Browse entries in the PDBbind-CN Database
HEADER 3OBQ_COMPLEX COMPND 3OBQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 ALA VAL SER GLU SER GLN LEU LYS LYS MET VAL SER LYS SEQRES 2 A 141 TYR LYS TYR ARG ASP LEU THR VAL ARG GLU THR VAL ASN SEQRES 3 A 141 VAL ILE THR LEU TYR LYS ASP LEU LYS PRO VAL LEU ASP SEQRES 4 A 141 SER TYR GLY THR GLY SER ARG GLU LEU MET ASN LEU THR SEQRES 5 A 141 GLY THR ILE PRO VAL PRO TYR ARG GLY ASN THR TYR ASN SEQRES 6 A 141 ILE PRO ILE CYS LEU TRP LEU LEU ASP THR TYR PRO TYR SEQRES 7 A 141 ASN PRO PRO ILE CYS PHE VAL LYS PRO THR SER SER MET SEQRES 8 A 141 THR ILE LYS THR GLY LYS HIS VAL ASP ALA ASN GLY LYS SEQRES 9 A 141 ILE TYR LEU PRO TYR LEU HIS GLU TRP LYS HIS PRO GLN SEQRES 10 A 141 SER ASP LEU LEU GLY LEU ILE GLN VAL MET ILE VAL VAL SEQRES 11 A 141 PHE GLY ASP GLU PRO PRO VAL PHE SER ARG PRO HET PRO A 340 129 ATOM 1 N ALA A 2 -11.285 11.642 3.155 1.00 58.07 N ATOM 2 CA ALA A 2 -12.619 12.280 3.335 1.00 57.02 C ATOM 3 C ALA A 2 -12.771 13.484 2.410 1.00 56.29 C ATOM 4 O ALA A 2 -12.978 14.608 2.868 1.00 57.51 O ATOM 5 CB ALA A 2 -12.797 12.710 4.786 1.00 58.00 C ATOM 6 HA ALA A 2 -13.389 11.551 3.080 1.00 0.00 H ATOM 7 HB1 ALA A 2 -12.725 11.836 5.434 1.00 0.00 H ATOM 8 HB2 ALA A 2 -12.018 13.425 5.050 1.00 0.00 H ATOM 9 HB3 ALA A 2 -13.775 13.175 4.908 1.00 0.00 H ATOM 10 HN3 ALA A 2 -10.539 12.332 3.376 1.00 0.00 H ATOM 11 HN2 ALA A 2 -11.184 11.324 2.170 1.00 0.00 H ATOM 12 HN1 ALA A 2 -11.204 10.825 3.794 1.00 0.00 H ATOM 13 N VAL A 3 -12.668 13.242 1.107 1.00 53.37 N ATOM 14 CA VAL A 3 -12.793 14.306 0.118 1.00 49.38 C ATOM 15 C VAL A 3 -14.255 14.652 -0.143 1.00 44.57 C ATOM 16 O VAL A 3 -15.153 13.867 0.161 1.00 45.77 O ATOM 17 CB VAL A 3 -12.130 13.904 -1.216 1.00 52.08 C ATOM 18 CG1 VAL A 3 -10.641 13.681 -1.009 1.00 53.56 C ATOM 19 CG2 VAL A 3 -12.784 12.645 -1.762 1.00 53.68 C ATOM 20 HA VAL A 3 -12.286 15.180 0.527 1.00 0.00 H ATOM 21 HB VAL A 3 -12.265 14.709 -1.939 1.00 0.00 H ATOM 22 HG11 VAL A 3 -10.185 14.601 -0.643 1.00 0.00 H ATOM 23 HG12 VAL A 3 -10.492 12.885 -0.279 1.00 0.00 H ATOM 24 HG13 VAL A 3 -10.182 13.398 -1.956 1.00 0.00 H ATOM 25 HG21 VAL A 3 -12.665 11.834 -1.043 1.00 0.00 H ATOM 26 HG22 VAL A 3 -13.845 12.832 -1.930 1.00 0.00 H ATOM 27 HG23 VAL A 3 -12.309 12.369 -2.704 1.00 0.00 H ATOM 28 H VAL A 3 -12.494 12.269 0.785 1.00 0.00 H ATOM 29 N SER A 4 -14.487 15.833 -0.708 1.00 36.25 N ATOM 30 CA SER A 4 -15.842 16.286 -1.009 1.00 28.61 C ATOM 31 C SER A 4 -15.955 16.717 -2.464 1.00 23.97 C ATOM 32 O SER A 4 -14.953 17.022 -3.111 1.00 18.82 O ATOM 33 CB SER A 4 -16.218 17.464 -0.108 1.00 27.66 C ATOM 34 OG SER A 4 -15.433 18.603 -0.414 1.00 24.00 O ATOM 35 HA SER A 4 -16.523 15.454 -0.829 1.00 0.00 H ATOM 36 HB2 SER A 4 -16.053 17.185 0.933 1.00 0.00 H ATOM 37 HB3 SER A 4 -17.271 17.705 -0.256 1.00 0.00 H ATOM 38 HG SER A 4 -14.476 18.389 -0.278 1.00 0.00 H ATOM 39 H SER A 4 -13.683 16.450 -0.941 1.00 0.00 H ATOM 40 N GLU A 5 -17.181 16.747 -2.974 1.00 20.85 N ATOM 41 CA GLU A 5 -17.415 17.152 -4.351 1.00 19.05 C ATOM 42 C GLU A 5 -16.909 18.567 -4.602 1.00 18.56 C ATOM 43 O GLU A 5 -16.428 18.876 -5.691 1.00 13.70 O ATOM 44 CB GLU A 5 -18.906 17.048 -4.685 1.00 19.83 C ATOM 45 CG GLU A 5 -19.368 15.613 -4.902 1.00 26.28 C ATOM 46 CD GLU A 5 -20.857 15.497 -5.153 1.00 28.00 C ATOM 47 OE1 GLU A 5 -21.381 16.244 -6.007 1.00 30.65 O ATOM 48 OE2 GLU A 5 -21.503 14.648 -4.504 1.00 33.81 O ATOM 49 HA GLU A 5 -16.859 16.478 -5.003 1.00 0.00 H ATOM 50 HB2 GLU A 5 -19.478 17.477 -3.862 1.00 0.00 H ATOM 51 HB3 GLU A 5 -19.099 17.617 -5.595 1.00 0.00 H ATOM 52 HG2 GLU A 5 -18.838 15.205 -5.763 1.00 0.00 H ATOM 53 HG3 GLU A 5 -19.120 15.031 -4.015 1.00 0.00 H ATOM 54 H GLU A 5 -17.989 16.476 -2.378 1.00 0.00 H ATOM 55 N SER A 6 -17.007 19.422 -3.589 1.00 17.95 N ATOM 56 CA SER A 6 -16.543 20.798 -3.713 1.00 19.85 C ATOM 57 C SER A 6 -15.036 20.822 -3.957 1.00 18.16 C ATOM 58 O SER A 6 -14.552 21.532 -4.842 1.00 18.75 O ATOM 59 CB SER A 6 -16.873 21.586 -2.442 1.00 20.12 C ATOM 60 OG SER A 6 -16.452 22.934 -2.559 1.00 32.16 O ATOM 61 HA SER A 6 -17.051 21.262 -4.559 1.00 0.00 H ATOM 62 HB2 SER A 6 -16.365 21.126 -1.594 1.00 0.00 H ATOM 63 HB3 SER A 6 -17.950 21.561 -2.276 1.00 0.00 H ATOM 64 HG SER A 6 -15.473 22.961 -2.706 1.00 0.00 H ATOM 65 H SER A 6 -17.423 19.103 -2.691 1.00 0.00 H ATOM 66 N GLN A 7 -14.299 20.042 -3.172 1.00 16.84 N ATOM 67 CA GLN A 7 -12.849 19.980 -3.316 1.00 20.07 C ATOM 68 C GLN A 7 -12.456 19.383 -4.663 1.00 17.38 C ATOM 69 O GLN A 7 -11.503 19.835 -5.296 1.00 18.60 O ATOM 70 CB GLN A 7 -12.229 19.152 -2.187 1.00 24.57 C ATOM 71 CG GLN A 7 -10.719 18.988 -2.320 1.00 33.66 C ATOM 72 CD GLN A 7 -10.092 18.253 -1.149 1.00 39.44 C ATOM 73 OE1 GLN A 7 -8.893 17.971 -1.150 1.00 42.23 O ATOM 74 NE2 GLN A 7 -10.900 17.943 -0.141 1.00 41.34 N ATOM 75 HA GLN A 7 -12.469 21.000 -3.262 1.00 0.00 H ATOM 76 HB2 GLN A 7 -12.442 19.645 -1.239 1.00 0.00 H ATOM 77 HB3 GLN A 7 -12.687 18.163 -2.191 1.00 0.00 H ATOM 78 HG2 GLN A 7 -10.510 18.429 -3.232 1.00 0.00 H ATOM 79 HG3 GLN A 7 -10.268 19.978 -2.390 1.00 0.00 H ATOM 80 HE22 GLN A 7 -11.907 18.201 -0.183 1.00 0.00 H ATOM 81 HE21 GLN A 7 -10.526 17.442 0.690 1.00 0.00 H ATOM 82 H GLN A 7 -14.765 19.466 -2.442 1.00 0.00 H ATOM 83 N LEU A 8 -13.192 18.367 -5.099 1.00 13.59 N ATOM 84 CA LEU A 8 -12.907 17.726 -6.376 1.00 11.63 C ATOM 85 C LEU A 8 -13.109 18.703 -7.534 1.00 13.70 C ATOM 86 O LEU A 8 -12.310 18.736 -8.472 1.00 11.95 O ATOM 87 CB LEU A 8 -13.806 16.499 -6.561 1.00 9.16 C ATOM 88 CG LEU A 8 -13.547 15.311 -5.626 1.00 10.20 C ATOM 89 CD1 LEU A 8 -14.646 14.276 -5.791 1.00 12.39 C ATOM 90 CD2 LEU A 8 -12.185 14.701 -5.932 1.00 12.73 C ATOM 91 HA LEU A 8 -11.864 17.409 -6.374 1.00 0.00 H ATOM 92 HB2 LEU A 8 -14.837 16.819 -6.412 1.00 0.00 H ATOM 93 HB3 LEU A 8 -13.680 16.148 -7.585 1.00 0.00 H ATOM 94 HG LEU A 8 -13.549 15.657 -4.592 1.00 0.00 H ATOM 95 HD21 LEU A 8 -12.166 14.357 -6.966 1.00 0.00 H ATOM 96 HD22 LEU A 8 -11.410 15.453 -5.784 1.00 0.00 H ATOM 97 HD23 LEU A 8 -12.008 13.858 -5.264 1.00 0.00 H ATOM 98 HD11 LEU A 8 -15.607 14.726 -5.544 1.00 0.00 H ATOM 99 HD12 LEU A 8 -14.662 13.926 -6.823 1.00 0.00 H ATOM 100 HD13 LEU A 8 -14.455 13.436 -5.124 1.00 0.00 H ATOM 101 H LEU A 8 -13.984 18.023 -4.520 1.00 0.00 H ATOM 102 N LYS A 9 -14.173 19.500 -7.467 1.00 12.78 N ATOM 103 CA LYS A 9 -14.461 20.474 -8.516 1.00 15.91 C ATOM 104 C LYS A 9 -13.286 21.430 -8.639 1.00 16.66 C ATOM 105 O LYS A 9 -12.943 21.878 -9.733 1.00 17.56 O ATOM 106 CB LYS A 9 -15.734 21.258 -8.183 1.00 16.68 C ATOM 107 CG LYS A 9 -16.990 20.409 -8.133 1.00 23.92 C ATOM 108 CD LYS A 9 -18.205 21.240 -7.755 1.00 30.94 C ATOM 109 CE LYS A 9 -19.446 20.372 -7.625 1.00 29.83 C ATOM 110 NZ LYS A 9 -20.642 21.174 -7.246 1.00 37.41 N ATOM 111 HA LYS A 9 -14.615 19.951 -9.460 1.00 0.00 H ATOM 112 HB2 LYS A 9 -15.601 21.730 -7.210 1.00 0.00 H ATOM 113 HB3 LYS A 9 -15.871 22.028 -8.943 1.00 0.00 H ATOM 114 HG2 LYS A 9 -17.156 19.963 -9.113 1.00 0.00 H ATOM 115 HG3 LYS A 9 -16.856 19.619 -7.394 1.00 0.00 H ATOM 116 HD2 LYS A 9 -18.015 21.735 -6.802 1.00 0.00 H ATOM 117 HD3 LYS A 9 -18.376 21.992 -8.526 1.00 0.00 H ATOM 118 HE2 LYS A 9 -19.270 19.616 -6.860 1.00 0.00 H ATOM 119 HE3 LYS A 9 -19.637 19.883 -8.580 1.00 0.00 H ATOM 120 HZ1 LYS A 9 -20.470 21.640 -6.332 1.00 0.00 H ATOM 121 HZ2 LYS A 9 -20.820 21.894 -7.975 1.00 0.00 H ATOM 122 HZ3 LYS A 9 -21.468 20.547 -7.167 1.00 0.00 H ATOM 123 H LYS A 9 -14.813 19.427 -6.650 1.00 0.00 H ATOM 124 N LYS A 10 -12.678 21.733 -7.499 1.00 17.82 N ATOM 125 CA LYS A 10 -11.521 22.614 -7.429 1.00 22.93 C ATOM 126 C LYS A 10 -10.359 22.022 -8.226 1.00 20.03 C ATOM 127 O LYS A 10 -9.747 22.703 -9.051 1.00 21.05 O ATOM 128 CB LYS A 10 -11.121 22.795 -5.960 1.00 27.29 C ATOM 129 CG LYS A 10 -9.688 23.236 -5.712 1.00 32.88 C ATOM 130 CD LYS A 10 -9.381 23.200 -4.219 1.00 37.24 C ATOM 131 CE LYS A 10 -7.907 23.432 -3.933 1.00 40.01 C ATOM 132 NZ LYS A 10 -7.613 23.381 -2.471 1.00 42.84 N ATOM 133 HA LYS A 10 -11.772 23.583 -7.860 1.00 0.00 H ATOM 134 HB2 LYS A 10 -11.782 23.544 -5.524 1.00 0.00 H ATOM 135 HB3 LYS A 10 -11.270 21.842 -5.453 1.00 0.00 H ATOM 136 HG2 LYS A 10 -9.008 22.565 -6.237 1.00 0.00 H ATOM 137 HG3 LYS A 10 -9.553 24.252 -6.084 1.00 0.00 H ATOM 138 HD2 LYS A 10 -9.962 23.976 -3.721 1.00 0.00 H ATOM 139 HD3 LYS A 10 -9.667 22.225 -3.825 1.00 0.00 H ATOM 140 HE2 LYS A 10 -7.622 24.412 -4.317 1.00 0.00 H ATOM 141 HE3 LYS A 10 -7.324 22.662 -4.438 1.00 0.00 H ATOM 142 HZ1 LYS A 10 -8.161 24.117 -1.982 1.00 0.00 H ATOM 143 HZ2 LYS A 10 -7.876 22.446 -2.098 1.00 0.00 H ATOM 144 HZ3 LYS A 10 -6.597 23.544 -2.317 1.00 0.00 H ATOM 145 H LYS A 10 -13.044 21.323 -6.616 1.00 0.00 H ATOM 146 N MET A 11 -10.073 20.745 -7.983 1.00 14.62 N ATOM 147 CA MET A 11 -8.980 20.046 -8.655 1.00 13.02 C ATOM 148 C MET A 11 -9.086 20.032 -10.176 1.00 12.20 C ATOM 149 O MET A 11 -8.069 20.002 -10.868 1.00 11.04 O ATOM 150 CB MET A 11 -8.897 18.591 -8.182 1.00 14.00 C ATOM 151 CG MET A 11 -8.764 18.387 -6.687 1.00 18.27 C ATOM 152 SD MET A 11 -8.604 16.627 -6.300 1.00 24.72 S ATOM 153 CE MET A 11 -7.017 16.606 -5.487 1.00 28.15 C ATOM 154 HA MET A 11 -8.086 20.609 -8.387 1.00 0.00 H ATOM 155 HB2 MET A 11 -9.803 18.081 -8.509 1.00 0.00 H ATOM 156 HB3 MET A 11 -8.031 18.133 -8.660 1.00 0.00 H ATOM 157 HG2 MET A 11 -9.649 18.785 -6.190 1.00 0.00 H ATOM 158 HG3 MET A 11 -7.880 18.915 -6.330 1.00 0.00 H ATOM 159 HE1 MET A 11 -6.254 16.974 -6.173 1.00 0.00 H ATOM 160 HE2 MET A 11 -7.053 17.246 -4.605 1.00 0.00 H ATOM 161 HE3 MET A 11 -6.777 15.586 -5.188 1.00 0.00 H ATOM 162 H MET A 11 -10.648 20.226 -7.290 1.00 0.00 H ATOM 163 N VAL A 12 -10.309 20.047 -10.694 1.00 10.08 N ATOM 164 CA VAL A 12 -10.515 19.985 -12.137 1.00 9.26 C ATOM 165 C VAL A 12 -10.901 21.300 -12.813 1.00 7.87 C ATOM 166 O VAL A 12 -11.551 21.292 -13.853 1.00 7.30 O ATOM 167 CB VAL A 12 -11.582 18.916 -12.482 1.00 10.44 C ATOM 168 CG1 VAL A 12 -11.134 17.556 -11.973 1.00 12.27 C ATOM 169 CG2 VAL A 12 -12.925 19.294 -11.865 1.00 13.71 C ATOM 170 HA VAL A 12 -9.534 19.724 -12.534 1.00 0.00 H ATOM 171 HB VAL A 12 -11.698 18.868 -13.565 1.00 0.00 H ATOM 172 HG11 VAL A 12 -10.189 17.287 -12.444 1.00 0.00 H ATOM 173 HG12 VAL A 12 -11.004 17.599 -10.892 1.00 0.00 H ATOM 174 HG13 VAL A 12 -11.890 16.810 -12.220 1.00 0.00 H ATOM 175 HG21 VAL A 12 -12.821 19.358 -10.782 1.00 0.00 H ATOM 176 HG22 VAL A 12 -13.245 20.259 -12.258 1.00 0.00 H ATOM 177 HG23 VAL A 12 -13.665 18.534 -12.115 1.00 0.00 H ATOM 178 H VAL A 12 -11.132 20.104 -10.061 1.00 0.00 H ATOM 179 N SER A 13 -10.472 22.422 -12.244 1.00 10.74 N ATOM 180 CA SER A 13 -10.786 23.738 -12.800 1.00 8.62 C ATOM 181 C SER A 13 -10.428 23.907 -14.277 1.00 10.62 C ATOM 182 O SER A 13 -11.107 24.634 -15.004 1.00 10.60 O ATOM 183 CB SER A 13 -10.077 24.832 -11.993 1.00 16.40 C ATOM 184 OG SER A 13 -10.481 24.811 -10.635 1.00 29.16 O ATOM 185 HA SER A 13 -11.870 23.828 -12.729 1.00 0.00 H ATOM 186 HB2 SER A 13 -10.320 25.804 -12.422 1.00 0.00 H ATOM 187 HB3 SER A 13 -9.000 24.672 -12.046 1.00 0.00 H ATOM 188 HG SER A 13 -11.458 24.961 -10.580 1.00 0.00 H ATOM 189 H SER A 13 -9.897 22.363 -11.379 1.00 0.00 H ATOM 190 N LYS A 14 -9.361 23.243 -14.715 1.00 7.40 N ATOM 191 CA LYS A 14 -8.895 23.340 -16.098 1.00 7.49 C ATOM 192 C LYS A 14 -9.472 22.280 -17.034 1.00 5.86 C ATOM 193 O LYS A 14 -9.189 22.287 -18.232 1.00 7.38 O ATOM 194 CB LYS A 14 -7.367 23.246 -16.134 1.00 9.87 C ATOM 195 CG LYS A 14 -6.631 24.425 -15.520 1.00 17.53 C ATOM 196 CD LYS A 14 -6.666 25.631 -16.441 1.00 20.21 C ATOM 197 CE LYS A 14 -5.643 26.676 -16.022 1.00 26.69 C ATOM 198 NZ LYS A 14 -5.547 27.781 -17.016 1.00 26.03 N ATOM 199 HA LYS A 14 -9.249 24.305 -16.461 1.00 0.00 H ATOM 200 HB2 LYS A 14 -7.072 22.346 -15.595 1.00 0.00 H ATOM 201 HB3 LYS A 14 -7.059 23.161 -17.176 1.00 0.00 H ATOM 202 HG2 LYS A 14 -7.104 24.686 -14.573 1.00 0.00 H ATOM 203 HG3 LYS A 14 -5.593 24.143 -15.341 1.00 0.00 H ATOM 204 HD2 LYS A 14 -6.447 25.308 -17.459 1.00 0.00 H ATOM 205 HD3 LYS A 14 -7.661 26.075 -16.408 1.00 0.00 H ATOM 206 HE2 LYS A 14 -4.668 26.199 -15.928 1.00 0.00 H ATOM 207 HE3 LYS A 14 -5.936 27.092 -15.058 1.00 0.00 H ATOM 208 HZ1 LYS A 14 -5.261 27.393 -17.938 1.00 0.00 H ATOM 209 HZ2 LYS A 14 -6.473 28.246 -17.106 1.00 0.00 H ATOM 210 HZ3 LYS A 14 -4.840 28.473 -16.696 1.00 0.00 H ATOM 211 H LYS A 14 -8.841 22.634 -14.051 1.00 0.00 H ATOM 212 N TYR A 15 -10.263 21.363 -16.483 1.00 5.12 N ATOM 213 CA TYR A 15 -10.869 20.291 -17.268 1.00 5.04 C ATOM 214 C TYR A 15 -11.985 20.806 -18.163 1.00 4.66 C ATOM 215 O TYR A 15 -12.597 21.830 -17.874 1.00 5.67 O ATOM 216 CB TYR A 15 -11.414 19.202 -16.337 1.00 4.01 C ATOM 217 CG TYR A 15 -10.361 18.243 -15.819 1.00 4.64 C ATOM 218 CD1 TYR A 15 -9.159 18.709 -15.283 1.00 5.35 C ATOM 219 CD2 TYR A 15 -10.572 16.865 -15.860 1.00 6.68 C ATOM 220 CE1 TYR A 15 -8.191 17.820 -14.802 1.00 7.08 C ATOM 221 CE2 TYR A 15 -9.612 15.969 -15.378 1.00 5.36 C ATOM 222 CZ TYR A 15 -8.425 16.456 -14.853 1.00 6.65 C ATOM 223 OH TYR A 15 -7.468 15.579 -14.385 1.00 6.07 O ATOM 224 HA TYR A 15 -10.092 19.874 -17.909 1.00 0.00 H ATOM 225 HB3 TYR A 15 -12.161 18.627 -16.884 1.00 0.00 H ATOM 226 HB2 TYR A 15 -11.885 19.687 -15.482 1.00 0.00 H ATOM 227 HD2 TYR A 15 -11.503 16.479 -16.276 1.00 0.00 H ATOM 228 HE2 TYR A 15 -9.796 14.895 -15.415 1.00 0.00 H ATOM 229 HE1 TYR A 15 -7.257 18.200 -14.389 1.00 0.00 H ATOM 230 HD1 TYR A 15 -8.972 19.782 -15.238 1.00 0.00 H ATOM 231 HH TYR A 15 -7.179 14.984 -15.122 1.00 0.00 H ATOM 232 H TYR A 15 -10.456 21.411 -15.462 1.00 0.00 H ATOM 233 N LYS A 16 -12.245 20.085 -19.247 1.00 4.49 N ATOM 234 CA LYS A 16 -13.283 20.467 -20.202 1.00 5.71 C ATOM 235 C LYS A 16 -14.675 19.980 -19.799 1.00 5.72 C ATOM 236 O LYS A 16 -15.682 20.557 -20.207 1.00 6.60 O ATOM 237 CB LYS A 16 -12.944 19.900 -21.580 1.00 7.25 C ATOM 238 CG LYS A 16 -12.943 20.904 -22.716 1.00 22.39 C ATOM 239 CD LYS A 16 -11.955 22.035 -22.481 1.00 9.48 C ATOM 240 CE LYS A 16 -11.280 22.436 -23.782 1.00 17.68 C ATOM 241 NZ LYS A 16 -10.912 23.875 -23.827 1.00 11.44 N ATOM 242 HA LYS A 16 -13.308 21.557 -20.220 1.00 0.00 H ATOM 243 HB2 LYS A 16 -11.951 19.454 -21.525 1.00 0.00 H ATOM 244 HB3 LYS A 16 -13.676 19.127 -21.815 1.00 0.00 H ATOM 245 HG2 LYS A 16 -12.676 20.390 -23.639 1.00 0.00 H ATOM 246 HG3 LYS A 16 -13.943 21.326 -22.813 1.00 0.00 H ATOM 247 HD2 LYS A 16 -12.486 22.895 -22.073 1.00 0.00 H ATOM 248 HD3 LYS A 16 -11.197 21.706 -21.770 1.00 0.00 H ATOM 249 HE2 LYS A 16 -11.962 22.226 -24.606 1.00 0.00 H ATOM 250 HE3 LYS A 16 -10.374 21.842 -23.901 1.00 0.00 H ATOM 251 HZ1 LYS A 16 -11.770 24.454 -23.724 1.00 0.00 H ATOM 252 HZ2 LYS A 16 -10.253 24.088 -23.051 1.00 0.00 H ATOM 253 HZ3 LYS A 16 -10.456 24.087 -24.738 1.00 0.00 H ATOM 254 H LYS A 16 -11.693 19.221 -19.422 1.00 0.00 H ATOM 255 N TYR A 17 -14.724 18.921 -18.998 1.00 4.39 N ATOM 256 CA TYR A 17 -15.986 18.322 -18.558 1.00 4.17 C ATOM 257 C TYR A 17 -15.821 18.075 -17.063 1.00 5.14 C ATOM 258 O TYR A 17 -15.568 16.955 -16.615 1.00 6.93 O ATOM 259 CB TYR A 17 -16.200 17.010 -19.319 1.00 5.03 C ATOM 260 CG TYR A 17 -15.891 17.133 -20.797 1.00 4.70 C ATOM 261 CD1 TYR A 17 -16.745 17.828 -21.654 1.00 6.50 C ATOM 262 CD2 TYR A 17 -14.720 16.593 -21.330 1.00 5.27 C ATOM 263 CE1 TYR A 17 -16.438 17.987 -23.010 1.00 6.28 C ATOM 264 CE2 TYR A 17 -14.401 16.744 -22.681 1.00 4.62 C ATOM 265 CZ TYR A 17 -15.266 17.442 -23.515 1.00 6.96 C ATOM 266 OH TYR A 17 -14.963 17.592 -24.851 1.00 9.46 O ATOM 267 HA TYR A 17 -16.851 18.957 -18.749 1.00 0.00 H ATOM 268 HB3 TYR A 17 -17.240 16.706 -19.204 1.00 0.00 H ATOM 269 HB2 TYR A 17 -15.550 16.247 -18.889 1.00 0.00 H ATOM 270 HD2 TYR A 17 -14.041 16.042 -20.679 1.00 0.00 H ATOM 271 HE2 TYR A 17 -13.480 16.317 -23.079 1.00 0.00 H ATOM 272 HE1 TYR A 17 -17.115 18.535 -23.665 1.00 0.00 H ATOM 273 HD1 TYR A 17 -17.668 18.255 -21.260 1.00 0.00 H ATOM 274 HH TYR A 17 -15.680 18.111 -25.295 1.00 0.00 H ATOM 275 H TYR A 17 -13.831 18.501 -18.671 1.00 0.00 H ATOM 276 N ARG A 18 -15.989 19.148 -16.302 1.00 6.31 N ATOM 277 CA ARG A 18 -15.786 19.143 -14.865 1.00 5.84 C ATOM 278 C ARG A 18 -16.772 18.333 -14.025 1.00 6.99 C ATOM 279 O ARG A 18 -16.360 17.421 -13.300 1.00 5.95 O ATOM 280 CB ARG A 18 -15.683 20.606 -14.409 1.00 5.67 C ATOM 281 CG ARG A 18 -14.581 21.341 -15.204 1.00 6.54 C ATOM 282 CD ARG A 18 -14.570 22.859 -15.033 1.00 6.69 C ATOM 283 NE ARG A 18 -15.720 23.522 -15.649 1.00 6.39 N ATOM 284 CZ ARG A 18 -15.916 23.663 -16.958 1.00 6.51 C ATOM 285 NH1 ARG A 18 -15.042 23.188 -17.838 1.00 7.68 N ATOM 286 NH2 ARG A 18 -16.997 24.297 -17.392 1.00 7.64 N ATOM 287 HA ARG A 18 -14.862 18.595 -14.680 1.00 0.00 H ATOM 288 HB2 ARG A 18 -16.639 21.103 -14.576 1.00 0.00 H ATOM 289 HB3 ARG A 18 -15.440 20.635 -13.347 1.00 0.00 H ATOM 290 HG2 ARG A 18 -13.614 20.956 -14.879 1.00 0.00 H ATOM 291 HG3 ARG A 18 -14.721 21.120 -16.262 1.00 0.00 H ATOM 292 HD2 ARG A 18 -13.660 23.252 -15.487 1.00 0.00 H ATOM 293 HD3 ARG A 18 -14.570 23.087 -13.967 1.00 0.00 H ATOM 294 HE ARG A 18 -16.443 23.915 -15.013 1.00 0.00 H ATOM 295 HH12 ARG A 18 -15.213 23.308 -18.857 1.00 0.00 H ATOM 296 HH11 ARG A 18 -14.187 22.696 -17.508 1.00 0.00 H ATOM 297 HH22 ARG A 18 -17.158 24.412 -18.413 1.00 0.00 H ATOM 298 HH21 ARG A 18 -17.684 24.680 -16.711 1.00 0.00 H ATOM 299 H ARG A 18 -16.280 20.036 -16.757 1.00 0.00 H ATOM 300 N ASP A 19 -18.062 18.640 -14.120 1.00 6.37 N ATOM 301 CA ASP A 19 -19.054 17.898 -13.350 1.00 6.51 C ATOM 302 C ASP A 19 -19.068 16.419 -13.716 1.00 7.15 C ATOM 303 O ASP A 19 -19.241 15.570 -12.844 1.00 8.06 O ATOM 304 CB ASP A 19 -20.463 18.472 -13.547 1.00 5.71 C ATOM 305 CG ASP A 19 -20.676 19.786 -12.819 1.00 10.59 C ATOM 306 OD1 ASP A 19 -19.930 20.073 -11.856 1.00 16.48 O ATOM 307 OD2 ASP A 19 -21.611 20.526 -13.197 1.00 12.12 O ATOM 308 HA ASP A 19 -18.765 18.000 -12.304 1.00 0.00 H ATOM 309 HB2 ASP A 19 -20.626 18.635 -14.612 1.00 0.00 H ATOM 310 HB3 ASP A 19 -21.188 17.748 -13.176 1.00 0.00 H ATOM 311 H ASP A 19 -18.365 19.413 -14.746 1.00 0.00 H ATOM 312 N LEU A 20 -18.897 16.098 -14.996 1.00 5.55 N ATOM 313 CA LEU A 20 -18.900 14.696 -15.397 1.00 7.14 C ATOM 314 C LEU A 20 -17.724 13.949 -14.775 1.00 6.12 C ATOM 315 O LEU A 20 -17.856 12.795 -14.373 1.00 7.91 O ATOM 316 CB LEU A 20 -18.863 14.568 -16.922 1.00 7.94 C ATOM 317 CG LEU A 20 -20.167 14.924 -17.644 1.00 7.06 C ATOM 318 CD1 LEU A 20 -19.969 14.824 -19.147 1.00 6.16 C ATOM 319 CD2 LEU A 20 -21.277 13.977 -17.189 1.00 11.17 C ATOM 320 HA LEU A 20 -19.824 14.246 -15.034 1.00 0.00 H ATOM 321 HB2 LEU A 20 -18.080 15.228 -17.296 1.00 0.00 H ATOM 322 HB3 LEU A 20 -18.614 13.536 -17.167 1.00 0.00 H ATOM 323 HG LEU A 20 -20.451 15.947 -17.398 1.00 0.00 H ATOM 324 HD21 LEU A 20 -20.998 12.951 -17.427 1.00 0.00 H ATOM 325 HD22 LEU A 20 -21.419 14.076 -16.113 1.00 0.00 H ATOM 326 HD23 LEU A 20 -22.204 14.232 -17.703 1.00 0.00 H ATOM 327 HD11 LEU A 20 -19.186 15.516 -19.456 1.00 0.00 H ATOM 328 HD12 LEU A 20 -19.679 13.806 -19.407 1.00 0.00 H ATOM 329 HD13 LEU A 20 -20.900 15.079 -19.653 1.00 0.00 H ATOM 330 H LEU A 20 -18.762 16.844 -15.708 1.00 0.00 H ATOM 331 N THR A 21 -16.576 14.613 -14.688 1.00 5.55 N ATOM 332 CA THR A 21 -15.396 13.998 -14.098 1.00 7.45 C ATOM 333 C THR A 21 -15.586 13.832 -12.588 1.00 7.41 C ATOM 334 O THR A 21 -15.279 12.779 -12.028 1.00 6.87 O ATOM 335 CB THR A 21 -14.139 14.841 -14.380 1.00 5.91 C ATOM 336 OG1 THR A 21 -13.865 14.823 -15.788 1.00 6.56 O ATOM 337 CG2 THR A 21 -12.940 14.280 -13.629 1.00 7.26 C ATOM 338 HA THR A 21 -15.261 13.016 -14.551 1.00 0.00 H ATOM 339 HB THR A 21 -14.318 15.863 -14.045 1.00 0.00 H ATOM 340 HG1 THR A 21 -14.637 15.202 -16.278 1.00 0.00 H ATOM 341 HG23 THR A 21 -13.145 14.292 -12.559 1.00 0.00 H ATOM 342 HG21 THR A 21 -12.757 13.256 -13.953 1.00 0.00 H ATOM 343 HG22 THR A 21 -12.063 14.892 -13.839 1.00 0.00 H ATOM 344 H THR A 21 -16.520 15.587 -15.047 1.00 0.00 H ATOM 345 N VAL A 22 -16.108 14.867 -11.934 1.00 6.58 N ATOM 346 CA VAL A 22 -16.342 14.816 -10.494 1.00 6.75 C ATOM 347 C VAL A 22 -17.372 13.747 -10.136 1.00 5.39 C ATOM 348 O VAL A 22 -17.172 12.962 -9.206 1.00 7.01 O ATOM 349 CB VAL A 22 -16.829 16.187 -9.964 1.00 7.14 C ATOM 350 CG1 VAL A 22 -17.303 16.057 -8.525 1.00 8.70 C ATOM 351 CG2 VAL A 22 -15.697 17.204 -10.047 1.00 8.76 C ATOM 352 HA VAL A 22 -15.392 14.563 -10.024 1.00 0.00 H ATOM 353 HB VAL A 22 -17.663 16.526 -10.579 1.00 0.00 H ATOM 354 HG11 VAL A 22 -18.126 15.343 -8.478 1.00 0.00 H ATOM 355 HG12 VAL A 22 -16.480 15.706 -7.903 1.00 0.00 H ATOM 356 HG13 VAL A 22 -17.642 17.029 -8.166 1.00 0.00 H ATOM 357 HG21 VAL A 22 -14.857 16.861 -9.443 1.00 0.00 H ATOM 358 HG22 VAL A 22 -15.381 17.310 -11.085 1.00 0.00 H ATOM 359 HG23 VAL A 22 -16.047 18.166 -9.673 1.00 0.00 H ATOM 360 H VAL A 22 -16.354 15.730 -12.460 1.00 0.00 H ATOM 361 N ARG A 23 -18.472 13.717 -10.878 1.00 7.06 N ATOM 362 CA ARG A 23 -19.532 12.746 -10.629 1.00 7.95 C ATOM 363 C ARG A 23 -19.000 11.312 -10.673 1.00 7.69 C ATOM 364 O ARG A 23 -19.261 10.510 -9.772 1.00 8.54 O ATOM 365 CB ARG A 23 -20.641 12.909 -11.668 1.00 10.38 C ATOM 366 CG ARG A 23 -21.866 12.042 -11.419 1.00 22.11 C ATOM 367 CD ARG A 23 -22.727 11.936 -12.669 1.00 34.19 C ATOM 368 NE ARG A 23 -23.022 13.240 -13.259 1.00 43.43 N ATOM 369 CZ ARG A 23 -23.734 14.192 -12.665 1.00 48.46 C ATOM 370 NH1 ARG A 23 -24.235 13.995 -11.453 1.00 51.59 N ATOM 371 NH2 ARG A 23 -23.945 15.346 -13.286 1.00 51.20 N ATOM 372 HA ARG A 23 -19.928 12.933 -9.631 1.00 0.00 H ATOM 373 HB2 ARG A 23 -20.956 13.952 -11.670 1.00 0.00 H ATOM 374 HB3 ARG A 23 -20.233 12.652 -12.646 1.00 0.00 H ATOM 375 HG2 ARG A 23 -21.542 11.044 -11.124 1.00 0.00 H ATOM 376 HG3 ARG A 23 -22.457 12.483 -10.616 1.00 0.00 H ATOM 377 HD2 ARG A 23 -23.667 11.451 -12.406 1.00 0.00 H ATOM 378 HD3 ARG A 23 -22.200 11.330 -13.406 1.00 0.00 H ATOM 379 HE ARG A 23 -22.649 13.437 -14.210 1.00 0.00 H ATOM 380 HH12 ARG A 23 -24.792 14.743 -10.992 1.00 0.00 H ATOM 381 HH11 ARG A 23 -24.071 13.092 -10.963 1.00 0.00 H ATOM 382 HH22 ARG A 23 -24.502 16.092 -12.822 1.00 0.00 H ATOM 383 HH21 ARG A 23 -23.553 15.504 -14.236 1.00 0.00 H ATOM 384 H ARG A 23 -18.581 14.401 -11.654 1.00 0.00 H ATOM 385 N GLU A 24 -18.247 10.983 -11.716 1.00 7.02 N ATOM 386 CA GLU A 24 -17.715 9.631 -11.831 1.00 7.02 C ATOM 387 C GLU A 24 -16.659 9.342 -10.767 1.00 6.79 C ATOM 388 O GLU A 24 -16.577 8.223 -10.261 1.00 6.15 O ATOM 389 CB GLU A 24 -17.143 9.395 -13.230 1.00 8.35 C ATOM 390 CG GLU A 24 -16.694 7.960 -13.473 1.00 9.11 C ATOM 391 CD GLU A 24 -17.828 6.947 -13.413 1.00 12.64 C ATOM 392 OE1 GLU A 24 -18.959 7.313 -13.023 1.00 11.57 O ATOM 393 OE2 GLU A 24 -17.583 5.772 -13.760 1.00 9.95 O ATOM 394 HA GLU A 24 -18.543 8.941 -11.667 1.00 0.00 H ATOM 395 HB2 GLU A 24 -17.910 9.645 -13.963 1.00 0.00 H ATOM 396 HB3 GLU A 24 -16.284 10.052 -13.367 1.00 0.00 H ATOM 397 HG2 GLU A 24 -16.235 7.905 -14.460 1.00 0.00 H ATOM 398 HG3 GLU A 24 -15.956 7.697 -12.715 1.00 0.00 H ATOM 399 H GLU A 24 -18.037 11.689 -12.450 1.00 0.00 H ATOM 400 N THR A 25 -15.854 10.342 -10.420 1.00 5.31 N ATOM 401 CA THR A 25 -14.842 10.145 -9.390 1.00 7.53 C ATOM 402 C THR A 25 -15.543 9.783 -8.082 1.00 6.88 C ATOM 403 O THR A 25 -15.122 8.864 -7.378 1.00 7.15 O ATOM 404 CB THR A 25 -13.981 11.410 -9.193 1.00 7.47 C ATOM 405 OG1 THR A 25 -13.229 11.656 -10.388 1.00 7.66 O ATOM 406 CG2 THR A 25 -13.013 11.227 -8.034 1.00 8.34 C ATOM 407 HA THR A 25 -14.175 9.341 -9.701 1.00 0.00 H ATOM 408 HB THR A 25 -14.640 12.250 -8.975 1.00 0.00 H ATOM 409 HG1 THR A 25 -13.851 11.791 -11.146 1.00 0.00 H ATOM 410 HG23 THR A 25 -13.575 11.039 -7.119 1.00 0.00 H ATOM 411 HG21 THR A 25 -12.358 10.381 -8.240 1.00 0.00 H ATOM 412 HG22 THR A 25 -12.415 12.131 -7.916 1.00 0.00 H ATOM 413 H THR A 25 -15.947 11.268 -10.885 1.00 0.00 H ATOM 414 N VAL A 26 -16.622 10.494 -7.766 1.00 7.64 N ATOM 415 CA VAL A 26 -17.376 10.212 -6.549 1.00 10.30 C ATOM 416 C VAL A 26 -17.910 8.780 -6.587 1.00 9.15 C ATOM 417 O VAL A 26 -17.840 8.060 -5.587 1.00 10.25 O ATOM 418 CB VAL A 26 -18.550 11.200 -6.378 1.00 8.77 C ATOM 419 CG1 VAL A 26 -19.441 10.756 -5.224 1.00 10.35 C ATOM 420 CG2 VAL A 26 -18.009 12.597 -6.106 1.00 10.63 C ATOM 421 HA VAL A 26 -16.703 10.329 -5.700 1.00 0.00 H ATOM 422 HB VAL A 26 -19.140 11.215 -7.294 1.00 0.00 H ATOM 423 HG11 VAL A 26 -19.836 9.762 -5.433 1.00 0.00 H ATOM 424 HG12 VAL A 26 -18.856 10.730 -4.304 1.00 0.00 H ATOM 425 HG13 VAL A 26 -20.266 11.460 -5.112 1.00 0.00 H ATOM 426 HG21 VAL A 26 -17.412 12.583 -5.194 1.00 0.00 H ATOM 427 HG22 VAL A 26 -17.388 12.914 -6.944 1.00 0.00 H ATOM 428 HG23 VAL A 26 -18.841 13.291 -5.986 1.00 0.00 H ATOM 429 H VAL A 26 -16.933 11.262 -8.395 1.00 0.00 H ATOM 430 N ASN A 27 -18.428 8.359 -7.739 1.00 8.71 N ATOM 431 CA ASN A 27 -18.956 7.001 -7.874 1.00 9.40 C ATOM 432 C ASN A 27 -17.867 5.966 -7.616 1.00 7.53 C ATOM 433 O ASN A 27 -18.099 4.952 -6.958 1.00 11.07 O ATOM 434 CB ASN A 27 -19.526 6.761 -9.278 1.00 10.86 C ATOM 435 CG ASN A 27 -20.778 7.561 -9.551 1.00 11.86 C ATOM 436 OD1 ASN A 27 -21.559 7.845 -8.643 1.00 14.60 O ATOM 437 ND2 ASN A 27 -20.991 7.909 -10.816 1.00 12.03 N ATOM 438 HA ASN A 27 -19.751 6.896 -7.136 1.00 0.00 H ATOM 439 HB2 ASN A 27 -18.770 7.038 -10.012 1.00 0.00 H ATOM 440 HB3 ASN A 27 -19.761 5.702 -9.382 1.00 0.00 H ATOM 441 HD22 ASN A 27 -20.303 7.647 -11.550 1.00 0.00 H ATOM 442 HD21 ASN A 27 -21.846 8.443 -11.071 1.00 0.00 H ATOM 443 H ASN A 27 -18.458 9.004 -8.554 1.00 0.00 H ATOM 444 N VAL A 28 -16.674 6.225 -8.138 1.00 7.54 N ATOM 445 CA VAL A 28 -15.558 5.305 -7.972 1.00 9.03 C ATOM 446 C VAL A 28 -15.077 5.194 -6.529 1.00 10.18 C ATOM 447 O VAL A 28 -14.986 4.091 -5.986 1.00 11.17 O ATOM 448 CB VAL A 28 -14.363 5.718 -8.865 1.00 7.15 C ATOM 449 CG1 VAL A 28 -13.130 4.894 -8.512 1.00 7.77 C ATOM 450 CG2 VAL A 28 -14.722 5.524 -10.329 1.00 10.29 C ATOM 451 HA VAL A 28 -15.937 4.329 -8.274 1.00 0.00 H ATOM 452 HB VAL A 28 -14.139 6.770 -8.691 1.00 0.00 H ATOM 453 HG11 VAL A 28 -12.869 5.062 -7.467 1.00 0.00 H ATOM 454 HG12 VAL A 28 -13.344 3.837 -8.669 1.00 0.00 H ATOM 455 HG13 VAL A 28 -12.298 5.196 -9.148 1.00 0.00 H ATOM 456 HG21 VAL A 28 -14.960 4.475 -10.507 1.00 0.00 H ATOM 457 HG22 VAL A 28 -15.586 6.141 -10.575 1.00 0.00 H ATOM 458 HG23 VAL A 28 -13.876 5.817 -10.951 1.00 0.00 H ATOM 459 H VAL A 28 -16.534 7.103 -8.677 1.00 0.00 H ATOM 460 N ILE A 29 -14.771 6.327 -5.904 1.00 10.03 N ATOM 461 CA ILE A 29 -14.272 6.297 -4.533 1.00 10.52 C ATOM 462 C ILE A 29 -15.316 5.881 -3.502 1.00 12.42 C ATOM 463 O ILE A 29 -14.976 5.603 -2.352 1.00 15.71 O ATOM 464 CB ILE A 29 -13.642 7.651 -4.127 1.00 12.09 C ATOM 465 CG1 ILE A 29 -14.710 8.743 -4.059 1.00 13.26 C ATOM 466 CG2 ILE A 29 -12.556 8.027 -5.132 1.00 12.41 C ATOM 467 CD1 ILE A 29 -14.164 10.097 -3.654 1.00 19.37 C ATOM 468 HA ILE A 29 -13.503 5.524 -4.532 1.00 0.00 H ATOM 469 HB ILE A 29 -13.196 7.554 -3.137 1.00 0.00 H ATOM 470 HG12 ILE A 29 -15.171 8.837 -5.042 1.00 0.00 H ATOM 471 HG13 ILE A 29 -15.465 8.443 -3.332 1.00 0.00 H ATOM 472 HD11 ILE A 29 -13.708 10.023 -2.667 1.00 0.00 H ATOM 473 HD12 ILE A 29 -13.415 10.417 -4.378 1.00 0.00 H ATOM 474 HD13 ILE A 29 -14.977 10.822 -3.627 1.00 0.00 H ATOM 475 HG21 ILE A 29 -11.787 7.255 -5.140 1.00 0.00 H ATOM 476 HG22 ILE A 29 -12.996 8.113 -6.125 1.00 0.00 H ATOM 477 HG23 ILE A 29 -12.112 8.981 -4.846 1.00 0.00 H ATOM 478 H ILE A 29 -14.888 7.237 -6.394 1.00 0.00 H ATOM 479 N THR A 30 -16.580 5.830 -3.909 1.00 11.96 N ATOM 480 CA THR A 30 -17.640 5.408 -3.001 1.00 15.12 C ATOM 481 C THR A 30 -17.700 3.882 -2.996 1.00 14.22 C ATOM 482 O THR A 30 -17.896 3.262 -1.949 1.00 17.64 O ATOM 483 CB THR A 30 -19.015 5.964 -3.426 1.00 13.26 C ATOM 484 OG1 THR A 30 -19.023 7.387 -3.267 1.00 15.95 O ATOM 485 CG2 THR A 30 -20.130 5.355 -2.573 1.00 15.44 C ATOM 486 HA THR A 30 -17.414 5.796 -2.008 1.00 0.00 H ATOM 487 HB THR A 30 -19.189 5.704 -4.470 1.00 0.00 H ATOM 488 HG1 THR A 30 -18.315 7.785 -3.834 1.00 0.00 H ATOM 489 HG23 THR A 30 -20.126 4.272 -2.692 1.00 0.00 H ATOM 490 HG21 THR A 30 -19.963 5.607 -1.526 1.00 0.00 H ATOM 491 HG22 THR A 30 -21.092 5.754 -2.896 1.00 0.00 H ATOM 492 H THR A 30 -16.816 6.094 -4.887 1.00 0.00 H ATOM 493 N LEU A 31 -17.520 3.281 -4.169 1.00 11.96 N ATOM 494 CA LEU A 31 -17.552 1.828 -4.293 1.00 11.56 C ATOM 495 C LEU A 31 -16.201 1.208 -3.955 1.00 11.09 C ATOM 496 O LEU A 31 -16.134 0.141 -3.343 1.00 12.89 O ATOM 497 CB LEU A 31 -17.961 1.428 -5.713 1.00 11.91 C ATOM 498 CG LEU A 31 -18.003 -0.072 -6.017 1.00 12.50 C ATOM 499 CD1 LEU A 31 -18.914 -0.780 -5.021 1.00 16.23 C ATOM 500 CD2 LEU A 31 -18.495 -0.287 -7.439 1.00 15.35 C ATOM 501 HA LEU A 31 -18.287 1.452 -3.581 1.00 0.00 H ATOM 502 HB2 LEU A 31 -18.957 1.831 -5.897 1.00 0.00 H ATOM 503 HB3 LEU A 31 -17.252 1.886 -6.403 1.00 0.00 H ATOM 504 HG LEU A 31 -17.001 -0.491 -5.923 1.00 0.00 H ATOM 505 HD21 LEU A 31 -19.495 0.134 -7.544 1.00 0.00 H ATOM 506 HD22 LEU A 31 -17.817 0.207 -8.135 1.00 0.00 H ATOM 507 HD23 LEU A 31 -18.524 -1.355 -7.654 1.00 0.00 H ATOM 508 HD11 LEU A 31 -18.533 -0.629 -4.011 1.00 0.00 H ATOM 509 HD12 LEU A 31 -19.921 -0.370 -5.096 1.00 0.00 H ATOM 510 HD13 LEU A 31 -18.937 -1.846 -5.246 1.00 0.00 H ATOM 511 H LEU A 31 -17.353 3.860 -5.017 1.00 0.00 H ATOM 512 N TYR A 32 -15.130 1.886 -4.355 1.00 11.05 N ATOM 513 CA TYR A 32 -13.774 1.411 -4.111 1.00 10.13 C ATOM 514 C TYR A 32 -13.090 2.305 -3.084 1.00 11.79 C ATOM 515 O TYR A 32 -12.409 3.278 -3.422 1.00 10.98 O ATOM 516 CB TYR A 32 -13.012 1.372 -5.437 1.00 9.44 C ATOM 517 CG TYR A 32 -13.658 0.414 -6.416 1.00 10.28 C ATOM 518 CD1 TYR A 32 -13.607 -0.964 -6.203 1.00 9.63 C ATOM 519 CD2 TYR A 32 -14.378 0.882 -7.515 1.00 10.64 C ATOM 520 CE1 TYR A 32 -14.263 -1.852 -7.057 1.00 10.08 C ATOM 521 CE2 TYR A 32 -15.037 0.003 -8.375 1.00 10.68 C ATOM 522 CZ TYR A 32 -14.975 -1.363 -8.138 1.00 9.07 C ATOM 523 OH TYR A 32 -15.620 -2.238 -8.981 1.00 11.90 O ATOM 524 HA TYR A 32 -13.793 0.401 -3.701 1.00 0.00 H ATOM 525 HB3 TYR A 32 -11.988 1.050 -5.249 1.00 0.00 H ATOM 526 HB2 TYR A 32 -13.004 2.372 -5.871 1.00 0.00 H ATOM 527 HD2 TYR A 32 -14.427 1.954 -7.705 1.00 0.00 H ATOM 528 HE2 TYR A 32 -15.597 0.387 -9.228 1.00 0.00 H ATOM 529 HE1 TYR A 32 -14.215 -2.925 -6.873 1.00 0.00 H ATOM 530 HD1 TYR A 32 -13.045 -1.354 -5.355 1.00 0.00 H ATOM 531 HH TYR A 32 -15.473 -3.165 -8.668 1.00 0.00 H ATOM 532 H TYR A 32 -15.264 2.786 -4.859 1.00 0.00 H ATOM 533 N LYS A 33 -13.299 1.944 -1.821 1.00 12.72 N ATOM 534 CA LYS A 33 -12.785 2.666 -0.665 1.00 16.05 C ATOM 535 C LYS A 33 -11.279 2.872 -0.597 1.00 15.90 C ATOM 536 O LYS A 33 -10.819 3.762 0.118 1.00 18.61 O ATOM 537 CB LYS A 33 -13.240 1.966 0.621 1.00 23.21 C ATOM 538 CG LYS A 33 -14.744 1.776 0.747 1.00 28.36 C ATOM 539 CD LYS A 33 -15.480 3.104 0.842 1.00 31.79 C ATOM 540 CE LYS A 33 -16.968 2.887 1.068 1.00 32.79 C ATOM 541 NZ LYS A 33 -17.717 4.171 1.164 1.00 36.37 N ATOM 542 HA LYS A 33 -13.202 3.667 -0.775 1.00 0.00 H ATOM 543 HB2 LYS A 33 -12.770 0.983 0.657 1.00 0.00 H ATOM 544 HB3 LYS A 33 -12.901 2.561 1.469 1.00 0.00 H ATOM 545 HG2 LYS A 33 -15.105 1.235 -0.128 1.00 0.00 H ATOM 546 HG3 LYS A 33 -14.951 1.193 1.645 1.00 0.00 H ATOM 547 HD2 LYS A 33 -15.073 3.679 1.674 1.00 0.00 H ATOM 548 HD3 LYS A 33 -15.337 3.658 -0.086 1.00 0.00 H ATOM 549 HE2 LYS A 33 -17.105 2.331 1.995 1.00 0.00 H ATOM 550 HE3 LYS A 33 -17.369 2.308 0.236 1.00 0.00 H ATOM 551 HZ1 LYS A 33 -17.347 4.728 1.960 1.00 0.00 H ATOM 552 HZ2 LYS A 33 -17.599 4.707 0.280 1.00 0.00 H ATOM 553 HZ3 LYS A 33 -18.726 3.972 1.318 1.00 0.00 H ATOM 554 H LYS A 33 -13.867 1.090 -1.647 1.00 0.00 H ATOM 555 N ASP A 34 -10.501 2.063 -1.310 1.00 10.67 N ATOM 556 CA ASP A 34 -9.058 2.248 -1.246 1.00 11.33 C ATOM 557 C ASP A 34 -8.466 3.000 -2.429 1.00 10.82 C ATOM 558 O ASP A 34 -7.262 2.942 -2.664 1.00 11.95 O ATOM 559 CB ASP A 34 -8.331 0.915 -1.054 1.00 12.58 C ATOM 560 CG ASP A 34 -6.897 1.107 -0.576 1.00 19.74 C ATOM 561 OD1 ASP A 34 -6.693 1.846 0.412 1.00 20.70 O ATOM 562 OD2 ASP A 34 -5.972 0.527 -1.180 1.00 22.16 O ATOM 563 HA ASP A 34 -8.899 2.880 -0.373 1.00 0.00 H ATOM 564 HB2 ASP A 34 -8.872 0.323 -0.316 1.00 0.00 H ATOM 565 HB3 ASP A 34 -8.316 0.382 -2.005 1.00 0.00 H ATOM 566 H ASP A 34 -10.914 1.314 -1.901 1.00 0.00 H ATOM 567 N LEU A 35 -9.321 3.690 -3.178 1.00 9.33 N ATOM 568 CA LEU A 35 -8.868 4.516 -4.289 1.00 10.24 C ATOM 569 C LEU A 35 -9.081 5.941 -3.798 1.00 10.38 C ATOM 570 O LEU A 35 -10.175 6.289 -3.351 1.00 12.55 O ATOM 571 CB LEU A 35 -9.686 4.259 -5.558 1.00 7.79 C ATOM 572 CG LEU A 35 -9.359 2.961 -6.305 1.00 7.80 C ATOM 573 CD1 LEU A 35 -10.218 2.854 -7.558 1.00 9.99 C ATOM 574 CD2 LEU A 35 -7.881 2.934 -6.671 1.00 7.12 C ATOM 575 HA LEU A 35 -7.833 4.305 -4.559 1.00 0.00 H ATOM 576 HB2 LEU A 35 -10.739 4.229 -5.278 1.00 0.00 H ATOM 577 HB3 LEU A 35 -9.516 5.091 -6.241 1.00 0.00 H ATOM 578 HG LEU A 35 -9.576 2.110 -5.659 1.00 0.00 H ATOM 579 HD21 LEU A 35 -7.651 3.786 -7.311 1.00 0.00 H ATOM 580 HD22 LEU A 35 -7.282 2.988 -5.762 1.00 0.00 H ATOM 581 HD23 LEU A 35 -7.656 2.009 -7.202 1.00 0.00 H ATOM 582 HD11 LEU A 35 -11.271 2.852 -7.276 1.00 0.00 H ATOM 583 HD12 LEU A 35 -10.016 3.705 -8.209 1.00 0.00 H ATOM 584 HD13 LEU A 35 -9.979 1.929 -8.083 1.00 0.00 H ATOM 585 H LEU A 35 -10.338 3.639 -2.965 1.00 0.00 H ATOM 586 N LYS A 36 -8.032 6.754 -3.862 1.00 9.01 N ATOM 587 CA LYS A 36 -8.102 8.131 -3.385 1.00 10.89 C ATOM 588 C LYS A 36 -7.812 9.127 -4.499 1.00 10.93 C ATOM 589 O LYS A 36 -6.917 8.915 -5.317 1.00 10.76 O ATOM 590 CB LYS A 36 -7.093 8.338 -2.254 1.00 13.87 C ATOM 591 CG LYS A 36 -7.054 7.206 -1.239 1.00 23.71 C ATOM 592 CD LYS A 36 -8.374 7.057 -0.501 1.00 29.78 C ATOM 593 CE LYS A 36 -8.363 5.820 0.385 1.00 33.21 C ATOM 594 NZ LYS A 36 -7.195 5.813 1.311 1.00 37.77 N ATOM 595 HA LYS A 36 -9.116 8.305 -3.024 1.00 0.00 H ATOM 596 HB2 LYS A 36 -6.101 8.437 -2.694 1.00 0.00 H ATOM 597 HB3 LYS A 36 -7.350 9.259 -1.730 1.00 0.00 H ATOM 598 HG2 LYS A 36 -6.834 6.274 -1.759 1.00 0.00 H ATOM 599 HG3 LYS A 36 -6.266 7.410 -0.514 1.00 0.00 H ATOM 600 HD2 LYS A 36 -8.539 7.939 0.118 1.00 0.00 H ATOM 601 HD3 LYS A 36 -9.182 6.969 -1.228 1.00 0.00 H ATOM 602 HE2 LYS A 36 -8.318 4.933 -0.247 1.00 0.00 H ATOM 603 HE3 LYS A 36 -9.280 5.799 0.973 1.00 0.00 H ATOM 604 HZ1 LYS A 36 -6.315 5.827 0.757 1.00 0.00 H ATOM 605 HZ2 LYS A 36 -7.234 6.653 1.923 1.00 0.00 H ATOM 606 HZ3 LYS A 36 -7.224 4.954 1.897 1.00 0.00 H ATOM 607 H LYS A 36 -7.139 6.400 -4.262 1.00 0.00 H ATOM 608 N PRO A 37 -8.570 10.233 -4.545 1.00 8.49 N ATOM 609 CA PRO A 37 -8.366 11.251 -5.575 1.00 9.06 C ATOM 610 C PRO A 37 -7.257 12.206 -5.160 1.00 10.02 C ATOM 611 O PRO A 37 -7.225 12.675 -4.022 1.00 12.01 O ATOM 612 CB PRO A 37 -9.720 11.938 -5.641 1.00 9.34 C ATOM 613 CG PRO A 37 -10.138 11.936 -4.205 1.00 14.95 C ATOM 614 CD PRO A 37 -9.768 10.536 -3.737 1.00 9.92 C ATOM 615 HA PRO A 37 -8.054 10.854 -6.541 1.00 0.00 H ATOM 616 HD3 PRO A 37 -9.538 10.525 -2.672 1.00 0.00 H ATOM 617 HD2 PRO A 37 -10.571 9.827 -3.941 1.00 0.00 H ATOM 618 HG3 PRO A 37 -11.210 12.110 -4.109 1.00 0.00 H ATOM 619 HG2 PRO A 37 -9.596 12.694 -3.639 1.00 0.00 H ATOM 620 HB2 PRO A 37 -9.631 12.954 -6.027 1.00 0.00 H ATOM 621 HB3 PRO A 37 -10.420 11.376 -6.259 1.00 0.00 H ATOM 622 N VAL A 38 -6.344 12.487 -6.081 1.00 11.67 N ATOM 623 CA VAL A 38 -5.236 13.387 -5.797 1.00 15.85 C ATOM 624 C VAL A 38 -4.893 14.215 -7.025 1.00 14.26 C ATOM 625 O VAL A 38 -4.961 13.729 -8.152 1.00 11.10 O ATOM 626 CB VAL A 38 -3.972 12.603 -5.371 1.00 17.63 C ATOM 627 CG1 VAL A 38 -2.843 13.570 -5.054 1.00 22.42 C ATOM 628 CG2 VAL A 38 -4.276 11.731 -4.161 1.00 22.66 C ATOM 629 HA VAL A 38 -5.551 14.038 -4.981 1.00 0.00 H ATOM 630 HB VAL A 38 -3.662 11.959 -6.194 1.00 0.00 H ATOM 631 HG11 VAL A 38 -2.616 14.164 -5.939 1.00 0.00 H ATOM 632 HG12 VAL A 38 -3.148 14.229 -4.241 1.00 0.00 H ATOM 633 HG13 VAL A 38 -1.958 13.008 -4.755 1.00 0.00 H ATOM 634 HG21 VAL A 38 -4.601 12.361 -3.333 1.00 0.00 H ATOM 635 HG22 VAL A 38 -5.066 11.024 -4.414 1.00 0.00 H ATOM 636 HG23 VAL A 38 -3.377 11.186 -3.873 1.00 0.00 H ATOM 637 H VAL A 38 -6.422 12.056 -7.024 1.00 0.00 H ATOM 638 N LEU A 39 -4.544 15.477 -6.801 1.00 12.81 N ATOM 639 CA LEU A 39 -4.150 16.366 -7.885 1.00 10.96 C ATOM 640 C LEU A 39 -2.630 16.307 -7.882 1.00 13.84 C ATOM 641 O LEU A 39 -1.990 16.729 -6.919 1.00 16.29 O ATOM 642 CB LEU A 39 -4.624 17.797 -7.612 1.00 15.20 C ATOM 643 CG LEU A 39 -4.340 18.828 -8.707 1.00 16.05 C ATOM 644 CD1 LEU A 39 -5.025 18.416 -10.000 1.00 16.81 C ATOM 645 CD2 LEU A 39 -4.827 20.195 -8.254 1.00 19.63 C ATOM 646 HA LEU A 39 -4.583 16.072 -8.841 1.00 0.00 H ATOM 647 HB2 LEU A 39 -5.702 17.766 -7.457 1.00 0.00 H ATOM 648 HB3 LEU A 39 -4.137 18.140 -6.699 1.00 0.00 H ATOM 649 HG LEU A 39 -3.267 18.879 -8.890 1.00 0.00 H ATOM 650 HD21 LEU A 39 -5.899 20.152 -8.063 1.00 0.00 H ATOM 651 HD22 LEU A 39 -4.305 20.481 -7.341 1.00 0.00 H ATOM 652 HD23 LEU A 39 -4.624 20.928 -9.034 1.00 0.00 H ATOM 653 HD11 LEU A 39 -4.647 17.444 -10.316 1.00 0.00 H ATOM 654 HD12 LEU A 39 -6.101 18.354 -9.836 1.00 0.00 H ATOM 655 HD13 LEU A 39 -4.816 19.156 -10.772 1.00 0.00 H ATOM 656 H LEU A 39 -4.552 15.840 -5.826 1.00 0.00 H ATOM 657 N ASP A 40 -2.052 15.769 -8.949 1.00 12.04 N ATOM 658 CA ASP A 40 -0.606 15.640 -9.033 1.00 11.91 C ATOM 659 C ASP A 40 -0.125 15.927 -10.449 1.00 11.51 C ATOM 660 O ASP A 40 -0.925 16.047 -11.371 1.00 13.64 O ATOM 661 CB ASP A 40 -0.192 14.230 -8.596 1.00 15.81 C ATOM 662 CG ASP A 40 1.312 14.040 -8.569 1.00 22.00 C ATOM 663 OD1 ASP A 40 2.019 14.933 -8.058 1.00 24.17 O ATOM 664 OD2 ASP A 40 1.786 12.990 -9.051 1.00 31.09 O ATOM 665 HA ASP A 40 -0.143 16.368 -8.367 1.00 0.00 H ATOM 666 HB2 ASP A 40 -0.584 14.046 -7.596 1.00 0.00 H ATOM 667 HB3 ASP A 40 -0.622 13.509 -9.292 1.00 0.00 H ATOM 668 H ASP A 40 -2.642 15.435 -9.737 1.00 0.00 H ATOM 669 N SER A 41 1.186 16.052 -10.614 1.00 13.42 N ATOM 670 CA SER A 41 1.750 16.332 -11.925 1.00 12.47 C ATOM 671 C SER A 41 2.124 15.047 -12.651 1.00 9.92 C ATOM 672 O SER A 41 2.750 14.154 -12.077 1.00 12.18 O ATOM 673 CB SER A 41 2.980 17.234 -11.788 1.00 15.16 C ATOM 674 OG SER A 41 3.951 16.653 -10.936 1.00 22.40 O ATOM 675 HA SER A 41 0.991 16.846 -12.515 1.00 0.00 H ATOM 676 HB2 SER A 41 2.672 18.194 -11.374 1.00 0.00 H ATOM 677 HB3 SER A 41 3.419 17.389 -12.774 1.00 0.00 H ATOM 678 HG SER A 41 4.732 17.257 -10.867 1.00 0.00 H ATOM 679 H SER A 41 1.818 15.948 -9.795 1.00 0.00 H ATOM 680 N TYR A 42 1.727 14.959 -13.914 1.00 9.14 N ATOM 681 CA TYR A 42 2.020 13.793 -14.734 1.00 10.29 C ATOM 682 C TYR A 42 3.047 14.153 -15.806 1.00 9.35 C ATOM 683 O TYR A 42 2.752 14.920 -16.720 1.00 10.89 O ATOM 684 CB TYR A 42 0.742 13.286 -15.409 1.00 10.38 C ATOM 685 CG TYR A 42 0.939 12.032 -16.227 1.00 9.58 C ATOM 686 CD1 TYR A 42 0.274 11.856 -17.440 1.00 11.67 C ATOM 687 CD2 TYR A 42 1.792 11.017 -15.790 1.00 11.89 C ATOM 688 CE1 TYR A 42 0.458 10.702 -18.200 1.00 11.51 C ATOM 689 CE2 TYR A 42 1.980 9.858 -16.542 1.00 15.38 C ATOM 690 CZ TYR A 42 1.311 9.710 -17.743 1.00 13.19 C ATOM 691 OH TYR A 42 1.489 8.566 -18.490 1.00 18.04 O ATOM 692 HA TYR A 42 2.423 13.010 -14.092 1.00 0.00 H ATOM 693 HB3 TYR A 42 0.367 14.070 -16.067 1.00 0.00 H ATOM 694 HB2 TYR A 42 0.003 13.079 -14.635 1.00 0.00 H ATOM 695 HD2 TYR A 42 2.321 11.133 -14.844 1.00 0.00 H ATOM 696 HE2 TYR A 42 2.649 9.075 -16.186 1.00 0.00 H ATOM 697 HE1 TYR A 42 -0.066 10.581 -19.148 1.00 0.00 H ATOM 698 HD1 TYR A 42 -0.400 12.633 -17.800 1.00 0.00 H ATOM 699 HH TYR A 42 0.942 8.622 -19.313 1.00 0.00 H ATOM 700 H TYR A 42 1.191 15.747 -14.330 1.00 0.00 H ATOM 701 N GLY A 43 4.251 13.600 -15.680 1.00 15.02 N ATOM 702 CA GLY A 43 5.302 13.858 -16.652 1.00 13.97 C ATOM 703 C GLY A 43 6.016 15.193 -16.528 1.00 14.69 C ATOM 704 O GLY A 43 7.247 15.256 -16.599 1.00 15.54 O ATOM 705 HA3 GLY A 43 4.856 13.810 -17.645 1.00 0.00 H ATOM 706 HA2 GLY A 43 6.049 13.070 -16.552 1.00 0.00 H ATOM 707 H GLY A 43 4.444 12.973 -14.873 1.00 0.00 H ATOM 708 N THR A 44 5.247 16.263 -16.360 1.00 13.66 N ATOM 709 CA THR A 44 5.798 17.609 -16.230 1.00 14.62 C ATOM 710 C THR A 44 5.169 18.288 -15.017 1.00 15.55 C ATOM 711 O THR A 44 3.977 18.124 -14.762 1.00 13.97 O ATOM 712 CB THR A 44 5.490 18.459 -17.482 1.00 13.76 C ATOM 713 OG1 THR A 44 5.946 17.774 -18.657 1.00 11.58 O ATOM 714 CG2 THR A 44 6.184 19.810 -17.392 1.00 15.73 C ATOM 715 HA THR A 44 6.879 17.529 -16.116 1.00 0.00 H ATOM 716 HB THR A 44 4.413 18.614 -17.538 1.00 0.00 H ATOM 717 HG1 THR A 44 5.746 18.323 -19.456 1.00 0.00 H ATOM 718 HG23 THR A 44 5.841 20.335 -16.500 1.00 0.00 H ATOM 719 HG21 THR A 44 7.262 19.660 -17.334 1.00 0.00 H ATOM 720 HG22 THR A 44 5.945 20.400 -18.277 1.00 0.00 H ATOM 721 H THR A 44 4.215 16.138 -16.320 1.00 0.00 H ATOM 722 N GLY A 48 5.969 19.052 -14.277 1.00 12.46 N ATOM 723 CA GLY A 48 5.460 19.732 -13.099 1.00 13.02 C ATOM 724 C GLY A 48 4.245 20.593 -13.381 1.00 13.43 C ATOM 725 O GLY A 48 3.400 20.800 -12.507 1.00 15.86 O ATOM 726 HA3 GLY A 48 6.249 20.368 -12.698 1.00 0.00 H ATOM 727 HA2 GLY A 48 5.188 18.982 -12.357 1.00 0.00 H ATOM 728 H GLY A 48 6.968 19.163 -14.545 1.00 0.00 H ATOM 729 N SER A 49 4.149 21.088 -14.609 1.00 12.88 N ATOM 730 CA SER A 49 3.037 21.939 -15.005 1.00 12.71 C ATOM 731 C SER A 49 1.803 21.170 -15.485 1.00 10.96 C ATOM 732 O SER A 49 0.730 21.756 -15.625 1.00 15.69 O ATOM 733 CB SER A 49 3.493 22.902 -16.103 1.00 13.63 C ATOM 734 OG SER A 49 4.035 22.188 -17.199 1.00 18.62 O ATOM 735 HA SER A 49 2.734 22.480 -14.108 1.00 0.00 H ATOM 736 HB2 SER A 49 4.253 23.571 -15.700 1.00 0.00 H ATOM 737 HB3 SER A 49 2.639 23.488 -16.444 1.00 0.00 H ATOM 738 HG SER A 49 4.324 22.827 -17.898 1.00 0.00 H ATOM 739 H SER A 49 4.887 20.862 -15.306 1.00 0.00 H ATOM 740 N ARG A 50 1.948 19.869 -15.734 1.00 7.80 N ATOM 741 CA ARG A 50 0.823 19.058 -16.207 1.00 7.31 C ATOM 742 C ARG A 50 0.062 18.472 -15.026 1.00 8.15 C ATOM 743 O ARG A 50 0.129 17.272 -14.764 1.00 10.44 O ATOM 744 CB ARG A 50 1.319 17.924 -17.112 1.00 7.24 C ATOM 745 CG ARG A 50 0.213 17.152 -17.842 1.00 5.52 C ATOM 746 CD ARG A 50 -0.258 17.899 -19.088 1.00 5.57 C ATOM 747 NE ARG A 50 -1.161 17.108 -19.927 1.00 6.21 N ATOM 748 CZ ARG A 50 -2.478 17.285 -20.002 1.00 5.13 C ATOM 749 NH1 ARG A 50 -3.203 16.514 -20.801 1.00 6.61 N ATOM 750 NH2 ARG A 50 -3.071 18.227 -19.280 1.00 5.27 N ATOM 751 HA ARG A 50 0.156 19.702 -16.780 1.00 0.00 H ATOM 752 HB2 ARG A 50 1.984 18.354 -17.861 1.00 0.00 H ATOM 753 HB3 ARG A 50 1.876 17.218 -16.496 1.00 0.00 H ATOM 754 HG2 ARG A 50 0.597 16.176 -18.137 1.00 0.00 H ATOM 755 HG3 ARG A 50 -0.632 17.019 -17.167 1.00 0.00 H ATOM 756 HD2 ARG A 50 0.616 18.172 -19.680 1.00 0.00 H ATOM 757 HD3 ARG A 50 -0.779 18.803 -18.774 1.00 0.00 H ATOM 758 HE ARG A 50 -0.742 16.353 -20.507 1.00 0.00 H ATOM 759 HH12 ARG A 50 -4.232 16.650 -20.861 1.00 0.00 H ATOM 760 HH11 ARG A 50 -2.742 15.773 -21.367 1.00 0.00 H ATOM 761 HH22 ARG A 50 -4.101 18.360 -19.343 1.00 0.00 H ATOM 762 HH21 ARG A 50 -2.506 18.832 -18.651 1.00 0.00 H ATOM 763 H ARG A 50 2.876 19.421 -15.590 1.00 0.00 H ATOM 764 N GLU A 51 -0.658 19.326 -14.311 1.00 6.82 N ATOM 765 CA GLU A 51 -1.425 18.876 -13.163 1.00 9.01 C ATOM 766 C GLU A 51 -2.718 18.215 -13.624 1.00 8.47 C ATOM 767 O GLU A 51 -3.451 18.758 -14.452 1.00 8.98 O ATOM 768 CB GLU A 51 -1.735 20.053 -12.235 1.00 13.48 C ATOM 769 CG GLU A 51 -0.494 20.728 -11.659 1.00 20.67 C ATOM 770 CD GLU A 51 -0.808 21.655 -10.499 1.00 27.07 C ATOM 771 OE1 GLU A 51 0.120 22.331 -10.008 1.00 33.34 O ATOM 772 OE2 GLU A 51 -1.980 21.700 -10.071 1.00 32.79 O ATOM 773 HA GLU A 51 -0.833 18.146 -12.612 1.00 0.00 H ATOM 774 HB2 GLU A 51 -2.300 20.796 -12.799 1.00 0.00 H ATOM 775 HB3 GLU A 51 -2.343 19.687 -11.407 1.00 0.00 H ATOM 776 HG2 GLU A 51 0.192 19.956 -11.311 1.00 0.00 H ATOM 777 HG3 GLU A 51 -0.016 21.308 -12.448 1.00 0.00 H ATOM 778 H GLU A 51 -0.673 20.332 -14.576 1.00 0.00 H ATOM 779 N LEU A 52 -2.973 17.027 -13.091 1.00 7.36 N ATOM 780 CA LEU A 52 -4.165 16.254 -13.418 1.00 5.93 C ATOM 781 C LEU A 52 -4.604 15.501 -12.181 1.00 6.99 C ATOM 782 O LEU A 52 -3.794 15.205 -11.300 1.00 7.63 O ATOM 783 CB LEU A 52 -3.866 15.229 -14.511 1.00 6.59 C ATOM 784 CG LEU A 52 -3.529 15.730 -15.912 1.00 5.26 C ATOM 785 CD1 LEU A 52 -3.072 14.563 -16.772 1.00 8.33 C ATOM 786 CD2 LEU A 52 -4.752 16.403 -16.517 1.00 7.91 C ATOM 787 HA LEU A 52 -4.939 16.937 -13.767 1.00 0.00 H ATOM 788 HB2 LEU A 52 -3.019 14.634 -14.170 1.00 0.00 H ATOM 789 HB3 LEU A 52 -4.744 14.590 -14.601 1.00 0.00 H ATOM 790 HG LEU A 52 -2.721 16.460 -15.862 1.00 0.00 H ATOM 791 HD21 LEU A 52 -5.570 15.684 -16.574 1.00 0.00 H ATOM 792 HD22 LEU A 52 -5.049 17.244 -15.891 1.00 0.00 H ATOM 793 HD23 LEU A 52 -4.510 16.761 -17.518 1.00 0.00 H ATOM 794 HD11 LEU A 52 -2.187 14.109 -16.326 1.00 0.00 H ATOM 795 HD12 LEU A 52 -3.870 13.823 -16.833 1.00 0.00 H ATOM 796 HD13 LEU A 52 -2.832 14.923 -17.772 1.00 0.00 H ATOM 797 H LEU A 52 -2.294 16.630 -12.411 1.00 0.00 H ATOM 798 N MET A 53 -5.889 15.186 -12.110 1.00 6.39 N ATOM 799 CA MET A 53 -6.370 14.425 -10.981 1.00 8.00 C ATOM 800 C MET A 53 -6.206 12.956 -11.338 1.00 6.90 C ATOM 801 O MET A 53 -6.395 12.553 -12.490 1.00 7.27 O ATOM 802 CB MET A 53 -7.841 14.741 -10.698 1.00 9.35 C ATOM 803 CG MET A 53 -8.415 13.991 -9.492 1.00 9.50 C ATOM 804 SD MET A 53 -10.022 14.628 -8.985 1.00 14.20 S ATOM 805 CE MET A 53 -11.062 14.039 -10.321 1.00 17.17 C ATOM 806 HA MET A 53 -5.808 14.677 -10.082 1.00 0.00 H ATOM 807 HB2 MET A 53 -7.933 15.811 -10.513 1.00 0.00 H ATOM 808 HB3 MET A 53 -8.425 14.474 -11.579 1.00 0.00 H ATOM 809 HG2 MET A 53 -7.721 14.088 -8.657 1.00 0.00 H ATOM 810 HG3 MET A 53 -8.522 12.938 -9.753 1.00 0.00 H ATOM 811 HE1 MET A 53 -10.708 14.453 -11.265 1.00 0.00 H ATOM 812 HE2 MET A 53 -11.018 12.951 -10.361 1.00 0.00 H ATOM 813 HE3 MET A 53 -12.090 14.356 -10.146 1.00 0.00 H ATOM 814 H MET A 53 -6.545 15.484 -12.860 1.00 0.00 H ATOM 815 N ASN A 54 -5.812 12.159 -10.357 1.00 6.94 N ATOM 816 CA ASN A 54 -5.670 10.735 -10.583 1.00 8.17 C ATOM 817 C ASN A 54 -6.267 10.003 -9.397 1.00 9.07 C ATOM 818 O ASN A 54 -6.404 10.564 -8.307 1.00 11.61 O ATOM 819 CB ASN A 54 -4.200 10.333 -10.762 1.00 13.53 C ATOM 820 CG ASN A 54 -3.417 10.359 -9.468 1.00 14.02 C ATOM 821 OD1 ASN A 54 -3.791 9.717 -8.486 1.00 15.11 O ATOM 822 ND2 ASN A 54 -2.313 11.096 -9.461 1.00 17.51 N ATOM 823 HA ASN A 54 -6.192 10.469 -11.502 1.00 0.00 H ATOM 824 HB2 ASN A 54 -4.163 9.323 -11.170 1.00 0.00 H ATOM 825 HB3 ASN A 54 -3.734 11.024 -11.464 1.00 0.00 H ATOM 826 HD22 ASN A 54 -2.034 11.623 -10.313 1.00 0.00 H ATOM 827 HD21 ASN A 54 -1.727 11.147 -8.603 1.00 0.00 H ATOM 828 H ASN A 54 -5.603 12.557 -9.419 1.00 0.00 H ATOM 829 N LEU A 55 -6.652 8.759 -9.631 1.00 7.22 N ATOM 830 CA LEU A 55 -7.208 7.920 -8.586 1.00 7.09 C ATOM 831 C LEU A 55 -6.130 6.890 -8.295 1.00 8.35 C ATOM 832 O LEU A 55 -5.787 6.078 -9.155 1.00 8.36 O ATOM 833 CB LEU A 55 -8.492 7.246 -9.073 1.00 7.79 C ATOM 834 CG LEU A 55 -9.677 8.208 -9.220 1.00 15.02 C ATOM 835 CD1 LEU A 55 -10.800 7.556 -10.004 1.00 15.14 C ATOM 836 CD2 LEU A 55 -10.155 8.628 -7.834 1.00 16.86 C ATOM 837 HA LEU A 55 -7.475 8.488 -7.695 1.00 0.00 H ATOM 838 HB2 LEU A 55 -8.295 6.791 -10.044 1.00 0.00 H ATOM 839 HB3 LEU A 55 -8.766 6.470 -8.359 1.00 0.00 H ATOM 840 HG LEU A 55 -9.359 9.093 -9.772 1.00 0.00 H ATOM 841 HD21 LEU A 55 -10.466 7.745 -7.275 1.00 0.00 H ATOM 842 HD22 LEU A 55 -9.342 9.126 -7.306 1.00 0.00 H ATOM 843 HD23 LEU A 55 -10.998 9.312 -7.934 1.00 0.00 H ATOM 844 HD11 LEU A 55 -10.439 7.285 -10.996 1.00 0.00 H ATOM 845 HD12 LEU A 55 -11.134 6.660 -9.481 1.00 0.00 H ATOM 846 HD13 LEU A 55 -11.631 8.256 -10.097 1.00 0.00 H ATOM 847 H LEU A 55 -6.553 8.372 -10.591 1.00 0.00 H ATOM 848 N THR A 56 -5.579 6.943 -7.087 1.00 8.54 N ATOM 849 CA THR A 56 -4.519 6.028 -6.687 1.00 7.00 C ATOM 850 C THR A 56 -4.916 5.184 -5.482 1.00 6.49 C ATOM 851 O THR A 56 -5.638 5.641 -4.601 1.00 8.56 O ATOM 852 CB THR A 56 -3.228 6.804 -6.353 1.00 11.64 C ATOM 853 OG1 THR A 56 -2.806 7.544 -7.503 1.00 17.09 O ATOM 854 CG2 THR A 56 -2.119 5.854 -5.949 1.00 14.64 C ATOM 855 HA THR A 56 -4.344 5.362 -7.532 1.00 0.00 H ATOM 856 HB THR A 56 -3.437 7.479 -5.523 1.00 0.00 H ATOM 857 HG1 THR A 56 -3.517 8.182 -7.763 1.00 0.00 H ATOM 858 HG23 THR A 56 -2.431 5.285 -5.073 1.00 0.00 H ATOM 859 HG21 THR A 56 -1.910 5.171 -6.772 1.00 0.00 H ATOM 860 HG22 THR A 56 -1.221 6.425 -5.712 1.00 0.00 H ATOM 861 H THR A 56 -5.914 7.657 -6.409 1.00 0.00 H ATOM 862 N GLY A 57 -4.436 3.947 -5.456 1.00 7.72 N ATOM 863 CA GLY A 57 -4.743 3.056 -4.354 1.00 7.66 C ATOM 864 C GLY A 57 -4.799 1.628 -4.852 1.00 8.09 C ATOM 865 O GLY A 57 -4.040 1.249 -5.743 1.00 11.72 O ATOM 866 HA3 GLY A 57 -5.707 3.329 -3.925 1.00 0.00 H ATOM 867 HA2 GLY A 57 -3.970 3.144 -3.591 1.00 0.00 H ATOM 868 H GLY A 57 -3.833 3.613 -6.235 1.00 0.00 H ATOM 869 N THR A 58 -5.689 0.828 -4.281 1.00 8.70 N ATOM 870 CA THR A 58 -5.812 -0.561 -4.710 1.00 7.85 C ATOM 871 C THR A 58 -7.258 -0.917 -4.995 1.00 8.20 C ATOM 872 O THR A 58 -8.179 -0.235 -4.546 1.00 8.59 O ATOM 873 CB THR A 58 -5.306 -1.552 -3.629 1.00 10.43 C ATOM 874 OG1 THR A 58 -6.142 -1.461 -2.467 1.00 12.75 O ATOM 875 CG2 THR A 58 -3.869 -1.253 -3.248 1.00 10.04 C ATOM 876 HA THR A 58 -5.203 -0.649 -5.610 1.00 0.00 H ATOM 877 HB THR A 58 -5.349 -2.561 -4.038 1.00 0.00 H ATOM 878 HG1 THR A 58 -6.110 -0.538 -2.110 1.00 0.00 H ATOM 879 HG23 THR A 58 -3.237 -1.323 -4.134 1.00 0.00 H ATOM 880 HG21 THR A 58 -3.806 -0.247 -2.834 1.00 0.00 H ATOM 881 HG22 THR A 58 -3.534 -1.975 -2.503 1.00 0.00 H ATOM 882 H THR A 58 -6.302 1.192 -3.524 1.00 0.00 H ATOM 883 N ILE A 59 -7.441 -1.976 -5.777 1.00 8.13 N ATOM 884 CA ILE A 59 -8.766 -2.491 -6.083 1.00 10.06 C ATOM 885 C ILE A 59 -8.744 -3.967 -5.696 1.00 9.59 C ATOM 886 O ILE A 59 -7.720 -4.643 -5.843 1.00 9.61 O ATOM 887 CB ILE A 59 -9.144 -2.348 -7.584 1.00 9.20 C ATOM 888 CG1 ILE A 59 -8.032 -2.892 -8.479 1.00 8.74 C ATOM 889 CG2 ILE A 59 -9.466 -0.896 -7.898 1.00 11.01 C ATOM 890 CD1 ILE A 59 -8.424 -2.989 -9.947 1.00 9.60 C ATOM 891 HA ILE A 59 -9.514 -1.920 -5.533 1.00 0.00 H ATOM 892 HB ILE A 59 -10.035 -2.943 -7.787 1.00 0.00 H ATOM 893 HG12 ILE A 59 -7.168 -2.232 -8.395 1.00 0.00 H ATOM 894 HG13 ILE A 59 -7.762 -3.888 -8.127 1.00 0.00 H ATOM 895 HD11 ILE A 59 -9.281 -3.655 -10.050 1.00 0.00 H ATOM 896 HD12 ILE A 59 -8.686 -1.998 -10.318 1.00 0.00 H ATOM 897 HD13 ILE A 59 -7.585 -3.383 -10.521 1.00 0.00 H ATOM 898 HG21 ILE A 59 -10.304 -0.570 -7.282 1.00 0.00 H ATOM 899 HG22 ILE A 59 -8.594 -0.278 -7.685 1.00 0.00 H ATOM 900 HG23 ILE A 59 -9.730 -0.803 -8.951 1.00 0.00 H ATOM 901 H ILE A 59 -6.610 -2.452 -6.183 1.00 0.00 H ATOM 902 N PRO A 60 -9.868 -4.476 -5.167 1.00 10.68 N ATOM 903 CA PRO A 60 -10.001 -5.873 -4.743 1.00 11.34 C ATOM 904 C PRO A 60 -10.146 -6.824 -5.925 1.00 8.87 C ATOM 905 O PRO A 60 -11.139 -6.779 -6.650 1.00 11.72 O ATOM 906 CB PRO A 60 -11.246 -5.837 -3.866 1.00 15.24 C ATOM 907 CG PRO A 60 -12.100 -4.831 -4.571 1.00 14.83 C ATOM 908 CD PRO A 60 -11.109 -3.726 -4.894 1.00 11.86 C ATOM 909 HA PRO A 60 -9.122 -6.250 -4.220 1.00 0.00 H ATOM 910 HD3 PRO A 60 -11.425 -3.156 -5.768 1.00 0.00 H ATOM 911 HD2 PRO A 60 -10.983 -3.051 -4.048 1.00 0.00 H ATOM 912 HG3 PRO A 60 -12.898 -4.468 -3.923 1.00 0.00 H ATOM 913 HG2 PRO A 60 -12.534 -5.249 -5.479 1.00 0.00 H ATOM 914 HB2 PRO A 60 -11.732 -6.812 -3.829 1.00 0.00 H ATOM 915 HB3 PRO A 60 -11.007 -5.513 -2.853 1.00 0.00 H ATOM 916 N VAL A 61 -9.155 -7.690 -6.107 1.00 10.52 N ATOM 917 CA VAL A 61 -9.179 -8.633 -7.216 1.00 12.12 C ATOM 918 C VAL A 61 -9.098 -10.081 -6.763 1.00 14.05 C ATOM 919 O VAL A 61 -8.065 -10.533 -6.266 1.00 12.17 O ATOM 920 CB VAL A 61 -8.019 -8.370 -8.201 1.00 11.43 C ATOM 921 CG1 VAL A 61 -8.071 -9.376 -9.342 1.00 12.82 C ATOM 922 CG2 VAL A 61 -8.111 -6.956 -8.747 1.00 11.87 C ATOM 923 HA VAL A 61 -10.138 -8.475 -7.709 1.00 0.00 H ATOM 924 HB VAL A 61 -7.072 -8.482 -7.673 1.00 0.00 H ATOM 925 HG11 VAL A 61 -7.980 -10.385 -8.940 1.00 0.00 H ATOM 926 HG12 VAL A 61 -9.020 -9.277 -9.869 1.00 0.00 H ATOM 927 HG13 VAL A 61 -7.250 -9.184 -10.032 1.00 0.00 H ATOM 928 HG21 VAL A 61 -9.060 -6.830 -9.268 1.00 0.00 H ATOM 929 HG22 VAL A 61 -8.050 -6.245 -7.923 1.00 0.00 H ATOM 930 HG23 VAL A 61 -7.288 -6.781 -9.440 1.00 0.00 H ATOM 931 H VAL A 61 -8.351 -7.694 -5.448 1.00 0.00 H ATOM 932 N PRO A 62 -10.201 -10.827 -6.919 1.00 17.27 N ATOM 933 CA PRO A 62 -10.202 -12.232 -6.515 1.00 19.76 C ATOM 934 C PRO A 62 -9.390 -13.056 -7.505 1.00 20.55 C ATOM 935 O PRO A 62 -9.597 -12.973 -8.715 1.00 20.16 O ATOM 936 CB PRO A 62 -11.685 -12.590 -6.531 1.00 20.76 C ATOM 937 CG PRO A 62 -12.217 -11.741 -7.638 1.00 23.70 C ATOM 938 CD PRO A 62 -11.536 -10.411 -7.381 1.00 21.04 C ATOM 939 HA PRO A 62 -9.748 -12.424 -5.543 1.00 0.00 H ATOM 940 HD3 PRO A 62 -11.471 -9.817 -8.293 1.00 0.00 H ATOM 941 HD2 PRO A 62 -12.060 -9.841 -6.614 1.00 0.00 H ATOM 942 HG3 PRO A 62 -13.301 -11.648 -7.578 1.00 0.00 H ATOM 943 HG2 PRO A 62 -11.941 -12.144 -8.612 1.00 0.00 H ATOM 944 HB2 PRO A 62 -11.832 -13.649 -6.743 1.00 0.00 H ATOM 945 HB3 PRO A 62 -12.160 -12.341 -5.582 1.00 0.00 H ATOM 946 N TYR A 63 -8.450 -13.829 -6.978 1.00 18.77 N ATOM 947 CA TYR A 63 -7.603 -14.685 -7.794 1.00 22.18 C ATOM 948 C TYR A 63 -7.593 -16.062 -7.146 1.00 22.82 C ATOM 949 O TYR A 63 -6.977 -16.258 -6.100 1.00 23.38 O ATOM 950 CB TYR A 63 -6.180 -14.125 -7.854 1.00 20.25 C ATOM 951 CG TYR A 63 -5.203 -15.010 -8.595 1.00 20.18 C ATOM 952 CD1 TYR A 63 -5.344 -15.250 -9.962 1.00 17.91 C ATOM 953 CD2 TYR A 63 -4.140 -15.615 -7.926 1.00 21.20 C ATOM 954 CE1 TYR A 63 -4.449 -16.072 -10.644 1.00 19.62 C ATOM 955 CE2 TYR A 63 -3.240 -16.438 -8.598 1.00 24.32 C ATOM 956 CZ TYR A 63 -3.400 -16.662 -9.956 1.00 22.93 C ATOM 957 OH TYR A 63 -2.511 -17.473 -10.623 1.00 29.01 O ATOM 958 HA TYR A 63 -7.984 -14.738 -8.814 1.00 0.00 H ATOM 959 HB3 TYR A 63 -5.819 -13.994 -6.834 1.00 0.00 H ATOM 960 HB2 TYR A 63 -6.213 -13.157 -8.353 1.00 0.00 H ATOM 961 HD2 TYR A 63 -4.011 -15.441 -6.858 1.00 0.00 H ATOM 962 HE2 TYR A 63 -2.415 -16.903 -8.059 1.00 0.00 H ATOM 963 HE1 TYR A 63 -4.573 -16.250 -11.712 1.00 0.00 H ATOM 964 HD1 TYR A 63 -6.168 -14.787 -10.505 1.00 0.00 H ATOM 965 HH TYR A 63 -2.529 -18.379 -10.224 1.00 0.00 H ATOM 966 H TYR A 63 -8.314 -13.823 -5.947 1.00 0.00 H ATOM 967 N ARG A 64 -8.292 -17.007 -7.765 1.00 26.20 N ATOM 968 CA ARG A 64 -8.373 -18.367 -7.248 1.00 30.04 C ATOM 969 C ARG A 64 -8.914 -18.425 -5.822 1.00 31.80 C ATOM 970 O ARG A 64 -8.278 -18.986 -4.932 1.00 33.44 O ATOM 971 CB ARG A 64 -6.998 -19.038 -7.303 1.00 30.47 C ATOM 972 CG ARG A 64 -6.511 -19.322 -8.709 1.00 33.11 C ATOM 973 CD ARG A 64 -5.255 -20.176 -8.698 1.00 35.15 C ATOM 974 NE ARG A 64 -4.960 -20.712 -10.023 1.00 37.62 N ATOM 975 CZ ARG A 64 -5.777 -21.510 -10.705 1.00 37.58 C ATOM 976 NH1 ARG A 64 -6.944 -21.871 -10.187 1.00 39.95 N ATOM 977 NH2 ARG A 64 -5.430 -21.946 -11.908 1.00 36.69 N ATOM 978 HA ARG A 64 -9.076 -18.903 -7.886 1.00 0.00 H ATOM 979 HB2 ARG A 64 -6.276 -18.383 -6.815 1.00 0.00 H ATOM 980 HB3 ARG A 64 -7.054 -19.982 -6.761 1.00 0.00 H ATOM 981 HG2 ARG A 64 -7.293 -19.848 -9.256 1.00 0.00 H ATOM 982 HG3 ARG A 64 -6.294 -18.377 -9.207 1.00 0.00 H ATOM 983 HD2 ARG A 64 -5.396 -21.005 -8.004 1.00 0.00 H ATOM 984 HD3 ARG A 64 -4.414 -19.566 -8.367 1.00 0.00 H ATOM 985 HE ARG A 64 -4.053 -20.454 -10.462 1.00 0.00 H ATOM 986 HH12 ARG A 64 -7.580 -22.495 -10.723 1.00 0.00 H ATOM 987 HH11 ARG A 64 -7.223 -21.530 -9.245 1.00 0.00 H ATOM 988 HH22 ARG A 64 -6.070 -22.570 -12.440 1.00 0.00 H ATOM 989 HH21 ARG A 64 -4.518 -21.664 -12.320 1.00 0.00 H ATOM 990 H ARG A 64 -8.796 -16.769 -8.643 1.00 0.00 H ATOM 991 N GLY A 65 -10.087 -17.836 -5.612 1.00 34.05 N ATOM 992 CA GLY A 65 -10.701 -17.851 -4.295 1.00 35.70 C ATOM 993 C GLY A 65 -9.981 -17.058 -3.220 1.00 35.28 C ATOM 994 O GLY A 65 -10.104 -17.359 -2.032 1.00 37.22 O ATOM 995 HA3 GLY A 65 -10.758 -18.888 -3.964 1.00 0.00 H ATOM 996 HA2 GLY A 65 -11.708 -17.446 -4.391 1.00 0.00 H ATOM 997 H GLY A 65 -10.571 -17.359 -6.399 1.00 0.00 H ATOM 998 N ASN A 66 -9.222 -16.048 -3.629 1.00 32.08 N ATOM 999 CA ASN A 66 -8.493 -15.205 -2.686 1.00 30.04 C ATOM 1000 C ASN A 66 -8.441 -13.788 -3.242 1.00 27.88 C ATOM 1001 O ASN A 66 -8.166 -13.591 -4.423 1.00 26.47 O ATOM 1002 CB ASN A 66 -7.072 -15.737 -2.472 1.00 33.81 C ATOM 1003 CG ASN A 66 -7.052 -17.123 -1.851 1.00 36.94 C ATOM 1004 OD1 ASN A 66 -7.496 -18.097 -2.459 1.00 36.72 O ATOM 1005 ND2 ASN A 66 -6.535 -17.216 -0.631 1.00 36.96 N ATOM 1006 HA ASN A 66 -9.004 -15.211 -1.723 1.00 0.00 H ATOM 1007 HB2 ASN A 66 -6.566 -15.780 -3.437 1.00 0.00 H ATOM 1008 HB3 ASN A 66 -6.538 -15.052 -1.813 1.00 0.00 H ATOM 1009 HD22 ASN A 66 -6.171 -16.366 -0.154 1.00 0.00 H ATOM 1010 HD21 ASN A 66 -6.494 -18.138 -0.153 1.00 0.00 H ATOM 1011 H ASN A 66 -9.145 -15.852 -4.648 1.00 0.00 H ATOM 1012 N THR A 67 -8.708 -12.803 -2.391 1.00 25.45 N ATOM 1013 CA THR A 67 -8.703 -11.411 -2.824 1.00 21.47 C ATOM 1014 C THR A 67 -7.373 -10.710 -2.580 1.00 18.96 C ATOM 1015 O THR A 67 -6.830 -10.744 -1.475 1.00 20.30 O ATOM 1016 CB THR A 67 -9.819 -10.606 -2.121 1.00 20.96 C ATOM 1017 OG1 THR A 67 -11.095 -11.148 -2.477 1.00 26.79 O ATOM 1018 CG2 THR A 67 -9.768 -9.141 -2.539 1.00 20.72 C ATOM 1019 HA THR A 67 -8.877 -11.442 -3.900 1.00 0.00 H ATOM 1020 HB THR A 67 -9.669 -10.674 -1.043 1.00 0.00 H ATOM 1021 HG1 THR A 67 -11.809 -10.631 -2.026 1.00 0.00 H ATOM 1022 HG23 THR A 67 -8.798 -8.722 -2.271 1.00 0.00 H ATOM 1023 HG21 THR A 67 -9.912 -9.067 -3.617 1.00 0.00 H ATOM 1024 HG22 THR A 67 -10.558 -8.591 -2.027 1.00 0.00 H ATOM 1025 H THR A 67 -8.924 -13.029 -1.399 1.00 0.00 H ATOM 1026 N TYR A 68 -6.856 -10.073 -3.627 1.00 16.69 N ATOM 1027 CA TYR A 68 -5.601 -9.341 -3.539 1.00 13.27 C ATOM 1028 C TYR A 68 -5.869 -7.869 -3.827 1.00 12.09 C ATOM 1029 O TYR A 68 -6.728 -7.533 -4.643 1.00 13.63 O ATOM 1030 CB TYR A 68 -4.580 -9.894 -4.537 1.00 14.83 C ATOM 1031 CG TYR A 68 -4.268 -11.353 -4.306 1.00 14.71 C ATOM 1032 CD1 TYR A 68 -5.149 -12.347 -4.729 1.00 17.94 C ATOM 1033 CD2 TYR A 68 -3.124 -11.736 -3.609 1.00 17.60 C ATOM 1034 CE1 TYR A 68 -4.902 -13.689 -4.461 1.00 16.60 C ATOM 1035 CE2 TYR A 68 -2.867 -13.076 -3.333 1.00 18.09 C ATOM 1036 CZ TYR A 68 -3.762 -14.043 -3.761 1.00 15.73 C ATOM 1037 OH TYR A 68 -3.528 -15.367 -3.472 1.00 22.31 O ATOM 1038 HA TYR A 68 -5.188 -9.454 -2.537 1.00 0.00 H ATOM 1039 HB3 TYR A 68 -3.657 -9.321 -4.445 1.00 0.00 H ATOM 1040 HB2 TYR A 68 -4.979 -9.778 -5.545 1.00 0.00 H ATOM 1041 HD2 TYR A 68 -2.419 -10.975 -3.275 1.00 0.00 H ATOM 1042 HE2 TYR A 68 -1.969 -13.362 -2.785 1.00 0.00 H ATOM 1043 HE1 TYR A 68 -5.600 -14.455 -4.799 1.00 0.00 H ATOM 1044 HD1 TYR A 68 -6.047 -12.067 -5.279 1.00 0.00 H ATOM 1045 HH TYR A 68 -4.258 -15.920 -3.848 1.00 0.00 H ATOM 1046 H TYR A 68 -7.363 -10.099 -4.535 1.00 0.00 H ATOM 1047 N ASN A 69 -5.141 -6.996 -3.139 1.00 13.37 N ATOM 1048 CA ASN A 69 -5.307 -5.560 -3.317 1.00 11.43 C ATOM 1049 C ASN A 69 -4.280 -5.058 -4.314 1.00 11.10 C ATOM 1050 O ASN A 69 -3.180 -4.654 -3.949 1.00 12.25 O ATOM 1051 CB ASN A 69 -5.144 -4.856 -1.974 1.00 12.78 C ATOM 1052 CG ASN A 69 -6.092 -5.395 -0.933 1.00 12.85 C ATOM 1053 OD1 ASN A 69 -7.302 -5.438 -1.150 1.00 13.72 O ATOM 1054 ND2 ASN A 69 -5.551 -5.819 0.205 1.00 20.30 N ATOM 1055 HA ASN A 69 -6.304 -5.345 -3.701 1.00 0.00 H ATOM 1056 HB2 ASN A 69 -4.121 -4.997 -1.625 1.00 0.00 H ATOM 1057 HB3 ASN A 69 -5.337 -3.792 -2.109 1.00 0.00 H ATOM 1058 HD22 ASN A 69 -4.522 -5.763 0.344 1.00 0.00 H ATOM 1059 HD21 ASN A 69 -6.157 -6.207 0.956 1.00 0.00 H ATOM 1060 H ASN A 69 -4.437 -7.346 -2.458 1.00 0.00 H ATOM 1061 N ILE A 70 -4.660 -5.095 -5.586 1.00 9.09 N ATOM 1062 CA ILE A 70 -3.792 -4.673 -6.672 1.00 9.54 C ATOM 1063 C ILE A 70 -3.639 -3.155 -6.717 1.00 8.79 C ATOM 1064 O ILE A 70 -4.622 -2.421 -6.829 1.00 8.43 O ATOM 1065 CB ILE A 70 -4.342 -5.176 -8.020 1.00 8.92 C ATOM 1066 CG1 ILE A 70 -4.512 -6.698 -7.975 1.00 11.15 C ATOM 1067 CG2 ILE A 70 -3.414 -4.769 -9.150 1.00 12.73 C ATOM 1068 CD1 ILE A 70 -3.228 -7.470 -7.720 1.00 10.51 C ATOM 1069 HA ILE A 70 -2.809 -5.107 -6.491 1.00 0.00 H ATOM 1070 HB ILE A 70 -5.317 -4.723 -8.202 1.00 0.00 H ATOM 1071 HG12 ILE A 70 -5.217 -6.938 -7.180 1.00 0.00 H ATOM 1072 HG13 ILE A 70 -4.921 -7.023 -8.932 1.00 0.00 H ATOM 1073 HD11 ILE A 70 -2.512 -7.254 -8.513 1.00 0.00 H ATOM 1074 HD12 ILE A 70 -2.809 -7.169 -6.760 1.00 0.00 H ATOM 1075 HD13 ILE A 70 -3.445 -8.538 -7.705 1.00 0.00 H ATOM 1076 HG21 ILE A 70 -3.335 -3.682 -9.180 1.00 0.00 H ATOM 1077 HG22 ILE A 70 -2.428 -5.202 -8.983 1.00 0.00 H ATOM 1078 HG23 ILE A 70 -3.815 -5.131 -10.096 1.00 0.00 H ATOM 1079 H ILE A 70 -5.615 -5.439 -5.813 1.00 0.00 H ATOM 1080 N PRO A 71 -2.393 -2.666 -6.623 1.00 8.44 N ATOM 1081 CA PRO A 71 -2.114 -1.228 -6.652 1.00 7.34 C ATOM 1082 C PRO A 71 -2.173 -0.636 -8.058 1.00 7.99 C ATOM 1083 O PRO A 71 -1.473 -1.094 -8.964 1.00 8.31 O ATOM 1084 CB PRO A 71 -0.718 -1.141 -6.037 1.00 9.25 C ATOM 1085 CG PRO A 71 -0.075 -2.401 -6.520 1.00 11.36 C ATOM 1086 CD PRO A 71 -1.166 -3.434 -6.333 1.00 11.60 C ATOM 1087 HA PRO A 71 -2.858 -0.644 -6.110 1.00 0.00 H ATOM 1088 HD3 PRO A 71 -1.047 -4.263 -7.031 1.00 0.00 H ATOM 1089 HD2 PRO A 71 -1.174 -3.818 -5.313 1.00 0.00 H ATOM 1090 HG3 PRO A 71 0.804 -2.646 -5.923 1.00 0.00 H ATOM 1091 HG2 PRO A 71 0.211 -2.318 -7.569 1.00 0.00 H ATOM 1092 HB2 PRO A 71 -0.183 -0.262 -6.396 1.00 0.00 H ATOM 1093 HB3 PRO A 71 -0.767 -1.115 -4.948 1.00 0.00 H ATOM 1094 N ILE A 72 -3.011 0.383 -8.230 1.00 7.77 N ATOM 1095 CA ILE A 72 -3.164 1.037 -9.526 1.00 7.00 C ATOM 1096 C ILE A 72 -3.201 2.556 -9.402 1.00 6.93 C ATOM 1097 O ILE A 72 -3.295 3.110 -8.305 1.00 6.61 O ATOM 1098 CB ILE A 72 -4.475 0.599 -10.239 1.00 7.57 C ATOM 1099 CG1 ILE A 72 -5.689 1.055 -9.422 1.00 8.90 C ATOM 1100 CG2 ILE A 72 -4.491 -0.911 -10.435 1.00 10.03 C ATOM 1101 CD1 ILE A 72 -7.024 0.839 -10.119 1.00 9.10 C ATOM 1102 HA ILE A 72 -2.294 0.733 -10.109 1.00 0.00 H ATOM 1103 HB ILE A 72 -4.521 1.069 -11.222 1.00 0.00 H ATOM 1104 HG12 ILE A 72 -5.699 0.500 -8.484 1.00 0.00 H ATOM 1105 HG13 ILE A 72 -5.580 2.119 -9.212 1.00 0.00 H ATOM 1106 HD11 ILE A 72 -7.038 1.398 -11.055 1.00 0.00 H ATOM 1107 HD12 ILE A 72 -7.157 -0.223 -10.326 1.00 0.00 H ATOM 1108 HD13 ILE A 72 -7.830 1.188 -9.474 1.00 0.00 H ATOM 1109 HG21 ILE A 72 -3.638 -1.206 -11.046 1.00 0.00 H ATOM 1110 HG22 ILE A 72 -4.432 -1.403 -9.464 1.00 0.00 H ATOM 1111 HG23 ILE A 72 -5.415 -1.201 -10.935 1.00 0.00 H ATOM 1112 H ILE A 72 -3.571 0.722 -7.421 1.00 0.00 H ATOM 1113 N CYS A 73 -3.111 3.215 -10.551 1.00 6.94 N ATOM 1114 CA CYS A 73 -3.188 4.665 -10.637 1.00 6.93 C ATOM 1115 C CYS A 73 -3.908 4.962 -11.937 1.00 6.82 C ATOM 1116 O CYS A 73 -3.504 4.495 -13.005 1.00 9.56 O ATOM 1117 CB CYS A 73 -1.801 5.319 -10.658 1.00 10.49 C ATOM 1118 SG CYS A 73 -1.861 7.143 -10.819 1.00 14.47 S ATOM 1119 HA CYS A 73 -3.705 5.067 -9.766 1.00 0.00 H ATOM 1120 HB2 CYS A 73 -1.241 4.915 -11.501 1.00 0.00 H ATOM 1121 HB3 CYS A 73 -1.287 5.070 -9.730 1.00 0.00 H ATOM 1122 HG CYS A 73 -0.576 7.645 -10.829 1.00 0.00 H ATOM 1123 H CYS A 73 -2.980 2.671 -11.428 1.00 0.00 H ATOM 1124 N LEU A 74 -4.993 5.718 -11.838 1.00 5.07 N ATOM 1125 CA LEU A 74 -5.776 6.075 -13.009 1.00 4.35 C ATOM 1126 C LEU A 74 -5.701 7.575 -13.215 1.00 5.16 C ATOM 1127 O LEU A 74 -6.260 8.344 -12.429 1.00 7.08 O ATOM 1128 CB LEU A 74 -7.241 5.664 -12.823 1.00 6.39 C ATOM 1129 CG LEU A 74 -7.517 4.233 -12.357 1.00 6.25 C ATOM 1130 CD1 LEU A 74 -9.009 4.047 -12.134 1.00 11.00 C ATOM 1131 CD2 LEU A 74 -6.999 3.245 -13.391 1.00 11.90 C ATOM 1132 HA LEU A 74 -5.373 5.553 -13.877 1.00 0.00 H ATOM 1133 HB2 LEU A 74 -7.679 6.338 -12.087 1.00 0.00 H ATOM 1134 HB3 LEU A 74 -7.743 5.799 -13.781 1.00 0.00 H ATOM 1135 HG LEU A 74 -6.999 4.049 -11.416 1.00 0.00 H ATOM 1136 HD21 LEU A 74 -7.503 3.418 -14.342 1.00 0.00 H ATOM 1137 HD22 LEU A 74 -5.925 3.383 -13.517 1.00 0.00 H ATOM 1138 HD23 LEU A 74 -7.199 2.228 -13.052 1.00 0.00 H ATOM 1139 HD11 LEU A 74 -9.352 4.748 -11.373 1.00 0.00 H ATOM 1140 HD12 LEU A 74 -9.541 4.233 -13.067 1.00 0.00 H ATOM 1141 HD13 LEU A 74 -9.201 3.027 -11.802 1.00 0.00 H ATOM 1142 H LEU A 74 -5.290 6.063 -10.903 1.00 0.00 H ATOM 1143 N TRP A 75 -4.991 7.994 -14.257 1.00 4.52 N ATOM 1144 CA TRP A 75 -4.874 9.410 -14.562 1.00 4.27 C ATOM 1145 C TRP A 75 -6.060 9.848 -15.406 1.00 4.75 C ATOM 1146 O TRP A 75 -6.317 9.279 -16.468 1.00 5.79 O ATOM 1147 CB TRP A 75 -3.595 9.702 -15.348 1.00 5.32 C ATOM 1148 CG TRP A 75 -2.331 9.585 -14.568 1.00 7.17 C ATOM 1149 CD1 TRP A 75 -1.466 8.528 -14.555 1.00 8.72 C ATOM 1150 CD2 TRP A 75 -1.760 10.585 -13.720 1.00 7.54 C ATOM 1151 NE1 TRP A 75 -0.387 8.811 -13.752 1.00 11.83 N ATOM 1152 CE2 TRP A 75 -0.541 10.067 -13.227 1.00 9.01 C ATOM 1153 CE3 TRP A 75 -2.160 11.870 -13.327 1.00 8.84 C ATOM 1154 CZ2 TRP A 75 0.285 10.793 -12.361 1.00 11.01 C ATOM 1155 CZ3 TRP A 75 -1.339 12.593 -12.465 1.00 9.18 C ATOM 1156 CH2 TRP A 75 -0.128 12.048 -11.993 1.00 8.16 C ATOM 1157 HA TRP A 75 -4.847 9.954 -13.618 1.00 0.00 H ATOM 1158 HB2 TRP A 75 -3.544 9.001 -16.181 1.00 0.00 H ATOM 1159 HB3 TRP A 75 -3.661 10.719 -15.734 1.00 0.00 H ATOM 1160 HE1 TRP A 75 0.416 8.175 -13.572 1.00 0.00 H ATOM 1161 HD1 TRP A 75 -1.610 7.596 -15.102 1.00 0.00 H ATOM 1162 HZ2 TRP A 75 1.222 10.376 -11.993 1.00 0.00 H ATOM 1163 HH2 TRP A 75 0.495 12.637 -11.320 1.00 0.00 H ATOM 1164 HZ3 TRP A 75 -1.637 13.593 -12.151 1.00 0.00 H ATOM 1165 HE3 TRP A 75 -3.096 12.295 -13.689 1.00 0.00 H ATOM 1166 H TRP A 75 -4.512 7.298 -14.863 1.00 0.00 H ATOM 1167 N LEU A 76 -6.790 10.849 -14.932 1.00 4.23 N ATOM 1168 CA LEU A 76 -7.920 11.360 -15.686 1.00 4.01 C ATOM 1169 C LEU A 76 -7.427 12.564 -16.486 1.00 4.85 C ATOM 1170 O LEU A 76 -6.965 13.560 -15.920 1.00 5.15 O ATOM 1171 CB LEU A 76 -9.052 11.766 -14.739 1.00 5.36 C ATOM 1172 CG LEU A 76 -9.483 10.686 -13.741 1.00 4.60 C ATOM 1173 CD1 LEU A 76 -10.696 11.176 -12.959 1.00 7.89 C ATOM 1174 CD2 LEU A 76 -9.799 9.389 -14.466 1.00 6.40 C ATOM 1175 HA LEU A 76 -8.314 10.596 -16.356 1.00 0.00 H ATOM 1176 HB2 LEU A 76 -8.723 12.637 -14.173 1.00 0.00 H ATOM 1177 HB3 LEU A 76 -9.919 12.033 -15.343 1.00 0.00 H ATOM 1178 HG LEU A 76 -8.667 10.491 -13.046 1.00 0.00 H ATOM 1179 HD21 LEU A 76 -10.608 9.559 -15.176 1.00 0.00 H ATOM 1180 HD22 LEU A 76 -8.912 9.047 -14.999 1.00 0.00 H ATOM 1181 HD23 LEU A 76 -10.103 8.634 -13.741 1.00 0.00 H ATOM 1182 HD11 LEU A 76 -10.436 12.087 -12.421 1.00 0.00 H ATOM 1183 HD12 LEU A 76 -11.513 11.381 -13.650 1.00 0.00 H ATOM 1184 HD13 LEU A 76 -11.003 10.408 -12.249 1.00 0.00 H ATOM 1185 H LEU A 76 -6.551 11.271 -14.012 1.00 0.00 H ATOM 1186 N LEU A 77 -7.486 12.462 -17.806 1.00 4.14 N ATOM 1187 CA LEU A 77 -7.041 13.565 -18.648 1.00 4.98 C ATOM 1188 C LEU A 77 -8.044 14.706 -18.556 1.00 4.73 C ATOM 1189 O LEU A 77 -9.186 14.506 -18.133 1.00 4.06 O ATOM 1190 CB LEU A 77 -6.896 13.104 -20.098 1.00 5.57 C ATOM 1191 CG LEU A 77 -5.815 12.052 -20.345 1.00 5.99 C ATOM 1192 CD1 LEU A 77 -5.914 11.554 -21.774 1.00 9.72 C ATOM 1193 CD2 LEU A 77 -4.437 12.639 -20.074 1.00 9.72 C ATOM 1194 HA LEU A 77 -6.067 13.911 -18.300 1.00 0.00 H ATOM 1195 HB2 LEU A 77 -7.851 12.686 -20.416 1.00 0.00 H ATOM 1196 HB3 LEU A 77 -6.662 13.977 -20.707 1.00 0.00 H ATOM 1197 HG LEU A 77 -5.965 11.212 -19.666 1.00 0.00 H ATOM 1198 HD21 LEU A 77 -4.268 13.487 -20.737 1.00 0.00 H ATOM 1199 HD22 LEU A 77 -4.382 12.971 -19.037 1.00 0.00 H ATOM 1200 HD23 LEU A 77 -3.678 11.878 -20.254 1.00 0.00 H ATOM 1201 HD11 LEU A 77 -6.897 11.112 -21.936 1.00 0.00 H ATOM 1202 HD12 LEU A 77 -5.773 12.390 -22.459 1.00 0.00 H ATOM 1203 HD13 LEU A 77 -5.143 10.804 -21.950 1.00 0.00 H ATOM 1204 H LEU A 77 -7.851 11.592 -18.243 1.00 0.00 H ATOM 1205 N ASP A 78 -7.621 15.905 -18.945 1.00 5.09 N ATOM 1206 CA ASP A 78 -8.513 17.058 -18.896 1.00 4.03 C ATOM 1207 C ASP A 78 -9.675 16.930 -19.886 1.00 4.73 C ATOM 1208 O ASP A 78 -10.542 17.803 -19.950 1.00 6.50 O ATOM 1209 CB ASP A 78 -7.728 18.364 -19.124 1.00 4.64 C ATOM 1210 CG ASP A 78 -6.818 18.308 -20.337 1.00 5.81 C ATOM 1211 OD1 ASP A 78 -7.022 19.105 -21.277 1.00 8.40 O ATOM 1212 OD2 ASP A 78 -5.887 17.474 -20.347 1.00 5.82 O ATOM 1213 HA ASP A 78 -8.950 17.090 -17.898 1.00 0.00 H ATOM 1214 HB2 ASP A 78 -8.440 19.178 -19.262 1.00 0.00 H ATOM 1215 HB3 ASP A 78 -7.119 18.561 -18.242 1.00 0.00 H ATOM 1216 H ASP A 78 -6.646 16.022 -19.287 1.00 0.00 H ATOM 1217 N THR A 79 -9.692 15.832 -20.641 1.00 4.66 N ATOM 1218 CA THR A 79 -10.766 15.556 -21.592 1.00 5.81 C ATOM 1219 C THR A 79 -11.665 14.407 -21.112 1.00 4.53 C ATOM 1220 O THR A 79 -12.532 13.943 -21.857 1.00 5.87 O ATOM 1221 CB THR A 79 -10.217 15.188 -22.981 1.00 5.89 C ATOM 1222 OG1 THR A 79 -9.191 14.203 -22.835 1.00 6.93 O ATOM 1223 CG2 THR A 79 -9.649 16.411 -23.681 1.00 7.97 C ATOM 1224 HA THR A 79 -11.349 16.474 -21.662 1.00 0.00 H ATOM 1225 HB THR A 79 -11.033 14.793 -23.586 1.00 0.00 H ATOM 1226 HG1 THR A 79 -8.835 13.964 -23.727 1.00 0.00 H ATOM 1227 HG23 THR A 79 -10.432 17.161 -23.792 1.00 0.00 H ATOM 1228 HG21 THR A 79 -8.832 16.821 -23.087 1.00 0.00 H ATOM 1229 HG22 THR A 79 -9.277 16.125 -24.665 1.00 0.00 H ATOM 1230 H THR A 79 -8.914 15.148 -20.550 1.00 0.00 H ATOM 1231 N TYR A 80 -11.459 13.931 -19.885 1.00 4.63 N ATOM 1232 CA TYR A 80 -12.311 12.864 -19.356 1.00 4.38 C ATOM 1233 C TYR A 80 -13.728 13.457 -19.250 1.00 5.52 C ATOM 1234 O TYR A 80 -13.881 14.604 -18.843 1.00 5.87 O ATOM 1235 CB TYR A 80 -11.836 12.425 -17.963 1.00 4.57 C ATOM 1236 CG TYR A 80 -12.636 11.261 -17.434 1.00 5.63 C ATOM 1237 CD1 TYR A 80 -12.309 9.950 -17.790 1.00 5.59 C ATOM 1238 CD2 TYR A 80 -13.814 11.473 -16.721 1.00 6.44 C ATOM 1239 CE1 TYR A 80 -13.146 8.886 -17.467 1.00 5.88 C ATOM 1240 CE2 TYR A 80 -14.661 10.417 -16.396 1.00 6.18 C ATOM 1241 CZ TYR A 80 -14.325 9.130 -16.780 1.00 6.38 C ATOM 1242 OH TYR A 80 -15.209 8.104 -16.549 1.00 7.95 O ATOM 1243 HA TYR A 80 -12.280 11.989 -20.005 1.00 0.00 H ATOM 1244 HB3 TYR A 80 -11.939 13.264 -17.275 1.00 0.00 H ATOM 1245 HB2 TYR A 80 -10.788 12.133 -18.024 1.00 0.00 H ATOM 1246 HD2 TYR A 80 -14.077 12.485 -16.412 1.00 0.00 H ATOM 1247 HE2 TYR A 80 -15.582 10.602 -15.843 1.00 0.00 H ATOM 1248 HE1 TYR A 80 -12.877 7.869 -17.752 1.00 0.00 H ATOM 1249 HD1 TYR A 80 -11.382 9.757 -18.330 1.00 0.00 H ATOM 1250 HH TYR A 80 -16.058 8.288 -17.024 1.00 0.00 H ATOM 1251 H TYR A 80 -10.691 14.318 -19.301 1.00 0.00 H ATOM 1252 N PRO A 81 -14.787 12.674 -19.551 1.00 4.87 N ATOM 1253 CA PRO A 81 -14.895 11.276 -19.980 1.00 5.67 C ATOM 1254 C PRO A 81 -14.890 11.004 -21.485 1.00 5.43 C ATOM 1255 O PRO A 81 -15.173 9.881 -21.902 1.00 6.53 O ATOM 1256 CB PRO A 81 -16.217 10.849 -19.361 1.00 6.47 C ATOM 1257 CG PRO A 81 -17.063 12.054 -19.630 1.00 7.07 C ATOM 1258 CD PRO A 81 -16.135 13.229 -19.297 1.00 5.38 C ATOM 1259 HA PRO A 81 -14.011 10.724 -19.662 1.00 0.00 H ATOM 1260 HD3 PRO A 81 -16.336 14.082 -19.945 1.00 0.00 H ATOM 1261 HD2 PRO A 81 -16.244 13.531 -18.256 1.00 0.00 H ATOM 1262 HG3 PRO A 81 -17.945 12.061 -18.990 1.00 0.00 H ATOM 1263 HG2 PRO A 81 -17.373 12.087 -20.674 1.00 0.00 H ATOM 1264 HB2 PRO A 81 -16.619 9.961 -19.848 1.00 0.00 H ATOM 1265 HB3 PRO A 81 -16.116 10.661 -18.292 1.00 0.00 H ATOM 1266 N TYR A 82 -14.587 12.004 -22.305 1.00 5.53 N ATOM 1267 CA TYR A 82 -14.595 11.789 -23.748 1.00 5.37 C ATOM 1268 C TYR A 82 -13.356 11.046 -24.246 1.00 6.03 C ATOM 1269 O TYR A 82 -13.368 10.462 -25.333 1.00 8.83 O ATOM 1270 CB TYR A 82 -14.808 13.124 -24.466 1.00 6.96 C ATOM 1271 CG TYR A 82 -16.239 13.610 -24.325 1.00 7.09 C ATOM 1272 CD1 TYR A 82 -17.211 13.278 -25.272 1.00 8.40 C ATOM 1273 CD2 TYR A 82 -16.638 14.336 -23.204 1.00 7.33 C ATOM 1274 CE1 TYR A 82 -18.544 13.657 -25.098 1.00 10.17 C ATOM 1275 CE2 TYR A 82 -17.967 14.715 -23.020 1.00 8.76 C ATOM 1276 CZ TYR A 82 -18.912 14.373 -23.969 1.00 8.09 C ATOM 1277 OH TYR A 82 -20.225 14.746 -23.779 1.00 13.24 O ATOM 1278 HA TYR A 82 -15.430 11.131 -23.987 1.00 0.00 H ATOM 1279 HB3 TYR A 82 -14.579 12.998 -25.524 1.00 0.00 H ATOM 1280 HB2 TYR A 82 -14.137 13.868 -24.037 1.00 0.00 H ATOM 1281 HD2 TYR A 82 -15.896 14.613 -22.456 1.00 0.00 H ATOM 1282 HE2 TYR A 82 -18.259 15.278 -22.133 1.00 0.00 H ATOM 1283 HE1 TYR A 82 -19.291 13.391 -25.846 1.00 0.00 H ATOM 1284 HD1 TYR A 82 -16.925 12.715 -26.160 1.00 0.00 H ATOM 1285 HH TYR A 82 -20.771 14.428 -24.541 1.00 0.00 H ATOM 1286 H TYR A 82 -14.344 12.939 -21.919 1.00 0.00 H ATOM 1287 N ASN A 83 -12.295 11.072 -23.444 1.00 5.78 N ATOM 1288 CA ASN A 83 -11.070 10.335 -23.749 1.00 5.75 C ATOM 1289 C ASN A 83 -10.823 9.439 -22.547 1.00 6.55 C ATOM 1290 O ASN A 83 -11.117 9.820 -21.412 1.00 6.05 O ATOM 1291 CB ASN A 83 -9.862 11.258 -23.936 1.00 6.79 C ATOM 1292 CG ASN A 83 -9.900 12.015 -25.240 1.00 11.53 C ATOM 1293 OD1 ASN A 83 -10.441 11.536 -26.238 1.00 17.59 O ATOM 1294 ND2 ASN A 83 -9.303 13.195 -25.249 1.00 11.98 N ATOM 1295 HA ASN A 83 -11.190 9.785 -24.682 1.00 0.00 H ATOM 1296 HB2 ASN A 83 -9.842 11.976 -23.117 1.00 0.00 H ATOM 1297 HB3 ASN A 83 -8.955 10.654 -23.910 1.00 0.00 H ATOM 1298 HD22 ASN A 83 -8.859 13.560 -24.382 1.00 0.00 H ATOM 1299 HD21 ASN A 83 -9.277 13.758 -26.123 1.00 0.00 H ATOM 1300 H ASN A 83 -12.338 11.635 -22.571 1.00 0.00 H ATOM 1301 N PRO A 84 -10.270 8.240 -22.774 1.00 6.26 N ATOM 1302 CA PRO A 84 -10.005 7.317 -21.670 1.00 6.06 C ATOM 1303 C PRO A 84 -8.880 7.731 -20.742 1.00 5.23 C ATOM 1304 O PRO A 84 -8.000 8.511 -21.109 1.00 5.30 O ATOM 1305 CB PRO A 84 -9.692 6.003 -22.384 1.00 6.04 C ATOM 1306 CG PRO A 84 -9.044 6.465 -23.651 1.00 5.24 C ATOM 1307 CD PRO A 84 -9.931 7.620 -24.069 1.00 5.61 C ATOM 1308 HA PRO A 84 -10.857 7.268 -20.992 1.00 0.00 H ATOM 1309 HD3 PRO A 84 -9.395 8.317 -24.713 1.00 0.00 H ATOM 1310 HD2 PRO A 84 -10.824 7.266 -24.584 1.00 0.00 H ATOM 1311 HG3 PRO A 84 -9.042 5.676 -24.404 1.00 0.00 H ATOM 1312 HG2 PRO A 84 -8.021 6.797 -23.473 1.00 0.00 H ATOM 1313 HB2 PRO A 84 -9.011 5.388 -21.796 1.00 0.00 H ATOM 1314 HB3 PRO A 84 -10.603 5.440 -22.590 1.00 0.00 H ATOM 1315 N PRO A 85 -8.902 7.217 -19.509 1.00 4.01 N ATOM 1316 CA PRO A 85 -7.846 7.553 -18.555 1.00 3.84 C ATOM 1317 C PRO A 85 -6.587 6.770 -18.938 1.00 4.17 C ATOM 1318 O PRO A 85 -6.659 5.810 -19.708 1.00 5.96 O ATOM 1319 CB PRO A 85 -8.429 7.080 -17.229 1.00 6.33 C ATOM 1320 CG PRO A 85 -9.209 5.858 -17.639 1.00 6.36 C ATOM 1321 CD PRO A 85 -9.904 6.319 -18.903 1.00 5.08 C ATOM 1322 HA PRO A 85 -7.563 8.605 -18.523 1.00 0.00 H ATOM 1323 HD3 PRO A 85 -10.128 5.478 -19.559 1.00 0.00 H ATOM 1324 HD2 PRO A 85 -10.825 6.854 -18.674 1.00 0.00 H ATOM 1325 HG3 PRO A 85 -9.931 5.576 -16.873 1.00 0.00 H ATOM 1326 HG2 PRO A 85 -8.546 5.016 -17.839 1.00 0.00 H ATOM 1327 HB2 PRO A 85 -7.642 6.826 -16.519 1.00 0.00 H ATOM 1328 HB3 PRO A 85 -9.081 7.836 -16.792 1.00 0.00 H ATOM 1329 N ILE A 86 -5.438 7.197 -18.427 1.00 4.76 N ATOM 1330 CA ILE A 86 -4.184 6.490 -18.677 1.00 5.11 C ATOM 1331 C ILE A 86 -3.975 5.737 -17.371 1.00 6.01 C ATOM 1332 O ILE A 86 -3.882 6.345 -16.298 1.00 6.01 O ATOM 1333 CB ILE A 86 -3.028 7.466 -18.942 1.00 6.57 C ATOM 1334 CG1 ILE A 86 -3.347 8.324 -20.169 1.00 10.54 C ATOM 1335 CG2 ILE A 86 -1.731 6.688 -19.155 1.00 7.70 C ATOM 1336 CD1 ILE A 86 -3.517 7.542 -21.449 1.00 21.09 C ATOM 1337 HA ILE A 86 -4.217 5.848 -19.557 1.00 0.00 H ATOM 1338 HB ILE A 86 -2.903 8.121 -18.080 1.00 0.00 H ATOM 1339 HG12 ILE A 86 -4.272 8.866 -19.975 1.00 0.00 H ATOM 1340 HG13 ILE A 86 -2.533 9.035 -20.309 1.00 0.00 H ATOM 1341 HD11 ILE A 86 -2.596 7.002 -21.668 1.00 0.00 H ATOM 1342 HD12 ILE A 86 -4.337 6.833 -21.334 1.00 0.00 H ATOM 1343 HD13 ILE A 86 -3.741 8.228 -22.266 1.00 0.00 H ATOM 1344 HG21 ILE A 86 -1.510 6.101 -18.263 1.00 0.00 H ATOM 1345 HG22 ILE A 86 -1.844 6.022 -20.011 1.00 0.00 H ATOM 1346 HG23 ILE A 86 -0.916 7.387 -19.342 1.00 0.00 H ATOM 1347 H ILE A 86 -5.431 8.053 -17.836 1.00 0.00 H ATOM 1348 N CYS A 87 -3.904 4.413 -17.463 1.00 5.39 N ATOM 1349 CA CYS A 87 -3.821 3.564 -16.280 1.00 4.66 C ATOM 1350 C CYS A 87 -2.537 2.773 -16.090 1.00 3.58 C ATOM 1351 O CYS A 87 -1.986 2.230 -17.042 1.00 4.89 O ATOM 1352 CB CYS A 87 -5.010 2.598 -16.303 1.00 6.23 C ATOM 1353 SG CYS A 87 -6.572 3.383 -16.807 1.00 6.58 S ATOM 1354 HA CYS A 87 -3.835 4.251 -15.434 1.00 0.00 H ATOM 1355 HB2 CYS A 87 -5.138 2.184 -15.303 1.00 0.00 H ATOM 1356 HB3 CYS A 87 -4.787 1.792 -17.002 1.00 0.00 H ATOM 1357 HG CYS A 87 -6.435 3.902 -18.078 1.00 0.00 H ATOM 1358 H CYS A 87 -3.908 3.970 -18.404 1.00 0.00 H ATOM 1359 N PHE A 88 -2.094 2.684 -14.840 1.00 4.80 N ATOM 1360 CA PHE A 88 -0.869 1.972 -14.488 1.00 5.28 C ATOM 1361 C PHE A 88 -1.043 1.081 -13.269 1.00 6.24 C ATOM 1362 O PHE A 88 -1.862 1.357 -12.387 1.00 6.96 O ATOM 1363 CB PHE A 88 0.243 2.965 -14.129 1.00 7.00 C ATOM 1364 CG PHE A 88 0.750 3.773 -15.278 1.00 6.48 C ATOM 1365 CD1 PHE A 88 1.751 3.275 -16.105 1.00 8.97 C ATOM 1366 CD2 PHE A 88 0.234 5.041 -15.531 1.00 7.59 C ATOM 1367 CE1 PHE A 88 2.235 4.032 -17.171 1.00 8.98 C ATOM 1368 CE2 PHE A 88 0.710 5.803 -16.593 1.00 9.33 C ATOM 1369 CZ PHE A 88 1.713 5.296 -17.415 1.00 9.12 C ATOM 1370 HA PHE A 88 -0.618 1.369 -15.361 1.00 0.00 H ATOM 1371 HB2 PHE A 88 -0.144 3.651 -13.375 1.00 0.00 H ATOM 1372 HB3 PHE A 88 1.079 2.403 -13.713 1.00 0.00 H ATOM 1373 HD2 PHE A 88 -0.552 5.441 -14.890 1.00 0.00 H ATOM 1374 HE2 PHE A 88 0.299 6.795 -16.781 1.00 0.00 H ATOM 1375 HZ PHE A 88 2.088 5.890 -18.249 1.00 0.00 H ATOM 1376 HE1 PHE A 88 3.021 3.633 -17.812 1.00 0.00 H ATOM 1377 HD1 PHE A 88 2.161 2.283 -15.918 1.00 0.00 H ATOM 1378 H PHE A 88 -2.642 3.140 -14.083 1.00 0.00 H ATOM 1379 N VAL A 89 -0.257 0.012 -13.229 1.00 7.71 N ATOM 1380 CA VAL A 89 -0.218 -0.856 -12.064 1.00 8.15 C ATOM 1381 C VAL A 89 0.999 -0.255 -11.354 1.00 8.37 C ATOM 1382 O VAL A 89 2.008 0.045 -11.995 1.00 10.92 O ATOM 1383 CB VAL A 89 0.066 -2.319 -12.435 1.00 9.21 C ATOM 1384 CG1 VAL A 89 0.253 -3.139 -11.175 1.00 17.01 C ATOM 1385 CG2 VAL A 89 -1.083 -2.877 -13.257 1.00 17.87 C ATOM 1386 HA VAL A 89 -1.149 -0.892 -11.498 1.00 0.00 H ATOM 1387 HB VAL A 89 0.979 -2.368 -13.029 1.00 0.00 H ATOM 1388 HG11 VAL A 89 1.093 -2.741 -10.605 1.00 0.00 H ATOM 1389 HG12 VAL A 89 -0.654 -3.088 -10.572 1.00 0.00 H ATOM 1390 HG13 VAL A 89 0.454 -4.176 -11.444 1.00 0.00 H ATOM 1391 HG21 VAL A 89 -2.003 -2.825 -12.675 1.00 0.00 H ATOM 1392 HG22 VAL A 89 -1.195 -2.290 -14.168 1.00 0.00 H ATOM 1393 HG23 VAL A 89 -0.873 -3.915 -13.515 1.00 0.00 H ATOM 1394 H VAL A 89 0.344 -0.209 -14.049 1.00 0.00 H ATOM 1395 N LYS A 90 0.897 -0.053 -10.047 1.00 8.80 N ATOM 1396 CA LYS A 90 1.982 0.551 -9.281 1.00 8.97 C ATOM 1397 C LYS A 90 2.545 -0.436 -8.264 1.00 9.11 C ATOM 1398 O LYS A 90 2.154 -0.429 -7.097 1.00 11.65 O ATOM 1399 CB LYS A 90 1.463 1.799 -8.562 1.00 11.80 C ATOM 1400 CG LYS A 90 0.805 2.826 -9.481 1.00 13.74 C ATOM 1401 CD LYS A 90 1.813 3.496 -10.398 1.00 18.44 C ATOM 1402 CE LYS A 90 2.796 4.345 -9.608 1.00 21.64 C ATOM 1403 NZ LYS A 90 3.696 5.122 -10.499 1.00 26.13 N ATOM 1404 HA LYS A 90 2.783 0.827 -9.967 1.00 0.00 H ATOM 1405 HB2 LYS A 90 0.729 1.485 -7.820 1.00 0.00 H ATOM 1406 HB3 LYS A 90 2.303 2.279 -8.060 1.00 0.00 H ATOM 1407 HG2 LYS A 90 0.054 2.323 -10.090 1.00 0.00 H ATOM 1408 HG3 LYS A 90 0.324 3.589 -8.869 1.00 0.00 H ATOM 1409 HD2 LYS A 90 2.363 2.729 -10.943 1.00 0.00 H ATOM 1410 HD3 LYS A 90 1.282 4.132 -11.106 1.00 0.00 H ATOM 1411 HE2 LYS A 90 3.400 3.692 -8.979 1.00 0.00 H ATOM 1412 HE3 LYS A 90 2.238 5.038 -8.979 1.00 0.00 H ATOM 1413 HZ1 LYS A 90 4.238 4.467 -11.099 1.00 0.00 H ATOM 1414 HZ2 LYS A 90 3.127 5.753 -11.099 1.00 0.00 H ATOM 1415 HZ3 LYS A 90 4.350 5.687 -9.921 1.00 0.00 H ATOM 1416 H LYS A 90 0.023 -0.332 -9.557 1.00 0.00 H ATOM 1417 N PRO A 91 3.491 -1.286 -8.689 1.00 10.89 N ATOM 1418 CA PRO A 91 4.064 -2.263 -7.761 1.00 10.79 C ATOM 1419 C PRO A 91 4.774 -1.643 -6.568 1.00 11.00 C ATOM 1420 O PRO A 91 5.412 -0.598 -6.685 1.00 11.79 O ATOM 1421 CB PRO A 91 5.021 -3.051 -8.647 1.00 14.20 C ATOM 1422 CG PRO A 91 5.511 -2.009 -9.592 1.00 13.28 C ATOM 1423 CD PRO A 91 4.229 -1.286 -9.965 1.00 12.28 C ATOM 1424 HA PRO A 91 3.294 -2.874 -7.290 1.00 0.00 H ATOM 1425 HD3 PRO A 91 4.432 -0.270 -10.305 1.00 0.00 H ATOM 1426 HD2 PRO A 91 3.682 -1.824 -10.739 1.00 0.00 H ATOM 1427 HG3 PRO A 91 5.981 -2.458 -10.467 1.00 0.00 H ATOM 1428 HG2 PRO A 91 6.218 -1.336 -9.107 1.00 0.00 H ATOM 1429 HB2 PRO A 91 5.840 -3.473 -8.065 1.00 0.00 H ATOM 1430 HB3 PRO A 91 4.502 -3.851 -9.175 1.00 0.00 H ATOM 1431 N THR A 92 4.649 -2.299 -5.420 1.00 12.21 N ATOM 1432 CA THR A 92 5.309 -1.848 -4.206 1.00 15.07 C ATOM 1433 C THR A 92 6.655 -2.564 -4.172 1.00 16.38 C ATOM 1434 O THR A 92 7.008 -3.272 -5.117 1.00 17.99 O ATOM 1435 CB THR A 92 4.497 -2.217 -2.950 1.00 14.71 C ATOM 1436 OG1 THR A 92 4.317 -3.638 -2.892 1.00 17.36 O ATOM 1437 CG2 THR A 92 3.132 -1.539 -2.980 1.00 18.59 C ATOM 1438 HA THR A 92 5.414 -0.763 -4.209 1.00 0.00 H ATOM 1439 HB THR A 92 5.044 -1.877 -2.070 1.00 0.00 H ATOM 1440 HG1 THR A 92 3.795 -3.871 -2.084 1.00 0.00 H ATOM 1441 HG23 THR A 92 3.266 -0.458 -3.024 1.00 0.00 H ATOM 1442 HG21 THR A 92 2.580 -1.874 -3.858 1.00 0.00 H ATOM 1443 HG22 THR A 92 2.578 -1.801 -2.079 1.00 0.00 H ATOM 1444 H THR A 92 4.063 -3.158 -5.389 1.00 0.00 H ATOM 1445 N SER A 93 7.404 -2.393 -3.089 1.00 17.43 N ATOM 1446 CA SER A 93 8.713 -3.026 -2.976 1.00 19.10 C ATOM 1447 C SER A 93 8.638 -4.543 -2.835 1.00 18.75 C ATOM 1448 O SER A 93 9.643 -5.233 -2.995 1.00 24.58 O ATOM 1449 CB SER A 93 9.476 -2.445 -1.782 1.00 17.33 C ATOM 1450 OG SER A 93 8.814 -2.735 -0.562 1.00 22.36 O ATOM 1451 HA SER A 93 9.239 -2.814 -3.907 1.00 0.00 H ATOM 1452 HB2 SER A 93 9.550 -1.364 -1.899 1.00 0.00 H ATOM 1453 HB3 SER A 93 10.477 -2.876 -1.755 1.00 0.00 H ATOM 1454 HG SER A 93 7.906 -2.342 -0.579 1.00 0.00 H ATOM 1455 H SER A 93 7.052 -1.800 -2.311 1.00 0.00 H ATOM 1456 N SER A 94 7.451 -5.064 -2.544 1.00 18.95 N ATOM 1457 CA SER A 94 7.286 -6.503 -2.361 1.00 19.34 C ATOM 1458 C SER A 94 6.764 -7.245 -3.587 1.00 19.95 C ATOM 1459 O SER A 94 6.480 -8.442 -3.514 1.00 20.59 O ATOM 1460 CB SER A 94 6.347 -6.773 -1.184 1.00 21.91 C ATOM 1461 OG SER A 94 5.043 -6.288 -1.457 1.00 23.14 O ATOM 1462 HA SER A 94 8.288 -6.887 -2.171 1.00 0.00 H ATOM 1463 HB2 SER A 94 6.735 -6.275 -0.296 1.00 0.00 H ATOM 1464 HB3 SER A 94 6.299 -7.847 -1.005 1.00 0.00 H ATOM 1465 HG SER A 94 4.685 -6.741 -2.261 1.00 0.00 H ATOM 1466 H SER A 94 6.627 -4.437 -2.445 1.00 0.00 H ATOM 1467 N MET A 95 6.643 -6.548 -4.713 1.00 18.26 N ATOM 1468 CA MET A 95 6.132 -7.181 -5.924 1.00 17.18 C ATOM 1469 C MET A 95 6.826 -6.731 -7.206 1.00 14.67 C ATOM 1470 O MET A 95 7.618 -5.787 -7.204 1.00 16.11 O ATOM 1471 CB MET A 95 4.623 -6.934 -6.030 1.00 22.17 C ATOM 1472 CG MET A 95 4.212 -5.491 -5.786 1.00 20.23 C ATOM 1473 SD MET A 95 2.422 -5.252 -5.787 1.00 15.23 S ATOM 1474 CE MET A 95 2.022 -5.536 -4.067 1.00 18.06 C ATOM 1475 HA MET A 95 6.347 -8.245 -5.829 1.00 0.00 H ATOM 1476 HB2 MET A 95 4.299 -7.218 -7.031 1.00 0.00 H ATOM 1477 HB3 MET A 95 4.120 -7.562 -5.295 1.00 0.00 H ATOM 1478 HG2 MET A 95 4.645 -4.870 -6.570 1.00 0.00 H ATOM 1479 HG3 MET A 95 4.603 -5.178 -4.818 1.00 0.00 H ATOM 1480 HE1 MET A 95 2.322 -6.546 -3.787 1.00 0.00 H ATOM 1481 HE2 MET A 95 2.553 -4.813 -3.448 1.00 0.00 H ATOM 1482 HE3 MET A 95 0.948 -5.421 -3.921 1.00 0.00 H ATOM 1483 H MET A 95 6.915 -5.544 -4.730 1.00 0.00 H ATOM 1484 N THR A 96 6.527 -7.426 -8.299 1.00 14.22 N ATOM 1485 CA THR A 96 7.110 -7.110 -9.597 1.00 15.71 C ATOM 1486 C THR A 96 6.034 -7.101 -10.674 1.00 13.38 C ATOM 1487 O THR A 96 5.070 -7.863 -10.607 1.00 14.31 O ATOM 1488 CB THR A 96 8.178 -8.144 -9.998 1.00 20.46 C ATOM 1489 OG1 THR A 96 7.578 -9.442 -10.089 1.00 26.52 O ATOM 1490 CG2 THR A 96 9.297 -8.181 -8.971 1.00 19.15 C ATOM 1491 HA THR A 96 7.571 -6.126 -9.511 1.00 0.00 H ATOM 1492 HB THR A 96 8.594 -7.858 -10.964 1.00 0.00 H ATOM 1493 HG1 THR A 96 6.861 -9.426 -10.772 1.00 0.00 H ATOM 1494 HG23 THR A 96 9.756 -7.195 -8.899 1.00 0.00 H ATOM 1495 HG21 THR A 96 8.889 -8.465 -8.001 1.00 0.00 H ATOM 1496 HG22 THR A 96 10.047 -8.910 -9.278 1.00 0.00 H ATOM 1497 H THR A 96 5.857 -8.218 -8.226 1.00 0.00 H ATOM 1498 N ILE A 97 6.204 -6.232 -11.664 1.00 12.36 N ATOM 1499 CA ILE A 97 5.257 -6.129 -12.768 1.00 9.10 C ATOM 1500 C ILE A 97 5.346 -7.373 -13.644 1.00 10.29 C ATOM 1501 O ILE A 97 6.441 -7.811 -14.007 1.00 12.58 O ATOM 1502 CB ILE A 97 5.560 -4.904 -13.658 1.00 7.64 C ATOM 1503 CG1 ILE A 97 5.316 -3.611 -12.877 1.00 13.02 C ATOM 1504 CG2 ILE A 97 4.694 -4.948 -14.913 1.00 11.05 C ATOM 1505 CD1 ILE A 97 5.764 -2.360 -13.609 1.00 12.91 C ATOM 1506 HA ILE A 97 4.262 -6.026 -12.334 1.00 0.00 H ATOM 1507 HB ILE A 97 6.608 -4.930 -13.958 1.00 0.00 H ATOM 1508 HG12 ILE A 97 4.248 -3.528 -12.675 1.00 0.00 H ATOM 1509 HG13 ILE A 97 5.859 -3.671 -11.934 1.00 0.00 H ATOM 1510 HD11 ILE A 97 6.834 -2.421 -13.809 1.00 0.00 H ATOM 1511 HD12 ILE A 97 5.221 -2.277 -14.551 1.00 0.00 H ATOM 1512 HD13 ILE A 97 5.558 -1.486 -12.991 1.00 0.00 H ATOM 1513 HG21 ILE A 97 4.909 -5.860 -15.470 1.00 0.00 H ATOM 1514 HG22 ILE A 97 3.642 -4.935 -14.628 1.00 0.00 H ATOM 1515 HG23 ILE A 97 4.914 -4.080 -15.535 1.00 0.00 H ATOM 1516 H ILE A 97 7.036 -5.608 -11.651 1.00 0.00 H ATOM 1517 N LYS A 98 4.192 -7.945 -13.966 1.00 9.54 N ATOM 1518 CA LYS A 98 4.133 -9.113 -14.830 1.00 9.92 C ATOM 1519 C LYS A 98 3.799 -8.606 -16.226 1.00 10.42 C ATOM 1520 O LYS A 98 2.631 -8.426 -16.568 1.00 12.50 O ATOM 1521 CB LYS A 98 3.046 -10.082 -14.360 1.00 13.32 C ATOM 1522 CG LYS A 98 2.926 -11.344 -15.204 1.00 16.24 C ATOM 1523 CD LYS A 98 4.188 -12.187 -15.126 1.00 14.94 C ATOM 1524 CE LYS A 98 4.018 -13.512 -15.855 1.00 20.05 C ATOM 1525 NZ LYS A 98 5.239 -14.359 -15.749 1.00 24.75 N ATOM 1526 HA LYS A 98 5.082 -9.650 -14.813 1.00 0.00 H ATOM 1527 HB2 LYS A 98 3.270 -10.376 -13.335 1.00 0.00 H ATOM 1528 HB3 LYS A 98 2.089 -9.561 -14.386 1.00 0.00 H ATOM 1529 HG2 LYS A 98 2.083 -11.933 -14.843 1.00 0.00 H ATOM 1530 HG3 LYS A 98 2.752 -11.061 -16.242 1.00 0.00 H ATOM 1531 HD2 LYS A 98 5.012 -11.636 -15.580 1.00 0.00 H ATOM 1532 HD3 LYS A 98 4.418 -12.385 -14.079 1.00 0.00 H ATOM 1533 HE2 LYS A 98 3.816 -13.313 -16.907 1.00 0.00 H ATOM 1534 HE3 LYS A 98 3.176 -14.050 -15.420 1.00 0.00 H ATOM 1535 HZ1 LYS A 98 6.046 -13.855 -16.168 1.00 0.00 H ATOM 1536 HZ2 LYS A 98 5.435 -14.558 -14.747 1.00 0.00 H ATOM 1537 HZ3 LYS A 98 5.085 -15.253 -16.258 1.00 0.00 H ATOM 1538 H LYS A 98 3.307 -7.547 -13.591 1.00 0.00 H ATOM 1539 N THR A 99 4.827 -8.346 -17.022 1.00 8.86 N ATOM 1540 CA THR A 99 4.616 -7.870 -18.378 1.00 8.38 C ATOM 1541 C THR A 99 3.890 -8.968 -19.142 1.00 7.30 C ATOM 1542 O THR A 99 4.262 -10.138 -19.068 1.00 7.81 O ATOM 1543 CB THR A 99 5.961 -7.539 -19.054 1.00 6.61 C ATOM 1544 OG1 THR A 99 6.600 -6.481 -18.327 1.00 9.55 O ATOM 1545 CG2 THR A 99 5.756 -7.102 -20.494 1.00 8.56 C ATOM 1546 HA THR A 99 4.023 -6.955 -18.370 1.00 0.00 H ATOM 1547 HB THR A 99 6.582 -8.435 -19.051 1.00 0.00 H ATOM 1548 HG1 THR A 99 6.757 -6.771 -17.394 1.00 0.00 H ATOM 1549 HG23 THR A 99 5.270 -7.904 -21.050 1.00 0.00 H ATOM 1550 HG21 THR A 99 5.129 -6.211 -20.516 1.00 0.00 H ATOM 1551 HG22 THR A 99 6.723 -6.879 -20.946 1.00 0.00 H ATOM 1552 H THR A 99 5.796 -8.485 -16.671 1.00 0.00 H ATOM 1553 N GLY A 100 2.840 -8.588 -19.859 1.00 5.56 N ATOM 1554 CA GLY A 100 2.078 -9.561 -20.611 1.00 6.98 C ATOM 1555 C GLY A 100 1.087 -8.916 -21.551 1.00 5.39 C ATOM 1556 O GLY A 100 1.262 -7.780 -21.986 1.00 6.74 O ATOM 1557 HA3 GLY A 100 1.535 -10.197 -19.912 1.00 0.00 H ATOM 1558 HA2 GLY A 100 2.768 -10.171 -21.194 1.00 0.00 H ATOM 1559 H GLY A 100 2.564 -7.586 -19.880 1.00 0.00 H ATOM 1560 N LYS A 101 0.026 -9.649 -21.852 1.00 7.20 N ATOM 1561 CA LYS A 101 -1.003 -9.181 -22.761 1.00 8.79 C ATOM 1562 C LYS A 101 -1.559 -7.798 -22.422 1.00 7.48 C ATOM 1563 O LYS A 101 -1.654 -6.930 -23.290 1.00 8.50 O ATOM 1564 CB LYS A 101 -2.144 -10.208 -22.786 1.00 8.39 C ATOM 1565 CG LYS A 101 -3.194 -9.996 -23.858 1.00 10.91 C ATOM 1566 CD LYS A 101 -4.113 -11.207 -23.897 1.00 14.54 C ATOM 1567 CE LYS A 101 -5.080 -11.160 -25.057 1.00 22.71 C ATOM 1568 NZ LYS A 101 -5.906 -12.401 -25.106 1.00 22.39 N ATOM 1569 HA LYS A 101 -0.535 -9.079 -23.740 1.00 0.00 H ATOM 1570 HB2 LYS A 101 -1.705 -11.194 -22.937 1.00 0.00 H ATOM 1571 HB3 LYS A 101 -2.643 -10.179 -21.817 1.00 0.00 H ATOM 1572 HG2 LYS A 101 -3.775 -9.103 -23.629 1.00 0.00 H ATOM 1573 HG3 LYS A 101 -2.709 -9.874 -24.826 1.00 0.00 H ATOM 1574 HD2 LYS A 101 -3.504 -12.106 -23.985 1.00 0.00 H ATOM 1575 HD3 LYS A 101 -4.682 -11.245 -22.968 1.00 0.00 H ATOM 1576 HE2 LYS A 101 -4.519 -11.066 -25.987 1.00 0.00 H ATOM 1577 HE3 LYS A 101 -5.736 -10.297 -24.941 1.00 0.00 H ATOM 1578 HZ1 LYS A 101 -5.283 -13.226 -25.220 1.00 0.00 H ATOM 1579 HZ2 LYS A 101 -6.446 -12.492 -24.222 1.00 0.00 H ATOM 1580 HZ3 LYS A 101 -6.563 -12.347 -25.910 1.00 0.00 H ATOM 1581 H LYS A 101 -0.073 -10.591 -21.423 1.00 0.00 H ATOM 1582 N HIS A 102 -1.902 -7.583 -21.157 1.00 6.41 N ATOM 1583 CA HIS A 102 -2.513 -6.319 -20.759 1.00 5.45 C ATOM 1584 C HIS A 102 -1.658 -5.341 -19.964 1.00 6.15 C ATOM 1585 O HIS A 102 -2.166 -4.334 -19.470 1.00 6.33 O ATOM 1586 CB HIS A 102 -3.806 -6.619 -19.988 1.00 5.86 C ATOM 1587 CG HIS A 102 -4.796 -7.431 -20.767 1.00 8.68 C ATOM 1588 ND1 HIS A 102 -5.445 -6.943 -21.881 1.00 11.57 N ATOM 1589 CD2 HIS A 102 -5.230 -8.704 -20.607 1.00 10.94 C ATOM 1590 CE1 HIS A 102 -6.237 -7.880 -22.373 1.00 10.93 C ATOM 1591 NE2 HIS A 102 -6.125 -8.957 -21.618 1.00 11.48 N ATOM 1592 HA HIS A 102 -2.685 -5.794 -21.699 1.00 0.00 H ATOM 1593 HB2 HIS A 102 -3.548 -7.167 -19.082 1.00 0.00 H ATOM 1594 HB3 HIS A 102 -4.274 -5.672 -19.718 1.00 0.00 H ATOM 1595 HD2 HIS A 102 -4.926 -9.398 -19.823 1.00 0.00 H ATOM 1596 HE1 HIS A 102 -6.874 -7.780 -23.252 1.00 0.00 H ATOM 1597 H HIS A 102 -1.734 -8.322 -20.444 1.00 0.00 H ATOM 1598 N VAL A 103 -0.363 -5.613 -19.856 1.00 5.22 N ATOM 1599 CA VAL A 103 0.520 -4.736 -19.093 1.00 6.89 C ATOM 1600 C VAL A 103 1.907 -4.716 -19.721 1.00 4.47 C ATOM 1601 O VAL A 103 2.470 -5.777 -19.998 1.00 6.39 O ATOM 1602 CB VAL A 103 0.654 -5.236 -17.634 1.00 7.47 C ATOM 1603 CG1 VAL A 103 1.434 -4.230 -16.800 1.00 10.40 C ATOM 1604 CG2 VAL A 103 -0.722 -5.481 -17.034 1.00 11.20 C ATOM 1605 HA VAL A 103 0.088 -3.735 -19.101 1.00 0.00 H ATOM 1606 HB VAL A 103 1.202 -6.178 -17.634 1.00 0.00 H ATOM 1607 HG11 VAL A 103 2.429 -4.101 -17.225 1.00 0.00 H ATOM 1608 HG12 VAL A 103 0.910 -3.274 -16.802 1.00 0.00 H ATOM 1609 HG13 VAL A 103 1.519 -4.596 -15.777 1.00 0.00 H ATOM 1610 HG21 VAL A 103 -1.291 -4.552 -17.042 1.00 0.00 H ATOM 1611 HG22 VAL A 103 -1.245 -6.234 -17.623 1.00 0.00 H ATOM 1612 HG23 VAL A 103 -0.612 -5.832 -16.008 1.00 0.00 H ATOM 1613 H VAL A 103 0.026 -6.459 -20.319 1.00 0.00 H ATOM 1614 N ASP A 104 2.462 -3.526 -19.961 1.00 5.04 N ATOM 1615 CA ASP A 104 3.800 -3.463 -20.543 1.00 6.13 C ATOM 1616 C ASP A 104 4.880 -3.314 -19.475 1.00 6.51 C ATOM 1617 O ASP A 104 4.589 -3.327 -18.280 1.00 6.23 O ATOM 1618 CB ASP A 104 3.911 -2.360 -21.620 1.00 5.41 C ATOM 1619 CG ASP A 104 3.877 -0.941 -21.059 1.00 6.02 C ATOM 1620 OD1 ASP A 104 4.026 -0.746 -19.837 1.00 5.15 O ATOM 1621 OD2 ASP A 104 3.718 0.002 -21.866 1.00 6.36 O ATOM 1622 HA ASP A 104 3.970 -4.417 -21.042 1.00 0.00 H ATOM 1623 HB2 ASP A 104 4.851 -2.495 -22.155 1.00 0.00 H ATOM 1624 HB3 ASP A 104 3.079 -2.474 -22.315 1.00 0.00 H ATOM 1625 H ASP A 104 1.946 -2.651 -19.736 1.00 0.00 H ATOM 1626 N ALA A 105 6.129 -3.184 -19.910 1.00 7.29 N ATOM 1627 CA ALA A 105 7.260 -3.076 -18.995 1.00 9.37 C ATOM 1628 C ALA A 105 7.136 -1.969 -17.957 1.00 7.63 C ATOM 1629 O ALA A 105 7.626 -2.105 -16.834 1.00 9.43 O ATOM 1630 CB ALA A 105 8.551 -2.892 -19.792 1.00 9.46 C ATOM 1631 HA ALA A 105 7.275 -4.009 -18.432 1.00 0.00 H ATOM 1632 HB1 ALA A 105 8.697 -3.750 -20.448 1.00 0.00 H ATOM 1633 HB2 ALA A 105 8.481 -1.983 -20.390 1.00 0.00 H ATOM 1634 HB3 ALA A 105 9.393 -2.812 -19.104 1.00 0.00 H ATOM 1635 H ALA A 105 6.306 -3.158 -20.935 1.00 0.00 H ATOM 1636 N ASN A 106 6.480 -0.877 -18.328 1.00 5.90 N ATOM 1637 CA ASN A 106 6.326 0.257 -17.424 1.00 6.02 C ATOM 1638 C ASN A 106 5.102 0.166 -16.534 1.00 5.94 C ATOM 1639 O ASN A 106 4.841 1.066 -15.738 1.00 7.89 O ATOM 1640 CB ASN A 106 6.276 1.553 -18.226 1.00 7.08 C ATOM 1641 CG ASN A 106 7.536 1.777 -19.025 1.00 8.29 C ATOM 1642 OD1 ASN A 106 8.639 1.680 -18.492 1.00 9.88 O ATOM 1643 ND2 ASN A 106 7.383 2.075 -20.307 1.00 10.27 N ATOM 1644 HA ASN A 106 7.193 0.242 -16.764 1.00 0.00 H ATOM 1645 HB2 ASN A 106 5.429 1.510 -18.910 1.00 0.00 H ATOM 1646 HB3 ASN A 106 6.143 2.388 -17.537 1.00 0.00 H ATOM 1647 HD22 ASN A 106 6.429 2.146 -20.714 1.00 0.00 H ATOM 1648 HD21 ASN A 106 8.217 2.238 -20.906 1.00 0.00 H ATOM 1649 H ASN A 106 6.068 -0.829 -19.282 1.00 0.00 H ATOM 1650 N GLY A 107 4.355 -0.924 -16.669 1.00 6.01 N ATOM 1651 CA GLY A 107 3.162 -1.093 -15.866 1.00 5.98 C ATOM 1652 C GLY A 107 1.938 -0.441 -16.487 1.00 4.88 C ATOM 1653 O GLY A 107 0.891 -0.384 -15.847 1.00 6.22 O ATOM 1654 HA3 GLY A 107 3.335 -0.648 -14.886 1.00 0.00 H ATOM 1655 HA2 GLY A 107 2.968 -2.159 -15.750 1.00 0.00 H ATOM 1656 H GLY A 107 4.628 -1.658 -17.353 1.00 0.00 H ATOM 1657 N LYS A 108 2.056 0.061 -17.714 1.00 4.61 N ATOM 1658 CA LYS A 108 0.906 0.675 -18.375 1.00 4.97 C ATOM 1659 C LYS A 108 -0.072 -0.421 -18.764 1.00 3.88 C ATOM 1660 O LYS A 108 0.311 -1.468 -19.293 1.00 4.97 O ATOM 1661 CB LYS A 108 1.321 1.465 -19.621 1.00 6.76 C ATOM 1662 CG LYS A 108 0.141 2.197 -20.257 1.00 9.26 C ATOM 1663 CD LYS A 108 0.567 3.264 -21.251 1.00 13.17 C ATOM 1664 CE LYS A 108 1.200 2.679 -22.495 1.00 19.33 C ATOM 1665 NZ LYS A 108 1.559 3.753 -23.463 1.00 24.52 N ATOM 1666 HA LYS A 108 0.441 1.377 -17.683 1.00 0.00 H ATOM 1667 HB2 LYS A 108 2.077 2.197 -19.338 1.00 0.00 H ATOM 1668 HB3 LYS A 108 1.741 0.774 -20.352 1.00 0.00 H ATOM 1669 HG2 LYS A 108 -0.481 1.468 -20.776 1.00 0.00 H ATOM 1670 HG3 LYS A 108 -0.440 2.671 -19.466 1.00 0.00 H ATOM 1671 HD2 LYS A 108 -0.311 3.840 -21.543 1.00 0.00 H ATOM 1672 HD3 LYS A 108 1.289 3.923 -20.768 1.00 0.00 H ATOM 1673 HE2 LYS A 108 0.495 1.994 -22.966 1.00 0.00 H ATOM 1674 HE3 LYS A 108 2.102 2.134 -22.215 1.00 0.00 H ATOM 1675 HZ1 LYS A 108 0.701 4.273 -23.736 1.00 0.00 H ATOM 1676 HZ2 LYS A 108 2.235 4.407 -23.019 1.00 0.00 H ATOM 1677 HZ3 LYS A 108 1.991 3.327 -24.307 1.00 0.00 H ATOM 1678 H LYS A 108 2.972 0.016 -18.205 1.00 0.00 H ATOM 1679 N ILE A 109 -1.344 -0.166 -18.492 1.00 4.00 N ATOM 1680 CA ILE A 109 -2.403 -1.123 -18.769 1.00 5.15 C ATOM 1681 C ILE A 109 -3.006 -0.932 -20.156 1.00 6.49 C ATOM 1682 O ILE A 109 -3.246 0.195 -20.589 1.00 5.05 O ATOM 1683 CB ILE A 109 -3.501 -1.001 -17.684 1.00 5.34 C ATOM 1684 CG1 ILE A 109 -2.898 -1.341 -16.316 1.00 6.48 C ATOM 1685 CG2 ILE A 109 -4.685 -1.909 -18.009 1.00 5.25 C ATOM 1686 CD1 ILE A 109 -3.792 -0.990 -15.143 1.00 7.54 C ATOM 1687 HA ILE A 109 -1.967 -2.122 -18.747 1.00 0.00 H ATOM 1688 HB ILE A 109 -3.875 0.023 -17.660 1.00 0.00 H ATOM 1689 HG12 ILE A 109 -2.698 -2.412 -16.286 1.00 0.00 H ATOM 1690 HG13 ILE A 109 -1.961 -0.794 -16.209 1.00 0.00 H ATOM 1691 HD11 ILE A 109 -3.993 0.081 -15.149 1.00 0.00 H ATOM 1692 HD12 ILE A 109 -4.731 -1.538 -15.226 1.00 0.00 H ATOM 1693 HD13 ILE A 109 -3.293 -1.262 -14.213 1.00 0.00 H ATOM 1694 HG21 ILE A 109 -5.107 -1.622 -18.972 1.00 0.00 H ATOM 1695 HG22 ILE A 109 -4.346 -2.944 -18.053 1.00 0.00 H ATOM 1696 HG23 ILE A 109 -5.444 -1.806 -17.233 1.00 0.00 H ATOM 1697 H ILE A 109 -1.593 0.750 -18.066 1.00 0.00 H ATOM 1698 N TYR A 110 -3.215 -2.051 -20.848 1.00 4.03 N ATOM 1699 CA TYR A 110 -3.808 -2.070 -22.183 1.00 4.97 C ATOM 1700 C TYR A 110 -5.043 -2.955 -22.100 1.00 4.77 C ATOM 1701 O TYR A 110 -4.958 -4.113 -21.692 1.00 6.12 O ATOM 1702 CB TYR A 110 -2.844 -2.672 -23.212 1.00 8.34 C ATOM 1703 CG TYR A 110 -1.557 -1.906 -23.412 1.00 6.49 C ATOM 1704 CD1 TYR A 110 -0.583 -1.877 -22.418 1.00 6.03 C ATOM 1705 CD2 TYR A 110 -1.301 -1.232 -24.606 1.00 7.86 C ATOM 1706 CE1 TYR A 110 0.620 -1.200 -22.606 1.00 6.92 C ATOM 1707 CE2 TYR A 110 -0.100 -0.548 -24.804 1.00 7.07 C ATOM 1708 CZ TYR A 110 0.854 -0.541 -23.799 1.00 6.89 C ATOM 1709 OH TYR A 110 2.056 0.106 -23.986 1.00 7.80 O ATOM 1710 HA TYR A 110 -4.044 -1.053 -22.497 1.00 0.00 H ATOM 1711 HB3 TYR A 110 -3.361 -2.720 -24.171 1.00 0.00 H ATOM 1712 HB2 TYR A 110 -2.589 -3.681 -22.887 1.00 0.00 H ATOM 1713 HD2 TYR A 110 -2.051 -1.239 -25.397 1.00 0.00 H ATOM 1714 HE2 TYR A 110 0.086 -0.024 -25.741 1.00 0.00 H ATOM 1715 HE1 TYR A 110 1.372 -1.190 -21.817 1.00 0.00 H ATOM 1716 HD1 TYR A 110 -0.765 -2.393 -21.475 1.00 0.00 H ATOM 1717 HH TYR A 110 2.611 0.010 -23.172 1.00 0.00 H ATOM 1718 H TYR A 110 -2.942 -2.957 -20.416 1.00 0.00 H ATOM 1719 N LEU A 111 -6.188 -2.403 -22.484 1.00 5.56 N ATOM 1720 CA LEU A 111 -7.444 -3.148 -22.451 1.00 5.50 C ATOM 1721 C LEU A 111 -8.329 -2.699 -23.594 1.00 5.96 C ATOM 1722 O LEU A 111 -8.314 -1.530 -23.969 1.00 5.22 O ATOM 1723 CB LEU A 111 -8.199 -2.879 -21.145 1.00 6.26 C ATOM 1724 CG LEU A 111 -7.607 -3.365 -19.826 1.00 5.59 C ATOM 1725 CD1 LEU A 111 -8.307 -2.680 -18.662 1.00 6.82 C ATOM 1726 CD2 LEU A 111 -7.742 -4.872 -19.729 1.00 9.09 C ATOM 1727 HA LEU A 111 -7.209 -4.209 -22.532 1.00 0.00 H ATOM 1728 HB2 LEU A 111 -8.316 -1.798 -21.062 1.00 0.00 H ATOM 1729 HB3 LEU A 111 -9.180 -3.343 -21.243 1.00 0.00 H ATOM 1730 HG LEU A 111 -6.548 -3.111 -19.786 1.00 0.00 H ATOM 1731 HD21 LEU A 111 -8.796 -5.145 -19.775 1.00 0.00 H ATOM 1732 HD22 LEU A 111 -7.209 -5.337 -20.558 1.00 0.00 H ATOM 1733 HD23 LEU A 111 -7.318 -5.214 -18.785 1.00 0.00 H ATOM 1734 HD11 LEU A 111 -8.172 -1.601 -18.742 1.00 0.00 H ATOM 1735 HD12 LEU A 111 -9.371 -2.917 -18.689 1.00 0.00 H ATOM 1736 HD13 LEU A 111 -7.879 -3.032 -17.724 1.00 0.00 H ATOM 1737 H LEU A 111 -6.191 -1.417 -22.816 1.00 0.00 H ATOM 1738 N PRO A 112 -9.104 -3.629 -24.175 1.00 6.07 N ATOM 1739 CA PRO A 112 -9.995 -3.253 -25.274 1.00 5.59 C ATOM 1740 C PRO A 112 -10.902 -2.098 -24.835 1.00 6.18 C ATOM 1741 O PRO A 112 -11.197 -1.199 -25.616 1.00 6.46 O ATOM 1742 CB PRO A 112 -10.777 -4.538 -25.530 1.00 6.67 C ATOM 1743 CG PRO A 112 -9.746 -5.599 -25.261 1.00 8.61 C ATOM 1744 CD PRO A 112 -9.065 -5.094 -23.996 1.00 7.38 C ATOM 1745 HA PRO A 112 -9.485 -2.897 -26.169 1.00 0.00 H ATOM 1746 HD3 PRO A 112 -9.614 -5.397 -23.105 1.00 0.00 H ATOM 1747 HD2 PRO A 112 -8.039 -5.456 -23.929 1.00 0.00 H ATOM 1748 HG3 PRO A 112 -9.037 -5.676 -26.085 1.00 0.00 H ATOM 1749 HG2 PRO A 112 -10.214 -6.569 -25.095 1.00 0.00 H ATOM 1750 HB2 PRO A 112 -11.623 -4.628 -24.849 1.00 0.00 H ATOM 1751 HB3 PRO A 112 -11.134 -4.585 -26.559 1.00 0.00 H ATOM 1752 N TYR A 113 -11.323 -2.130 -23.571 1.00 4.94 N ATOM 1753 CA TYR A 113 -12.205 -1.107 -23.008 1.00 4.81 C ATOM 1754 C TYR A 113 -11.586 0.285 -23.118 1.00 5.07 C ATOM 1755 O TYR A 113 -12.282 1.268 -23.362 1.00 6.85 O ATOM 1756 CB TYR A 113 -12.497 -1.423 -21.537 1.00 5.23 C ATOM 1757 CG TYR A 113 -13.742 -0.761 -20.975 1.00 3.34 C ATOM 1758 CD1 TYR A 113 -14.991 -1.394 -21.055 1.00 5.13 C ATOM 1759 CD2 TYR A 113 -13.677 0.482 -20.349 1.00 5.41 C ATOM 1760 CE1 TYR A 113 -16.136 -0.801 -20.519 1.00 4.80 C ATOM 1761 CE2 TYR A 113 -14.821 1.084 -19.814 1.00 4.01 C ATOM 1762 CZ TYR A 113 -16.041 0.435 -19.902 1.00 4.21 C ATOM 1763 OH TYR A 113 -17.160 1.030 -19.365 1.00 6.18 O ATOM 1764 HA TYR A 113 -13.133 -1.114 -23.579 1.00 0.00 H ATOM 1765 HB3 TYR A 113 -11.643 -1.096 -20.944 1.00 0.00 H ATOM 1766 HB2 TYR A 113 -12.614 -2.502 -21.439 1.00 0.00 H ATOM 1767 HD2 TYR A 113 -12.718 0.995 -20.275 1.00 0.00 H ATOM 1768 HE2 TYR A 113 -14.752 2.059 -19.331 1.00 0.00 H ATOM 1769 HE1 TYR A 113 -17.099 -1.308 -20.586 1.00 0.00 H ATOM 1770 HD1 TYR A 113 -15.069 -2.365 -21.544 1.00 0.00 H ATOM 1771 HH TYR A 113 -17.945 0.444 -19.509 1.00 0.00 H ATOM 1772 H TYR A 113 -11.013 -2.913 -22.961 1.00 0.00 H ATOM 1773 N LEU A 114 -10.274 0.367 -22.924 1.00 5.23 N ATOM 1774 CA LEU A 114 -9.577 1.640 -23.012 1.00 6.09 C ATOM 1775 C LEU A 114 -9.359 2.046 -24.464 1.00 5.87 C ATOM 1776 O LEU A 114 -9.589 3.195 -24.834 1.00 6.74 O ATOM 1777 CB LEU A 114 -8.226 1.550 -22.291 1.00 5.97 C ATOM 1778 CG LEU A 114 -8.278 1.406 -20.766 1.00 5.11 C ATOM 1779 CD1 LEU A 114 -6.906 1.003 -20.248 1.00 7.18 C ATOM 1780 CD2 LEU A 114 -8.737 2.722 -20.139 1.00 6.22 C ATOM 1781 HA LEU A 114 -10.195 2.398 -22.532 1.00 0.00 H ATOM 1782 HB2 LEU A 114 -7.694 0.686 -22.688 1.00 0.00 H ATOM 1783 HB3 LEU A 114 -7.666 2.457 -22.520 1.00 0.00 H ATOM 1784 HG LEU A 114 -8.993 0.630 -20.492 1.00 0.00 H ATOM 1785 HD21 LEU A 114 -8.036 3.513 -20.404 1.00 0.00 H ATOM 1786 HD22 LEU A 114 -9.729 2.974 -20.513 1.00 0.00 H ATOM 1787 HD23 LEU A 114 -8.772 2.614 -19.055 1.00 0.00 H ATOM 1788 HD11 LEU A 114 -6.616 0.052 -20.694 1.00 0.00 H ATOM 1789 HD12 LEU A 114 -6.178 1.769 -20.517 1.00 0.00 H ATOM 1790 HD13 LEU A 114 -6.944 0.901 -19.163 1.00 0.00 H ATOM 1791 H LEU A 114 -9.736 -0.495 -22.705 1.00 0.00 H ATOM 1792 N HIS A 115 -8.943 1.089 -25.286 1.00 5.19 N ATOM 1793 CA HIS A 115 -8.660 1.352 -26.691 1.00 5.55 C ATOM 1794 C HIS A 115 -9.835 1.907 -27.500 1.00 7.26 C ATOM 1795 O HIS A 115 -9.648 2.768 -28.358 1.00 8.47 O ATOM 1796 CB HIS A 115 -8.134 0.077 -27.352 1.00 7.21 C ATOM 1797 CG HIS A 115 -7.769 0.250 -28.793 1.00 9.63 C ATOM 1798 ND1 HIS A 115 -6.781 1.115 -29.212 1.00 12.66 N ATOM 1799 CD2 HIS A 115 -8.258 -0.334 -29.912 1.00 13.11 C ATOM 1800 CE1 HIS A 115 -6.678 1.056 -30.527 1.00 11.74 C ATOM 1801 NE2 HIS A 115 -7.562 0.184 -30.977 1.00 13.30 N ATOM 1802 HA HIS A 115 -7.910 2.143 -26.695 1.00 0.00 H ATOM 1803 HB2 HIS A 115 -7.247 -0.251 -26.810 1.00 0.00 H ATOM 1804 HB3 HIS A 115 -8.905 -0.690 -27.282 1.00 0.00 H ATOM 1805 HD2 HIS A 115 -9.055 -1.076 -29.959 1.00 0.00 H ATOM 1806 HE1 HIS A 115 -5.981 1.630 -31.138 1.00 0.00 H ATOM 1807 H HIS A 115 -8.816 0.125 -24.916 1.00 0.00 H ATOM 1808 N GLU A 116 -11.044 1.422 -27.228 1.00 5.91 N ATOM 1809 CA GLU A 116 -12.227 1.875 -27.961 1.00 5.79 C ATOM 1810 C GLU A 116 -13.129 2.792 -27.146 1.00 6.06 C ATOM 1811 O GLU A 116 -14.263 3.063 -27.537 1.00 6.36 O ATOM 1812 CB GLU A 116 -13.054 0.673 -28.423 1.00 6.96 C ATOM 1813 CG GLU A 116 -13.630 -0.167 -27.288 1.00 7.99 C ATOM 1814 CD GLU A 116 -14.643 -1.179 -27.775 1.00 8.56 C ATOM 1815 OE1 GLU A 116 -14.683 -1.434 -28.996 1.00 9.28 O ATOM 1816 OE2 GLU A 116 -15.395 -1.726 -26.939 1.00 7.55 O ATOM 1817 HA GLU A 116 -11.852 2.445 -28.811 1.00 0.00 H ATOM 1818 HB2 GLU A 116 -13.882 1.041 -29.030 1.00 0.00 H ATOM 1819 HB3 GLU A 116 -12.415 0.033 -29.032 1.00 0.00 H ATOM 1820 HG2 GLU A 116 -12.814 -0.697 -26.796 1.00 0.00 H ATOM 1821 HG3 GLU A 116 -14.115 0.497 -26.572 1.00 0.00 H ATOM 1822 H GLU A 116 -11.150 0.707 -26.480 1.00 0.00 H ATOM 1823 N TRP A 117 -12.619 3.258 -26.014 1.00 5.77 N ATOM 1824 CA TRP A 117 -13.355 4.127 -25.102 1.00 5.87 C ATOM 1825 C TRP A 117 -14.180 5.207 -25.787 1.00 5.91 C ATOM 1826 O TRP A 117 -13.691 5.900 -26.674 1.00 7.70 O ATOM 1827 CB TRP A 117 -12.366 4.786 -24.131 1.00 5.36 C ATOM 1828 CG TRP A 117 -12.994 5.636 -23.070 1.00 4.45 C ATOM 1829 CD1 TRP A 117 -13.577 6.861 -23.226 1.00 6.40 C ATOM 1830 CD2 TRP A 117 -13.103 5.312 -21.683 1.00 4.57 C ATOM 1831 NE1 TRP A 117 -14.043 7.321 -22.016 1.00 5.77 N ATOM 1832 CE2 TRP A 117 -13.767 6.387 -21.052 1.00 4.60 C ATOM 1833 CE3 TRP A 117 -12.705 4.214 -20.912 1.00 4.62 C ATOM 1834 CZ2 TRP A 117 -14.041 6.394 -19.678 1.00 5.29 C ATOM 1835 CZ3 TRP A 117 -12.975 4.220 -19.549 1.00 5.51 C ATOM 1836 CH2 TRP A 117 -13.639 5.304 -18.945 1.00 5.29 C ATOM 1837 HA TRP A 117 -14.069 3.488 -24.582 1.00 0.00 H ATOM 1838 HB2 TRP A 117 -11.797 3.997 -23.640 1.00 0.00 H ATOM 1839 HB3 TRP A 117 -11.689 5.413 -24.711 1.00 0.00 H ATOM 1840 HE1 TRP A 117 -14.526 8.229 -21.859 1.00 0.00 H ATOM 1841 HD1 TRP A 117 -13.661 7.396 -24.172 1.00 0.00 H ATOM 1842 HZ2 TRP A 117 -14.554 7.233 -19.208 1.00 0.00 H ATOM 1843 HH2 TRP A 117 -13.838 5.278 -17.874 1.00 0.00 H ATOM 1844 HZ3 TRP A 117 -12.668 3.372 -18.938 1.00 0.00 H ATOM 1845 HE3 TRP A 117 -12.192 3.369 -21.372 1.00 0.00 H ATOM 1846 H TRP A 117 -11.646 2.991 -25.764 1.00 0.00 H ATOM 1847 N LYS A 118 -15.440 5.336 -25.379 1.00 6.84 N ATOM 1848 CA LYS A 118 -16.297 6.379 -25.919 1.00 8.59 C ATOM 1849 C LYS A 118 -17.444 6.687 -24.966 1.00 8.12 C ATOM 1850 O LYS A 118 -18.082 5.783 -24.425 1.00 8.74 O ATOM 1851 CB LYS A 118 -16.847 5.994 -27.297 1.00 12.74 C ATOM 1852 CG LYS A 118 -17.979 4.992 -27.284 1.00 12.76 C ATOM 1853 CD LYS A 118 -18.555 4.827 -28.680 1.00 17.39 C ATOM 1854 CE LYS A 118 -19.735 3.877 -28.674 1.00 15.16 C ATOM 1855 NZ LYS A 118 -20.370 3.779 -30.016 1.00 23.64 N ATOM 1856 HA LYS A 118 -15.686 7.274 -26.034 1.00 0.00 H ATOM 1857 HB2 LYS A 118 -17.206 6.902 -27.782 1.00 0.00 H ATOM 1858 HB3 LYS A 118 -16.029 5.571 -27.880 1.00 0.00 H ATOM 1859 HG2 LYS A 118 -17.604 4.030 -26.934 1.00 0.00 H ATOM 1860 HG3 LYS A 118 -18.762 5.342 -26.611 1.00 0.00 H ATOM 1861 HD2 LYS A 118 -18.882 5.800 -29.048 1.00 0.00 H ATOM 1862 HD3 LYS A 118 -17.783 4.432 -29.340 1.00 0.00 H ATOM 1863 HE2 LYS A 118 -20.475 4.236 -27.958 1.00 0.00 H ATOM 1864 HE3 LYS A 118 -19.391 2.888 -28.373 1.00 0.00 H ATOM 1865 HZ1 LYS A 118 -20.707 4.718 -30.308 1.00 0.00 H ATOM 1866 HZ2 LYS A 118 -19.672 3.430 -30.704 1.00 0.00 H ATOM 1867 HZ3 LYS A 118 -21.173 3.120 -29.971 1.00 0.00 H ATOM 1868 H LYS A 118 -15.817 4.682 -24.664 1.00 0.00 H ATOM 1869 N HIS A 119 -17.679 7.976 -24.755 1.00 7.98 N ATOM 1870 CA HIS A 119 -18.752 8.457 -23.894 1.00 8.03 C ATOM 1871 C HIS A 119 -20.029 8.361 -24.726 1.00 9.31 C ATOM 1872 O HIS A 119 -20.014 8.662 -25.918 1.00 10.12 O ATOM 1873 CB HIS A 119 -18.476 9.916 -23.516 1.00 8.22 C ATOM 1874 CG HIS A 119 -19.490 10.517 -22.592 1.00 7.78 C ATOM 1875 ND1 HIS A 119 -19.600 10.156 -21.267 1.00 7.33 N ATOM 1876 CD2 HIS A 119 -20.426 11.474 -22.799 1.00 11.95 C ATOM 1877 CE1 HIS A 119 -20.560 10.863 -20.698 1.00 8.13 C ATOM 1878 NE2 HIS A 119 -21.077 11.671 -21.606 1.00 11.35 N ATOM 1879 HA HIS A 119 -18.835 7.878 -22.974 1.00 0.00 H ATOM 1880 HB2 HIS A 119 -17.501 9.964 -23.031 1.00 0.00 H ATOM 1881 HB3 HIS A 119 -18.455 10.508 -24.431 1.00 0.00 H ATOM 1882 HD2 HIS A 119 -20.625 11.991 -23.738 1.00 0.00 H ATOM 1883 HE1 HIS A 119 -20.872 10.792 -19.656 1.00 0.00 H ATOM 1884 H HIS A 119 -17.069 8.675 -25.226 1.00 0.00 H ATOM 1885 N PRO A 120 -21.160 7.978 -24.109 1.00 7.16 N ATOM 1886 CA PRO A 120 -21.381 7.627 -22.704 1.00 6.56 C ATOM 1887 C PRO A 120 -21.299 6.140 -22.355 1.00 6.44 C ATOM 1888 O PRO A 120 -21.501 5.769 -21.199 1.00 7.55 O ATOM 1889 CB PRO A 120 -22.776 8.176 -22.453 1.00 8.85 C ATOM 1890 CG PRO A 120 -23.469 7.790 -23.721 1.00 10.69 C ATOM 1891 CD PRO A 120 -22.453 8.130 -24.807 1.00 9.92 C ATOM 1892 HA PRO A 120 -20.590 8.039 -22.077 1.00 0.00 H ATOM 1893 HD3 PRO A 120 -22.530 7.439 -25.646 1.00 0.00 H ATOM 1894 HD2 PRO A 120 -22.588 9.151 -25.165 1.00 0.00 H ATOM 1895 HG3 PRO A 120 -24.386 8.364 -23.853 1.00 0.00 H ATOM 1896 HG2 PRO A 120 -23.704 6.726 -23.727 1.00 0.00 H ATOM 1897 HB2 PRO A 120 -23.240 7.708 -21.585 1.00 0.00 H ATOM 1898 HB3 PRO A 120 -22.762 9.257 -22.318 1.00 0.00 H ATOM 1899 N GLN A 121 -21.020 5.288 -23.339 1.00 5.78 N ATOM 1900 CA GLN A 121 -20.942 3.849 -23.082 1.00 5.28 C ATOM 1901 C GLN A 121 -19.849 3.445 -22.100 1.00 6.24 C ATOM 1902 O GLN A 121 -20.019 2.495 -21.336 1.00 6.02 O ATOM 1903 CB GLN A 121 -20.725 3.070 -24.386 1.00 6.03 C ATOM 1904 CG GLN A 121 -21.984 2.843 -25.210 1.00 5.83 C ATOM 1905 CD GLN A 121 -22.578 4.125 -25.752 1.00 7.67 C ATOM 1906 OE1 GLN A 121 -23.798 4.303 -25.754 1.00 10.65 O ATOM 1907 NE2 GLN A 121 -21.723 5.023 -26.222 1.00 9.17 N ATOM 1908 HA GLN A 121 -21.901 3.599 -22.628 1.00 0.00 H ATOM 1909 HB2 GLN A 121 -20.014 3.624 -24.998 1.00 0.00 H ATOM 1910 HB3 GLN A 121 -20.304 2.097 -24.134 1.00 0.00 H ATOM 1911 HG2 GLN A 121 -21.737 2.193 -26.049 1.00 0.00 H ATOM 1912 HG3 GLN A 121 -22.728 2.355 -24.580 1.00 0.00 H ATOM 1913 HE22 GLN A 121 -20.701 4.830 -26.200 1.00 0.00 H ATOM 1914 HE21 GLN A 121 -22.074 5.921 -26.613 1.00 0.00 H ATOM 1915 H GLN A 121 -20.856 5.649 -24.301 1.00 0.00 H ATOM 1916 N SER A 122 -18.728 4.158 -22.134 1.00 5.90 N ATOM 1917 CA SER A 122 -17.590 3.854 -21.269 1.00 5.32 C ATOM 1918 C SER A 122 -17.485 4.747 -20.038 1.00 4.71 C ATOM 1919 O SER A 122 -17.657 5.963 -20.133 1.00 6.05 O ATOM 1920 CB SER A 122 -16.283 3.995 -22.058 1.00 5.04 C ATOM 1921 OG SER A 122 -16.325 3.325 -23.304 1.00 5.41 O ATOM 1922 HA SER A 122 -17.754 2.833 -20.924 1.00 0.00 H ATOM 1923 HB2 SER A 122 -15.470 3.578 -21.464 1.00 0.00 H ATOM 1924 HB3 SER A 122 -16.095 5.054 -22.237 1.00 0.00 H ATOM 1925 HG SER A 122 -16.487 2.360 -23.153 1.00 0.00 H ATOM 1926 H SER A 122 -18.658 4.957 -22.796 1.00 0.00 H ATOM 1927 N ASP A 123 -17.218 4.145 -18.881 1.00 4.62 N ATOM 1928 CA ASP A 123 -17.008 4.920 -17.663 1.00 5.00 C ATOM 1929 C ASP A 123 -16.021 4.208 -16.744 1.00 4.42 C ATOM 1930 O ASP A 123 -15.618 3.077 -17.016 1.00 5.29 O ATOM 1931 CB ASP A 123 -18.332 5.267 -16.939 1.00 5.99 C ATOM 1932 CG ASP A 123 -19.133 4.054 -16.501 1.00 8.36 C ATOM 1933 OD1 ASP A 123 -18.590 2.937 -16.419 1.00 9.54 O ATOM 1934 OD2 ASP A 123 -20.335 4.243 -16.207 1.00 12.76 O ATOM 1935 HA ASP A 123 -16.573 5.876 -17.954 1.00 0.00 H ATOM 1936 HB2 ASP A 123 -18.095 5.859 -16.055 1.00 0.00 H ATOM 1937 HB3 ASP A 123 -18.948 5.859 -17.616 1.00 0.00 H ATOM 1938 H ASP A 123 -17.158 3.107 -18.845 1.00 0.00 H ATOM 1939 N LEU A 124 -15.602 4.881 -15.677 1.00 5.10 N ATOM 1940 CA LEU A 124 -14.626 4.297 -14.767 1.00 4.60 C ATOM 1941 C LEU A 124 -15.120 3.067 -14.018 1.00 5.19 C ATOM 1942 O LEU A 124 -14.356 2.127 -13.804 1.00 6.13 O ATOM 1943 CB LEU A 124 -14.126 5.360 -13.785 1.00 7.95 C ATOM 1944 CG LEU A 124 -13.337 6.502 -14.437 1.00 5.28 C ATOM 1945 CD1 LEU A 124 -12.960 7.516 -13.373 1.00 8.65 C ATOM 1946 CD2 LEU A 124 -12.088 5.965 -15.118 1.00 10.15 C ATOM 1947 HA LEU A 124 -13.805 3.944 -15.392 1.00 0.00 H ATOM 1948 HB2 LEU A 124 -14.990 5.788 -13.277 1.00 0.00 H ATOM 1949 HB3 LEU A 124 -13.481 4.873 -13.054 1.00 0.00 H ATOM 1950 HG LEU A 124 -13.957 6.982 -15.194 1.00 0.00 H ATOM 1951 HD21 LEU A 124 -11.455 5.474 -14.379 1.00 0.00 H ATOM 1952 HD22 LEU A 124 -12.375 5.248 -15.887 1.00 0.00 H ATOM 1953 HD23 LEU A 124 -11.541 6.790 -15.575 1.00 0.00 H ATOM 1954 HD11 LEU A 124 -13.865 7.911 -12.913 1.00 0.00 H ATOM 1955 HD12 LEU A 124 -12.346 7.032 -12.613 1.00 0.00 H ATOM 1956 HD13 LEU A 124 -12.399 8.330 -13.831 1.00 0.00 H ATOM 1957 H LEU A 124 -15.975 5.834 -15.490 1.00 0.00 H ATOM 1958 N LEU A 125 -16.389 3.059 -13.618 1.00 5.51 N ATOM 1959 CA LEU A 125 -16.915 1.892 -12.919 1.00 6.63 C ATOM 1960 C LEU A 125 -16.850 0.674 -13.840 1.00 5.10 C ATOM 1961 O LEU A 125 -16.480 -0.417 -13.412 1.00 6.37 O ATOM 1962 CB LEU A 125 -18.357 2.130 -12.461 1.00 7.25 C ATOM 1963 CG LEU A 125 -18.550 3.111 -11.300 1.00 8.39 C ATOM 1964 CD1 LEU A 125 -20.025 3.152 -10.917 1.00 12.63 C ATOM 1965 CD2 LEU A 125 -17.708 2.681 -10.105 1.00 14.06 C ATOM 1966 HA LEU A 125 -16.306 1.712 -12.033 1.00 0.00 H ATOM 1967 HB2 LEU A 125 -18.918 2.511 -13.314 1.00 0.00 H ATOM 1968 HB3 LEU A 125 -18.771 1.169 -12.156 1.00 0.00 H ATOM 1969 HG LEU A 125 -18.229 4.106 -11.609 1.00 0.00 H ATOM 1970 HD21 LEU A 125 -18.014 1.684 -9.786 1.00 0.00 H ATOM 1971 HD22 LEU A 125 -16.656 2.666 -10.390 1.00 0.00 H ATOM 1972 HD23 LEU A 125 -17.854 3.386 -9.287 1.00 0.00 H ATOM 1973 HD11 LEU A 125 -20.613 3.480 -11.775 1.00 0.00 H ATOM 1974 HD12 LEU A 125 -20.348 2.156 -10.613 1.00 0.00 H ATOM 1975 HD13 LEU A 125 -20.165 3.849 -10.091 1.00 0.00 H ATOM 1976 H LEU A 125 -17.001 3.879 -13.802 1.00 0.00 H ATOM 1977 N GLY A 126 -17.208 0.874 -15.106 1.00 5.76 N ATOM 1978 CA GLY A 126 -17.160 -0.214 -16.068 1.00 6.04 C ATOM 1979 C GLY A 126 -15.731 -0.685 -16.283 1.00 4.36 C ATOM 1980 O GLY A 126 -15.461 -1.884 -16.362 1.00 5.46 O ATOM 1981 HA3 GLY A 126 -17.569 0.131 -17.018 1.00 0.00 H ATOM 1982 HA2 GLY A 126 -17.758 -1.046 -15.696 1.00 0.00 H ATOM 1983 H GLY A 126 -17.525 1.817 -15.409 1.00 0.00 H ATOM 1984 N LEU A 127 -14.812 0.272 -16.367 1.00 4.41 N ATOM 1985 CA LEU A 127 -13.397 -0.026 -16.559 1.00 5.96 C ATOM 1986 C LEU A 127 -12.840 -0.872 -15.417 1.00 4.73 C ATOM 1987 O LEU A 127 -12.150 -1.869 -15.643 1.00 5.50 O ATOM 1988 CB LEU A 127 -12.598 1.273 -16.644 1.00 5.09 C ATOM 1989 CG LEU A 127 -11.076 1.102 -16.630 1.00 4.09 C ATOM 1990 CD1 LEU A 127 -10.618 0.371 -17.891 1.00 6.87 C ATOM 1991 CD2 LEU A 127 -10.422 2.468 -16.552 1.00 5.92 C ATOM 1992 HA LEU A 127 -13.305 -0.590 -17.487 1.00 0.00 H ATOM 1993 HB2 LEU A 127 -12.873 1.779 -17.570 1.00 0.00 H ATOM 1994 HB3 LEU A 127 -12.876 1.897 -15.794 1.00 0.00 H ATOM 1995 HG LEU A 127 -10.785 0.510 -15.762 1.00 0.00 H ATOM 1996 HD21 LEU A 127 -10.716 3.060 -17.418 1.00 0.00 H ATOM 1997 HD22 LEU A 127 -10.743 2.971 -15.640 1.00 0.00 H ATOM 1998 HD23 LEU A 127 -9.338 2.351 -16.542 1.00 0.00 H ATOM 1999 HD11 LEU A 127 -11.089 -0.611 -17.931 1.00 0.00 H ATOM 2000 HD12 LEU A 127 -10.906 0.949 -18.769 1.00 0.00 H ATOM 2001 HD13 LEU A 127 -9.534 0.256 -17.869 1.00 0.00 H ATOM 2002 H LEU A 127 -15.112 1.265 -16.293 1.00 0.00 H ATOM 2003 N ILE A 128 -13.127 -0.466 -14.184 1.00 4.36 N ATOM 2004 CA ILE A 128 -12.632 -1.199 -13.027 1.00 5.61 C ATOM 2005 C ILE A 128 -13.248 -2.597 -12.953 1.00 6.38 C ATOM 2006 O ILE A 128 -12.589 -3.549 -12.534 1.00 7.09 O ATOM 2007 CB ILE A 128 -12.889 -0.399 -11.731 1.00 6.14 C ATOM 2008 CG1 ILE A 128 -12.070 0.894 -11.773 1.00 7.24 C ATOM 2009 CG2 ILE A 128 -12.488 -1.214 -10.513 1.00 7.12 C ATOM 2010 CD1 ILE A 128 -12.453 1.910 -10.714 1.00 8.32 C ATOM 2011 HA ILE A 128 -11.555 -1.326 -13.137 1.00 0.00 H ATOM 2012 HB ILE A 128 -13.952 -0.168 -11.660 1.00 0.00 H ATOM 2013 HG12 ILE A 128 -11.019 0.638 -11.636 1.00 0.00 H ATOM 2014 HG13 ILE A 128 -12.206 1.353 -12.752 1.00 0.00 H ATOM 2015 HD11 ILE A 128 -13.499 2.190 -10.842 1.00 0.00 H ATOM 2016 HD12 ILE A 128 -12.311 1.474 -9.725 1.00 0.00 H ATOM 2017 HD13 ILE A 128 -11.824 2.794 -10.816 1.00 0.00 H ATOM 2018 HG21 ILE A 128 -13.073 -2.133 -10.484 1.00 0.00 H ATOM 2019 HG22 ILE A 128 -11.428 -1.458 -10.574 1.00 0.00 H ATOM 2020 HG23 ILE A 128 -12.677 -0.633 -9.610 1.00 0.00 H ATOM 2021 H ILE A 128 -13.711 0.383 -14.044 1.00 0.00 H ATOM 2022 N GLN A 129 -14.501 -2.725 -13.379 1.00 7.63 N ATOM 2023 CA GLN A 129 -15.163 -4.027 -13.383 1.00 10.39 C ATOM 2024 C GLN A 129 -14.378 -4.940 -14.331 1.00 8.44 C ATOM 2025 O GLN A 129 -14.125 -6.109 -14.031 1.00 9.20 O ATOM 2026 CB GLN A 129 -16.612 -3.867 -13.853 1.00 12.00 C ATOM 2027 CG GLN A 129 -17.421 -5.154 -13.924 1.00 19.57 C ATOM 2028 CD GLN A 129 -18.877 -4.896 -14.278 1.00 25.82 C ATOM 2029 OE1 GLN A 129 -19.179 -4.218 -15.263 1.00 33.29 O ATOM 2030 NE2 GLN A 129 -19.787 -5.439 -13.477 1.00 30.60 N ATOM 2031 HA GLN A 129 -15.184 -4.461 -12.383 1.00 0.00 H ATOM 2032 HB2 GLN A 129 -17.117 -3.190 -13.164 1.00 0.00 H ATOM 2033 HB3 GLN A 129 -16.596 -3.424 -14.849 1.00 0.00 H ATOM 2034 HG2 GLN A 129 -16.984 -5.803 -14.683 1.00 0.00 H ATOM 2035 HG3 GLN A 129 -17.377 -5.651 -12.955 1.00 0.00 H ATOM 2036 HE22 GLN A 129 -19.487 -6.004 -12.657 1.00 0.00 H ATOM 2037 HE21 GLN A 129 -20.799 -5.299 -13.670 1.00 0.00 H ATOM 2038 H GLN A 129 -15.017 -1.886 -13.714 1.00 0.00 H ATOM 2039 N VAL A 130 -13.987 -4.393 -15.477 1.00 5.86 N ATOM 2040 CA VAL A 130 -13.205 -5.144 -16.457 1.00 7.55 C ATOM 2041 C VAL A 130 -11.856 -5.537 -15.858 1.00 7.84 C ATOM 2042 O VAL A 130 -11.421 -6.681 -15.981 1.00 7.20 O ATOM 2043 CB VAL A 130 -12.971 -4.305 -17.739 1.00 6.91 C ATOM 2044 CG1 VAL A 130 -11.859 -4.919 -18.587 1.00 6.53 C ATOM 2045 CG2 VAL A 130 -14.260 -4.235 -18.543 1.00 9.20 C ATOM 2046 HA VAL A 130 -13.766 -6.040 -16.722 1.00 0.00 H ATOM 2047 HB VAL A 130 -12.668 -3.298 -17.451 1.00 0.00 H ATOM 2048 HG11 VAL A 130 -10.936 -4.946 -18.008 1.00 0.00 H ATOM 2049 HG12 VAL A 130 -12.140 -5.932 -18.874 1.00 0.00 H ATOM 2050 HG13 VAL A 130 -11.711 -4.315 -19.482 1.00 0.00 H ATOM 2051 HG21 VAL A 130 -14.569 -5.243 -18.820 1.00 0.00 H ATOM 2052 HG22 VAL A 130 -15.038 -3.767 -17.940 1.00 0.00 H ATOM 2053 HG23 VAL A 130 -14.093 -3.645 -19.444 1.00 0.00 H ATOM 2054 H VAL A 130 -14.244 -3.406 -15.682 1.00 0.00 H ATOM 2055 N MET A 131 -11.193 -4.587 -15.206 1.00 6.40 N ATOM 2056 CA MET A 131 -9.903 -4.870 -14.588 1.00 6.20 C ATOM 2057 C MET A 131 -9.988 -6.019 -13.589 1.00 8.04 C ATOM 2058 O MET A 131 -9.099 -6.864 -13.534 1.00 8.30 O ATOM 2059 CB MET A 131 -9.362 -3.631 -13.872 1.00 7.74 C ATOM 2060 CG MET A 131 -8.884 -2.535 -14.796 1.00 6.05 C ATOM 2061 SD MET A 131 -8.245 -1.140 -13.862 1.00 9.80 S ATOM 2062 CE MET A 131 -7.643 -0.095 -15.181 1.00 9.75 C ATOM 2063 HA MET A 131 -9.227 -5.158 -15.393 1.00 0.00 H ATOM 2064 HB2 MET A 131 -10.156 -3.226 -13.244 1.00 0.00 H ATOM 2065 HB3 MET A 131 -8.525 -3.938 -13.245 1.00 0.00 H ATOM 2066 HG2 MET A 131 -9.718 -2.200 -15.413 1.00 0.00 H ATOM 2067 HG3 MET A 131 -8.094 -2.927 -15.437 1.00 0.00 H ATOM 2068 HE1 MET A 131 -6.878 -0.629 -15.745 1.00 0.00 H ATOM 2069 HE2 MET A 131 -8.469 0.165 -15.843 1.00 0.00 H ATOM 2070 HE3 MET A 131 -7.216 0.814 -14.757 1.00 0.00 H ATOM 2071 H MET A 131 -11.599 -3.632 -15.136 1.00 0.00 H ATOM 2072 N ILE A 132 -11.052 -6.043 -12.793 1.00 7.80 N ATOM 2073 CA ILE A 132 -11.220 -7.091 -11.795 1.00 9.09 C ATOM 2074 C ILE A 132 -11.317 -8.464 -12.458 1.00 7.54 C ATOM 2075 O ILE A 132 -10.727 -9.434 -11.977 1.00 10.12 O ATOM 2076 CB ILE A 132 -12.466 -6.813 -10.921 1.00 10.18 C ATOM 2077 CG1 ILE A 132 -12.230 -5.543 -10.094 1.00 11.17 C ATOM 2078 CG2 ILE A 132 -12.756 -8.003 -10.012 1.00 9.56 C ATOM 2079 CD1 ILE A 132 -13.421 -5.094 -9.265 1.00 11.01 C ATOM 2080 HA ILE A 132 -10.342 -7.091 -11.149 1.00 0.00 H ATOM 2081 HB ILE A 132 -13.333 -6.664 -11.564 1.00 0.00 H ATOM 2082 HG12 ILE A 132 -11.396 -5.728 -9.417 1.00 0.00 H ATOM 2083 HG13 ILE A 132 -11.969 -4.736 -10.778 1.00 0.00 H ATOM 2084 HD11 ILE A 132 -14.264 -4.889 -9.924 1.00 0.00 H ATOM 2085 HD12 ILE A 132 -13.691 -5.882 -8.562 1.00 0.00 H ATOM 2086 HD13 ILE A 132 -13.159 -4.190 -8.716 1.00 0.00 H ATOM 2087 HG21 ILE A 132 -12.940 -8.888 -10.621 1.00 0.00 H ATOM 2088 HG22 ILE A 132 -11.899 -8.180 -9.362 1.00 0.00 H ATOM 2089 HG23 ILE A 132 -13.636 -7.789 -9.405 1.00 0.00 H ATOM 2090 H ILE A 132 -11.776 -5.302 -12.884 1.00 0.00 H ATOM 2091 N VAL A 133 -12.036 -8.544 -13.574 1.00 8.02 N ATOM 2092 CA VAL A 133 -12.184 -9.804 -14.291 1.00 11.21 C ATOM 2093 C VAL A 133 -10.874 -10.189 -14.974 1.00 11.71 C ATOM 2094 O VAL A 133 -10.378 -11.303 -14.809 1.00 11.49 O ATOM 2095 CB VAL A 133 -13.296 -9.711 -15.364 1.00 8.99 C ATOM 2096 CG1 VAL A 133 -13.314 -10.980 -16.211 1.00 10.71 C ATOM 2097 CG2 VAL A 133 -14.646 -9.510 -14.696 1.00 14.58 C ATOM 2098 HA VAL A 133 -12.457 -10.564 -13.558 1.00 0.00 H ATOM 2099 HB VAL A 133 -13.092 -8.859 -16.012 1.00 0.00 H ATOM 2100 HG11 VAL A 133 -12.349 -11.100 -16.704 1.00 0.00 H ATOM 2101 HG12 VAL A 133 -13.505 -11.841 -15.570 1.00 0.00 H ATOM 2102 HG13 VAL A 133 -14.100 -10.903 -16.962 1.00 0.00 H ATOM 2103 HG21 VAL A 133 -14.853 -10.353 -14.036 1.00 0.00 H ATOM 2104 HG22 VAL A 133 -14.629 -8.588 -14.115 1.00 0.00 H ATOM 2105 HG23 VAL A 133 -15.422 -9.446 -15.459 1.00 0.00 H ATOM 2106 H VAL A 133 -12.502 -7.690 -13.942 1.00 0.00 H ATOM 2107 N VAL A 134 -10.306 -9.255 -15.726 1.00 8.47 N ATOM 2108 CA VAL A 134 -9.068 -9.505 -16.450 1.00 9.56 C ATOM 2109 C VAL A 134 -7.881 -9.812 -15.535 1.00 9.41 C ATOM 2110 O VAL A 134 -7.135 -10.763 -15.781 1.00 11.89 O ATOM 2111 CB VAL A 134 -8.735 -8.311 -17.375 1.00 10.05 C ATOM 2112 CG1 VAL A 134 -7.388 -8.514 -18.040 1.00 11.60 C ATOM 2113 CG2 VAL A 134 -9.820 -8.166 -18.430 1.00 12.27 C ATOM 2114 HA VAL A 134 -9.238 -10.400 -17.049 1.00 0.00 H ATOM 2115 HB VAL A 134 -8.690 -7.402 -16.775 1.00 0.00 H ATOM 2116 HG11 VAL A 134 -6.616 -8.597 -17.275 1.00 0.00 H ATOM 2117 HG12 VAL A 134 -7.412 -9.427 -18.634 1.00 0.00 H ATOM 2118 HG13 VAL A 134 -7.172 -7.664 -18.687 1.00 0.00 H ATOM 2119 HG21 VAL A 134 -9.874 -9.080 -19.022 1.00 0.00 H ATOM 2120 HG22 VAL A 134 -10.779 -7.991 -17.942 1.00 0.00 H ATOM 2121 HG23 VAL A 134 -9.583 -7.324 -19.080 1.00 0.00 H ATOM 2122 H VAL A 134 -10.757 -8.321 -15.800 1.00 0.00 H ATOM 2123 N PHE A 135 -7.703 -9.022 -14.479 1.00 9.43 N ATOM 2124 CA PHE A 135 -6.597 -9.248 -13.552 1.00 9.23 C ATOM 2125 C PHE A 135 -6.836 -10.484 -12.686 1.00 8.85 C ATOM 2126 O PHE A 135 -5.891 -11.080 -12.167 1.00 9.76 O ATOM 2127 CB PHE A 135 -6.370 -8.020 -12.656 1.00 10.04 C ATOM 2128 CG PHE A 135 -5.884 -6.799 -13.397 1.00 10.46 C ATOM 2129 CD1 PHE A 135 -5.169 -6.920 -14.584 1.00 12.37 C ATOM 2130 CD2 PHE A 135 -6.113 -5.525 -12.882 1.00 10.90 C ATOM 2131 CE1 PHE A 135 -4.689 -5.790 -15.249 1.00 12.43 C ATOM 2132 CE2 PHE A 135 -5.638 -4.389 -13.537 1.00 8.79 C ATOM 2133 CZ PHE A 135 -4.925 -4.524 -14.722 1.00 11.16 C ATOM 2134 HA PHE A 135 -5.703 -9.417 -14.153 1.00 0.00 H ATOM 2135 HB2 PHE A 135 -7.313 -7.772 -12.169 1.00 0.00 H ATOM 2136 HB3 PHE A 135 -5.629 -8.280 -11.900 1.00 0.00 H ATOM 2137 HD2 PHE A 135 -6.672 -5.414 -11.953 1.00 0.00 H ATOM 2138 HE2 PHE A 135 -5.825 -3.399 -13.121 1.00 0.00 H ATOM 2139 HZ PHE A 135 -4.551 -3.640 -15.238 1.00 0.00 H ATOM 2140 HE1 PHE A 135 -4.131 -5.899 -16.179 1.00 0.00 H ATOM 2141 HD1 PHE A 135 -4.981 -7.910 -15.000 1.00 0.00 H ATOM 2142 H PHE A 135 -8.360 -8.233 -14.312 1.00 0.00 H ATOM 2143 N GLY A 136 -8.103 -10.860 -12.527 1.00 9.99 N ATOM 2144 CA GLY A 136 -8.424 -12.040 -11.744 1.00 12.01 C ATOM 2145 C GLY A 136 -8.008 -13.273 -12.521 1.00 13.83 C ATOM 2146 O GLY A 136 -7.716 -14.323 -11.947 1.00 16.88 O ATOM 2147 HA3 GLY A 136 -9.497 -12.072 -11.553 1.00 0.00 H ATOM 2148 HA2 GLY A 136 -7.888 -12.007 -10.795 1.00 0.00 H ATOM 2149 H GLY A 136 -8.866 -10.306 -12.965 1.00 0.00 H ATOM 2150 N ASP A 137 -7.980 -13.138 -13.844 1.00 12.38 N ATOM 2151 CA ASP A 137 -7.588 -14.228 -14.726 1.00 11.82 C ATOM 2152 C ASP A 137 -6.074 -14.213 -14.927 1.00 12.40 C ATOM 2153 O ASP A 137 -5.428 -15.261 -14.954 1.00 13.93 O ATOM 2154 CB ASP A 137 -8.299 -14.085 -16.073 1.00 14.41 C ATOM 2155 CG ASP A 137 -7.870 -15.136 -17.069 1.00 13.51 C ATOM 2156 OD1 ASP A 137 -7.274 -14.769 -18.102 1.00 16.18 O ATOM 2157 OD2 ASP A 137 -8.130 -16.330 -16.819 1.00 14.99 O ATOM 2158 HA ASP A 137 -7.875 -15.177 -14.273 1.00 0.00 H ATOM 2159 HB2 ASP A 137 -9.373 -14.173 -15.912 1.00 0.00 H ATOM 2160 HB3 ASP A 137 -8.074 -13.101 -16.484 1.00 0.00 H ATOM 2161 H ASP A 137 -8.247 -12.224 -14.262 1.00 0.00 H ATOM 2162 N GLU A 138 -5.515 -13.014 -15.067 1.00 10.95 N ATOM 2163 CA GLU A 138 -4.081 -12.840 -15.253 1.00 12.75 C ATOM 2164 C GLU A 138 -3.587 -11.659 -14.423 1.00 14.37 C ATOM 2165 O GLU A 138 -3.650 -10.511 -14.860 1.00 13.72 O ATOM 2166 CB GLU A 138 -3.751 -12.597 -16.729 1.00 17.13 C ATOM 2167 CG GLU A 138 -4.003 -13.793 -17.632 1.00 23.45 C ATOM 2168 CD GLU A 138 -3.534 -13.559 -19.057 1.00 28.14 C ATOM 2169 OE1 GLU A 138 -3.682 -14.479 -19.890 1.00 32.35 O ATOM 2170 OE2 GLU A 138 -3.019 -12.458 -19.345 1.00 31.75 O ATOM 2171 HA GLU A 138 -3.582 -13.752 -14.926 1.00 0.00 H ATOM 2172 HB2 GLU A 138 -4.362 -11.767 -17.083 1.00 0.00 H ATOM 2173 HB3 GLU A 138 -2.697 -12.329 -16.804 1.00 0.00 H ATOM 2174 HG2 GLU A 138 -3.472 -14.655 -17.227 1.00 0.00 H ATOM 2175 HG3 GLU A 138 -5.073 -14.001 -17.646 1.00 0.00 H ATOM 2176 H GLU A 138 -6.124 -12.171 -15.043 1.00 0.00 H ATOM 2177 N PRO A 139 -3.098 -11.926 -13.203 1.00 12.17 N ATOM 2178 CA PRO A 139 -2.595 -10.865 -12.323 1.00 10.81 C ATOM 2179 C PRO A 139 -1.498 -10.046 -13.005 1.00 11.03 C ATOM 2180 O PRO A 139 -0.616 -10.603 -13.658 1.00 12.44 O ATOM 2181 CB PRO A 139 -2.074 -11.641 -11.117 1.00 13.43 C ATOM 2182 CG PRO A 139 -3.001 -12.815 -11.059 1.00 13.21 C ATOM 2183 CD PRO A 139 -3.090 -13.227 -12.510 1.00 14.88 C ATOM 2184 HA PRO A 139 -3.352 -10.129 -12.053 1.00 0.00 H ATOM 2185 HD3 PRO A 139 -2.229 -13.827 -12.804 1.00 0.00 H ATOM 2186 HD2 PRO A 139 -4.005 -13.786 -12.707 1.00 0.00 H ATOM 2187 HG3 PRO A 139 -3.978 -12.528 -10.669 1.00 0.00 H ATOM 2188 HG2 PRO A 139 -2.587 -13.615 -10.446 1.00 0.00 H ATOM 2189 HB2 PRO A 139 -1.043 -11.960 -11.270 1.00 0.00 H ATOM 2190 HB3 PRO A 139 -2.137 -11.044 -10.207 1.00 0.00 H ATOM 2191 N PRO A 140 -1.549 -8.709 -12.869 1.00 10.38 N ATOM 2192 CA PRO A 140 -0.564 -7.803 -13.470 1.00 10.13 C ATOM 2193 C PRO A 140 0.698 -7.632 -12.628 1.00 11.35 C ATOM 2194 O PRO A 140 1.674 -7.018 -13.064 1.00 10.02 O ATOM 2195 CB PRO A 140 -1.346 -6.507 -13.617 1.00 9.81 C ATOM 2196 CG PRO A 140 -2.183 -6.512 -12.382 1.00 10.96 C ATOM 2197 CD PRO A 140 -2.683 -7.946 -12.313 1.00 11.38 C ATOM 2198 HA PRO A 140 -0.172 -8.182 -14.414 1.00 0.00 H ATOM 2199 HD3 PRO A 140 -2.890 -8.242 -11.285 1.00 0.00 H ATOM 2200 HD2 PRO A 140 -3.581 -8.079 -12.916 1.00 0.00 H ATOM 2201 HG3 PRO A 140 -3.013 -5.811 -12.468 1.00 0.00 H ATOM 2202 HG2 PRO A 140 -1.588 -6.262 -11.504 1.00 0.00 H ATOM 2203 HB2 PRO A 140 -0.682 -5.643 -13.643 1.00 0.00 H ATOM 2204 HB3 PRO A 140 -1.964 -6.516 -14.515 1.00 0.00 H ATOM 2205 N VAL A 141 0.661 -8.171 -11.415 1.00 11.71 N ATOM 2206 CA VAL A 141 1.792 -8.115 -10.501 1.00 13.16 C ATOM 2207 C VAL A 141 1.831 -9.385 -9.665 1.00 12.32 C ATOM 2208 O VAL A 141 0.800 -10.014 -9.430 1.00 14.08 O ATOM 2209 CB VAL A 141 1.712 -6.908 -9.540 1.00 14.35 C ATOM 2210 CG1 VAL A 141 2.094 -5.637 -10.271 1.00 16.11 C ATOM 2211 CG2 VAL A 141 0.316 -6.797 -8.957 1.00 14.29 C ATOM 2212 HA VAL A 141 2.691 -8.012 -11.109 1.00 0.00 H ATOM 2213 HB VAL A 141 2.414 -7.057 -8.720 1.00 0.00 H ATOM 2214 HG11 VAL A 141 3.112 -5.729 -10.649 1.00 0.00 H ATOM 2215 HG12 VAL A 141 1.409 -5.479 -11.104 1.00 0.00 H ATOM 2216 HG13 VAL A 141 2.034 -4.793 -9.584 1.00 0.00 H ATOM 2217 HG21 VAL A 141 -0.404 -6.661 -9.764 1.00 0.00 H ATOM 2218 HG22 VAL A 141 0.079 -7.708 -8.408 1.00 0.00 H ATOM 2219 HG23 VAL A 141 0.273 -5.943 -8.281 1.00 0.00 H ATOM 2220 H VAL A 141 -0.209 -8.651 -11.107 1.00 0.00 H ATOM 2221 N PHE A 142 3.031 -9.755 -9.235 1.00 13.68 N ATOM 2222 CA PHE A 142 3.237 -10.943 -8.414 1.00 15.58 C ATOM 2223 C PHE A 142 4.236 -10.619 -7.314 1.00 20.45 C ATOM 2224 O PHE A 142 5.102 -9.762 -7.485 1.00 17.48 O ATOM 2225 CB PHE A 142 3.771 -12.097 -9.271 1.00 16.15 C ATOM 2226 CG PHE A 142 2.724 -12.751 -10.130 1.00 17.96 C ATOM 2227 CD1 PHE A 142 1.808 -13.639 -9.576 1.00 20.28 C ATOM 2228 CD2 PHE A 142 2.646 -12.471 -11.490 1.00 16.61 C ATOM 2229 CE1 PHE A 142 0.828 -14.242 -10.365 1.00 20.99 C ATOM 2230 CE2 PHE A 142 1.670 -13.066 -12.288 1.00 19.02 C ATOM 2231 CZ PHE A 142 0.758 -13.954 -11.725 1.00 19.89 C ATOM 2232 HA PHE A 142 2.286 -11.246 -7.975 1.00 0.00 H ATOM 2233 HB2 PHE A 142 4.555 -11.708 -9.921 1.00 0.00 H ATOM 2234 HB3 PHE A 142 4.192 -12.852 -8.607 1.00 0.00 H ATOM 2235 HD2 PHE A 142 3.357 -11.777 -11.938 1.00 0.00 H ATOM 2236 HE2 PHE A 142 1.621 -12.836 -13.352 1.00 0.00 H ATOM 2237 HZ PHE A 142 -0.007 -14.421 -12.346 1.00 0.00 H ATOM 2238 HE1 PHE A 142 0.118 -14.938 -9.917 1.00 0.00 H ATOM 2239 HD1 PHE A 142 1.856 -13.867 -8.511 1.00 0.00 H ATOM 2240 H PHE A 142 3.855 -9.176 -9.493 1.00 0.00 H ATOM 2241 N SER A 143 4.106 -11.301 -6.181 1.00 23.68 N ATOM 2242 CA SER A 143 5.011 -11.087 -5.059 1.00 29.31 C ATOM 2243 C SER A 143 6.386 -11.650 -5.392 1.00 33.00 C ATOM 2244 O SER A 143 6.506 -12.591 -6.175 1.00 33.76 O ATOM 2245 CB SER A 143 4.469 -11.769 -3.800 1.00 28.04 C ATOM 2246 OG SER A 143 3.236 -11.198 -3.401 1.00 34.32 O ATOM 2247 HA SER A 143 5.091 -10.016 -4.874 1.00 0.00 H ATOM 2248 HB2 SER A 143 5.193 -11.654 -2.993 1.00 0.00 H ATOM 2249 HB3 SER A 143 4.321 -12.829 -4.005 1.00 0.00 H ATOM 2250 HG SER A 143 2.909 -11.657 -2.587 1.00 0.00 H ATOM 2251 H SER A 143 3.343 -12.002 -6.093 1.00 0.00 H ATOM 2252 N ARG A 144 7.421 -11.065 -4.798 1.00 39.07 N ATOM 2253 CA ARG A 144 8.789 -11.512 -5.029 1.00 45.68 C ATOM 2254 C ARG A 144 9.003 -12.884 -4.396 1.00 49.14 C ATOM 2255 O ARG A 144 8.843 -13.050 -3.186 1.00 50.49 O ATOM 2256 CB ARG A 144 9.779 -10.512 -4.429 1.00 47.85 C ATOM 2257 CG ARG A 144 9.683 -9.112 -5.013 1.00 51.53 C ATOM 2258 CD ARG A 144 10.616 -8.156 -4.287 1.00 55.32 C ATOM 2259 NE ARG A 144 10.552 -6.801 -4.829 1.00 58.25 N ATOM 2260 CZ ARG A 144 10.941 -6.464 -6.054 1.00 58.94 C ATOM 2261 NH1 ARG A 144 11.428 -7.383 -6.876 1.00 59.42 N ATOM 2262 NH2 ARG A 144 10.845 -5.204 -6.458 1.00 59.36 N ATOM 2263 HA ARG A 144 8.957 -11.580 -6.104 1.00 0.00 H ATOM 2264 HB2 ARG A 144 9.594 -10.449 -3.357 1.00 0.00 H ATOM 2265 HB3 ARG A 144 10.789 -10.886 -4.600 1.00 0.00 H ATOM 2266 HG2 ARG A 144 9.956 -9.145 -6.068 1.00 0.00 H ATOM 2267 HG3 ARG A 144 8.658 -8.754 -4.915 1.00 0.00 H ATOM 2268 HD2 ARG A 144 11.638 -8.524 -4.381 1.00 0.00 H ATOM 2269 HD3 ARG A 144 10.338 -8.126 -3.234 1.00 0.00 H ATOM 2270 HE ARG A 144 10.177 -6.050 -4.215 1.00 0.00 H ATOM 2271 HH12 ARG A 144 11.731 -7.115 -7.834 1.00 0.00 H ATOM 2272 HH11 ARG A 144 11.507 -8.372 -6.563 1.00 0.00 H ATOM 2273 HH22 ARG A 144 11.150 -4.941 -7.417 1.00 0.00 H ATOM 2274 HH21 ARG A 144 10.465 -4.480 -5.816 1.00 0.00 H ATOM 2275 H ARG A 144 7.251 -10.268 -4.152 1.00 0.00 H ATOM 2276 N PRO A 145 9.369 -13.887 -5.208 1.00 51.19 N ATOM 2277 CA PRO A 145 9.602 -15.246 -4.709 1.00 52.95 C ATOM 2278 C PRO A 145 10.837 -15.344 -3.815 1.00 53.86 C ATOM 2279 O PRO A 145 11.498 -14.304 -3.608 1.00 54.58 O ATOM 2280 CB PRO A 145 9.747 -16.058 -5.992 1.00 52.93 C ATOM 2281 CG PRO A 145 10.399 -15.082 -6.918 1.00 52.32 C ATOM 2282 CD PRO A 145 9.607 -13.818 -6.661 1.00 52.15 C ATOM 2283 HA PRO A 145 8.798 -15.603 -4.065 1.00 0.00 H ATOM 2284 HD3 PRO A 145 10.182 -12.931 -6.926 1.00 0.00 H ATOM 2285 HD2 PRO A 145 8.669 -13.820 -7.216 1.00 0.00 H ATOM 2286 HG3 PRO A 145 10.309 -15.401 -7.956 1.00 0.00 H ATOM 2287 HG2 PRO A 145 11.452 -14.946 -6.671 1.00 0.00 H ATOM 2288 HB2 PRO A 145 10.376 -16.934 -5.835 1.00 0.00 H ATOM 2289 HB3 PRO A 145 8.775 -16.373 -6.371 1.00 0.00 H ATOM 2290 OXT PRO A 145 11.126 -16.459 -3.333 1.00 54.28 O TER 2291 PRO A 145 HETATM 2292 O HOH 1 9.220 -4.158 -15.894 1.00 17.53 O HETATM 2293 O HOH 2 -17.300 24.643 -13.640 1.00 16.38 O HETATM 2294 O HOH 3 6.586 -11.301 -18.193 1.00 19.66 O HETATM 2295 O HOH 4 -7.867 -1.838 0.827 1.00 38.80 O HETATM 2296 O HOH 5 -20.024 13.104 -2.649 1.00 34.61 O HETATM 2297 O HOH 6 -8.968 10.670 -19.569 1.00 5.28 O HETATM 2298 O HOH 7 3.850 -8.368 -2.882 1.00 43.40 O HETATM 2299 O HOH 8 -21.961 10.592 -16.076 1.00 37.57 O HETATM 2300 O HOH 9 -17.390 9.225 -1.086 1.00 33.53 O HETATM 2301 O HOH 10 -1.755 9.347 -17.433 1.00 64.43 O HETATM 2302 O HOH 11 -2.444 -21.314 -8.725 1.00 34.36 O HETATM 2303 O HOH 12 -8.044 -16.869 -24.503 1.00 29.24 O HETATM 2304 O HOH 13 -2.503 -20.257 -11.181 1.00 26.32 O HETATM 2305 O HOH 14 -4.747 3.429 -0.643 1.00 42.91 O HETATM 2306 O HOH 15 -20.035 23.819 -6.291 1.00 55.81 O HETATM 2307 O HOH 16 -5.605 -11.872 -20.750 1.00 48.06 O HETATM 2308 O HOH 17 -0.800 9.671 -20.792 1.00 58.81 O HETATM 2309 O HOH 18 -9.258 -6.103 0.608 1.00 35.38 O HETATM 2310 O HOH 19 -5.741 -19.569 -4.139 1.00 42.71 O HETATM 2311 O HOH 20 -19.199 -4.461 -10.850 1.00 35.17 O HETATM 2312 O HOH 21 -12.756 16.958 -18.365 1.00 6.40 O HETATM 2313 O HOH 22 -15.383 -1.558 -24.250 1.00 6.93 O HETATM 2314 O HOH 23 -7.382 -11.606 -27.160 1.00 34.30 O HETATM 2315 O HOH 24 -15.415 23.285 -20.780 1.00 7.61 O HETATM 2316 O HOH 25 5.417 22.955 -19.592 1.00 8.69 O HETATM 2317 O HOH 26 -23.195 19.736 -7.608 1.00 41.24 O HETATM 2318 O HOH 27 -15.139 24.159 -4.735 1.00 46.37 O HETATM 2319 O HOH 28 -24.970 5.135 -21.980 1.00 30.25 O HETATM 2320 O HOH 29 -18.776 8.299 -19.361 1.00 7.86 O HETATM 2321 O HOH 30 -14.969 1.129 -23.884 1.00 6.29 O HETATM 2322 O HOH 31 -3.735 2.966 -19.926 1.00 8.13 O HETATM 2323 O HOH 32 4.278 -15.537 -12.602 1.00 34.18 O HETATM 2324 O HOH 33 -9.173 3.612 -33.211 1.00 54.18 O HETATM 2325 O HOH 34 -17.821 8.904 -16.824 1.00 8.97 O HETATM 2326 O HOH 35 -1.162 -16.526 -3.861 1.00 23.87 O HETATM 2327 O HOH 36 -14.025 -4.047 -24.145 1.00 8.69 O HETATM 2328 O HOH 37 -10.171 14.232 -28.138 1.00 33.12 O HETATM 2329 O HOH 38 -9.144 -17.646 -14.269 1.00 28.75 O HETATM 2330 O HOH 39 8.978 19.168 -12.181 1.00 37.64 O HETATM 2331 O HOH 40 3.211 -0.220 -26.483 1.00 32.98 O HETATM 2332 O HOH 41 5.328 25.235 -20.905 1.00 62.49 O HETATM 2333 O HOH 42 -2.448 19.736 -16.922 1.00 9.98 O HETATM 2334 O HOH 43 2.180 9.820 -9.159 1.00 36.11 O HETATM 2335 O HOH 44 -19.396 16.413 -1.015 1.00 34.40 O HETATM 2336 O HOH 45 -8.116 -10.969 -21.326 1.00 30.05 O HETATM 2337 O HOH 46 -0.177 10.740 -7.610 1.00 22.93 O HETATM 2338 O HOH 47 -2.950 1.669 -23.047 1.00 10.07 O HETATM 2339 O HOH 48 -10.552 -19.251 -0.199 1.00 36.54 O HETATM 2340 O HOH 49 -21.986 22.891 -9.036 1.00 44.88 O HETATM 2341 O HOH 50 -8.422 9.244 -11.533 1.00 53.65 O HETATM 2342 O HOH 51 -19.153 18.083 -17.119 1.00 9.19 O HETATM 2343 O HOH 52 -4.832 -16.265 1.360 1.00 44.78 O HETATM 2344 O HOH 53 -23.915 14.984 -3.359 1.00 41.90 O HETATM 2345 O HOH 54 -11.805 -16.269 -7.779 1.00 30.70 O HETATM 2346 O HOH 55 6.560 -13.918 -0.927 1.00 42.28 O HETATM 2347 O HOH 56 -10.711 0.020 -3.399 1.00 11.62 O HETATM 2348 O HOH 57 -7.589 21.368 -13.327 1.00 9.63 O HETATM 2349 O HOH 58 -5.998 -13.703 0.967 1.00 49.62 O HETATM 2350 O HOH 59 2.897 -4.472 -0.651 1.00 26.67 O HETATM 2351 O HOH 60 -22.613 6.450 -28.655 1.00 37.38 O HETATM 2352 O HOH 61 10.678 -10.815 -9.739 1.00 52.16 O HETATM 2353 O HOH 62 0.466 24.532 -16.417 1.00 35.64 O HETATM 2354 O HOH 63 -12.407 5.460 2.044 1.00 42.00 O HETATM 2355 O HOH 64 -13.299 11.846 -28.064 1.00 27.29 O HETATM 2356 O HOH 65 -5.632 9.703 -18.816 1.00 67.25 O HETATM 2357 O HOH 66 -17.446 -1.077 -0.764 1.00 30.67 O HETATM 2358 O HOH 67 -11.148 25.824 -8.038 1.00 58.52 O HETATM 2359 O HOH 68 -17.122 -1.018 -10.840 1.00 11.79 O HETATM 2360 O HOH 69 6.897 -10.767 -2.074 1.00 40.82 O HETATM 2361 O HOH 70 11.417 -2.295 -5.469 1.00 38.57 O HETATM 2362 O HOH 71 -0.993 15.206 -13.871 1.00 65.01 O HETATM 2363 O HOH 72 -21.380 7.580 -19.064 1.00 11.16 O HETATM 2364 O HOH 73 -15.949 9.757 -26.260 1.00 12.68 O HETATM 2365 O HOH 74 -8.362 -3.200 -2.509 1.00 13.45 O HETATM 2366 O HOH 75 -8.226 21.582 -20.759 1.00 12.27 O HETATM 2367 O HOH 76 4.665 2.492 -21.535 1.00 12.27 O HETATM 2368 O HOH 77 -14.626 21.654 -24.902 1.00 12.29 O HETATM 2369 O HOH 78 -20.747 1.261 -15.298 1.00 15.08 O HETATM 2370 O HOH 79 -8.358 24.738 -19.366 1.00 13.05 O HETATM 2371 O HOH 80 -11.715 -4.772 -22.134 1.00 14.63 O HETATM 2372 O HOH 81 -1.874 -9.500 -19.014 1.00 18.06 O HETATM 2373 O HOH 82 -3.749 -6.398 -24.969 1.00 14.02 O HETATM 2374 O HOH 83 -22.752 20.224 -15.632 1.00 15.26 O HETATM 2375 O HOH 84 -15.763 19.597 -26.404 1.00 13.13 O HETATM 2376 O HOH 85 -5.983 8.160 -23.030 1.00 13.76 O HETATM 2377 O HOH 86 -21.658 6.869 -16.369 1.00 15.26 O HETATM 2378 O HOH 87 -5.677 5.337 -22.313 1.00 14.85 O HETATM 2379 O HOH 88 -12.660 16.807 -25.672 1.00 17.82 O HETATM 2380 O HOH 89 -20.059 -0.917 -13.817 1.00 14.26 O HETATM 2381 O HOH 90 -13.438 24.432 -25.157 1.00 14.81 O HETATM 2382 O HOH 91 -11.427 -11.532 -10.419 1.00 19.17 O HETATM 2383 O HOH 92 -22.591 3.217 -17.096 1.00 18.58 O HETATM 2384 O HOH 93 -5.518 20.463 -15.024 1.00 14.59 O HETATM 2385 O HOH 94 -14.868 0.015 -31.432 1.00 19.82 O HETATM 2386 O HOH 95 -0.449 -12.398 -20.848 1.00 19.25 O HETATM 2387 O HOH 96 4.240 1.424 -13.082 1.00 18.18 O HETATM 2388 O HOH 97 3.817 -13.061 -19.796 1.00 22.84 O HETATM 2389 O HOH 98 -9.568 25.141 -21.750 1.00 17.47 O HETATM 2390 O HOH 99 8.952 18.654 -14.878 1.00 14.68 O HETATM 2391 O HOH 100 5.774 -0.078 -24.144 1.00 15.37 O HETATM 2392 O HOH 101 0.294 -9.458 -16.700 1.00 21.86 O HETATM 2393 O HOH 102 -5.269 20.393 -17.817 1.00 18.46 O HETATM 2394 O HOH 103 8.014 -6.799 -16.086 1.00 22.84 O HETATM 2395 O HOH 104 5.121 1.677 -8.329 1.00 19.44 O HETATM 2396 O HOH 105 -4.131 -14.817 -25.712 1.00 20.61 O HETATM 2397 O HOH 106 -1.233 2.567 -6.123 1.00 19.82 O HETATM 2398 O HOH 107 -23.153 4.250 -19.597 1.00 16.21 O HETATM 2399 O HOH 108 -8.324 2.935 2.426 1.00 22.24 O HETATM 2400 O HOH 109 -15.900 -7.454 -12.088 1.00 23.27 O HETATM 2401 O HOH 110 -16.772 15.998 -26.823 1.00 18.33 O HETATM 2402 O HOH 111 6.108 15.322 -12.893 1.00 24.51 O HETATM 2403 O HOH 112 -13.708 -7.635 -6.090 1.00 19.78 O HETATM 2404 O HOH 113 -20.731 4.219 -6.400 1.00 20.47 O HETATM 2405 O HOH 114 -7.070 8.774 -25.420 1.00 22.03 O HETATM 2406 O HOH 115 -21.681 22.925 -11.815 1.00 23.42 O HETATM 2407 O HOH 116 -2.475 -8.734 -16.572 1.00 18.21 O HETATM 2408 O HOH 117 -7.305 -11.993 -18.560 1.00 18.71 O HETATM 2409 O HOH 118 -20.776 5.077 -13.458 1.00 19.80 O HETATM 2410 O HOH 119 -23.130 13.711 -21.521 1.00 22.64 O HETATM 2411 O HOH 120 5.956 -10.581 -11.988 1.00 24.82 O HETATM 2412 O HOH 121 -11.134 6.143 -27.438 1.00 19.45 O HETATM 2413 O HOH 122 2.580 1.509 -5.160 1.00 21.16 O HETATM 2414 O HOH 123 7.496 -9.670 -16.394 1.00 25.25 O HETATM 2415 O HOH 124 1.326 8.293 -21.113 1.00 22.66 O HETATM 2416 O HOH 125 8.924 -2.895 -6.921 1.00 26.08 O HETATM 2417 O HOH 126 -10.709 8.873 -27.305 1.00 24.65 O HETATM 2418 O HOH 127 1.340 7.245 -10.219 1.00 27.45 O HETATM 2419 O HOH 128 6.613 3.305 -15.134 1.00 23.28 O HETATM 2420 O HOH 129 -14.055 -0.590 -1.036 1.00 23.22 O HETATM 2421 O HOH 130 -6.243 22.203 -6.187 1.00 30.55 O HETATM 2422 O HOH 131 -19.124 19.768 -1.499 1.00 25.88 O HETATM 2423 O HOH 132 -6.771 -16.712 -20.006 1.00 21.79 O HETATM 2424 O HOH 133 -16.723 -4.404 -7.748 1.00 21.18 O HETATM 2425 O HOH 134 0.297 -12.084 -17.655 1.00 22.23 O HETATM 2426 O HOH 135 -10.623 -15.168 -10.051 1.00 31.82 O HETATM 2427 O HOH 136 -6.303 4.231 -24.756 1.00 22.97 O HETATM 2428 O HOH 137 -5.201 -17.078 -4.565 1.00 22.90 O HETATM 2429 O HOH 138 7.555 -10.894 -14.113 1.00 26.61 O HETATM 2430 O HOH 139 -0.459 -12.992 -15.105 1.00 20.94 O HETATM 2431 O HOH 140 -4.383 5.800 -2.055 1.00 19.48 O HETATM 2432 O HOH 141 -5.959 3.647 -28.706 1.00 25.42 O HETATM 2433 O HOH 142 -21.858 -3.248 -17.040 1.00 25.79 O HETATM 2434 O HOH 143 -12.145 6.102 -1.300 1.00 24.26 O HETATM 2435 O HOH 144 -8.080 4.850 -26.825 1.00 26.45 O HETATM 2436 O HOH 145 -12.342 22.136 -26.375 1.00 18.80 O HETATM 2437 O HOH 146 -1.156 2.663 -24.992 1.00 24.55 O HETATM 2438 O HOH 147 5.329 24.886 -17.664 1.00 31.95 O HETATM 2439 O HOH 148 -19.982 8.634 -15.170 1.00 26.88 O HETATM 2440 O HOH 149 -14.834 4.180 -30.144 1.00 22.27 O HETATM 2441 O HOH 150 -5.587 -19.140 -12.454 1.00 31.20 O HETATM 2442 O HOH 151 -7.341 -13.154 -22.823 1.00 29.34 O HETATM 2443 O HOH 152 -21.288 5.913 -31.550 1.00 41.92 O HETATM 2444 O HOH 153 6.895 -0.319 -1.305 1.00 28.88 O HETATM 2445 O HOH 154 -1.104 5.889 -23.345 1.00 25.25 O HETATM 2446 O HOH 155 -4.231 16.157 -3.829 1.00 24.09 O HETATM 2447 O HOH 156 10.326 -4.271 -13.497 1.00 27.36 O HETATM 2448 O HOH 157 -21.069 16.628 -10.547 1.00 29.34 O HETATM 2449 O HOH 158 -13.896 8.105 -28.163 1.00 24.28 O HETATM 2450 O HOH 159 -11.337 -0.731 0.543 1.00 33.99 O HETATM 2451 O HOH 160 4.642 11.232 -13.575 1.00 33.66 O HETATM 2452 O HOH 161 3.015 12.289 -6.183 1.00 32.32 O HETATM 2453 O HOH 162 -5.650 25.542 -19.626 1.00 23.72 O HETATM 2454 O HOH 163 -8.618 11.697 0.837 1.00 38.79 O HETATM 2455 O HOH 164 -19.303 11.081 -15.936 1.00 24.77 O HETATM 2456 O HOH 165 -8.290 -14.577 -26.396 1.00 29.45 O HETATM 2457 O HOH 166 -2.774 -16.533 -17.643 1.00 46.43 O HETATM 2458 O HOH 167 5.658 18.306 -9.437 1.00 36.62 O HETATM 2459 O HOH 168 -21.861 10.946 -8.338 1.00 24.99 O HETATM 2460 O HOH 169 -11.582 -13.717 -13.965 1.00 23.99 O HETATM 2461 O HOH 170 -20.108 7.858 -28.504 1.00 30.16 O HETATM 2462 O HOH 171 -10.229 2.356 -31.095 1.00 20.16 O HETATM 2463 O HOH 172 -21.122 9.232 -2.460 1.00 27.79 O HETATM 2464 O HOH 173 -6.223 11.767 -1.430 1.00 27.51 O HETATM 2465 O HOH 174 -13.099 17.415 1.062 1.00 44.04 O HETATM 2466 O HOH 175 -8.816 -16.978 -10.702 1.00 28.22 O HETATM 2467 O HOH 176 -21.642 13.252 -7.094 1.00 23.58 O HETATM 2468 O HOH 177 -18.568 2.668 -31.913 1.00 28.92 O HETATM 2469 O HOH 178 12.441 -3.835 -3.441 1.00 37.62 O HETATM 2470 O HOH 179 6.016 5.519 -8.650 1.00 43.36 O HETATM 2471 O HOH 180 -6.460 20.204 -4.210 1.00 34.69 O HETATM 2472 O HOH 181 -13.965 22.598 -0.449 1.00 30.50 O HETATM 2473 O HOH 182 4.883 14.916 -8.419 1.00 33.55 O HETATM 2474 O HOH 183 -15.495 7.038 -0.088 1.00 33.77 O HETATM 2475 O HOH 184 -24.967 13.756 -19.436 1.00 26.91 O HETATM 2476 O HOH 185 -13.126 24.486 -10.291 1.00 32.95 O HETATM 2477 O HOH 186 2.457 7.738 -13.348 1.00 26.45 O HETATM 2478 O HOH 187 -14.652 -2.558 -3.416 1.00 31.78 O HETATM 2479 O HOH 188 -22.629 4.960 -11.616 1.00 33.63 O HETATM 2480 O HOH 189 -12.237 27.037 -10.059 1.00 37.18 O HETATM 2481 O HOH 190 -2.390 2.083 -1.616 1.00 49.27 O HETATM 2482 O HOH 191 1.468 -9.534 -1.238 1.00 29.65 O HETATM 2483 O HOH 192 6.114 -17.911 -12.626 1.00 37.98 O HETATM 2484 O HOH 193 2.754 -5.875 3.257 1.00 45.54 O HETATM 2485 O HOH 194 -3.435 0.275 -0.028 1.00 30.74 O HETATM 2486 O HOH 195 -4.479 -9.362 0.417 1.00 32.19 O HETATM 2487 O HOH 196 1.896 -13.218 -2.008 1.00 39.50 O HETATM 2488 O HOH 197 0.830 -7.481 1.407 1.00 32.23 O HETATM 2489 O HOH 198 -1.789 -7.778 2.514 1.00 46.45 O HETATM 2490 N PRO A 199 -6.105 -3.110 3.821 1.00 0.25 N HETATM 2491 CA PRO A 199 -5.850 -1.903 3.002 1.00 0.07 C HETATM 2492 C PRO A 199 -4.394 -1.790 2.564 1.00 0.23 C HETATM 2493 O PRO A 199 -3.918 -0.700 2.252 1.00 -0.39 O HETATM 2494 N PRO A 199 -3.698 -2.923 2.542 1.00 -0.26 N HETATM 2495 CA PRO A 199 -2.302 -2.956 2.122 1.00 0.16 C HETATM 2496 C PRO A 199 -2.191 -3.668 0.779 1.00 0.21 C HETATM 2497 O PRO A 199 -2.761 -4.744 0.592 1.00 -0.39 O HETATM 2498 N PRO A 199 -1.465 -3.068 -0.176 1.00 -0.25 N HETATM 2499 CA PRO A 199 -1.295 -3.671 -1.499 1.00 0.13 C HETATM 2500 C PRO A 199 -0.736 -5.084 -1.400 1.00 0.20 C HETATM 2501 O PRO A 199 0.219 -5.335 -0.662 1.00 -0.39 O HETATM 2502 N PRO A 199 -1.336 -6.006 -2.144 1.00 -0.26 N HETATM 2503 CA PRO A 199 -0.892 -7.395 -2.134 1.00 0.15 C HETATM 2504 C PRO A 199 -0.987 -7.995 -3.528 1.00 0.21 C HETATM 2505 O PRO A 199 -1.753 -7.527 -4.370 1.00 -0.39 O HETATM 2506 N PRO A 199 -0.197 -9.035 -3.761 1.00 -0.26 N HETATM 2507 CA PRO A 199 -0.173 -9.715 -5.046 1.00 0.13 C HETATM 2508 C PRO A 199 0.041 -11.204 -4.801 1.00 0.21 C HETATM 2509 O PRO A 199 0.689 -11.590 -3.830 1.00 -0.39 O HETATM 2510 N PRO A 199 -0.501 -12.060 -5.681 1.00 -0.25 N HETATM 2511 CA PRO A 199 -0.345 -13.510 -5.521 1.00 0.13 C HETATM 2512 C PRO A 199 1.090 -13.989 -5.732 1.00 0.20 C HETATM 2513 O PRO A 199 1.895 -13.318 -6.378 1.00 -0.39 O HETATM 2514 N PRO A 199 1.403 -15.153 -5.172 1.00 -0.26 N HETATM 2515 CA PRO A 199 2.731 -15.732 -5.305 1.00 0.13 C HETATM 2516 C PRO A 199 2.906 -16.284 -6.718 1.00 0.21 C HETATM 2517 O PRO A 199 1.941 -16.724 -7.343 1.00 -0.39 O HETATM 2518 N PRO A 199 4.139 -16.256 -7.213 1.00 -0.25 N HETATM 2519 CA PRO A 199 4.441 -16.754 -8.559 1.00 0.13 C HETATM 2520 C PRO A 199 4.268 -18.266 -8.656 1.00 0.20 C HETATM 2521 O PRO A 199 4.342 -18.962 -7.643 1.00 -0.39 O HETATM 2522 N PRO A 199 4.041 -18.764 -9.867 1.00 -0.27 N HETATM 2523 CA PRO A 199 3.859 -20.193 -10.087 1.00 0.09 C HETATM 2524 C PRO A 199 5.199 -20.920 -10.120 1.00 0.06 C HETATM 2525 O PRO A 199 6.231 -20.327 -10.434 1.00 -0.57 O HETATM 2526 OXT PRO A 199 5.181 -22.139 -9.849 1.00 -0.57 O HETATM 2527 CB PRO A 199 3.093 -20.443 -11.388 1.00 -0.02 C HETATM 2528 CG PRO A 199 1.582 -20.205 -11.341 1.00 -0.04 C HETATM 2529 CD1 PRO A 199 1.274 -18.717 -11.273 1.00 -0.06 C HETATM 2530 H62 PRO A 199 0.184 -18.569 -11.240 1.00 0.02 H HETATM 2531 H63 PRO A 199 1.685 -18.216 -12.162 1.00 0.02 H HETATM 2532 H64 PRO A 199 1.730 -18.289 -10.368 1.00 0.02 H HETATM 2533 CD2 PRO A 199 0.900 -20.844 -12.541 1.00 -0.06 C HETATM 2534 H65 PRO A 199 1.137 -21.918 -12.569 1.00 0.02 H HETATM 2535 H66 PRO A 199 1.258 -20.366 -13.464 1.00 0.02 H HETATM 2536 H67 PRO A 199 -0.189 -20.711 -12.458 1.00 0.02 H HETATM 2537 H61 PRO A 199 1.188 -20.679 -10.430 1.00 0.03 H HETATM 2538 H59 PRO A 199 3.258 -21.491 -11.678 1.00 0.03 H HETATM 2539 H60 PRO A 199 3.513 -19.779 -12.157 1.00 0.03 H HETATM 2540 H58 PRO A 199 3.267 -20.597 -9.252 1.00 0.07 H HETATM 2541 H57 PRO A 199 3.994 -18.142 -10.648 1.00 0.19 H HETATM 2542 CB PRO A 199 5.913 -16.380 -8.743 1.00 -0.01 C HETATM 2543 CG PRO A 199 6.101 -15.184 -7.880 1.00 -0.03 C HETATM 2544 CD PRO A 199 5.211 -15.393 -6.687 1.00 0.04 C HETATM 2545 H55 PRO A 199 5.755 -15.893 -5.872 1.00 0.05 H HETATM 2546 H56 PRO A 199 4.806 -14.437 -6.325 1.00 0.05 H HETATM 2547 H53 PRO A 199 5.808 -14.272 -8.421 1.00 0.03 H HETATM 2548 H54 PRO A 199 7.151 -15.101 -7.564 1.00 0.03 H HETATM 2549 H51 PRO A 199 6.125 -16.138 -9.795 1.00 0.03 H HETATM 2550 H52 PRO A 199 6.567 -17.202 -8.417 1.00 0.03 H HETATM 2551 H50 PRO A 199 3.807 -16.262 -9.311 1.00 0.08 H HETATM 2552 CB PRO A 199 2.945 -16.878 -4.297 1.00 -0.01 C HETATM 2553 CG1 PRO A 199 2.795 -16.359 -2.877 1.00 -0.06 C HETATM 2554 H44 PRO A 199 2.950 -17.184 -2.167 1.00 0.02 H HETATM 2555 H45 PRO A 199 1.785 -15.944 -2.743 1.00 0.02 H HETATM 2556 H46 PRO A 199 3.542 -15.572 -2.693 1.00 0.02 H HETATM 2557 CG2 PRO A 199 1.947 -17.996 -4.561 1.00 -0.06 C HETATM 2558 H47 PRO A 199 2.069 -18.360 -5.592 1.00 0.02 H HETATM 2559 H48 PRO A 199 0.924 -17.614 -4.425 1.00 0.02 H HETATM 2560 H49 PRO A 199 2.127 -18.822 -3.857 1.00 0.02 H HETATM 2561 H43 PRO A 199 3.963 -17.276 -4.422 1.00 0.03 H HETATM 2562 H42 PRO A 199 3.481 -14.949 -5.123 1.00 0.08 H HETATM 2563 H41 PRO A 199 0.708 -15.643 -4.646 1.00 0.19 H HETATM 2564 CB PRO A 199 -1.303 -14.070 -6.565 1.00 -0.01 C HETATM 2565 CG PRO A 199 -1.233 -13.044 -7.655 1.00 -0.03 C HETATM 2566 CD PRO A 199 -1.302 -11.746 -6.879 1.00 0.04 C HETATM 2567 H39 PRO A 199 -0.859 -10.916 -7.449 1.00 0.05 H HETATM 2568 H40 PRO A 199 -2.339 -11.495 -6.612 1.00 0.05 H HETATM 2569 H37 PRO A 199 -2.082 -13.140 -8.348 1.00 0.03 H HETATM 2570 H38 PRO A 199 -0.291 -13.123 -8.217 1.00 0.03 H HETATM 2571 H35 PRO A 199 -2.324 -14.154 -6.163 1.00 0.03 H HETATM 2572 H36 PRO A 199 -0.968 -15.054 -6.924 1.00 0.03 H HETATM 2573 H34 PRO A 199 -0.663 -13.814 -4.513 1.00 0.08 H HETATM 2574 CB PRO A 199 0.945 -9.156 -5.912 1.00 -0.02 C HETATM 2575 H31 PRO A 199 0.954 -9.677 -6.881 1.00 0.03 H HETATM 2576 H32 PRO A 199 1.910 -9.306 -5.406 1.00 0.03 H HETATM 2577 H33 PRO A 199 0.779 -8.081 -6.076 1.00 0.03 H HETATM 2578 H30 PRO A 199 -1.135 -9.564 -5.558 1.00 0.08 H HETATM 2579 H29 PRO A 199 0.401 -9.362 -3.029 1.00 0.19 H HETATM 2580 CB PRO A 199 -1.736 -8.212 -1.152 1.00 0.08 C HETATM 2581 OG PRO A 199 -3.111 -8.177 -1.490 1.00 -0.39 O HETATM 2582 H28 PRO A 199 -3.603 -8.692 -0.862 1.00 0.21 H HETATM 2583 H26 PRO A 199 -1.607 -7.799 -0.141 1.00 0.06 H HETATM 2584 H27 PRO A 199 -1.391 -9.256 -1.168 1.00 0.06 H HETATM 2585 H25 PRO A 199 0.158 -7.426 -1.808 1.00 0.08 H HETATM 2586 H24 PRO A 199 -2.108 -5.742 -2.723 1.00 0.19 H HETATM 2587 CB PRO A 199 -0.328 -2.716 -2.190 1.00 -0.01 C HETATM 2588 CG PRO A 199 -0.686 -1.398 -1.583 1.00 -0.03 C HETATM 2589 CD PRO A 199 -0.824 -1.743 -0.122 1.00 0.04 C HETATM 2590 H22 PRO A 199 0.158 -1.795 0.370 1.00 0.05 H HETATM 2591 H23 PRO A 199 -1.459 -1.014 0.402 1.00 0.05 H HETATM 2592 H20 PRO A 199 -1.632 -1.015 -1.993 1.00 0.03 H HETATM 2593 H21 PRO A 199 0.110 -0.656 -1.744 1.00 0.03 H HETATM 2594 H18 PRO A 199 -0.486 -2.708 -3.279 1.00 0.03 H HETATM 2595 H19 PRO A 199 0.717 -2.983 -1.973 1.00 0.03 H HETATM 2596 H17 PRO A 199 -2.254 -3.705 -2.037 1.00 0.08 H HETATM 2597 CB PRO A 199 -1.412 -3.703 3.146 1.00 0.09 C HETATM 2598 OG1 PRO A 199 -1.920 -5.029 3.349 1.00 -0.39 O HETATM 2599 H13 PRO A 199 -1.914 -5.499 2.523 1.00 0.21 H HETATM 2600 CG2 PRO A 199 -1.380 -2.962 4.470 1.00 -0.03 C HETATM 2601 H14 PRO A 199 -0.743 -3.509 5.181 1.00 0.03 H HETATM 2602 H15 PRO A 199 -2.401 -2.888 4.873 1.00 0.03 H HETATM 2603 H16 PRO A 199 -0.973 -1.952 4.315 1.00 0.03 H HETATM 2604 H12 PRO A 199 -0.388 -3.767 2.749 1.00 0.06 H HETATM 2605 H11 PRO A 199 -1.939 -1.923 2.019 1.00 0.08 H HETATM 2606 H10 PRO A 199 -4.143 -3.774 2.821 1.00 0.19 H HETATM 2607 CB PRO A 199 -6.265 -0.713 3.850 1.00 0.01 C HETATM 2608 CG PRO A 199 -7.378 -1.325 4.684 1.00 -0.01 C HETATM 2609 CD PRO A 199 -6.861 -2.740 5.033 1.00 -0.03 C HETATM 2610 H8 PRO A 199 -6.208 -2.718 5.918 1.00 0.08 H HETATM 2611 H9 PRO A 199 -7.695 -3.436 5.210 1.00 0.08 H HETATM 2612 H6 PRO A 199 -8.312 -1.383 4.105 1.00 0.03 H HETATM 2613 H7 PRO A 199 -7.549 -0.737 5.598 1.00 0.03 H HETATM 2614 H4 PRO A 199 -6.635 0.116 3.229 1.00 0.03 H HETATM 2615 H5 PRO A 199 -5.437 -0.358 4.480 1.00 0.03 H HETATM 2616 H3 PRO A 199 -6.477 -1.943 2.099 1.00 0.11 H HETATM 2617 H1 PRO A 199 -5.226 -3.525 4.088 1.00 0.20 H HETATM 2618 H2 PRO A 199 -6.640 -3.773 3.282 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 2490 2491 2609 2617 2618 CONECT 2491 2490 2492 2607 2616 CONECT 2492 2491 2493 2494 CONECT 2493 2492 CONECT 2494 2492 2495 2606 CONECT 2495 2494 2496 2597 2605 CONECT 2496 2495 2497 2498 CONECT 2497 2496 CONECT 2498 2496 2499 2589 CONECT 2499 2498 2500 2587 2596 CONECT 2500 2499 2501 2502 CONECT 2501 2500 CONECT 2502 2500 2503 2586 CONECT 2503 2502 2504 2580 2585 CONECT 2504 2503 2505 2506 CONECT 2505 2504 CONECT 2506 2504 2507 2579 CONECT 2507 2506 2508 2574 2578 CONECT 2508 2507 2509 2510 CONECT 2509 2508 CONECT 2510 2508 2511 2566 CONECT 2511 2510 2512 2564 2573 CONECT 2512 2511 2513 2514 CONECT 2513 2512 CONECT 2514 2512 2515 2563 CONECT 2515 2514 2516 2552 2562 CONECT 2516 2515 2517 2518 CONECT 2517 2516 CONECT 2518 2516 2519 2544 CONECT 2519 2518 2520 2542 2551 CONECT 2520 2519 2521 2522 CONECT 2521 2520 CONECT 2522 2520 2523 2541 CONECT 2523 2522 2524 2527 2540 CONECT 2524 2523 2525 2526 CONECT 2525 2524 CONECT 2526 2524 CONECT 2527 2523 2528 2538 2539 CONECT 2528 2527 2529 2533 2537 CONECT 2529 2528 2530 2531 2532 CONECT 2530 2529 CONECT 2531 2529 CONECT 2532 2529 CONECT 2533 2528 2534 2535 2536 CONECT 2534 2533 CONECT 2535 2533 CONECT 2536 2533 CONECT 2537 2528 CONECT 2538 2527 CONECT 2539 2527 CONECT 2540 2523 CONECT 2541 2522 CONECT 2542 2519 2543 2549 2550 CONECT 2543 2542 2544 2547 2548 CONECT 2544 2518 2543 2545 2546 CONECT 2545 2544 CONECT 2546 2544 CONECT 2547 2543 CONECT 2548 2543 CONECT 2549 2542 CONECT 2550 2542 CONECT 2551 2519 CONECT 2552 2515 2553 2557 2561 CONECT 2553 2552 2554 2555 2556 CONECT 2554 2553 CONECT 2555 2553 CONECT 2556 2553 CONECT 2557 2552 2558 2559 2560 CONECT 2558 2557 CONECT 2559 2557 CONECT 2560 2557 CONECT 2561 2552 CONECT 2562 2515 CONECT 2563 2514 CONECT 2564 2511 2565 2571 2572 CONECT 2565 2564 2566 2569 2570 CONECT 2566 2510 2565 2567 2568 CONECT 2567 2566 CONECT 2568 2566 CONECT 2569 2565 CONECT 2570 2565 CONECT 2571 2564 CONECT 2572 2564 CONECT 2573 2511 CONECT 2574 2507 2575 2576 2577 CONECT 2575 2574 CONECT 2576 2574 CONECT 2577 2574 CONECT 2578 2507 CONECT 2579 2506 CONECT 2580 2503 2581 2583 2584 CONECT 2581 2580 2582 CONECT 2582 2581 CONECT 2583 2580 CONECT 2584 2580 CONECT 2585 2503 CONECT 2586 2502 CONECT 2587 2499 2588 2594 2595 CONECT 2588 2587 2589 2592 2593 CONECT 2589 2498 2588 2590 2591 CONECT 2590 2589 CONECT 2591 2589 CONECT 2592 2588 CONECT 2593 2588 CONECT 2594 2587 CONECT 2595 2587 CONECT 2596 2499 CONECT 2597 2495 2598 2600 2604 CONECT 2598 2597 2599 CONECT 2599 2598 CONECT 2600 2597 2601 2602 2603 CONECT 2601 2600 CONECT 2602 2600 CONECT 2603 2600 CONECT 2604 2597 CONECT 2605 2495 CONECT 2606 2494 CONECT 2607 2491 2608 2614 2615 CONECT 2608 2607 2609 2612 2613 CONECT 2609 2490 2608 2610 2611 CONECT 2610 2609 CONECT 2611 2609 CONECT 2612 2608 CONECT 2613 2608 CONECT 2614 2607 CONECT 2615 2607 CONECT 2616 2491 CONECT 2617 2490 CONECT 2618 2490 MASTER 0 0 0 0 0 0 0 0 2617 1 133 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3obq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1s1q
RCSB PDB
PDBbind
145aa, >1S1Q_1|Chains... at 95%
3obu
RCSB PDB
PDBbind
146aa, >3OBU_1|Chain... at 100%
3obx
RCSB PDB
PDBbind
146aa, >3OBX_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
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Entry Information
PDB ID
3obq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tumor susceptibility gene 101 protein N-terminal UEV domain(43VFNDGS48-GTG mutant)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=290uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Structure Vol. 18: pp. 1536-1547
Ligand Properties
Formula
C
4
1
H
6
8
N
9
O
1
2
Molecular Weight
879.032
Exact Mass
878.499
No. of atoms
130
No. of bonds
133
Polar Surface Area
300.8
LOGP Value
-1.98 (
Computed with XLOGP3
)
-0.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCC[NH2+]1
InChI String
InChI=1S/C41H67N9O12/c1-21(2)19-26(41(61)62)44-35(55)28-12-9-17-49(28)39(59)31(22(3)4)46-37(57)30-14-8-16-48(30)38(58)23(5)43-34(54)27(20-51)45-36(56)29-13-10-18-50(29)40(60)32(24(6)52)47-33(53)25-11-7-15-42-25/h21-32,42,51-52H,7-20H2,1-6H3,(H,43,54)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,61,62)/p+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/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):
O14964
Q99816
Entrez Gene ID
NCBI Entrez Gene ID:
9146
7251
ASD
Information of known allosteric effects of PDB entries
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