49 5.388 -9.639 -7.110 1.00 0.00 N ATOM 765 CA ALA A 49 3.957 -9.385 -7.206 1.00 0.00 C ATOM 766 C ALA A 49 3.668 -7.898 -7.060 1.00 0.00 C ATOM 767 O ALA A 49 2.898 -7.323 -7.830 1.00 0.00 O ATOM 768 CB ALA A 49 3.204 -10.178 -6.149 1.00 0.00 C ATOM 769 HA ALA A 49 3.616 -9.708 -8.189 1.00 0.00 H ATOM 770 HB1 ALA A 49 3.386 -11.242 -6.297 1.00 0.00 H ATOM 771 HB2 ALA A 49 3.551 -9.883 -5.159 1.00 0.00 H ATOM 772 HB3 ALA A 49 2.137 -9.975 -6.236 1.00 0.00 H ATOM 773 H ALA A 49 5.792 -9.943 -6.202 1.00 0.00 H ATOM 774 N VAL A 50 4.309 -7.278 -6.077 1.00 0.00 N ATOM 775 CA VAL A 50 4.138 -5.852 -5.844 1.00 0.00 C ATOM 776 C VAL A 50 4.970 -5.033 -6.823 1.00 0.00 C ATOM 777 O VAL A 50 4.568 -3.951 -7.228 1.00 0.00 O ATOM 778 CB VAL A 50 4.506 -5.439 -4.405 1.00 0.00 C ATOM 779 CG1 VAL A 50 5.830 -6.055 -3.982 1.00 0.00 C ATOM 780 CG2 VAL A 50 4.549 -3.920 -4.289 1.00 0.00 C ATOM 781 HA VAL A 50 3.079 -5.647 -5.997 1.00 0.00 H ATOM 782 HB VAL A 50 3.737 -5.816 -3.731 1.00 0.00 H ATOM 783 HG11 VAL A 50 5.754 -7.141 -4.026 1.00 0.00 H ATOM 784 HG12 VAL A 50 6.618 -5.717 -4.655 1.00 0.00 H ATOM 785 HG13 VAL A 50 6.064 -5.746 -2.963 1.00 0.00 H ATOM 786 HG21 VAL A 50 5.297 -3.525 -4.977 1.00 0.00 H ATOM 787 HG22 VAL A 50 3.571 -3.510 -4.540 1.00 0.00 H ATOM 788 HG23 VAL A 50 4.810 -3.642 -3.268 1.00 0.00 H ATOM 789 H VAL A 50 4.946 -7.822 -5.461 1.00 0.00 H ATOM 790 N VAL A 51 6.134 -5.550 -7.194 1.00 0.00 N ATOM 791 CA VAL A 51 7.013 -4.845 -8.118 1.00 0.00 C ATOM 792 C VAL A 51 6.256 -4.411 -9.369 1.00 0.00 C ATOM 793 O VAL A 51 6.525 -3.348 -9.929 1.00 0.00 O ATOM 794 CB VAL A 51 8.227 -5.707 -8.526 1.00 0.00 C ATOM 795 CG1 VAL A 51 9.131 -4.951 -9.493 1.00 0.00 C ATOM 796 CG2 VAL A 51 9.008 -6.145 -7.295 1.00 0.00 C ATOM 797 HA VAL A 51 7.378 -3.962 -7.593 1.00 0.00 H ATOM 798 HB VAL A 51 7.856 -6.597 -9.035 1.00 0.00 H ATOM 799 HG11 VAL A 51 8.567 -4.693 -10.389 1.00 0.00 H ATOM 800 HG12 VAL A 51 9.492 -4.041 -9.015 1.00 0.00 H ATOM 801 HG13 VAL A 51 9.978 -5.581 -9.764 1.00 0.00 H ATOM 802 HG21 VAL A 51 9.362 -5.265 -6.759 1.00 0.00 H ATOM 803 HG22 VAL A 51 8.359 -6.731 -6.644 1.00 0.00 H ATOM 804 HG23 VAL A 51 9.860 -6.751 -7.603 1.00 0.00 H ATOM 805 H VAL A 51 6.424 -6.475 -6.819 1.00 0.00 H ATOM 806 N ARG A 52 5.313 -5.238 -9.809 1.00 0.00 N ATOM 807 CA ARG A 52 4.529 -4.931 -10.999 1.00 0.00 C ATOM 808 C ARG A 52 3.435 -3.910 -10.698 1.00 0.00 C ATOM 809 O ARG A 52 3.092 -3.085 -11.544 1.00 0.00 O ATOM 810 CB ARG A 52 3.916 -6.211 -11.573 1.00 0.00 C ATOM 811 CG ARG A 52 3.054 -5.977 -12.804 1.00 0.00 C ATOM 812 CD ARG A 52 2.741 -7.280 -13.523 1.00 0.00 C ATOM 813 NE ARG A 52 1.337 -7.365 -13.914 1.00 0.00 N ATOM 814 CZ ARG A 52 0.352 -7.685 -13.078 1.00 0.00 C ATOM 815 NH1 ARG A 52 0.614 -7.951 -11.804 1.00 0.00 N ATOM 816 NH2 ARG A 52 -0.898 -7.740 -13.516 1.00 0.00 N ATOM 817 HA ARG A 52 5.200 -4.494 -11.738 1.00 0.00 H ATOM 818 HB2 ARG A 52 4.725 -6.889 -11.843 1.00 0.00 H ATOM 819 HB3 ARG A 52 3.298 -6.673 -10.803 1.00 0.00 H ATOM 820 HG2 ARG A 52 2.119 -5.508 -12.498 1.00 0.00 H ATOM 821 HG3 ARG A 52 3.585 -5.314 -13.487 1.00 0.00 H ATOM 822 HD2 ARG A 52 2.973 -8.113 -12.859 1.00 0.00 H ATOM 823 HD3 ARG A 52 3.360 -7.346 -14.417 1.00 0.00 H ATOM 824 HE ARG A 52 1.092 -7.164 -14.904 1.00 0.00 H ATOM 825 HH12 ARG A 52 -0.160 -8.201 -11.155 1.00 0.00 H ATOM 826 HH11 ARG A 52 1.593 -7.910 -11.455 1.00 0.00 H ATOM 827 HH22 ARG A 52 -1.667 -7.990 -12.863 1.00 0.00 H ATOM 828 HH21 ARG A 52 -1.109 -7.533 -14.513 1.00 0.00 H ATOM 829 H ARG A 52 5.131 -6.123 -9.293 1.00 0.00 H ATOM 830 N GLU A 53 2.925 -3.948 -9.477 1.00 0.00 N ATOM 831 CA GLU A 53 1.907 -2.997 -9.048 1.00 0.00 C ATOM 832 C GLU A 53 2.575 -1.673 -8.690 1.00 0.00 C ATOM 833 O GLU A 53 2.012 -0.601 -8.869 1.00 0.00 O ATOM 834 CB GLU A 53 1.124 -3.547 -7.854 1.00 0.00 C ATOM 835 CG GLU A 53 0.451 -4.884 -8.131 1.00 0.00 C ATOM 836 CD GLU A 53 -0.251 -4.924 -9.475 1.00 0.00 C ATOM 837 OE1 GLU A 53 -1.379 -4.396 -9.571 1.00 0.00 O ATOM 838 OE2 GLU A 53 0.326 -5.484 -10.430 1.00 0.00 O ATOM 839 HA GLU A 53 1.201 -2.834 -9.863 1.00 0.00 H ATOM 840 HB2 GLU A 53 1.813 -3.674 -7.019 1.00 0.00 H ATOM 841 HB3 GLU A 53 0.355 -2.823 -7.583 1.00 0.00 H ATOM 842 HG2 GLU A 53 1.210 -5.666 -8.111 1.00 0.00 H ATOM 843 HG3 GLU A 53 -0.284 -5.072 -7.349 1.00 0.00 H ATOM 844 H GLU A 53 3.258 -4.672 -8.809 1.00 0.00 H ATOM 845 N LEU A 54 3.770 -1.794 -8.126 1.00 0.00 N ATOM 846 CA LEU A 54 4.517 -0.629 -7.675 1.00 0.00 C ATOM 847 C LEU A 54 4.509 0.411 -8.786 1.00 0.00 C ATOM 848 O LEU A 54 4.207 1.581 -8.557 1.00 0.00 O ATOM 849 CB LEU A 54 5.952 -1.024 -7.325 1.00 0.00 C ATOM 850 CG LEU A 54 6.553 -0.276 -6.137 1.00 0.00 C ATOM 851 CD1 LEU A 54 6.503 -1.133 -4.883 1.00 0.00 C ATOM 852 CD2 LEU A 54 7.979 0.153 -6.443 1.00 0.00 C ATOM 853 HA LEU A 54 4.053 -0.215 -6.780 1.00 0.00 H ATOM 854 HB2 LEU A 54 5.964 -2.090 -7.096 1.00 0.00 H ATOM 855 HB3 LEU A 54 6.578 -0.834 -8.197 1.00 0.00 H ATOM 856 HG LEU A 54 5.959 0.620 -5.958 1.00 0.00 H ATOM 857 HD21 LEU A 54 8.586 -0.728 -6.650 1.00 0.00 H ATOM 858 HD22 LEU A 54 7.981 0.810 -7.313 1.00 0.00 H ATOM 859 HD23 LEU A 54 8.389 0.684 -5.584 1.00 0.00 H ATOM 860 HD11 LEU A 54 5.466 -1.382 -4.656 1.00 0.00 H ATOM 861 HD12 LEU A 54 7.071 -2.049 -5.048 1.00 0.00 H ATOM 862 HD13 LEU A 54 6.936 -0.580 -4.049 1.00 0.00 H ATOM 863 H LEU A 54 4.182 -2.741 -8.004 1.00 0.00 H ATOM 864 N GLN A 55 4.829 -0.033 -9.991 1.00 0.00 N ATOM 865 CA GLN A 55 4.845 0.854 -11.154 1.00 0.00 C ATOM 866 C GLN A 55 3.426 1.104 -11.665 1.00 0.00 C ATOM 867 O GLN A 55 3.140 2.143 -12.259 1.00 0.00 O ATOM 868 CB GLN A 55 5.703 0.252 -12.268 1.00 0.00 C ATOM 869 CG GLN A 55 5.822 1.143 -13.494 1.00 0.00 C ATOM 870 CD GLN A 55 7.206 1.102 -14.112 1.00 0.00 C ATOM 871 OE1 GLN A 55 7.869 2.130 -14.246 1.00 0.00 O ATOM 872 NE2 GLN A 55 7.648 -0.091 -14.494 1.00 0.00 N ATOM 873 HA GLN A 55 5.276 1.808 -10.849 1.00 0.00 H ATOM 874 HB2 GLN A 55 6.703 0.072 -11.874 1.00 0.00 H ATOM 875 HB3 GLN A 55 5.258 -0.695 -12.572 1.00 0.00 H ATOM 876 HG2 GLN A 55 5.097 0.812 -14.238 1.00 0.00 H ATOM 877 HG3 GLN A 55 5.600 2.170 -13.203 1.00 0.00 H ATOM 878 HE22 GLN A 55 7.053 -0.933 -14.361 1.00 0.00 H ATOM 879 HE21 GLN A 55 8.590 -0.183 -14.926 1.00 0.00 H ATOM 880 H GLN A 55 5.075 -1.036 -10.114 1.00 0.00 H ATOM 881 N GLU A 56 2.545 0.139 -11.428 1.00 0.00 N ATOM 882 CA GLU A 56 1.152 0.238 -11.858 1.00 0.00 C ATOM 883 C GLU A 56 0.361 1.184 -10.963 1.00 0.00 C ATOM 884 O GLU A 56 -0.671 1.717 -11.367 1.00 0.00 O ATOM 885 CB GLU A 56 0.494 -1.140 -11.835 1.00 0.00 C ATOM 886 CG GLU A 56 -0.551 -1.338 -12.921 1.00 0.00 C ATOM 887 CD GLU A 56 -1.780 -2.073 -12.421 1.00 0.00 C ATOM 888 OE1 GLU A 56 -2.075 -1.985 -11.210 1.00 0.00 O ATOM 889 OE2 GLU A 56 -2.449 -2.736 -13.242 1.00 0.00 O ATOM 890 HA GLU A 56 1.148 0.634 -12.874 1.00 0.00 H ATOM 891 HB2 GLU A 56 1.270 -1.894 -11.963 1.00 0.00 H ATOM 892 HB3 GLU A 56 0.013 -1.276 -10.866 1.00 0.00 H ATOM 893 HG2 GLU A 56 -0.856 -0.361 -13.294 1.00 0.00 H ATOM 894 HG3 GLU A 56 -0.106 -1.913 -13.733 1.00 0.00 H ATOM 895 H GLU A 56 2.856 -0.714 -10.921 1.00 0.00 H ATOM 896 N GLU A 57 0.837 1.366 -9.739 1.00 0.00 N ATOM 897 CA GLU A 57 0.163 2.220 -8.774 1.00 0.00 C ATOM 898 C GLU A 57 0.933 3.522 -8.540 1.00 0.00 C ATOM 899 O GLU A 57 0.553 4.333 -7.695 1.00 0.00 O ATOM 900 CB GLU A 57 -0.022 1.471 -7.453 1.00 0.00 C ATOM 901 CG GLU A 57 -0.457 0.022 -7.625 1.00 0.00 C ATOM 902 CD GLU A 57 -1.946 -0.169 -7.414 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.537 0.597 -6.624 1.00 0.00 O ATOM 904 OE2 GLU A 57 -2.521 -1.086 -8.039 1.00 0.00 O ATOM 905 HA GLU A 57 -0.814 2.481 -9.181 1.00 0.00 H ATOM 906 HB2 GLU A 57 0.925 1.484 -6.914 1.00 0.00 H ATOM 907 HB3 GLU A 57 -0.780 1.990 -6.866 1.00 0.00 H ATOM 908 HG2 GLU A 57 -0.203 -0.302 -8.634 1.00 0.00 H ATOM 909 HG3 GLU A 57 0.080 -0.592 -6.902 1.00 0.00 H ATOM 910 H GLU A 57 1.716 0.885 -9.461 1.00 0.00 H ATOM 911 N VAL A 58 2.001 3.725 -9.307 1.00 0.00 N ATOM 912 CA VAL A 58 2.807 4.934 -9.202 1.00 0.00 C ATOM 913 C VAL A 58 3.099 5.476 -10.591 1.00 0.00 C ATOM 914 O VAL A 58 2.991 6.676 -10.842 1.00 0.00 O ATOM 915 CB VAL A 58 4.142 4.679 -8.472 1.00 0.00 C ATOM 916 CG1 VAL A 58 4.859 5.989 -8.189 1.00 0.00 C ATOM 917 CG2 VAL A 58 3.913 3.917 -7.183 1.00 0.00 C ATOM 918 HA VAL A 58 2.236 5.657 -8.621 1.00 0.00 H ATOM 919 HB VAL A 58 4.772 4.073 -9.124 1.00 0.00 H ATOM 920 HG11 VAL A 58 5.063 6.500 -9.130 1.00 0.00 H ATOM 921 HG12 VAL A 58 4.228 6.619 -7.561 1.00 0.00 H ATOM 922 HG13 VAL A 58 5.798 5.784 -7.674 1.00 0.00 H ATOM 923 HG21 VAL A 58 3.260 4.497 -6.531 1.00 0.00 H ATOM 924 HG22 VAL A 58 3.446 2.958 -7.407 1.00 0.00 H ATOM 925 HG23 VAL A 58 4.869 3.749 -6.687 1.00 0.00 H ATOM 926 H VAL A 58 2.268 2.999 -10.002 1.00 0.00 H ATOM 927 N GLY A 59 3.453 4.567 -11.495 1.00 0.00 N ATOM 928 CA GLY A 59 3.742 4.938 -12.865 1.00 0.00 C ATOM 929 C GLY A 59 5.033 5.709 -13.029 1.00 0.00 C ATOM 930 O GLY A 59 5.786 5.485 -13.976 1.00 0.00 O ATOM 931 HA3 GLY A 59 2.923 5.556 -13.234 1.00 0.00 H ATOM 932 HA2 GLY A 59 3.807 4.028 -13.462 1.00 0.00 H ATOM 933 H GLY A 59 3.524 3.569 -11.212 1.00 0.00 H ATOM 934 N ILE A 60 5.281 6.614 -12.109 1.00 0.00 N ATOM 935 CA ILE A 60 6.480 7.431 -12.141 1.00 0.00 C ATOM 936 C ILE A 60 7.686 6.641 -11.655 1.00 0.00 C ATOM 937 O ILE A 60 7.593 5.442 -11.395 1.00 0.00 O ATOM 938 CB ILE A 60 6.349 8.709 -11.278 1.00 0.00 C ATOM 939 CG1 ILE A 60 5.307 8.562 -10.169 1.00 0.00 C ATOM 940 CG2 ILE A 60 6.028 9.913 -12.150 1.00 0.00 C ATOM 941 CD1 ILE A 60 5.667 9.334 -8.917 1.00 0.00 C ATOM 942 HA ILE A 60 6.617 7.728 -13.181 1.00 0.00 H ATOM 943 HB ILE A 60 7.313 8.864 -10.794 1.00 0.00 H ATOM 944 HG12 ILE A 60 4.350 8.927 -10.540 1.00 0.00 H ATOM 945 HG13 ILE A 60 5.217 7.506 -9.913 1.00 0.00 H ATOM 946 HD11 ILE A 60 6.619 8.972 -8.529 1.00 0.00 H ATOM 947 HD12 ILE A 60 5.751 10.394 -9.157 1.00 0.00 H ATOM 948 HD13 ILE A 60 4.889 9.190 -8.167 1.00 0.00 H ATOM 949 HG21 ILE A 60 6.828 10.057 -12.877 1.00 0.00 H ATOM 950 HG22 ILE A 60 5.087 9.741 -12.673 1.00 0.00 H ATOM 951 HG23 ILE A 60 5.940 10.801 -11.524 1.00 0.00 H ATOM 952 H ILE A 60 4.599 6.749 -11.336 1.00 0.00 H ATOM 953 N THR A 61 8.818 7.326 -11.541 1.00 0.00 N ATOM 954 CA THR A 61 10.046 6.716 -11.092 1.00 0.00 C ATOM 955 C THR A 61 10.417 7.247 -9.713 1.00 0.00 C ATOM 956 O THR A 61 11.100 8.265 -9.598 1.00 0.00 O ATOM 957 CB THR A 61 11.137 7.062 -12.086 1.00 0.00 C ATOM 958 OG1 THR A 61 10.926 8.355 -12.625 1.00 0.00 O ATOM 959 CG2 THR A 61 11.219 6.093 -13.242 1.00 0.00 C ATOM 960 HA THR A 61 9.925 5.635 -11.025 1.00 0.00 H ATOM 961 HB THR A 61 12.070 7.013 -11.525 1.00 0.00 H ATOM 962 HG1 THR A 61 10.934 9.022 -11.893 1.00 0.00 H ATOM 963 HG23 THR A 61 11.382 5.086 -12.859 1.00 0.00 H ATOM 964 HG21 THR A 61 10.287 6.123 -13.806 1.00 0.00 H ATOM 965 HG22 THR A 61 12.048 6.374 -13.892 1.00 0.00 H ATOM 966 H THR A 61 8.819 8.337 -11.784 1.00 0.00 H ATOM 967 N PRO A 62 9.932 6.600 -8.644 1.00 0.00 N ATOM 968 CA PRO A 62 10.163 7.032 -7.284 1.00 0.00 C ATOM 969 C PRO A 62 11.101 6.135 -6.494 1.00 0.00 C ATOM 970 O PRO A 62 11.095 4.916 -6.666 1.00 0.00 O ATOM 971 CB PRO A 62 8.754 6.870 -6.737 1.00 0.00 C ATOM 972 CG PRO A 62 8.287 5.582 -7.345 1.00 0.00 C ATOM 973 CD PRO A 62 9.048 5.425 -8.646 1.00 0.00 C ATOM 974 HA PRO A 62 10.627 8.016 -7.224 1.00 0.00 H ATOM 975 HD3 PRO A 62 9.623 4.499 -8.657 1.00 0.00 H ATOM 976 HD2 PRO A 62 8.373 5.441 -9.502 1.00 0.00 H ATOM 977 HG3 PRO A 62 7.215 5.622 -7.537 1.00 0.00 H ATOM 978 HG2 PRO A 62 8.504 4.748 -6.677 1.00 0.00 H ATOM 979 HB2 PRO A 62 8.763 6.807 -5.649 1.00 0.00 H ATOM 980 HB3 PRO A 62 8.118 7.700 -7.046 1.00 0.00 H ATOM 981 N GLN A 63 11.847 6.729 -5.567 1.00 0.00 N ATOM 982 CA GLN A 63 12.702 5.938 -4.706 1.00 0.00 C ATOM 983 C GLN A 63 11.775 5.269 -3.711 1.00 0.00 C ATOM 984 O GLN A 63 11.577 5.744 -2.592 1.00 0.00 O ATOM 985 CB GLN A 63 13.730 6.814 -3.990 1.00 0.00 C ATOM 986 CG GLN A 63 14.512 7.720 -4.927 1.00 0.00 C ATOM 987 CD GLN A 63 15.350 8.742 -4.184 1.00 0.00 C ATOM 988 OE1 GLN A 63 15.155 8.973 -2.991 1.00 0.00 O ATOM 989 NE2 GLN A 63 16.289 9.363 -4.889 1.00 0.00 N ATOM 990 HA GLN A 63 13.273 5.207 -5.278 1.00 0.00 H ATOM 991 HB2 GLN A 63 13.207 7.437 -3.264 1.00 0.00 H ATOM 992 HB3 GLN A 63 14.434 6.165 -3.470 1.00 0.00 H ATOM 993 HG2 GLN A 63 15.172 7.105 -5.538 1.00 0.00 H ATOM 994 HG3 GLN A 63 13.809 8.247 -5.572 1.00 0.00 H ATOM 995 HE22 GLN A 63 16.419 9.136 -5.896 1.00 0.00 H ATOM 996 HE21 GLN A 63 16.894 10.076 -4.434 1.00 0.00 H ATOM 997 H GLN A 63 11.816 7.763 -5.460 1.00 0.00 H ATOM 998 N HIS A 64 11.160 4.196 -4.173 1.00 0.00 N ATOM 999 CA HIS A 64 10.179 3.465 -3.392 1.00 0.00 C ATOM 1000 C HIS A 64 10.572 2.006 -3.255 1.00 0.00 C ATOM 1001 O HIS A 64 10.870 1.335 -4.243 1.00 0.00 O ATOM 1002 CB HIS A 64 8.823 3.613 -4.095 1.00 0.00 C ATOM 1003 CG HIS A 64 7.732 2.676 -3.645 1.00 0.00 C ATOM 1004 ND1 HIS A 64 6.400 3.035 -3.652 1.00 0.00 N ATOM 1005 CD2 HIS A 64 7.765 1.390 -3.208 1.00 0.00 C ATOM 1006 CE1 HIS A 64 5.665 2.017 -3.240 1.00 0.00 C ATOM 1007 NE2 HIS A 64 6.469 1.009 -2.965 1.00 0.00 N ATOM 1008 HA HIS A 64 10.122 3.868 -2.381 1.00 0.00 H ATOM 1009 HB2 HIS A 64 8.474 4.633 -3.932 1.00 0.00 H ATOM 1010 HB3 HIS A 64 8.982 3.451 -5.161 1.00 0.00 H ATOM 1011 HD2 HIS A 64 8.655 0.775 -3.075 1.00 0.00 H ATOM 1012 HE1 HIS A 64 4.579 2.012 -3.144 1.00 0.00 H ATOM 1013 H HIS A 64 11.387 3.862 -5.132 1.00 0.00 H ATOM 1014 N PHE A 65 10.575 1.521 -2.019 1.00 0.00 N ATOM 1015 CA PHE A 65 10.937 0.149 -1.740 1.00 0.00 C ATOM 1016 C PHE A 65 10.937 -0.104 -0.234 1.00 0.00 C ATOM 1017 O PHE A 65 10.540 0.754 0.544 1.00 0.00 O ATOM 1018 CB PHE A 65 12.326 -0.114 -2.297 1.00 0.00 C ATOM 1019 CG PHE A 65 12.495 -1.442 -2.994 1.00 0.00 C ATOM 1020 CD1 PHE A 65 11.572 -2.467 -2.831 1.00 0.00 C ATOM 1021 CD2 PHE A 65 13.583 -1.658 -3.826 1.00 0.00 C ATOM 1022 CE1 PHE A 65 11.734 -3.676 -3.480 1.00 0.00 C ATOM 1023 CE2 PHE A 65 13.748 -2.865 -4.479 1.00 0.00 C ATOM 1024 CZ PHE A 65 12.823 -3.875 -4.306 1.00 0.00 C ATOM 1025 HA PHE A 65 10.212 -0.518 -2.206 1.00 0.00 H ATOM 1026 HB2 PHE A 65 12.558 0.675 -3.012 1.00 0.00 H ATOM 1027 HB3 PHE A 65 13.035 -0.074 -1.470 1.00 0.00 H ATOM 1028 HD2 PHE A 65 14.318 -0.865 -3.967 1.00 0.00 H ATOM 1029 HE2 PHE A 65 14.608 -3.019 -5.130 1.00 0.00 H ATOM 1030 HZ PHE A 65 12.952 -4.827 -4.820 1.00 0.00 H ATOM 1031 HE1 PHE A 65 11.003 -4.472 -3.340 1.00 0.00 H ATOM 1032 HD1 PHE A 65 10.709 -2.316 -2.183 1.00 0.00 H ATOM 1033 H PHE A 65 10.310 2.145 -1.230 1.00 0.00 H ATOM 1034 N SER A 66 11.395 -1.284 0.165 1.00 0.00 N ATOM 1035 CA SER A 66 11.468 -1.660 1.573 1.00 0.00 C ATOM 1036 C SER A 66 10.096 -2.034 2.102 1.00 0.00 C ATOM 1037 O SER A 66 9.082 -1.592 1.572 1.00 0.00 O ATOM 1038 CB SER A 66 12.060 -0.522 2.411 1.00 0.00 C ATOM 1039 OG SER A 66 13.148 0.093 1.742 1.00 0.00 O ATOM 1040 HA SER A 66 12.122 -2.528 1.653 1.00 0.00 H ATOM 1041 HB2 SER A 66 12.408 -0.924 3.362 1.00 0.00 H ATOM 1042 HB3 SER A 66 11.287 0.224 2.595 1.00 0.00 H ATOM 1043 HG SER A 66 12.836 0.464 0.879 1.00 0.00 H ATOM 1044 H SER A 66 11.714 -1.966 -0.553 1.00 0.00 H ATOM 1045 N LEU A 67 10.074 -2.858 3.143 1.00 0.00 N ATOM 1046 CA LEU A 67 8.823 -3.301 3.744 1.00 0.00 C ATOM 1047 C LEU A 67 8.719 -2.828 5.189 1.00 0.00 C ATOM 1048 O LEU A 67 9.496 -3.252 6.044 1.00 0.00 O ATOM 1049 CB LEU A 67 8.721 -4.828 3.681 1.00 0.00 C ATOM 1050 CG LEU A 67 7.580 -5.443 4.500 1.00 0.00 C ATOM 1051 CD1 LEU A 67 6.760 -6.399 3.646 1.00 0.00 C ATOM 1052 CD2 LEU A 67 8.128 -6.159 5.726 1.00 0.00 C ATOM 1053 HA LEU A 67 7.998 -2.865 3.180 1.00 0.00 H ATOM 1054 HB2 LEU A 67 8.580 -5.114 2.639 1.00 0.00 H ATOM 1055 HB3 LEU A 67 9.660 -5.244 4.046 1.00 0.00 H ATOM 1056 HG LEU A 67 6.927 -4.637 4.835 1.00 0.00 H ATOM 1057 HD21 LEU A 67 8.805 -6.953 5.409 1.00 0.00 H ATOM 1058 HD22 LEU A 67 8.668 -5.447 6.350 1.00 0.00 H ATOM 1059 HD23 LEU A 67 7.302 -6.588 6.294 1.00 0.00 H ATOM 1060 HD11 LEU A 67 6.336 -5.857 2.801 1.00 0.00 H ATOM 1061 HD12 LEU A 67 7.403 -7.199 3.280 1.00 0.00 H ATOM 1062 HD13 LEU A 67 5.956 -6.823 4.248 1.00 0.00 H ATOM 1063 H LEU A 67 10.974 -3.196 3.540 1.00 0.00 H ATOM 1064 N PHE A 68 7.767 -1.937 5.458 1.00 0.00 N ATOM 1065 CA PHE A 68 7.588 -1.404 6.800 1.00 0.00 C ATOM 1066 C PHE A 68 6.921 -2.447 7.698 1.00 0.00 C ATOM 1067 O PHE A 68 7.275 -2.594 8.868 1.00 0.00 O ATOM 1068 CB PHE A 68 6.747 -0.115 6.739 1.00 0.00 C ATOM 1069 CG PHE A 68 5.554 -0.088 7.662 1.00 0.00 C ATOM 1070 CD1 PHE A 68 4.423 -0.838 7.380 1.00 0.00 C ATOM 1071 CD2 PHE A 68 5.566 0.690 8.809 1.00 0.00 C ATOM 1072 CE1 PHE A 68 3.328 -0.814 8.222 1.00 0.00 C ATOM 1073 CE2 PHE A 68 4.473 0.720 9.655 1.00 0.00 C ATOM 1074 CZ PHE A 68 3.353 -0.033 9.361 1.00 0.00 C ATOM 1075 HA PHE A 68 8.563 -1.164 7.225 1.00 0.00 H ATOM 1076 HB2 PHE A 68 7.394 0.724 6.997 1.00 0.00 H ATOM 1077 HB3 PHE A 68 6.387 0.006 5.717 1.00 0.00 H ATOM 1078 HD2 PHE A 68 6.448 1.285 9.047 1.00 0.00 H ATOM 1079 HE2 PHE A 68 4.495 1.337 10.553 1.00 0.00 H ATOM 1080 HZ PHE A 68 2.490 -0.011 10.027 1.00 0.00 H ATOM 1081 HE1 PHE A 68 2.446 -1.410 7.988 1.00 0.00 H ATOM 1082 HD1 PHE A 68 4.397 -1.455 6.482 1.00 0.00 H ATOM 1083 H PHE A 68 7.139 -1.616 4.694 1.00 0.00 H ATOM 1084 N GLU A 69 5.960 -3.168 7.134 1.00 0.00 N ATOM 1085 CA GLU A 69 5.245 -4.202 7.872 1.00 0.00 C ATOM 1086 C GLU A 69 4.347 -5.013 6.946 1.00 0.00 C ATOM 1087 O GLU A 69 3.973 -4.554 5.874 1.00 0.00 O ATOM 1088 CB GLU A 69 4.410 -3.574 8.989 1.00 0.00 C ATOM 1089 CG GLU A 69 4.341 -4.422 10.248 1.00 0.00 C ATOM 1090 CD GLU A 69 2.974 -4.384 10.903 1.00 0.00 C ATOM 1091 OE1 GLU A 69 2.238 -3.398 10.683 1.00 0.00 O ATOM 1092 OE2 GLU A 69 2.639 -5.339 11.634 1.00 0.00 O ATOM 1093 HA GLU A 69 5.982 -4.874 8.311 1.00 0.00 H ATOM 1094 HB2 GLU A 69 4.848 -2.610 9.246 1.00 0.00 H ATOM 1095 HB3 GLU A 69 3.396 -3.424 8.619 1.00 0.00 H ATOM 1096 HG2 GLU A 69 4.575 -5.454 9.987 1.00 0.00 H ATOM 1097 HG3 GLU A 69 5.080 -4.052 10.959 1.00 0.00 H ATOM 1098 H GLU A 69 5.711 -2.991 6.140 1.00 0.00 H ATOM 1099 N LYS A 70 3.999 -6.220 7.365 1.00 0.00 N ATOM 1100 CA LYS A 70 3.135 -7.084 6.573 1.00 0.00 C ATOM 1101 C LYS A 70 2.213 -7.865 7.503 1.00 0.00 C ATOM 1102 O LYS A 70 2.671 -8.420 8.502 1.00 0.00 O ATOM 1103 CB LYS A 70 3.969 -8.046 5.724 1.00 0.00 C ATOM 1104 CG LYS A 70 4.967 -8.860 6.531 1.00 0.00 C ATOM 1105 CD LYS A 70 4.407 -10.225 6.898 1.00 0.00 C ATOM 1106 CE LYS A 70 4.479 -11.190 5.726 1.00 0.00 C ATOM 1107 NZ LYS A 70 5.873 -11.640 5.460 1.00 0.00 N ATOM 1108 HA LYS A 70 2.536 -6.470 5.901 1.00 0.00 H ATOM 1109 HB2 LYS A 70 3.292 -8.734 5.217 1.00 0.00 H ATOM 1110 HB3 LYS A 70 4.517 -7.465 4.982 1.00 0.00 H ATOM 1111 HG2 LYS A 70 5.873 -8.996 5.941 1.00 0.00 H ATOM 1112 HG3 LYS A 70 5.209 -8.319 7.446 1.00 0.00 H ATOM 1113 HD2 LYS A 70 4.983 -10.633 7.729 1.00 0.00 H ATOM 1114 HD3 LYS A 70 3.366 -10.111 7.200 1.00 0.00 H ATOM 1115 HE2 LYS A 70 4.093 -10.693 4.836 1.00 0.00 H ATOM 1116 HE3 LYS A 70 3.864 -12.062 5.949 1.00 0.00 H ATOM 1117 HZ1 LYS A 70 6.466 -10.815 5.239 1.00 0.00 H ATOM 1118 HZ2 LYS A 70 6.247 -12.122 6.302 1.00 0.00 H ATOM 1119 HZ3 LYS A 70 5.876 -12.296 4.653 1.00 0.00 H ATOM 1120 H LYS A 70 4.352 -6.559 8.283 1.00 0.00 H ATOM 1121 N LEU A 71 0.918 -7.909 7.197 1.00 0.00 N ATOM 1122 CA LEU A 71 -0.011 -8.628 8.048 1.00 0.00 C ATOM 1123 C LEU A 71 -0.312 -10.026 7.510 1.00 0.00 C ATOM 1124 O LEU A 71 -0.857 -10.195 6.419 1.00 0.00 O ATOM 1125 CB LEU A 71 -1.311 -7.831 8.187 1.00 0.00 C ATOM 1126 CG LEU A 71 -2.456 -8.581 8.868 1.00 0.00 C ATOM 1127 CD1 LEU A 71 -2.804 -7.938 10.203 1.00 0.00 C ATOM 1128 CD2 LEU A 71 -3.677 -8.637 7.962 1.00 0.00 C ATOM 1129 HA LEU A 71 0.457 -8.745 9.026 1.00 0.00 H ATOM 1130 HB2 LEU A 71 -1.099 -6.935 8.770 1.00 0.00 H ATOM 1131 HB3 LEU A 71 -1.641 -7.543 7.189 1.00 0.00 H ATOM 1132 HG LEU A 71 -2.127 -9.602 9.059 1.00 0.00 H ATOM 1133 HD21 LEU A 71 -4.006 -7.623 7.734 1.00 0.00 H ATOM 1134 HD22 LEU A 71 -3.418 -9.153 7.037 1.00 0.00 H ATOM 1135 HD23 LEU A 71 -4.479 -9.175 8.468 1.00 0.00 H ATOM 1136 HD11 LEU A 71 -1.931 -7.962 10.855 1.00 0.00 H ATOM 1137 HD12 LEU A 71 -3.109 -6.904 10.039 1.00 0.00 H ATOM 1138 HD13 LEU A 71 -3.621 -8.489 10.668 1.00 0.00 H ATOM 1139 H LEU A 71 0.571 -7.426 6.344 1.00 0.00 H ATOM 1140 N GLU A 72 0.092 -11.016 8.292 1.00 0.00 N ATOM 1141 CA GLU A 72 -0.080 -12.404 7.914 1.00 0.00 C ATOM 1142 C GLU A 72 -1.051 -13.127 8.843 1.00 0.00 C ATOM 1143 O GLU A 72 -0.739 -13.419 9.998 1.00 0.00 O ATOM 1144 CB GLU A 72 1.278 -13.101 7.914 1.00 0.00 C ATOM 1145 CG GLU A 72 1.181 -14.592 7.696 1.00 0.00 C ATOM 1146 CD GLU A 72 2.529 -15.283 7.740 1.00 0.00 C ATOM 1147 OE1 GLU A 72 3.478 -14.697 8.303 1.00 0.00 O ATOM 1148 OE2 GLU A 72 2.637 -16.409 7.211 1.00 0.00 O ATOM 1149 HA GLU A 72 -0.509 -12.436 6.912 1.00 0.00 H ATOM 1150 HB2 GLU A 72 1.887 -12.673 7.118 1.00 0.00 H ATOM 1151 HB3 GLU A 72 1.760 -12.922 8.875 1.00 0.00 H ATOM 1152 HG2 GLU A 72 0.546 -15.017 8.474 1.00 0.00 H ATOM 1153 HG3 GLU A 72 0.729 -14.773 6.721 1.00 0.00 H ATOM 1154 H GLU A 72 0.544 -10.791 9.201 1.00 0.00 H ATOM 1155 N TYR A 73 -2.230 -13.423 8.302 1.00 0.00 N ATOM 1156 CA TYR A 73 -3.277 -14.129 9.030 1.00 0.00 C ATOM 1157 C TYR A 73 -4.002 -15.095 8.097 1.00 0.00 C ATOM 1158 O TYR A 73 -4.309 -14.746 6.956 1.00 0.00 O ATOM 1159 CB TYR A 73 -4.271 -13.136 9.635 1.00 0.00 C ATOM 1160 CG TYR A 73 -5.125 -13.726 10.734 1.00 0.00 C ATOM 1161 CD1 TYR A 73 -4.656 -13.800 12.040 1.00 0.00 C ATOM 1162 CD2 TYR A 73 -6.400 -14.208 10.467 1.00 0.00 C ATOM 1163 CE1 TYR A 73 -5.434 -14.338 13.048 1.00 0.00 C ATOM 1164 CE2 TYR A 73 -7.183 -14.747 11.469 1.00 0.00 C ATOM 1165 CZ TYR A 73 -6.696 -14.810 12.757 1.00 0.00 C ATOM 1166 OH TYR A 73 -7.473 -15.346 13.758 1.00 0.00 O ATOM 1167 HA TYR A 73 -2.817 -14.696 9.840 1.00 0.00 H ATOM 1168 HB3 TYR A 73 -4.928 -12.780 8.842 1.00 0.00 H ATOM 1169 HB2 TYR A 73 -3.712 -12.296 10.047 1.00 0.00 H ATOM 1170 HD2 TYR A 73 -6.789 -14.160 9.450 1.00 0.00 H ATOM 1171 HE2 TYR A 73 -8.181 -15.121 11.242 1.00 0.00 H ATOM 1172 HE1 TYR A 73 -5.052 -14.389 14.067 1.00 0.00 H ATOM 1173 HD1 TYR A 73 -3.658 -13.428 12.273 1.00 0.00 H ATOM 1174 HH TYR A 73 -6.975 -15.314 14.613 1.00 0.00 H ATOM 1175 H TYR A 73 -2.412 -13.139 7.318 1.00 0.00 H ATOM 1176 N GLU A 74 -4.276 -16.304 8.573 1.00 0.00 N ATOM 1177 CA GLU A 74 -4.967 -17.296 7.751 1.00 0.00 C ATOM 1178 C GLU A 74 -6.318 -17.671 8.343 1.00 0.00 C ATOM 1179 O GLU A 74 -6.413 -18.119 9.486 1.00 0.00 O ATOM 1180 CB GLU A 74 -4.117 -18.556 7.558 1.00 0.00 C ATOM 1181 CG GLU A 74 -3.305 -18.950 8.780 1.00 0.00 C ATOM 1182 CD GLU A 74 -2.053 -19.727 8.422 1.00 0.00 C ATOM 1183 OE1 GLU A 74 -1.344 -19.311 7.482 1.00 0.00 O ATOM 1184 OE2 GLU A 74 -1.783 -20.753 9.082 1.00 0.00 O ATOM 1185 HA GLU A 74 -5.132 -16.835 6.777 1.00 0.00 H ATOM 1186 HB2 GLU A 74 -4.782 -19.383 7.307 1.00 0.00 H ATOM 1187 HB3 GLU A 74 -3.429 -18.381 6.731 1.00 0.00 H ATOM 1188 HG2 GLU A 74 -3.014 -18.045 9.313 1.00 0.00 H ATOM 1189 HG3 GLU A 74 -3.926 -19.568 9.428 1.00 0.00 H ATOM 1190 H GLU A 74 -3.995 -16.549 9.544 1.00 0.00 H ATOM 1191 N PHE A 75 -7.357 -17.489 7.540 1.00 0.00 N ATOM 1192 CA PHE A 75 -8.715 -17.804 7.938 1.00 0.00 C ATOM 1193 C PHE A 75 -9.088 -19.210 7.467 1.00 0.00 C ATOM 1194 O PHE A 75 -8.416 -19.772 6.605 1.00 0.00 O ATOM 1195 CB PHE A 75 -9.676 -16.771 7.350 1.00 0.00 C ATOM 1196 CG PHE A 75 -10.044 -15.655 8.294 1.00 0.00 C ATOM 1197 CD1 PHE A 75 -10.212 -15.889 9.652 1.00 0.00 C ATOM 1198 CD2 PHE A 75 -10.221 -14.366 7.816 1.00 0.00 C ATOM 1199 CE1 PHE A 75 -10.549 -14.859 10.510 1.00 0.00 C ATOM 1200 CE2 PHE A 75 -10.559 -13.334 8.670 1.00 0.00 C ATOM 1201 CZ PHE A 75 -10.723 -13.581 10.018 1.00 0.00 C ATOM 1202 HA PHE A 75 -8.787 -17.774 9.025 1.00 0.00 H ATOM 1203 HB2 PHE A 75 -9.208 -16.332 6.469 1.00 0.00 H ATOM 1204 HB3 PHE A 75 -10.591 -17.285 7.056 1.00 0.00 H ATOM 1205 HD2 PHE A 75 -10.092 -14.164 6.753 1.00 0.00 H ATOM 1206 HE2 PHE A 75 -10.696 -12.326 8.280 1.00 0.00 H ATOM 1207 HZ PHE A 75 -10.990 -12.768 10.693 1.00 0.00 H ATOM 1208 HE1 PHE A 75 -10.677 -15.056 11.574 1.00 0.00 H ATOM 1209 HD1 PHE A 75 -10.077 -16.896 10.046 1.00 0.00 H ATOM 1210 H PHE A 75 -7.191 -17.105 6.588 1.00 0.00 H ATOM 1211 N PRO A 76 -10.162 -19.795 8.035 1.00 0.00 N ATOM 1212 CA PRO A 76 -10.642 -21.135 7.699 1.00 0.00 C ATOM 1213 C PRO A 76 -10.461 -21.492 6.226 1.00 0.00 C ATOM 1214 O PRO A 76 -11.400 -21.414 5.432 1.00 0.00 O ATOM 1215 CB PRO A 76 -12.136 -21.085 8.066 1.00 0.00 C ATOM 1216 CG PRO A 76 -12.361 -19.764 8.742 1.00 0.00 C ATOM 1217 CD PRO A 76 -11.005 -19.195 9.057 1.00 0.00 C ATOM 1218 HA PRO A 76 -10.080 -21.902 8.232 1.00 0.00 H ATOM 1219 HD3 PRO A 76 -11.006 -18.108 8.978 1.00 0.00 H ATOM 1220 HD2 PRO A 76 -10.679 -19.485 10.056 1.00 0.00 H ATOM 1221 HG3 PRO A 76 -12.931 -19.905 9.660 1.00 0.00 H ATOM 1222 HG2 PRO A 76 -12.905 -19.091 8.079 1.00 0.00 H ATOM 1223 HB2 PRO A 76 -12.748 -21.158 7.167 1.00 0.00 H ATOM 1224 HB3 PRO A 76 -12.386 -21.903 8.742 1.00 0.00 H ATOM 1225 N ASP A 77 -9.239 -21.888 5.884 1.00 0.00 N ATOM 1226 CA ASP A 77 -8.880 -22.280 4.517 1.00 0.00 C ATOM 1227 C ASP A 77 -8.447 -21.077 3.683 1.00 0.00 C ATOM 1228 O ASP A 77 -7.421 -21.120 3.005 1.00 0.00 O ATOM 1229 CB ASP A 77 -10.043 -23.002 3.825 1.00 0.00 C ATOM 1230 CG ASP A 77 -9.568 -24.014 2.802 1.00 0.00 C ATOM 1231 OD1 ASP A 77 -9.362 -25.187 3.179 1.00 0.00 O ATOM 1232 OD2 ASP A 77 -9.402 -23.635 1.624 1.00 0.00 O ATOM 1233 HA ASP A 77 -8.036 -22.966 4.594 1.00 0.00 H ATOM 1234 HB2 ASP A 77 -10.634 -23.519 4.581 1.00 0.00 H ATOM 1235 HB3 ASP A 77 -10.666 -22.262 3.323 1.00 0.00 H ATOM 1236 H ASP A 77 -8.504 -21.921 6.619 1.00 0.00 H ATOM 1237 N ARG A 78 -9.233 -20.008 3.732 1.00 0.00 N ATOM 1238 CA ARG A 78 -8.924 -18.801 2.974 1.00 0.00 C ATOM 1239 C ARG A 78 -7.980 -17.891 3.754 1.00 0.00 C ATOM 1240 O ARG A 78 -8.403 -17.180 4.664 1.00 0.00 O ATOM 1241 CB ARG A 78 -10.211 -18.048 2.630 1.00 0.00 C ATOM 1242 CG ARG A 78 -10.209 -17.448 1.233 1.00 0.00 C ATOM 1243 CD ARG A 78 -11.597 -16.984 0.821 1.00 0.00 C ATOM 1244 NE ARG A 78 -12.075 -15.878 1.648 1.00 0.00 N ATOM 1245 CZ ARG A 78 -12.820 -16.031 2.743 1.00 0.00 C ATOM 1246 NH1 ARG A 78 -13.174 -17.242 3.155 1.00 0.00 N ATOM 1247 NH2 ARG A 78 -13.210 -14.966 3.430 1.00 0.00 N ATOM 1248 HA ARG A 78 -8.427 -19.100 2.051 1.00 0.00 H ATOM 1249 HB2 ARG A 78 -11.048 -18.742 2.706 1.00 0.00 H ATOM 1250 HB3 ARG A 78 -10.343 -17.242 3.352 1.00 0.00 H ATOM 1251 HG2 ARG A 78 -9.531 -16.595 1.215 1.00 0.00 H ATOM 1252 HG3 ARG A 78 -9.863 -18.201 0.525 1.00 0.00 H ATOM 1253 HD2 ARG A 78 -12.290 -17.820 0.917 1.00 0.00 H ATOM 1254 HD3 ARG A 78 -11.565 -16.658 -0.218 1.00 0.00 H ATOM 1255 HE ARG A 78 -11.818 -14.911 1.365 1.00 0.00 H ATOM 1256 HH12 ARG A 78 -13.755 -17.351 4.010 1.00 0.00 H ATOM 1257 HH11 ARG A 78 -12.870 -18.082 2.622 1.00 0.00 H ATOM 1258 HH22 ARG A 78 -13.791 -15.083 4.285 1.00 0.00 H ATOM 1259 HH21 ARG A 78 -12.935 -14.014 3.114 1.00 0.00 H ATOM 1260 H ARG A 78 -10.088 -20.032 4.324 1.00 0.00 H ATOM 1261 N HIS A 79 -6.700 -17.917 3.393 1.00 0.00 N ATOM 1262 CA HIS A 79 -5.699 -17.096 4.060 1.00 0.00 C ATOM 1263 C HIS A 79 -5.508 -15.768 3.331 1.00 0.00 C ATOM 1264 O HIS A 79 -5.747 -15.667 2.127 1.00 0.00 O ATOM 1265 CB HIS A 79 -4.372 -17.866 4.144 1.00 0.00 C ATOM 1266 CG HIS A 79 -3.158 -16.997 4.279 1.00 0.00 C ATOM 1267 ND1 HIS A 79 -2.379 -16.623 3.204 1.00 0.00 N ATOM 1268 CD2 HIS A 79 -2.587 -16.431 5.369 1.00 0.00 C ATOM 1269 CE1 HIS A 79 -1.382 -15.867 3.626 1.00 0.00 C ATOM 1270 NE2 HIS A 79 -1.486 -15.734 4.935 1.00 0.00 N ATOM 1271 HA HIS A 79 -6.044 -16.872 5.069 1.00 0.00 H ATOM 1272 HB2 HIS A 79 -4.416 -18.527 5.009 1.00 0.00 H ATOM 1273 HB3 HIS A 79 -4.266 -18.462 3.238 1.00 0.00 H ATOM 1274 HD2 HIS A 79 -2.936 -16.513 6.398 1.00 0.00 H ATOM 1275 HE1 HIS A 79 -0.605 -15.428 3.000 1.00 0.00 H ATOM 1276 H HIS A 79 -6.406 -18.540 2.614 1.00 0.00 H ATOM 1277 N ILE A 80 -5.067 -14.756 4.070 1.00 0.00 N ATOM 1278 CA ILE A 80 -4.829 -13.437 3.511 1.00 0.00 C ATOM 1279 C ILE A 80 -3.424 -12.967 3.876 1.00 0.00 C ATOM 1280 O ILE A 80 -2.940 -13.236 4.976 1.00 0.00 O ATOM 1281 CB ILE A 80 -5.872 -12.416 4.020 1.00 0.00 C ATOM 1282 CG1 ILE A 80 -5.396 -10.987 3.767 1.00 0.00 C ATOM 1283 CG2 ILE A 80 -6.149 -12.628 5.502 1.00 0.00 C ATOM 1284 CD1 ILE A 80 -6.523 -9.992 3.594 1.00 0.00 C ATOM 1285 HA ILE A 80 -4.922 -13.506 2.427 1.00 0.00 H ATOM 1286 HB ILE A 80 -6.799 -12.573 3.469 1.00 0.00 H ATOM 1287 HG12 ILE A 80 -4.786 -10.672 4.614 1.00 0.00 H ATOM 1288 HG13 ILE A 80 -4.789 -10.981 2.861 1.00 0.00 H ATOM 1289 HD11 ILE A 80 -7.138 -10.285 2.743 1.00 0.00 H ATOM 1290 HD12 ILE A 80 -7.134 -9.976 4.497 1.00 0.00 H ATOM 1291 HD13 ILE A 80 -6.107 -9.000 3.418 1.00 0.00 H ATOM 1292 HG21 ILE A 80 -6.535 -13.636 5.658 1.00 0.00 H ATOM 1293 HG22 ILE A 80 -5.224 -12.500 6.065 1.00 0.00 H ATOM 1294 HG23 ILE A 80 -6.886 -11.899 5.840 1.00 0.00 H ATOM 1295 H ILE A 80 -4.886 -14.913 5.082 1.00 0.00 H ATOM 1296 N THR A 81 -2.770 -12.266 2.957 1.00 0.00 N ATOM 1297 CA THR A 81 -1.425 -11.769 3.200 1.00 0.00 C ATOM 1298 C THR A 81 -1.296 -10.315 2.752 1.00 0.00 C ATOM 1299 O THR A 81 -1.466 -10.007 1.574 1.00 0.00 O ATOM 1300 CB THR A 81 -0.411 -12.636 2.452 1.00 0.00 C ATOM 1301 OG1 THR A 81 -1.067 -13.658 1.718 1.00 0.00 O ATOM 1302 CG2 THR A 81 0.596 -13.301 3.360 1.00 0.00 C ATOM 1303 HA THR A 81 -1.225 -11.818 4.270 1.00 0.00 H ATOM 1304 HB THR A 81 0.118 -11.950 1.790 1.00 0.00 H ATOM 1305 HG1 THR A 81 -1.683 -13.247 1.061 1.00 0.00 H ATOM 1306 HG23 THR A 81 1.119 -12.540 3.940 1.00 0.00 H ATOM 1307 HG21 THR A 81 0.080 -13.983 4.035 1.00 0.00 H ATOM 1308 HG22 THR A 81 1.314 -13.858 2.758 1.00 0.00 H ATOM 1309 H THR A 81 -3.229 -12.068 2.045 1.00 0.00 H ATOM 1310 N LEU A 82 -0.995 -9.425 3.690 1.00 0.00 N ATOM 1311 CA LEU A 82 -0.845 -8.009 3.367 1.00 0.00 C ATOM 1312 C LEU A 82 0.583 -7.539 3.622 1.00 0.00 C ATOM 1313 O LEU A 82 1.041 -7.516 4.758 1.00 0.00 O ATOM 1314 CB LEU A 82 -1.821 -7.170 4.195 1.00 0.00 C ATOM 1315 CG LEU A 82 -3.275 -7.214 3.722 1.00 0.00 C ATOM 1316 CD1 LEU A 82 -4.224 -7.060 4.901 1.00 0.00 C ATOM 1317 CD2 LEU A 82 -3.531 -6.130 2.686 1.00 0.00 C ATOM 1318 HA LEU A 82 -1.068 -7.880 2.308 1.00 0.00 H ATOM 1319 HB2 LEU A 82 -1.789 -7.530 5.223 1.00 0.00 H ATOM 1320 HB3 LEU A 82 -1.486 -6.133 4.164 1.00 0.00 H ATOM 1321 HG LEU A 82 -3.457 -8.183 3.258 1.00 0.00 H ATOM 1322 HD21 LEU A 82 -3.331 -5.153 3.127 1.00 0.00 H ATOM 1323 HD22 LEU A 82 -2.875 -6.285 1.830 1.00 0.00 H ATOM 1324 HD23 LEU A 82 -4.571 -6.177 2.362 1.00 0.00 H ATOM 1325 HD11 LEU A 82 -4.057 -7.872 5.609 1.00 0.00 H ATOM 1326 HD12 LEU A 82 -4.040 -6.104 5.392 1.00 0.00 H ATOM 1327 HD13 LEU A 82 -5.253 -7.094 4.544 1.00 0.00 H ATOM 1328 H LEU A 82 -0.864 -9.742 4.672 1.00 0.00 H ATOM 1329 N TRP A 83 1.286 -7.165 2.558 1.00 0.00 N ATOM 1330 CA TRP A 83 2.663 -6.698 2.683 1.00 0.00 C ATOM 1331 C TRP A 83 2.751 -5.194 2.461 1.00 0.00 C ATOM 1332 O TRP A 83 2.363 -4.691 1.408 1.00 0.00 O ATOM 1333 CB TRP A 83 3.567 -7.415 1.678 1.00 0.00 C ATOM 1334 CG TRP A 83 3.691 -8.884 1.930 1.00 0.00 C ATOM 1335 CD1 TRP A 83 2.734 -9.708 2.442 1.00 0.00 C ATOM 1336 CD2 TRP A 83 4.838 -9.706 1.682 1.00 0.00 C ATOM 1337 NE1 TRP A 83 3.209 -10.990 2.525 1.00 0.00 N ATOM 1338 CE2 TRP A 83 4.500 -11.017 2.066 1.00 0.00 C ATOM 1339 CE3 TRP A 83 6.116 -9.461 1.171 1.00 0.00 C ATOM 1340 CZ2 TRP A 83 5.394 -12.079 1.956 1.00 0.00 C ATOM 1341 CZ3 TRP A 83 7.003 -10.516 1.063 1.00 0.00 C ATOM 1342 CH2 TRP A 83 6.638 -11.811 1.454 1.00 0.00 C ATOM 1343 HA TRP A 83 2.999 -6.925 3.695 1.00 0.00 H ATOM 1344 HB2 TRP A 83 3.156 -7.269 0.679 1.00 0.00 H ATOM 1345 HB3 TRP A 83 4.561 -6.971 1.729 1.00 0.00 H ATOM 1346 HE1 TRP A 83 2.676 -11.810 2.879 1.00 0.00 H ATOM 1347 HD1 TRP A 83 1.735 -9.392 2.742 1.00 0.00 H ATOM 1348 HZ2 TRP A 83 5.113 -13.088 2.259 1.00 0.00 H ATOM 1349 HH2 TRP A 83 7.360 -12.622 1.356 1.00 0.00 H ATOM 1350 HZ3 TRP A 83 8.003 -10.337 0.667 1.00 0.00 H ATOM 1351 HE3 TRP A 83 6.408 -8.457 0.863 1.00 0.00 H ATOM 1352 H TRP A 83 0.846 -7.206 1.617 1.00 0.00 H ATOM 1353 N PHE A 84 3.283 -4.481 3.448 1.00 0.00 N ATOM 1354 CA PHE A 84 3.438 -3.034 3.337 1.00 0.00 C ATOM 1355 C PHE A 84 4.886 -2.691 2.978 1.00 0.00 C ATOM 1356 O PHE A 84 5.820 -3.180 3.612 1.00 0.00 O ATOM 1357 CB PHE A 84 3.029 -2.316 4.636 1.00 0.00 C ATOM 1358 CG PHE A 84 1.541 -2.275 4.891 1.00 0.00 C ATOM 1359 CD1 PHE A 84 0.714 -3.306 4.468 1.00 0.00 C ATOM 1360 CD2 PHE A 84 0.967 -1.200 5.562 1.00 0.00 C ATOM 1361 CE1 PHE A 84 -0.646 -3.267 4.705 1.00 0.00 C ATOM 1362 CE2 PHE A 84 -0.393 -1.159 5.800 1.00 0.00 C ATOM 1363 CZ PHE A 84 -1.200 -2.193 5.372 1.00 0.00 C ATOM 1364 HA PHE A 84 2.775 -2.686 2.545 1.00 0.00 H ATOM 1365 HB2 PHE A 84 3.503 -2.830 5.472 1.00 0.00 H ATOM 1366 HB3 PHE A 84 3.394 -1.290 4.587 1.00 0.00 H ATOM 1367 HD2 PHE A 84 1.598 -0.380 5.904 1.00 0.00 H ATOM 1368 HE2 PHE A 84 -0.829 -0.310 6.326 1.00 0.00 H ATOM 1369 HZ PHE A 84 -2.273 -2.162 5.560 1.00 0.00 H ATOM 1370 HE1 PHE A 84 -1.282 -4.084 4.365 1.00 0.00 H ATOM 1371 HD1 PHE A 84 1.144 -4.158 3.942 1.00 0.00 H ATOM 1372 H PHE A 84 3.595 -4.963 4.315 1.00 0.00 H ATOM 1373 N TRP A 85 5.070 -1.854 1.958 1.00 0.00 N ATOM 1374 CA TRP A 85 6.410 -1.459 1.524 1.00 0.00 C ATOM 1375 C TRP A 85 6.711 -0.019 1.930 1.00 0.00 C ATOM 1376 O TRP A 85 5.983 0.899 1.552 1.00 0.00 O ATOM 1377 CB TRP A 85 6.544 -1.618 0.010 1.00 0.00 C ATOM 1378 CG TRP A 85 6.377 -3.034 -0.448 1.00 0.00 C ATOM 1379 CD1 TRP A 85 5.200 -3.700 -0.632 1.00 0.00 C ATOM 1380 CD2 TRP A 85 7.419 -3.960 -0.773 1.00 0.00 C ATOM 1381 NE1 TRP A 85 5.447 -4.984 -1.053 1.00 0.00 N ATOM 1382 CE2 TRP A 85 6.802 -5.168 -1.148 1.00 0.00 C ATOM 1383 CE3 TRP A 85 8.815 -3.885 -0.785 1.00 0.00 C ATOM 1384 CZ2 TRP A 85 7.532 -6.291 -1.529 1.00 0.00 C ATOM 1385 CZ3 TRP A 85 9.539 -5.000 -1.164 1.00 0.00 C ATOM 1386 CH2 TRP A 85 8.896 -6.189 -1.532 1.00 0.00 C ATOM 1387 HA TRP A 85 7.133 -2.111 2.014 1.00 0.00 H ATOM 1388 HB2 TRP A 85 5.783 -1.005 -0.472 1.00 0.00 H ATOM 1389 HB3 TRP A 85 7.533 -1.270 -0.290 1.00 0.00 H ATOM 1390 HE1 TRP A 85 4.723 -5.700 -1.265 1.00 0.00 H ATOM 1391 HD1 TRP A 85 4.209 -3.275 -0.469 1.00 0.00 H ATOM 1392 HZ2 TRP A 85 7.034 -7.218 -1.815 1.00 0.00 H ATOM 1393 HH2 TRP A 85 9.495 -7.051 -1.827 1.00 0.00 H ATOM 1394 HZ3 TRP A 85 10.628 -4.953 -1.177 1.00 0.00 H ATOM 1395 HE3 TRP A 85 9.323 -2.964 -0.501 1.00 0.00 H ATOM 1396 H TRP A 85 4.241 -1.472 1.459 1.00 0.00 H ATOM 1397 N LEU A 86 7.758 0.178 2.736 1.00 0.00 N ATOM 1398 CA LEU A 86 8.076 1.524 3.204 1.00 0.00 C ATOM 1399 C LEU A 86 8.810 2.354 2.146 1.00 0.00 C ATOM 1400 O LEU A 86 10.022 2.251 1.978 1.00 0.00 O ATOM 1401 CB LEU A 86 8.926 1.442 4.471 1.00 0.00 C ATOM 1402 CG LEU A 86 8.901 2.694 5.351 1.00 0.00 C ATOM 1403 CD1 LEU A 86 9.509 3.877 4.615 1.00 0.00 C ATOM 1404 CD2 LEU A 86 7.477 3.009 5.791 1.00 0.00 C ATOM 1405 HA LEU A 86 7.131 2.025 3.414 1.00 0.00 H ATOM 1406 HB2 LEU A 86 8.565 0.603 5.066 1.00 0.00 H ATOM 1407 HB3 LEU A 86 9.959 1.258 4.174 1.00 0.00 H ATOM 1408 HG LEU A 86 9.500 2.501 6.241 1.00 0.00 H ATOM 1409 HD21 LEU A 86 6.856 3.181 4.912 1.00 0.00 H ATOM 1410 HD22 LEU A 86 7.079 2.168 6.359 1.00 0.00 H ATOM 1411 HD23 LEU A 86 7.480 3.902 6.416 1.00 0.00 H ATOM 1412 HD11 LEU A 86 10.542 3.649 4.354 1.00 0.00 H ATOM 1413 HD12 LEU A 86 8.938 4.071 3.707 1.00 0.00 H ATOM 1414 HD13 LEU A 86 9.481 4.757 5.258 1.00 0.00 H ATOM 1415 H LEU A 86 8.347 -0.627 3.030 1.00 0.00 H ATOM 1416 N VAL A 87 8.040 3.185 1.454 1.00 0.00 N ATOM 1417 CA VAL A 87 8.545 4.066 0.397 1.00 0.00 C ATOM 1418 C VAL A 87 9.334 5.224 0.950 1.00 0.00 C ATOM 1419 O VAL A 87 9.052 5.714 2.044 1.00 0.00 O ATOM 1420 CB VAL A 87 7.414 4.633 -0.447 1.00 0.00 C ATOM 1421 CG1 VAL A 87 7.949 5.350 -1.677 1.00 0.00 C ATOM 1422 CG2 VAL A 87 6.456 3.520 -0.829 1.00 0.00 C ATOM 1423 HA VAL A 87 9.195 3.443 -0.217 1.00 0.00 H ATOM 1424 HB VAL A 87 6.873 5.373 0.142 1.00 0.00 H ATOM 1425 HG11 VAL A 87 8.595 6.171 -1.365 1.00 0.00 H ATOM 1426 HG12 VAL A 87 8.519 4.648 -2.286 1.00 0.00 H ATOM 1427 HG13 VAL A 87 7.115 5.743 -2.258 1.00 0.00 H ATOM 1428 HG21 VAL A 87 6.991 2.762 -1.402 1.00 0.00 H ATOM 1429 HG22 VAL A 87 6.044 3.071 0.075 1.00 0.00 H ATOM 1430 HG23 VAL A 87 5.647 3.930 -1.434 1.00 0.00 H ATOM 1431 H VAL A 87 7.024 3.212 1.674 1.00 0.00 H ATOM 1432 N GLU A 88 10.339 5.649 0.200 1.00 0.00 N ATOM 1433 CA GLU A 88 11.167 6.748 0.655 1.00 0.00 C ATOM 1434 C GLU A 88 11.017 8.033 -0.173 1.00 0.00 C ATOM 1435 O GLU A 88 11.152 9.127 0.376 1.00 0.00 O ATOM 1436 CB GLU A 88 12.638 6.329 0.703 1.00 0.00 C ATOM 1437 CG GLU A 88 12.850 4.871 1.078 1.00 0.00 C ATOM 1438 CD GLU A 88 14.316 4.510 1.215 1.00 0.00 C ATOM 1439 OE1 GLU A 88 15.021 4.491 0.184 1.00 0.00 O ATOM 1440 OE2 GLU A 88 14.759 4.246 2.353 1.00 0.00 O ATOM 1441 HA GLU A 88 10.811 6.986 1.657 1.00 0.00 H ATOM 1442 HB2 GLU A 88 13.076 6.498 -0.281 1.00 0.00 H ATOM 1443 HB3 GLU A 88 13.149 6.951 1.438 1.00 0.00 H ATOM 1444 HG2 GLU A 88 12.353 4.679 2.029 1.00 0.00 H ATOM 1445 HG3 GLU A 88 12.407 4.244 0.305 1.00 0.00 H ATOM 1446 H GLU A 88 10.534 5.195 -0.715 1.00 0.00 H ATOM 1447 N ARG A 89 10.765 7.933 -1.481 1.00 0.00 N ATOM 1448 CA ARG A 89 10.643 9.142 -2.299 1.00 0.00 C ATOM 1449 C ARG A 89 9.963 8.857 -3.636 1.00 0.00 C ATOM 1450 O ARG A 89 9.859 7.705 -4.054 1.00 0.00 O ATOM 1451 CB ARG A 89 12.040 9.768 -2.493 1.00 0.00 C ATOM 1452 CG ARG A 89 12.325 10.339 -3.881 1.00 0.00 C ATOM 1453 CD ARG A 89 11.862 11.783 -3.998 1.00 0.00 C ATOM 1454 NE ARG A 89 12.984 12.720 -3.992 1.00 0.00 N ATOM 1455 CZ ARG A 89 13.767 12.945 -5.045 1.00 0.00 C ATOM 1456 NH1 ARG A 89 13.555 12.305 -6.188 1.00 0.00 N ATOM 1457 NH2 ARG A 89 14.764 13.815 -4.955 1.00 0.00 N ATOM 1458 HA ARG A 89 10.004 9.855 -1.778 1.00 0.00 H ATOM 1459 HB2 ARG A 89 12.148 10.576 -1.770 1.00 0.00 H ATOM 1460 HB3 ARG A 89 12.783 8.998 -2.289 1.00 0.00 H ATOM 1461 HG2 ARG A 89 13.398 10.295 -4.069 1.00 0.00 H ATOM 1462 HG3 ARG A 89 11.802 9.738 -4.625 1.00 0.00 H ATOM 1463 HD2 ARG A 89 11.207 12.012 -3.157 1.00 0.00 H ATOM 1464 HD3 ARG A 89 11.309 11.901 -4.930 1.00 0.00 H ATOM 1465 HE ARG A 89 13.182 13.241 -3.114 1.00 0.00 H ATOM 1466 HH12 ARG A 89 14.170 12.485 -7.007 1.00 0.00 H ATOM 1467 HH11 ARG A 89 12.774 11.623 -6.265 1.00 0.00 H ATOM 1468 HH22 ARG A 89 15.376 13.991 -5.777 1.00 0.00 H ATOM 1469 HH21 ARG A 89 14.934 14.321 -4.062 1.00 0.00 H ATOM 1470 H ARG A 89 10.655 6.996 -1.919 1.00 0.00 H ATOM 1471 N TRP A 90 9.527 9.920 -4.315 1.00 0.00 N ATOM 1472 CA TRP A 90 8.887 9.783 -5.618 1.00 0.00 C ATOM 1473 C TRP A 90 9.125 11.016 -6.487 1.00 0.00 C ATOM 1474 O TRP A 90 8.854 12.143 -6.072 1.00 0.00 O ATOM 1475 CB TRP A 90 7.388 9.496 -5.464 1.00 0.00 C ATOM 1476 CG TRP A 90 6.531 10.710 -5.275 1.00 0.00 C ATOM 1477 CD1 TRP A 90 6.200 11.640 -6.218 1.00 0.00 C ATOM 1478 CD2 TRP A 90 5.876 11.107 -4.070 1.00 0.00 C ATOM 1479 NE1 TRP A 90 5.379 12.595 -5.669 1.00 0.00 N ATOM 1480 CE2 TRP A 90 5.164 12.289 -4.351 1.00 0.00 C ATOM 1481 CE3 TRP A 90 5.823 10.577 -2.780 1.00 0.00 C ATOM 1482 CZ2 TRP A 90 4.406 12.948 -3.387 1.00 0.00 C ATOM 1483 CZ3 TRP A 90 5.070 11.232 -1.824 1.00 0.00 C ATOM 1484 CH2 TRP A 90 4.369 12.405 -2.132 1.00 0.00 C ATOM 1485 HA TRP A 90 9.343 8.932 -6.124 1.00 0.00 H ATOM 1486 HB2 TRP A 90 7.048 8.977 -6.360 1.00 0.00 H ATOM 1487 HB3 TRP A 90 7.254 8.848 -4.598 1.00 0.00 H ATOM 1488 HE1 TRP A 90 4.985 13.416 -6.172 1.00 0.00 H ATOM 1489 HD1 TRP A 90 6.538 11.627 -7.254 1.00 0.00 H ATOM 1490 HZ2 TRP A 90 3.862 13.863 -3.623 1.00 0.00 H ATOM 1491 HH2 TRP A 90 3.782 12.895 -1.355 1.00 0.00 H ATOM 1492 HZ3 TRP A 90 5.021 10.829 -0.813 1.00 0.00 H ATOM 1493 HE3 TRP A 90 6.365 9.664 -2.531 1.00 0.00 H ATOM 1494 H TRP A 90 9.647 10.868 -3.905 1.00 0.00 H ATOM 1495 N GLU A 91 9.641 10.792 -7.698 1.00 0.00 N ATOM 1496 CA GLU A 91 9.918 11.886 -8.622 1.00 0.00 C ATOM 1497 C GLU A 91 8.637 12.372 -9.292 1.00 0.00 C ATOM 1498 O GLU A 91 7.713 11.593 -9.526 1.00 0.00 O ATOM 1499 CB GLU A 91 10.925 11.440 -9.684 1.00 0.00 C ATOM 1500 CG GLU A 91 11.290 12.535 -10.674 1.00 0.00 C ATOM 1501 CD GLU A 91 11.907 13.746 -10.002 1.00 0.00 C ATOM 1502 OE1 GLU A 91 12.688 13.560 -9.045 1.00 0.00 O ATOM 1503 OE2 GLU A 91 11.611 14.880 -10.433 1.00 0.00 O ATOM 1504 HA GLU A 91 10.343 12.712 -8.051 1.00 0.00 H ATOM 1505 HB2 GLU A 91 11.835 11.113 -9.181 1.00 0.00 H ATOM 1506 HB3 GLU A 91 10.496 10.604 -10.237 1.00 0.00 H ATOM 1507 HG2 GLU A 91 12.004 12.133 -11.393 1.00 0.00 H ATOM 1508 HG3 GLU A 91 10.387 12.848 -11.197 1.00 0.00 H ATOM 1509 H GLU A 91 9.850 9.816 -7.989 1.00 0.00 H ATOM 1510 N GLY A 92 8.589 13.666 -9.596 1.00 0.00 N ATOM 1511 CA GLY A 92 7.416 14.235 -10.236 1.00 0.00 C ATOM 1512 C GLY A 92 6.153 14.023 -9.425 1.00 0.00 C ATOM 1513 O GLY A 92 6.094 14.387 -8.250 1.00 0.00 O ATOM 1514 HA3 GLY A 92 7.288 13.767 -11.212 1.00 0.00 H ATOM 1515 HA2 GLY A 92 7.573 15.306 -10.366 1.00 0.00 H ATOM 1516 H GLY A 92 9.400 14.277 -9.373 1.00 0.00 H ATOM 1517 N GLU A 93 5.142 13.432 -10.052 1.00 0.00 N ATOM 1518 CA GLU A 93 3.874 13.171 -9.380 1.00 0.00 C ATOM 1519 C GLU A 93 3.488 11.697 -9.502 1.00 0.00 C ATOM 1520 O GLU A 93 3.670 11.089 -10.557 1.00 0.00 O ATOM 1521 CB GLU A 93 2.770 14.050 -9.971 1.00 0.00 C ATOM 1522 CG GLU A 93 1.429 13.895 -9.272 1.00 0.00 C ATOM 1523 CD GLU A 93 0.411 14.920 -9.732 1.00 0.00 C ATOM 1524 OE1 GLU A 93 0.205 15.044 -10.958 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -0.180 15.600 -8.866 1.00 0.00 O ATOM 1526 HA GLU A 93 3.993 13.411 -8.324 1.00 0.00 H ATOM 1527 HB2 GLU A 93 3.081 15.092 -9.894 1.00 0.00 H ATOM 1528 HB3 GLU A 93 2.644 13.786 -11.021 1.00 0.00 H ATOM 1529 HG2 GLU A 93 1.040 12.898 -9.479 1.00 0.00 H ATOM 1530 HG3 GLU A 93 1.579 14.009 -8.198 1.00 0.00 H ATOM 1531 H GLU A 93 5.257 13.149 -11.046 1.00 0.00 H ATOM 1532 N PRO A 94 2.939 11.100 -8.427 1.00 0.00 N ATOM 1533 CA PRO A 94 2.520 9.699 -8.427 1.00 0.00 C ATOM 1534 C PRO A 94 1.211 9.515 -9.175 1.00 0.00 C ATOM 1535 O PRO A 94 0.237 10.219 -8.911 1.00 0.00 O ATOM 1536 CB PRO A 94 2.340 9.365 -6.934 1.00 0.00 C ATOM 1537 CG PRO A 94 2.792 10.579 -6.185 1.00 0.00 C ATOM 1538 CD PRO A 94 2.662 11.730 -7.136 1.00 0.00 C ATOM 1539 HA PRO A 94 3.242 9.052 -8.924 1.00 0.00 H ATOM 1540 HD3 PRO A 94 1.658 12.153 -7.110 1.00 0.00 H ATOM 1541 HD2 PRO A 94 3.389 12.511 -6.913 1.00 0.00 H ATOM 1542 HG3 PRO A 94 3.829 10.464 -5.870 1.00 0.00 H ATOM 1543 HG2 PRO A 94 2.163 10.739 -5.309 1.00 0.00 H ATOM 1544 HB2 PRO A 94 1.293 9.153 -6.716 1.00 0.00 H ATOM 1545 HB3 PRO A 94 2.949 8.503 -6.662 1.00 0.00 H ATOM 1546 N TRP A 95 1.184 8.575 -10.111 1.00 0.00 N ATOM 1547 CA TRP A 95 -0.027 8.336 -10.878 1.00 0.00 C ATOM 1548 C TRP A 95 -0.369 6.857 -10.967 1.00 0.00 C ATOM 1549 O TRP A 95 -1.421 6.426 -10.496 1.00 0.00 O ATOM 1550 CB TRP A 95 0.092 8.921 -12.290 1.00 0.00 C ATOM 1551 CG TRP A 95 1.365 8.576 -13.022 1.00 0.00 C ATOM 1552 CD1 TRP A 95 2.537 9.271 -12.990 1.00 0.00 C ATOM 1553 CD2 TRP A 95 1.587 7.467 -13.910 1.00 0.00 C ATOM 1554 NE1 TRP A 95 3.467 8.681 -13.817 1.00 0.00 N ATOM 1555 CE2 TRP A 95 2.907 7.575 -14.393 1.00 0.00 C ATOM 1556 CE3 TRP A 95 0.799 6.397 -14.346 1.00 0.00 C ATOM 1557 CZ2 TRP A 95 3.449 6.660 -15.293 1.00 0.00 C ATOM 1558 CZ3 TRP A 95 1.341 5.487 -15.235 1.00 0.00 C ATOM 1559 CH2 TRP A 95 2.653 5.627 -15.704 1.00 0.00 C ATOM 1560 HA TRP A 95 -0.835 8.838 -10.346 1.00 0.00 H ATOM 1561 HB2 TRP A 95 -0.747 8.553 -12.880 1.00 0.00 H ATOM 1562 HB3 TRP A 95 0.031 10.006 -12.212 1.00 0.00 H ATOM 1563 HE1 TRP A 95 4.437 9.021 -13.977 1.00 0.00 H ATOM 1564 HD1 TRP A 95 2.713 10.167 -12.394 1.00 0.00 H ATOM 1565 HZ2 TRP A 95 4.471 6.764 -15.657 1.00 0.00 H ATOM 1566 HH2 TRP A 95 3.048 4.898 -16.411 1.00 0.00 H ATOM 1567 HZ3 TRP A 95 0.737 4.647 -15.576 1.00 0.00 H ATOM 1568 HE3 TRP A 95 -0.225 6.282 -13.991 1.00 0.00 H ATOM 1569 H TRP A 95 2.034 8.006 -10.297 1.00 0.00 H ATOM 1570 N GLY A 96 0.521 6.092 -11.585 1.00 0.00 N ATOM 1571 CA GLY A 96 0.300 4.663 -11.751 1.00 0.00 C ATOM 1572 C GLY A 96 -1.146 4.315 -12.067 1.00 0.00 C ATOM 1573 O GLY A 96 -1.571 4.378 -13.221 1.00 0.00 O ATOM 1574 HA3 GLY A 96 0.585 4.158 -10.828 1.00 0.00 H ATOM 1575 HA2 GLY A 96 0.929 4.307 -12.567 1.00 0.00 H ATOM 1576 H GLY A 96 1.392 6.521 -11.958 1.00 0.00 H ATOM 1577 N LYS A 97 -1.897 3.949 -11.031 1.00 0.00 N ATOM 1578 CA LYS A 97 -3.305 3.585 -11.176 1.00 0.00 C ATOM 1579 C LYS A 97 -3.857 3.058 -9.853 1.00 0.00 C ATOM 1580 O LYS A 97 -4.594 2.072 -9.823 1.00 0.00 O ATOM 1581 CB LYS A 97 -3.481 2.528 -12.273 1.00 0.00 C ATOM 1582 CG LYS A 97 -4.596 2.849 -13.255 1.00 0.00 C ATOM 1583 CD LYS A 97 -4.075 3.622 -14.456 1.00 0.00 C ATOM 1584 CE LYS A 97 -5.158 3.816 -15.505 1.00 0.00 C ATOM 1585 NZ LYS A 97 -6.237 4.724 -15.029 1.00 0.00 N ATOM 1586 HA LYS A 97 -3.860 4.479 -11.461 1.00 0.00 H ATOM 1587 HB2 LYS A 97 -2.546 2.447 -12.827 1.00 0.00 H ATOM 1588 HB3 LYS A 97 -3.704 1.572 -11.798 1.00 0.00 H ATOM 1589 HG2 LYS A 97 -5.044 1.917 -13.600 1.00 0.00 H ATOM 1590 HG3 LYS A 97 -5.353 3.448 -12.749 1.00 0.00 H ATOM 1591 HD2 LYS A 97 -3.724 4.599 -14.124 1.00 0.00 H ATOM 1592 HD3 LYS A 97 -3.246 3.071 -14.900 1.00 0.00 H ATOM 1593 HE2 LYS A 97 -5.594 2.846 -15.745 1.00 0.00 H ATOM 1594 HE3 LYS A 97 -4.708 4.243 -16.401 1.00 0.00 H ATOM 1595 HZ1 LYS A 97 -6.677 4.321 -14.177 1.00 0.00 H ATOM 1596 HZ2 LYS A 97 -5.831 5.655 -14.804 1.00 0.00 H ATOM 1597 HZ3 LYS A 97 -6.954 4.829 -15.775 1.00 0.00 H ATOM 1598 H LYS A 97 -1.467 3.921 -10.085 1.00 0.00 H ATOM 1599 N GLU A 98 -3.485 3.717 -8.759 1.00 0.00 N ATOM 1600 CA GLU A 98 -3.931 3.312 -7.430 1.00 0.00 C ATOM 1601 C GLU A 98 -5.353 3.790 -7.149 1.00 0.00 C ATOM 1602 O GLU A 98 -6.207 3.004 -6.736 1.00 0.00 O ATOM 1603 CB GLU A 98 -2.973 3.852 -6.365 1.00 0.00 C ATOM 1604 CG GLU A 98 -2.836 5.366 -6.377 1.00 0.00 C ATOM 1605 CD GLU A 98 -1.597 5.842 -5.645 1.00 0.00 C ATOM 1606 OE1 GLU A 98 -0.593 5.100 -5.633 1.00 0.00 O ATOM 1607 OE2 GLU A 98 -1.630 6.958 -5.086 1.00 0.00 O ATOM 1608 HA GLU A 98 -3.931 2.223 -7.394 1.00 0.00 H ATOM 1609 HB2 GLU A 98 -3.340 3.547 -5.385 1.00 0.00 H ATOM 1610 HB3 GLU A 98 -1.989 3.416 -6.534 1.00 0.00 H ATOM 1611 HG2 GLU A 98 -2.783 5.704 -7.412 1.00 0.00 H ATOM 1612 HG3 GLU A 98 -3.714 5.801 -5.899 1.00 0.00 H ATOM 1613 H GLU A 98 -2.860 4.543 -8.853 1.00 0.00 H ATOM 1614 N GLY A 99 -5.608 5.077 -7.371 1.00 0.00 N ATOM 1615 CA GLY A 99 -6.935 5.615 -7.128 1.00 0.00 C ATOM 1616 C GLY A 99 -7.006 7.123 -7.285 1.00 0.00 C ATOM 1617 O GLY A 99 -6.374 7.694 -8.173 1.00 0.00 O ATOM 1618 HA3 GLY A 99 -7.233 5.358 -6.112 1.00 0.00 H ATOM 1619 HA2 GLY A 99 -7.629 5.160 -7.835 1.00 0.00 H ATOM 1620 H GLY A 99 -4.853 5.701 -7.720 1.00 0.00 H ATOM 1621 N GLN A 100 -7.789 7.764 -6.420 1.00 0.00 N ATOM 1622 CA GLN A 100 -7.961 9.214 -6.459 1.00 0.00 C ATOM 1623 C GLN A 100 -6.747 9.935 -5.889 1.00 0.00 C ATOM 1624 O GLN A 100 -6.400 9.768 -4.720 1.00 0.00 O ATOM 1625 CB GLN A 100 -9.218 9.618 -5.688 1.00 0.00 C ATOM 1626 CG GLN A 100 -10.424 8.738 -5.982 1.00 0.00 C ATOM 1627 CD GLN A 100 -11.063 8.184 -4.723 1.00 0.00 C ATOM 1628 OE1 GLN A 100 -11.350 8.923 -3.782 1.00 0.00 O ATOM 1629 NE2 GLN A 100 -11.290 6.876 -4.702 1.00 0.00 N ATOM 1630 HA GLN A 100 -8.068 9.508 -7.503 1.00 0.00 H ATOM 1631 HB2 GLN A 100 -9.001 9.561 -4.621 1.00 0.00 H ATOM 1632 HB3 GLN A 100 -9.469 10.645 -5.952 1.00 0.00 H ATOM 1633 HG2 GLN A 100 -11.166 9.330 -6.519 1.00 0.00 H ATOM 1634 HG3 GLN A 100 -10.104 7.904 -6.607 1.00 0.00 H ATOM 1635 HE22 GLN A 100 -11.031 6.290 -5.521 1.00 0.00 H ATOM 1636 HE21 GLN A 100 -11.727 6.437 -3.866 1.00 0.00 H ATOM 1637 H GLN A 100 -8.294 7.216 -5.694 1.00 0.00 H ATOM 1638 N PRO A 101 -6.086 10.755 -6.720 1.00 0.00 N ATOM 1639 CA PRO A 101 -4.901 11.517 -6.317 1.00 0.00 C ATOM 1640 C PRO A 101 -5.039 12.166 -4.940 1.00 0.00 C ATOM 1641 O PRO A 101 -5.989 12.904 -4.677 1.00 0.00 O ATOM 1642 CB PRO A 101 -4.831 12.585 -7.401 1.00 0.00 C ATOM 1643 CG PRO A 101 -5.330 11.898 -8.617 1.00 0.00 C ATOM 1644 CD PRO A 101 -6.438 11.004 -8.136 1.00 0.00 C ATOM 1645 HA PRO A 101 -4.015 10.888 -6.228 1.00 0.00 H ATOM 1646 HD3 PRO A 101 -7.404 11.502 -8.217 1.00 0.00 H ATOM 1647 HD2 PRO A 101 -6.462 10.073 -8.702 1.00 0.00 H ATOM 1648 HG3 PRO A 101 -4.536 11.310 -9.077 1.00 0.00 H ATOM 1649 HG2 PRO A 101 -5.708 12.623 -9.338 1.00 0.00 H ATOM 1650 HB2 PRO A 101 -5.465 13.435 -7.149 1.00 0.00 H ATOM 1651 HB3 PRO A 101 -3.806 12.927 -7.542 1.00 0.00 H ATOM 1652 N GLY A 102 -4.073 11.884 -4.070 1.00 0.00 N ATOM 1653 CA GLY A 102 -4.077 12.438 -2.726 1.00 0.00 C ATOM 1654 C GLY A 102 -3.010 13.505 -2.534 1.00 0.00 C ATOM 1655 O GLY A 102 -2.236 13.787 -3.448 1.00 0.00 O ATOM 1656 HA3 GLY A 102 -3.898 11.632 -2.014 1.00 0.00 H ATOM 1657 HA2 GLY A 102 -5.054 12.881 -2.533 1.00 0.00 H ATOM 1658 H GLY A 102 -3.298 11.253 -4.358 1.00 0.00 H ATOM 1659 N GLU A 103 -2.970 14.101 -1.345 1.00 0.00 N ATOM 1660 CA GLU A 103 -1.990 15.141 -1.040 1.00 0.00 C ATOM 1661 C GLU A 103 -0.935 14.627 -0.061 1.00 0.00 C ATOM 1662 O GLU A 103 -1.177 13.673 0.679 1.00 0.00 O ATOM 1663 CB GLU A 103 -2.688 16.374 -0.459 1.00 0.00 C ATOM 1664 CG GLU A 103 -2.254 17.680 -1.104 1.00 0.00 C ATOM 1665 CD GLU A 103 -1.880 18.739 -0.086 1.00 0.00 C ATOM 1666 OE1 GLU A 103 -1.134 18.414 0.862 1.00 0.00 O ATOM 1667 OE2 GLU A 103 -2.334 19.893 -0.235 1.00 0.00 O ATOM 1668 HA GLU A 103 -1.491 15.419 -1.968 1.00 0.00 H ATOM 1669 HB2 GLU A 103 -3.763 16.260 -0.600 1.00 0.00 H ATOM 1670 HB3 GLU A 103 -2.466 16.425 0.607 1.00 0.00 H ATOM 1671 HG2 GLU A 103 -1.390 17.485 -1.739 1.00 0.00 H ATOM 1672 HG3 GLU A 103 -3.074 18.057 -1.715 1.00 0.00 H ATOM 1673 H GLU A 103 -3.654 13.819 -0.614 1.00 0.00 H ATOM 1674 N TRP A 104 0.237 15.264 -0.058 1.00 0.00 N ATOM 1675 CA TRP A 104 1.320 14.859 0.840 1.00 0.00 C ATOM 1676 C TRP A 104 0.903 15.067 2.295 1.00 0.00 C ATOM 1677 O TRP A 104 0.831 16.200 2.771 1.00 0.00 O ATOM 1678 CB TRP A 104 2.606 15.658 0.548 1.00 0.00 C ATOM 1679 CG TRP A 104 2.719 16.135 -0.871 1.00 0.00 C ATOM 1680 CD1 TRP A 104 2.469 15.413 -2.002 1.00 0.00 C ATOM 1681 CD2 TRP A 104 3.109 17.442 -1.307 1.00 0.00 C ATOM 1682 NE1 TRP A 104 2.681 16.190 -3.115 1.00 0.00 N ATOM 1683 CE2 TRP A 104 3.074 17.440 -2.714 1.00 0.00 C ATOM 1684 CE3 TRP A 104 3.484 18.614 -0.644 1.00 0.00 C ATOM 1685 CZ2 TRP A 104 3.400 18.565 -3.469 1.00 0.00 C ATOM 1686 CZ3 TRP A 104 3.808 19.730 -1.395 1.00 0.00 C ATOM 1687 CH2 TRP A 104 3.763 19.698 -2.794 1.00 0.00 C ATOM 1688 HA TRP A 104 1.523 13.802 0.670 1.00 0.00 H ATOM 1689 HB2 TRP A 104 2.626 16.528 1.205 1.00 0.00 H ATOM 1690 HB3 TRP A 104 3.463 15.020 0.765 1.00 0.00 H ATOM 1691 HE1 TRP A 104 2.563 15.880 -4.101 1.00 0.00 H ATOM 1692 HD1 TRP A 104 2.148 14.372 -2.020 1.00 0.00 H ATOM 1693 HZ2 TRP A 104 3.367 18.543 -4.558 1.00 0.00 H ATOM 1694 HH2 TRP A 104 4.023 20.595 -3.357 1.00 0.00 H ATOM 1695 HZ3 TRP A 104 4.103 20.649 -0.889 1.00 0.00 H ATOM 1696 HE3 TRP A 104 3.521 18.648 0.445 1.00 0.00 H ATOM 1697 H TRP A 104 0.384 16.064 -0.706 1.00 0.00 H ATOM 1698 N MET A 105 0.622 13.969 2.997 1.00 0.00 N ATOM 1699 CA MET A 105 0.207 14.048 4.396 1.00 0.00 C ATOM 1700 C MET A 105 1.171 13.291 5.312 1.00 0.00 C ATOM 1701 O MET A 105 1.764 12.287 4.916 1.00 0.00 O ATOM 1702 CB MET A 105 -1.243 13.554 4.546 1.00 0.00 C ATOM 1703 CG MET A 105 -1.404 12.202 5.227 1.00 0.00 C ATOM 1704 SD MET A 105 -1.659 12.351 7.005 1.00 0.00 S ATOM 1705 CE MET A 105 -2.433 10.778 7.370 1.00 0.00 C ATOM 1706 HA MET A 105 0.241 15.091 4.709 1.00 0.00 H ATOM 1707 HB2 MET A 105 -1.792 14.293 5.130 1.00 0.00 H ATOM 1708 HB3 MET A 105 -1.679 13.483 3.550 1.00 0.00 H ATOM 1709 HG2 MET A 105 -0.505 11.612 5.051 1.00 0.00 H ATOM 1710 HG3 MET A 105 -2.263 11.691 4.792 1.00 0.00 H ATOM 1711 HE1 MET A 105 -3.359 10.690 6.802 1.00 0.00 H ATOM 1712 HE2 MET A 105 -1.757 9.969 7.093 1.00 0.00 H ATOM 1713 HE3 MET A 105 -2.652 10.721 8.436 1.00 0.00 H ATOM 1714 H MET A 105 0.700 13.038 2.540 1.00 0.00 H ATOM 1715 N SER A 106 1.329 13.796 6.535 1.00 0.00 N ATOM 1716 CA SER A 106 2.231 13.189 7.513 1.00 0.00 C ATOM 1717 C SER A 106 1.720 11.831 7.982 1.00 0.00 C ATOM 1718 O SER A 106 0.648 11.729 8.578 1.00 0.00 O ATOM 1719 CB SER A 106 2.405 14.120 8.715 1.00 0.00 C ATOM 1720 OG SER A 106 3.726 14.053 9.224 1.00 0.00 O ATOM 1721 HA SER A 106 3.194 13.036 7.026 1.00 0.00 H ATOM 1722 HB2 SER A 106 1.706 13.826 9.498 1.00 0.00 H ATOM 1723 HB3 SER A 106 2.193 15.144 8.407 1.00 0.00 H ATOM 1724 HG SER A 106 3.811 14.663 9.999 1.00 0.00 H ATOM 1725 H SER A 106 0.795 14.647 6.802 1.00 0.00 H ATOM 1726 N LEU A 107 2.502 10.790 7.716 1.00 0.00 N ATOM 1727 CA LEU A 107 2.134 9.431 8.114 1.00 0.00 C ATOM 1728 C LEU A 107 2.190 9.254 9.632 1.00 0.00 C ATOM 1729 O LEU A 107 1.620 8.307 10.175 1.00 0.00 O ATOM 1730 CB LEU A 107 3.050 8.409 7.438 1.00 0.00 C ATOM 1731 CG LEU A 107 2.331 7.232 6.769 1.00 0.00 C ATOM 1732 CD1 LEU A 107 1.799 6.264 7.817 1.00 0.00 C ATOM 1733 CD2 LEU A 107 1.200 7.727 5.871 1.00 0.00 C ATOM 1734 HA LEU A 107 1.107 9.263 7.791 1.00 0.00 H ATOM 1735 HB2 LEU A 107 3.630 8.928 6.675 1.00 0.00 H ATOM 1736 HB3 LEU A 107 3.724 8.007 8.195 1.00 0.00 H ATOM 1737 HG LEU A 107 3.052 6.702 6.146 1.00 0.00 H ATOM 1738 HD21 LEU A 107 0.480 8.285 6.470 1.00 0.00 H ATOM 1739 HD22 LEU A 107 1.610 8.375 5.096 1.00 0.00 H ATOM 1740 HD23 LEU A 107 0.705 6.873 5.408 1.00 0.00 H ATOM 1741 HD11 LEU A 107 2.629 5.881 8.410 1.00 0.00 H ATOM 1742 HD12 LEU A 107 1.096 6.785 8.467 1.00 0.00 H ATOM 1743 HD13 LEU A 107 1.292 5.436 7.321 1.00 0.00 H ATOM 1744 H LEU A 107 3.398 10.945 7.212 1.00 0.00 H ATOM 1745 N VAL A 108 2.887 10.161 10.310 1.00 0.00 N ATOM 1746 CA VAL A 108 3.032 10.104 11.763 1.00 0.00 C ATOM 1747 C VAL A 108 1.695 9.867 12.466 1.00 0.00 C ATOM 1748 O VAL A 108 1.662 9.410 13.609 1.00 0.00 O ATOM 1749 CB VAL A 108 3.664 11.399 12.310 1.00 0.00 C ATOM 1750 CG1 VAL A 108 2.773 12.598 12.020 1.00 0.00 C ATOM 1751 CG2 VAL A 108 3.937 11.276 13.803 1.00 0.00 C ATOM 1752 HA VAL A 108 3.689 9.260 11.972 1.00 0.00 H ATOM 1753 HB VAL A 108 4.616 11.554 11.803 1.00 0.00 H ATOM 1754 HG11 VAL A 108 2.640 12.698 10.943 1.00 0.00 H ATOM 1755 HG12 VAL A 108 1.803 12.451 12.495 1.00 0.00 H ATOM 1756 HG13 VAL A 108 3.240 13.500 12.415 1.00 0.00 H ATOM 1757 HG21 VAL A 108 3.000 11.091 14.328 1.00 0.00 H ATOM 1758 HG22 VAL A 108 4.623 10.447 13.979 1.00 0.00 H ATOM 1759 HG23 VAL A 108 4.383 12.202 14.167 1.00 0.00 H ATOM 1760 H VAL A 108 3.344 10.936 9.789 1.00 0.00 H ATOM 1761 N GLY A 109 0.597 10.180 11.785 1.00 0.00 N ATOM 1762 CA GLY A 109 -0.714 9.990 12.379 1.00 0.00 C ATOM 1763 C GLY A 109 -1.770 9.596 11.365 1.00 0.00 C ATOM 1764 O GLY A 109 -2.803 10.254 11.245 1.00 0.00 O ATOM 1765 HA3 GLY A 109 -1.019 10.922 12.855 1.00 0.00 H ATOM 1766 HA2 GLY A 109 -0.644 9.205 13.132 1.00 0.00 H ATOM 1767 H GLY A 109 0.678 10.563 10.821 1.00 0.00 H ATOM 1768 N LEU A 110 -1.511 8.514 10.641 1.00 0.00 N ATOM 1769 CA LEU A 110 -2.446 8.019 9.634 1.00 0.00 C ATOM 1770 C LEU A 110 -3.766 7.604 10.279 1.00 0.00 C ATOM 1771 O LEU A 110 -3.798 7.203 11.443 1.00 0.00 O ATOM 1772 CB LEU A 110 -1.837 6.836 8.882 1.00 0.00 C ATOM 1773 CG LEU A 110 -2.703 6.275 7.755 1.00 0.00 C ATOM 1774 CD1 LEU A 110 -1.844 5.531 6.746 1.00 0.00 C ATOM 1775 CD2 LEU A 110 -3.787 5.365 8.317 1.00 0.00 C ATOM 1776 HA LEU A 110 -2.644 8.825 8.927 1.00 0.00 H ATOM 1777 HB2 LEU A 110 -0.889 7.160 8.452 1.00 0.00 H ATOM 1778 HB3 LEU A 110 -1.655 6.036 9.600 1.00 0.00 H ATOM 1779 HG LEU A 110 -3.188 7.106 7.244 1.00 0.00 H ATOM 1780 HD21 LEU A 110 -3.323 4.537 8.853 1.00 0.00 H ATOM 1781 HD22 LEU A 110 -4.418 5.933 9.000 1.00 0.00 H ATOM 1782 HD23 LEU A 110 -4.393 4.976 7.499 1.00 0.00 H ATOM 1783 HD11 LEU A 110 -1.109 6.215 6.322 1.00 0.00 H ATOM 1784 HD12 LEU A 110 -1.332 4.708 7.244 1.00 0.00 H ATOM 1785 HD13 LEU A 110 -2.478 5.138 5.951 1.00 0.00 H ATOM 1786 H LEU A 110 -0.617 8.005 10.795 1.00 0.00 H ATOM 1787 N ASN A 111 -4.860 7.716 9.525 1.00 0.00 N ATOM 1788 CA ASN A 111 -6.179 7.367 10.041 1.00 0.00 C ATOM 1789 C ASN A 111 -6.749 6.117 9.378 1.00 0.00 C ATOM 1790 O ASN A 111 -7.073 6.121 8.190 1.00 0.00 O ATOM 1791 CB ASN A 111 -7.141 8.543 9.859 1.00 0.00 C ATOM 1792 CG ASN A 111 -7.583 9.141 11.180 1.00 0.00 C ATOM 1793 OD1 ASN A 111 -7.637 10.360 11.336 1.00 0.00 O ATOM 1794 ND2 ASN A 111 -7.901 8.282 12.142 1.00 0.00 N ATOM 1795 HA ASN A 111 -6.064 7.147 11.102 1.00 0.00 H ATOM 1796 HB2 ASN A 111 -6.642 9.316 9.275 1.00 0.00 H ATOM 1797 HB3 ASN A 111 -8.022 8.194 9.321 1.00 0.00 H ATOM 1798 HD22 ASN A 111 -7.841 7.259 11.966 1.00 0.00 H ATOM 1799 HD21 ASN A 111 -8.210 8.633 13.071 1.00 0.00 H ATOM 1800 H ASN A 111 -4.771 8.060 8.547 1.00 0.00 H ATOM 1801 N ALA A 112 -6.888 5.052 10.166 1.00 0.00 N ATOM 1802 CA ALA A 112 -7.441 3.798 9.672 1.00 0.00 C ATOM 1803 C ALA A 112 -8.947 3.929 9.436 1.00 0.00 C ATOM 1804 O ALA A 112 -9.558 3.098 8.769 1.00 0.00 O ATOM 1805 CB ALA A 112 -7.158 2.663 10.647 1.00 0.00 C ATOM 1806 HA ALA A 112 -6.959 3.567 8.722 1.00 0.00 H ATOM 1807 HB1 ALA A 112 -6.081 2.550 10.768 1.00 0.00 H ATOM 1808 HB2 ALA A 112 -7.611 2.893 11.611 1.00 0.00 H ATOM 1809 HB3 ALA A 112 -7.580 1.737 10.257 1.00 0.00 H ATOM 1810 H ALA A 112 -6.594 5.118 11.161 1.00 0.00 H ATOM 1811 N ASP A 113 -9.545 4.977 10.000 1.00 0.00 N ATOM 1812 CA ASP A 113 -10.975 5.212 9.846 1.00 0.00 C ATOM 1813 C ASP A 113 -11.272 5.834 8.484 1.00 0.00 C ATOM 1814 O ASP A 113 -12.210 5.432 7.796 1.00 0.00 O ATOM 1815 CB ASP A 113 -11.520 6.116 10.965 1.00 0.00 C ATOM 1816 CG ASP A 113 -10.440 6.763 11.813 1.00 0.00 C ATOM 1817 OD1 ASP A 113 -9.590 6.027 12.357 1.00 0.00 O ATOM 1818 OD2 ASP A 113 -10.448 8.006 11.935 1.00 0.00 O ATOM 1819 HA ASP A 113 -11.476 4.246 9.915 1.00 0.00 H ATOM 1820 HB2 ASP A 113 -12.118 6.905 10.509 1.00 0.00 H ATOM 1821 HB3 ASP A 113 -12.153 5.513 11.616 1.00 0.00 H ATOM 1822 H ASP A 113 -8.978 5.643 10.563 1.00 0.00 H ATOM 1823 N ASP A 114 -10.467 6.824 8.107 1.00 0.00 N ATOM 1824 CA ASP A 114 -10.641 7.513 6.832 1.00 0.00 C ATOM 1825 C ASP A 114 -10.183 6.650 5.658 1.00 0.00 C ATOM 1826 O ASP A 114 -10.471 6.962 4.503 1.00 0.00 O ATOM 1827 CB ASP A 114 -9.877 8.836 6.836 1.00 0.00 C ATOM 1828 CG ASP A 114 -10.796 10.036 6.722 1.00 0.00 C ATOM 1829 OD1 ASP A 114 -11.847 9.919 6.057 1.00 0.00 O ATOM 1830 OD2 ASP A 114 -10.464 11.095 7.296 1.00 0.00 O ATOM 1831 HA ASP A 114 -11.706 7.711 6.708 1.00 0.00 H ATOM 1832 HB2 ASP A 114 -9.315 8.913 7.767 1.00 0.00 H ATOM 1833 HB3 ASP A 114 -9.185 8.843 5.994 1.00 0.00 H ATOM 1834 H ASP A 114 -9.693 7.115 8.738 1.00 0.00 H ATOM 1835 N PHE A 115 -9.467 5.568 5.951 1.00 0.00 N ATOM 1836 CA PHE A 115 -8.982 4.678 4.904 1.00 0.00 C ATOM 1837 C PHE A 115 -9.812 3.393 4.864 1.00 0.00 C ATOM 1838 O PHE A 115 -10.537 3.087 5.812 1.00 0.00 O ATOM 1839 CB PHE A 115 -7.476 4.404 5.100 1.00 0.00 C ATOM 1840 CG PHE A 115 -7.112 3.087 5.728 1.00 0.00 C ATOM 1841 CD1 PHE A 115 -7.871 2.551 6.747 1.00 0.00 C ATOM 1842 CD2 PHE A 115 -5.984 2.401 5.306 1.00 0.00 C ATOM 1843 CE1 PHE A 115 -7.521 1.353 7.334 1.00 0.00 C ATOM 1844 CE2 PHE A 115 -5.626 1.207 5.891 1.00 0.00 C ATOM 1845 CZ PHE A 115 -6.395 0.682 6.906 1.00 0.00 C ATOM 1846 HA PHE A 115 -9.101 5.160 3.933 1.00 0.00 H ATOM 1847 HB2 PHE A 115 -7.001 4.447 4.120 1.00 0.00 H ATOM 1848 HB3 PHE A 115 -7.074 5.196 5.733 1.00 0.00 H ATOM 1849 HD2 PHE A 115 -5.373 2.811 4.502 1.00 0.00 H ATOM 1850 HE2 PHE A 115 -4.735 0.678 5.551 1.00 0.00 H ATOM 1851 HZ PHE A 115 -6.114 -0.263 7.370 1.00 0.00 H ATOM 1852 HE1 PHE A 115 -8.133 0.938 8.134 1.00 0.00 H ATOM 1853 HD1 PHE A 115 -8.759 3.081 7.093 1.00 0.00 H ATOM 1854 H PHE A 115 -9.249 5.353 6.945 1.00 0.00 H ATOM 1855 N PRO A 116 -9.733 2.627 3.763 1.00 0.00 N ATOM 1856 CA PRO A 116 -10.496 1.384 3.613 1.00 0.00 C ATOM 1857 C PRO A 116 -10.251 0.409 4.764 1.00 0.00 C ATOM 1858 O PRO A 116 -9.107 0.159 5.142 1.00 0.00 O ATOM 1859 CB PRO A 116 -9.989 0.795 2.288 1.00 0.00 C ATOM 1860 CG PRO A 116 -8.738 1.544 1.976 1.00 0.00 C ATOM 1861 CD PRO A 116 -8.913 2.908 2.578 1.00 0.00 C ATOM 1862 HA PRO A 116 -11.570 1.569 3.621 1.00 0.00 H ATOM 1863 HD3 PRO A 116 -7.953 3.343 2.856 1.00 0.00 H ATOM 1864 HD2 PRO A 116 -9.429 3.579 1.891 1.00 0.00 H ATOM 1865 HG3 PRO A 116 -8.601 1.620 0.897 1.00 0.00 H ATOM 1866 HG2 PRO A 116 -7.876 1.043 2.416 1.00 0.00 H ATOM 1867 HB2 PRO A 116 -9.780 -0.269 2.398 1.00 0.00 H ATOM 1868 HB3 PRO A 116 -10.727 0.939 1.499 1.00 0.00 H ATOM 1869 N PRO A 117 -11.329 -0.158 5.338 1.00 0.00 N ATOM 1870 CA PRO A 117 -11.224 -1.110 6.450 1.00 0.00 C ATOM 1871 C PRO A 117 -10.572 -2.425 6.035 1.00 0.00 C ATOM 1872 O PRO A 117 -10.170 -3.222 6.883 1.00 0.00 O ATOM 1873 CB PRO A 117 -12.680 -1.343 6.864 1.00 0.00 C ATOM 1874 CG PRO A 117 -13.477 -1.021 5.649 1.00 0.00 C ATOM 1875 CD PRO A 117 -12.732 0.081 4.950 1.00 0.00 C ATOM 1876 HA PRO A 117 -10.596 -0.724 7.252 1.00 0.00 H ATOM 1877 HD3 PRO A 117 -12.856 0.012 3.869 1.00 0.00 H ATOM 1878 HD2 PRO A 117 -13.071 1.059 5.291 1.00 0.00 H ATOM 1879 HG3 PRO A 117 -14.476 -0.686 5.928 1.00 0.00 H ATOM 1880 HG2 PRO A 117 -13.555 -1.896 5.003 1.00 0.00 H ATOM 1881 HB2 PRO A 117 -12.834 -2.380 7.161 1.00 0.00 H ATOM 1882 HB3 PRO A 117 -12.955 -0.686 7.689 1.00 0.00 H ATOM 1883 N ALA A 118 -10.474 -2.651 4.729 1.00 0.00 N ATOM 1884 CA ALA A 118 -9.874 -3.874 4.211 1.00 0.00 C ATOM 1885 C ALA A 118 -8.412 -3.986 4.615 1.00 0.00 C ATOM 1886 O ALA A 118 -7.862 -5.084 4.691 1.00 0.00 O ATOM 1887 CB ALA A 118 -10.013 -3.931 2.697 1.00 0.00 C ATOM 1888 HA ALA A 118 -10.406 -4.720 4.646 1.00 0.00 H ATOM 1889 HB1 ALA A 118 -11.069 -3.911 2.429 1.00 0.00 H ATOM 1890 HB2 ALA A 118 -9.509 -3.072 2.255 1.00 0.00 H ATOM 1891 HB3 ALA A 118 -9.560 -4.850 2.326 1.00 0.00 H ATOM 1892 H ALA A 118 -10.834 -1.939 4.062 1.00 0.00 H ATOM 1893 N ASN A 119 -7.786 -2.846 4.867 1.00 0.00 N ATOM 1894 CA ASN A 119 -6.385 -2.815 5.258 1.00 0.00 C ATOM 1895 C ASN A 119 -6.227 -2.413 6.727 1.00 0.00 C ATOM 1896 O ASN A 119 -5.109 -2.260 7.219 1.00 0.00 O ATOM 1897 CB ASN A 119 -5.638 -1.835 4.358 1.00 0.00 C ATOM 1898 CG ASN A 119 -4.610 -2.521 3.480 1.00 0.00 C ATOM 1899 OD1 ASN A 119 -3.406 -2.343 3.658 1.00 0.00 O ATOM 1900 ND2 ASN A 119 -5.083 -3.311 2.523 1.00 0.00 N ATOM 1901 HA ASN A 119 -5.966 -3.815 5.144 1.00 0.00 H ATOM 1902 HB2 ASN A 119 -6.360 -1.326 3.719 1.00 0.00 H ATOM 1903 HB3 ASN A 119 -5.130 -1.102 4.985 1.00 0.00 H ATOM 1904 HD22 ASN A 119 -6.110 -3.432 2.409 1.00 0.00 H ATOM 1905 HD21 ASN A 119 -4.427 -3.808 1.888 1.00 0.00 H ATOM 1906 H ASN A 119 -8.309 -1.951 4.783 1.00 0.00 H ATOM 1907 N GLU A 120 -7.353 -2.239 7.419 1.00 0.00 N ATOM 1908 CA GLU A 120 -7.348 -1.848 8.828 1.00 0.00 C ATOM 1909 C GLU A 120 -6.525 -2.801 9.701 1.00 0.00 C ATOM 1910 O GLU A 120 -5.898 -2.365 10.660 1.00 0.00 O ATOM 1911 CB GLU A 120 -8.781 -1.772 9.361 1.00 0.00 C ATOM 1912 CG GLU A 120 -9.074 -0.505 10.148 1.00 0.00 C ATOM 1913 CD GLU A 120 -10.450 0.059 9.853 1.00 0.00 C ATOM 1914 OE1 GLU A 120 -11.328 -0.715 9.418 1.00 0.00 O ATOM 1915 OE2 GLU A 120 -10.649 1.275 10.058 1.00 0.00 O ATOM 1916 HA GLU A 120 -6.878 -0.866 8.881 1.00 0.00 H ATOM 1917 HB2 GLU A 120 -9.466 -1.818 8.515 1.00 0.00 H ATOM 1918 HB3 GLU A 120 -8.952 -2.629 10.012 1.00 0.00 H ATOM 1919 HG2 GLU A 120 -9.010 -0.732 11.212 1.00 0.00 H ATOM 1920 HG3 GLU A 120 -8.326 0.246 9.892 1.00 0.00 H ATOM 1921 H GLU A 120 -8.265 -2.386 6.941 1.00 0.00 H ATOM 1922 N PRO A 121 -6.529 -4.116 9.416 1.00 0.00 N ATOM 1923 CA PRO A 121 -5.791 -5.093 10.225 1.00 0.00 C ATOM 1924 C PRO A 121 -4.376 -4.657 10.601 1.00 0.00 C ATOM 1925 O PRO A 121 -3.994 -4.717 11.770 1.00 0.00 O ATOM 1926 CB PRO A 121 -5.721 -6.297 9.298 1.00 0.00 C ATOM 1927 CG PRO A 121 -6.994 -6.238 8.532 1.00 0.00 C ATOM 1928 CD PRO A 121 -7.274 -4.774 8.318 1.00 0.00 C ATOM 1929 HA PRO A 121 -6.283 -5.260 11.183 1.00 0.00 H ATOM 1930 HD3 PRO A 121 -6.907 -4.445 7.346 1.00 0.00 H ATOM 1931 HD2 PRO A 121 -8.341 -4.566 8.392 1.00 0.00 H ATOM 1932 HG3 PRO A 121 -7.801 -6.701 9.100 1.00 0.00 H ATOM 1933 HG2 PRO A 121 -6.886 -6.748 7.575 1.00 0.00 H ATOM 1934 HB2 PRO A 121 -4.863 -6.222 8.630 1.00 0.00 H ATOM 1935 HB3 PRO A 121 -5.655 -7.223 9.870 1.00 0.00 H ATOM 1936 N VAL A 122 -3.596 -4.230 9.615 1.00 0.00 N ATOM 1937 CA VAL A 122 -2.222 -3.800 9.868 1.00 0.00 C ATOM 1938 C VAL A 122 -2.177 -2.389 10.440 1.00 0.00 C ATOM 1939 O VAL A 122 -1.564 -2.146 11.480 1.00 0.00 O ATOM 1940 CB VAL A 122 -1.345 -3.841 8.590 1.00 0.00 C ATOM 1941 CG1 VAL A 122 -0.085 -4.656 8.831 1.00 0.00 C ATOM 1942 CG2 VAL A 122 -2.111 -4.383 7.389 1.00 0.00 C ATOM 1943 HA VAL A 122 -1.820 -4.507 10.594 1.00 0.00 H ATOM 1944 HB VAL A 122 -1.061 -2.814 8.359 1.00 0.00 H ATOM 1945 HG11 VAL A 122 0.489 -4.204 9.640 1.00 0.00 H ATOM 1946 HG12 VAL A 122 -0.360 -5.675 9.104 1.00 0.00 H ATOM 1947 HG13 VAL A 122 0.516 -4.672 7.922 1.00 0.00 H ATOM 1948 HG21 VAL A 122 -2.449 -5.397 7.603 1.00 0.00 H ATOM 1949 HG22 VAL A 122 -2.972 -3.745 7.191 1.00 0.00 H ATOM 1950 HG23 VAL A 122 -1.457 -4.393 6.517 1.00 0.00 H ATOM 1951 H VAL A 122 -3.969 -4.201 8.645 1.00 0.00 H ATOM 1952 N ILE A 123 -2.823 -1.462 9.744 1.00 0.00 N ATOM 1953 CA ILE A 123 -2.859 -0.067 10.160 1.00 0.00 C ATOM 1954 C ILE A 123 -3.487 0.082 11.537 1.00 0.00 C ATOM 1955 O ILE A 123 -3.155 0.994 12.278 1.00 0.00 O ATOM 1956 CB ILE A 123 -3.617 0.800 9.135 1.00 0.00 C ATOM 1957 CG1 ILE A 123 -2.798 0.907 7.846 1.00 0.00 C ATOM 1958 CG2 ILE A 123 -3.910 2.183 9.703 1.00 0.00 C ATOM 1959 CD1 ILE A 123 -1.915 2.136 7.787 1.00 0.00 C ATOM 1960 HA ILE A 123 -1.828 0.282 10.213 1.00 0.00 H ATOM 1961 HB ILE A 123 -4.572 0.325 8.911 1.00 0.00 H ATOM 1962 HG12 ILE A 123 -2.165 0.024 7.766 1.00 0.00 H ATOM 1963 HG13 ILE A 123 -3.487 0.937 7.002 1.00 0.00 H ATOM 1964 HD11 ILE A 123 -2.534 3.030 7.854 1.00 0.00 H ATOM 1965 HD12 ILE A 123 -1.211 2.116 8.619 1.00 0.00 H ATOM 1966 HD13 ILE A 123 -1.366 2.143 6.845 1.00 0.00 H ATOM 1967 HG21 ILE A 123 -4.522 2.084 10.600 1.00 0.00 H ATOM 1968 HG22 ILE A 123 -2.972 2.677 9.955 1.00 0.00 H ATOM 1969 HG23 ILE A 123 -4.445 2.774 8.960 1.00 0.00 H ATOM 1970 H ILE A 123 -3.319 -1.741 8.874 1.00 0.00 H ATOM 1971 N ALA A 124 -4.382 -0.829 11.875 1.00 0.00 N ATOM 1972 CA ALA A 124 -5.031 -0.795 13.178 1.00 0.00 C ATOM 1973 C ALA A 124 -3.974 -0.825 14.275 1.00 0.00 C ATOM 1974 O ALA A 124 -3.997 -0.020 15.207 1.00 0.00 O ATOM 1975 CB ALA A 124 -5.996 -1.962 13.331 1.00 0.00 C ATOM 1976 HA ALA A 124 -5.606 0.127 13.263 1.00 0.00 H ATOM 1977 HB1 ALA A 124 -6.760 -1.904 12.555 1.00 0.00 H ATOM 1978 HB2 ALA A 124 -5.449 -2.900 13.235 1.00 0.00 H ATOM 1979 HB3 ALA A 124 -6.468 -1.915 14.312 1.00 0.00 H ATOM 1980 H ALA A 124 -4.627 -1.582 11.200 1.00 0.00 H ATOM 1981 N LYS A 125 -3.070 -1.792 14.166 1.00 0.00 N ATOM 1982 CA LYS A 125 -2.018 -1.975 15.159 1.00 0.00 C ATOM 1983 C LYS A 125 -1.229 -0.688 15.370 1.00 0.00 C ATOM 1984 O LYS A 125 -1.001 -0.274 16.506 1.00 0.00 O ATOM 1985 CB LYS A 125 -1.075 -3.101 14.732 1.00 0.00 C ATOM 1986 CG LYS A 125 -0.469 -3.864 15.900 1.00 0.00 C ATOM 1987 CD LYS A 125 -0.565 -5.368 15.697 1.00 0.00 C ATOM 1988 CE LYS A 125 -1.892 -5.914 16.198 1.00 0.00 C ATOM 1989 NZ LYS A 125 -2.898 -6.018 15.105 1.00 0.00 N ATOM 1990 HA LYS A 125 -2.492 -2.243 16.103 1.00 0.00 H ATOM 1991 HB2 LYS A 125 -1.634 -3.804 14.114 1.00 0.00 H ATOM 1992 HB3 LYS A 125 -0.265 -2.668 14.145 1.00 0.00 H ATOM 1993 HG2 LYS A 125 0.580 -3.586 15.998 1.00 0.00 H ATOM 1994 HG3 LYS A 125 -1.001 -3.595 16.813 1.00 0.00 H ATOM 1995 HD2 LYS A 125 -0.469 -5.589 14.634 1.00 0.00 H ATOM 1996 HD3 LYS A 125 0.246 -5.852 16.242 1.00 0.00 H ATOM 1997 HE2 LYS A 125 -2.278 -5.249 16.970 1.00 0.00 H ATOM 1998 HE3 LYS A 125 -1.728 -6.905 16.622 1.00 0.00 H ATOM 1999 HZ1 LYS A 125 -3.066 -5.075 14.699 1.00 0.00 H ATOM 2000 HZ2 LYS A 125 -2.541 -6.657 14.366 1.00 0.00 H ATOM 2001 HZ3 LYS A 125 -3.788 -6.394 15.489 1.00 0.00 H ATOM 2002 H LYS A 125 -3.114 -2.436 13.351 1.00 0.00 H ATOM 2003 N LEU A 126 -0.815 -0.057 14.281 1.00 0.00 N ATOM 2004 CA LEU A 126 -0.052 1.188 14.366 1.00 0.00 C ATOM 2005 C LEU A 126 -0.975 2.366 14.658 1.00 0.00 C ATOM 2006 O LEU A 126 -0.720 3.166 15.552 1.00 0.00 O ATOM 2007 CB LEU A 126 0.712 1.433 13.063 1.00 0.00 C ATOM 2008 CG LEU A 126 2.109 2.032 13.235 1.00 0.00 C ATOM 2009 CD1 LEU A 126 3.155 0.931 13.311 1.00 0.00 C ATOM 2010 CD2 LEU A 126 2.422 2.989 12.094 1.00 0.00 C ATOM 2011 HA LEU A 126 0.663 1.095 15.184 1.00 0.00 H ATOM 2012 HB2 LEU A 126 0.814 0.479 12.546 1.00 0.00 H ATOM 2013 HB3 LEU A 126 0.124 2.116 12.449 1.00 0.00 H ATOM 2014 HG LEU A 126 2.132 2.592 14.170 1.00 0.00 H ATOM 2015 HD21 LEU A 126 2.381 2.450 11.148 1.00 0.00 H ATOM 2016 HD22 LEU A 126 1.689 3.795 12.086 1.00 0.00 H ATOM 2017 HD23 LEU A 126 3.420 3.405 12.234 1.00 0.00 H ATOM 2018 HD11 LEU A 126 2.939 0.285 14.162 1.00 0.00 H ATOM 2019 HD12 LEU A 126 3.131 0.345 12.392 1.00 0.00 H ATOM 2020 HD13 LEU A 126 4.142 1.377 13.433 1.00 0.00 H ATOM 2021 H LEU A 126 -1.037 -0.455 13.346 1.00 0.00 H ATOM 2022 N LYS A 127 -2.040 2.470 13.880 1.00 0.00 N ATOM 2023 CA LYS A 127 -3.007 3.551 14.031 1.00 0.00 C ATOM 2024 C LYS A 127 -3.465 3.668 15.473 1.00 0.00 C ATOM 2025 O LYS A 127 -3.636 4.767 15.999 1.00 0.00 O ATOM 2026 CB LYS A 127 -4.214 3.294 13.144 1.00 0.00 C ATOM 2027 CG LYS A 127 -5.356 4.277 13.355 1.00 0.00 C ATOM 2028 CD LYS A 127 -6.698 3.568 13.447 1.00 0.00 C ATOM 2029 CE LYS A 127 -7.204 3.514 14.880 1.00 0.00 C ATOM 2030 NZ LYS A 127 -8.468 2.735 14.995 1.00 0.00 N ATOM 2031 HA LYS A 127 -2.523 4.482 13.737 1.00 0.00 H ATOM 2032 HB2 LYS A 127 -3.895 3.357 12.104 1.00 0.00 H ATOM 2033 HB3 LYS A 127 -4.583 2.289 13.350 1.00 0.00 H ATOM 2034 HG2 LYS A 127 -5.183 4.827 14.280 1.00 0.00 H ATOM 2035 HG3 LYS A 127 -5.381 4.975 12.518 1.00 0.00 H ATOM 2036 HD2 LYS A 127 -7.424 4.103 12.835 1.00 0.00 H ATOM 2037 HD3 LYS A 127 -6.588 2.551 13.072 1.00 0.00 H ATOM 2038 HE2 LYS A 127 -7.384 4.531 15.229 1.00 0.00 H ATOM 2039 HE3 LYS A 127 -6.443 3.046 15.505 1.00 0.00 H ATOM 2040 HZ1 LYS A 127 -9.202 3.179 14.407 1.00 0.00 H ATOM 2041 HZ2 LYS A 127 -8.304 1.761 14.670 1.00 0.00 H ATOM 2042 HZ3 LYS A 127 -8.778 2.724 15.988 1.00 0.00 H ATOM 2043 H LYS A 127 -2.192 1.758 13.137 1.00 0.00 H ATOM 2044 N ARG A 128 -3.649 2.522 16.111 1.00 0.00 N ATOM 2045 CA ARG A 128 -4.073 2.490 17.498 1.00 0.00 C ATOM 2046 C ARG A 128 -3.008 3.127 18.387 1.00 0.00 C ATOM 2047 O ARG A 128 -3.235 3.351 19.576 1.00 0.00 O ATOM 2048 CB ARG A 128 -4.343 1.048 17.931 1.00 0.00 C ATOM 2049 CG ARG A 128 -4.583 0.886 19.424 1.00 0.00 C ATOM 2050 CD ARG A 128 -4.932 -0.551 19.778 1.00 0.00 C ATOM 2051 NE ARG A 128 -4.931 -0.776 21.221 1.00 0.00 N ATOM 2052 CZ ARG A 128 -4.910 -1.982 21.784 1.00 0.00 C ATOM 2053 NH1 ARG A 128 -4.890 -3.074 21.028 1.00 0.00 N ATOM 2054 NH2 ARG A 128 -4.909 -2.098 23.104 1.00 0.00 N ATOM 2055 HA ARG A 128 -4.996 3.061 17.601 1.00 0.00 H ATOM 2056 HB2 ARG A 128 -5.225 0.690 17.401 1.00 0.00 H ATOM 2057 HB3 ARG A 128 -3.482 0.440 17.654 1.00 0.00 H ATOM 2058 HG2 ARG A 128 -3.680 1.175 19.962 1.00 0.00 H ATOM 2059 HG3 ARG A 128 -5.406 1.535 19.724 1.00 0.00 H ATOM 2060 HD2 ARG A 128 -4.200 -1.215 19.318 1.00 0.00 H ATOM 2061 HD3 ARG A 128 -5.924 -0.779 19.387 1.00 0.00 H ATOM 2062 HE ARG A 128 -4.948 0.055 21.846 1.00 0.00 H ATOM 2063 HH12 ARG A 128 -4.874 -4.014 21.473 1.00 0.00 H ATOM 2064 HH11 ARG A 128 -4.891 -2.989 19.991 1.00 0.00 H ATOM 2065 HH22 ARG A 128 -4.893 -3.041 23.543 1.00 0.00 H ATOM 2066 HH21 ARG A 128 -4.925 -1.246 23.701 1.00 0.00 H ATOM 2067 H ARG A 128 -3.486 1.627 15.607 1.00 0.00 H ATOM 2068 N LEU A 129 -1.847 3.428 17.802 1.00 0.00 N ATOM 2069 CA LEU A 129 -0.763 4.053 18.558 1.00 0.00 C ATOM 2070 C LEU A 129 -1.021 5.549 18.729 1.00 0.00 C ATOM 2071 O LEU A 129 -2.091 5.957 19.182 1.00 0.00 O ATOM 2072 CB LEU A 129 0.593 3.808 17.877 1.00 0.00 C ATOM 2073 CG LEU A 129 1.254 5.042 17.261 1.00 0.00 C ATOM 2074 CD1 LEU A 129 2.665 4.717 16.795 1.00 0.00 C ATOM 2075 CD2 LEU A 129 0.419 5.585 16.109 1.00 0.00 C ATOM 2076 HA LEU A 129 -0.730 3.596 19.547 1.00 0.00 H ATOM 2077 HB2 LEU A 129 1.274 3.399 18.623 1.00 0.00 H ATOM 2078 HB3 LEU A 129 0.443 3.076 17.084 1.00 0.00 H ATOM 2079 HG LEU A 129 1.315 5.814 18.028 1.00 0.00 H ATOM 2080 HD21 LEU A 129 0.320 4.818 15.341 1.00 0.00 H ATOM 2081 HD22 LEU A 129 -0.569 5.862 16.477 1.00 0.00 H ATOM 2082 HD23 LEU A 129 0.910 6.462 15.688 1.00 0.00 H ATOM 2083 HD11 LEU A 129 3.260 4.385 17.646 1.00 0.00 H ATOM 2084 HD12 LEU A 129 2.626 3.926 16.046 1.00 0.00 H ATOM 2085 HD13 LEU A 129 3.117 5.608 16.360 1.00 0.00 H ATOM 2086 H LEU A 129 -1.711 3.215 16.793 1.00 0.00 H TER 2087 LEU A 129 HETATM 2088 MG MG A 1 -3.213 -2.850 -9.517 1.00 0.00 MG HETATM 2089 O HOH 2 -4.063 -4.207 -10.892 1.00 0.00 O HETATM 2090 O HOH 3 -5.145 -2.198 -8.973 1.00 0.00 O HETATM 2091 O3P UNN A 4 -9.676 -6.841 -7.751 1.00 -0.55 O HETATM 2092 P UNN A 4 -9.354 -7.643 -6.393 1.00 0.20 P HETATM 2093 O1P UNN A 4 -8.861 -8.993 -6.748 1.00 -0.55 O HETATM 2094 O2P UNN A 4 -10.522 -7.517 -5.493 1.00 -0.55 O HETATM 2095 O5 UNN A 4 -8.134 -6.793 -5.777 1.00 -0.27 O HETATM 2096 C5 UNN A 4 -7.372 -7.321 -4.688 1.00 0.11 C HETATM 2097 C4 UNN A 4 -8.261 -7.576 -3.469 1.00 0.12 C HETATM 2098 O4 UNN A 4 -9.352 -8.496 -3.578 1.00 -0.34 O HETATM 2099 C1 UNN A 4 -9.290 -9.735 -2.858 1.00 0.17 C HETATM 2100 C2 UNN A 4 -8.110 -9.481 -1.915 1.00 0.03 C HETATM 2101 C3 UNN A 4 -7.470 -8.140 -2.287 1.00 0.09 C HETATM 2102 O3 UNN A 4 -7.461 -7.235 -1.179 1.00 -0.39 O HETATM 2103 H5 UNN A 4 -6.963 -7.615 -0.465 1.00 0.21 H HETATM 2104 H4 UNN A 4 -6.429 -8.312 -2.599 1.00 0.06 H HETATM 2105 H6 UNN A 4 -8.467 -9.446 -0.875 1.00 0.03 H HETATM 2106 H7 UNN A 4 -7.370 -10.288 -2.022 1.00 0.03 H HETATM 2107 N9 UNN A 4 -9.380 -11.088 -3.451 1.00 -0.18 N HETATM 2108 C8 UNN A 4 -8.332 -11.634 -4.143 1.00 0.30 C HETATM 2109 N7 UNN A 4 -8.783 -12.867 -4.531 1.00 -0.24 N HETATM 2110 C5 UNN A 4 -10.064 -13.088 -4.099 1.00 0.14 C HETATM 2111 C6 UNN A 4 -10.948 -14.105 -4.203 1.00 0.22 C HETATM 2112 O6 UNN A 4 -10.596 -15.157 -4.842 1.00 -0.42 O HETATM 2113 N1 UNN A 4 -12.223 -14.060 -3.650 1.00 -0.19 N HETATM 2114 C2 UNN A 4 -12.580 -12.926 -2.971 1.00 0.23 C HETATM 2115 N2 UNN A 4 -13.808 -12.886 -2.438 1.00 -0.28 N HETATM 2116 H11 UNN A 4 -14.117 -12.052 -1.919 1.00 0.19 H HETATM 2117 H12 UNN A 4 -14.443 -13.689 -2.547 1.00 0.19 H HETATM 2118 N3 UNN A 4 -11.740 -11.819 -2.806 1.00 -0.29 N HETATM 2119 C4 UNN A 4 -10.461 -11.961 -3.407 1.00 0.11 C HETATM 2120 H10 UNN A 4 -12.856 -14.828 -3.745 1.00 0.25 H HETATM 2121 H9 UNN A 4 -8.246 -13.523 -5.062 1.00 0.21 H HETATM 2122 O8 UNN A 4 -7.188 -11.109 -4.376 1.00 -0.41 O HETATM 2123 H8 UNN A 4 -10.190 -9.719 -2.225 1.00 0.09 H HETATM 2124 H3 UNN A 4 -8.677 -6.597 -3.190 1.00 0.06 H HETATM 2125 H1 UNN A 4 -6.587 -6.601 -4.416 1.00 0.06 H HETATM 2126 H2 UNN A 4 -6.908 -8.269 -5.000 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 605 604 2088 CONECT 837 836 2088 CONECT 888 887 2088 CONECT 904 902 2088 CONECT 2088 605 837 888 904 CONECT 2091 2092 CONECT 2092 2091 2093 2094 2095 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 2096 CONECT 2096 2095 2097 2125 2126 CONECT 2097 2096 2098 2101 2124 CONECT 2098 2097 2099 CONECT 2099 2098 2100 2107 2123 CONECT 2100 2099 2101 2105 2106 CONECT 2101 2097 2100 2102 2104 CONECT 2102 2101 2103 CONECT 2103 2102 CONECT 2104 2101 CONECT 2105 2100 CONECT 2106 2100 CONECT 2107 2099 2108 2119 CONECT 2108 2107 2109 2122 CONECT 2109 2108 2110 2121 CONECT 2110 2109 2111 2119 CONECT 2111 2110 2112 2113 CONECT 2112 2111 CONECT 2113 2111 2114 2120 CONECT 2114 2113 2115 2118 CONECT 2115 2114 2116 2117 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2114 2119 CONECT 2119 2107 2110 2118 CONECT 2120 2113 CONECT 2121 2109 CONECT 2122 2108 CONECT 2123 2099 CONECT 2124 2097 CONECT 2125 2096 CONECT 2126 2096 MASTER 0 0 0 0 0 0 0 0 2125 1 45 10 END
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Related entries of code: 1pun
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ppx
RCSB PDB
PDBbind
129aa, >1PPX_1|Chain... *
1puq
RCSB PDB
PDBbind
129aa, >1PUQ_1|Chain... at 100%
1pus
RCSB PDB
PDBbind
129aa, >1PUS_1|Chain... at 100%
3a6t
RCSB PDB
PDBbind
129aa, >3A6T_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ppx
RCSB PDB
PDBbind
8OG
1puq
RCSB PDB
PDBbind
8OG
1pus
RCSB PDB
PDBbind
8OG
3a6t
RCSB PDB
PDBbind
8OG
Entry Information
PDB ID
1pun
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mutator mutt protein
Ligand Name
8OG
EC.Number
E.C.3.6.1.0
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=52nM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v42 pp. 10140-54, 2003
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
8
P
Molecular Weight
364.229
Exact Mass
364.066
No. of atoms
39
No. of bonds
41
Polar Surface Area
222.53
LOGP Value
-4.40 (
Computed with XLOGP3
)
-2.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)O)n1c(=O)[nH]c2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C10H16N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16,19-21,24H,1-2H2,(H,12,18)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08337
Entrez Gene ID
NCBI Entrez Gene ID:
944824
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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