Browse entries in the PDBbind-CN Database
HEADER 2KOH_COMPLEX COMPND 2KOH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 GLY SER ASP GLY THR ARG GLU PHE LEU THR PHE GLU VAL SEQRES 2 A 111 PRO LEU ASN ASP SER GLY SER ALA GLY LEU GLY VAL SER SEQRES 3 A 111 VAL LYS GLY ASN ARG SER LYS GLU ASN HIS ALA ASP LEU SEQRES 4 A 111 GLY ILE PHE VAL LYS SER ILE ILE ASN GLY GLY ALA ALA SEQRES 5 A 111 SER LYS ASP GLY ARG LEU ARG VAL ASN ASP GLN LEU ILE SEQRES 6 A 111 ALA VAL ASN GLY GLU SER LEU LEU GLY LYS ALA ASN GLN SEQRES 7 A 111 GLU ALA MET GLU THR LEU ARG ARG SER MET SER THR GLU SEQRES 8 A 111 GLY ASN LYS ARG GLY MET ILE GLN LEU ILE VAL ALA ARG SEQRES 9 A 111 ARG ILE SER ARG CYS ASN GLU HET MET A 112 252 ATOM 1 N GLY A 579 -22.965 -13.267 -6.972 1.00 13.00 N ATOM 2 CA GLY A 579 -22.258 -14.041 -5.971 1.00 45.03 C ATOM 3 C GLY A 579 -21.344 -13.177 -5.156 1.00 12.34 C ATOM 4 O GLY A 579 -20.174 -13.014 -5.487 1.00 50.15 O ATOM 5 HA3 GLY A 579 -21.668 -14.811 -6.469 1.00 0.00 H ATOM 6 HA2 GLY A 579 -22.984 -14.513 -5.309 1.00 0.00 H ATOM 7 HN3 GLY A 579 -22.278 -12.818 -7.611 1.00 0.00 H ATOM 8 HN2 GLY A 579 -23.534 -12.534 -6.503 1.00 0.00 H ATOM 9 HN1 GLY A 579 -23.588 -13.895 -7.518 1.00 0.00 H ATOM 10 N SER A 580 -21.869 -12.605 -4.110 1.00 14.31 N ATOM 11 CA SER A 580 -21.105 -11.770 -3.226 1.00 33.03 C ATOM 12 C SER A 580 -21.434 -12.142 -1.792 1.00 32.22 C ATOM 13 O SER A 580 -22.573 -12.001 -1.361 1.00 2.24 O ATOM 14 CB SER A 580 -21.445 -10.295 -3.481 1.00 63.04 C ATOM 15 OG SER A 580 -21.229 -9.947 -4.847 1.00 65.34 O ATOM 16 HA SER A 580 -20.040 -11.917 -3.405 1.00 0.00 H ATOM 17 HB2 SER A 580 -20.814 -9.670 -2.850 1.00 0.00 H ATOM 18 HB3 SER A 580 -22.492 -10.122 -3.231 1.00 0.00 H ATOM 19 HG SER A 580 -21.455 -8.993 -4.983 1.00 0.00 H ATOM 20 H SER A 580 -22.878 -12.759 -3.908 1.00 0.00 H ATOM 21 N ASP A 581 -20.463 -12.649 -1.069 1.00 42.14 N ATOM 22 CA ASP A 581 -20.677 -13.029 0.317 1.00 75.01 C ATOM 23 C ASP A 581 -19.508 -12.585 1.172 1.00 41.31 C ATOM 24 O ASP A 581 -19.645 -11.688 2.007 1.00 52.41 O ATOM 25 CB ASP A 581 -20.902 -14.546 0.446 1.00 13.13 C ATOM 26 CG ASP A 581 -21.174 -14.981 1.876 1.00 30.44 C ATOM 27 OD1 ASP A 581 -22.341 -14.930 2.318 1.00 32.34 O ATOM 28 OD2 ASP A 581 -20.237 -15.390 2.577 1.00 43.23 O ATOM 29 HA ASP A 581 -21.577 -12.527 0.673 1.00 0.00 H ATOM 30 HB2 ASP A 581 -21.755 -14.826 -0.172 1.00 0.00 H ATOM 31 HB3 ASP A 581 -20.011 -15.062 0.088 1.00 0.00 H ATOM 32 H ASP A 581 -19.524 -12.781 -1.496 1.00 0.00 H ATOM 33 N GLY A 582 -18.355 -13.172 0.929 1.00 13.44 N ATOM 34 CA GLY A 582 -17.169 -12.857 1.697 1.00 4.11 C ATOM 35 C GLY A 582 -16.113 -12.223 0.827 1.00 35.11 C ATOM 36 O GLY A 582 -14.959 -12.646 0.820 1.00 55.34 O ATOM 37 HA3 GLY A 582 -16.771 -13.774 2.130 1.00 0.00 H ATOM 38 HA2 GLY A 582 -17.435 -12.165 2.496 1.00 0.00 H ATOM 39 H GLY A 582 -18.295 -13.878 0.168 1.00 0.00 H ATOM 40 N THR A 583 -16.514 -11.224 0.095 1.00 63.34 N ATOM 41 CA THR A 583 -15.635 -10.522 -0.801 1.00 53.33 C ATOM 42 C THR A 583 -15.054 -9.288 -0.104 1.00 44.41 C ATOM 43 O THR A 583 -15.582 -8.835 0.927 1.00 24.23 O ATOM 44 CB THR A 583 -16.387 -10.119 -2.120 1.00 34.03 C ATOM 45 OG1 THR A 583 -15.525 -9.392 -3.012 1.00 55.03 O ATOM 46 CG2 THR A 583 -17.627 -9.290 -1.822 1.00 5.05 C ATOM 47 HA THR A 583 -14.815 -11.185 -1.076 1.00 0.00 H ATOM 48 HB THR A 583 -16.694 -11.046 -2.605 1.00 0.00 H ATOM 49 HG1 THR A 583 -16.026 -9.153 -3.832 1.00 0.00 H ATOM 50 HG23 THR A 583 -18.279 -9.843 -1.146 1.00 0.00 H ATOM 51 HG21 THR A 583 -17.331 -8.350 -1.356 1.00 0.00 H ATOM 52 HG22 THR A 583 -18.157 -9.084 -2.752 1.00 0.00 H ATOM 53 H THR A 583 -17.507 -10.922 0.161 1.00 0.00 H ATOM 54 N ARG A 584 -13.974 -8.777 -0.632 1.00 44.21 N ATOM 55 CA ARG A 584 -13.355 -7.590 -0.114 1.00 24.41 C ATOM 56 C ARG A 584 -13.312 -6.536 -1.196 1.00 44.34 C ATOM 57 O ARG A 584 -12.976 -6.823 -2.347 1.00 23.24 O ATOM 58 CB ARG A 584 -11.961 -7.884 0.466 1.00 40.54 C ATOM 59 CG ARG A 584 -10.989 -8.515 -0.529 1.00 51.34 C ATOM 60 CD ARG A 584 -9.688 -8.960 0.132 1.00 72.23 C ATOM 61 NE ARG A 584 -8.864 -7.852 0.650 1.00 52.23 N ATOM 62 CZ ARG A 584 -7.938 -8.002 1.624 1.00 1.51 C ATOM 63 NH1 ARG A 584 -7.892 -9.127 2.329 1.00 1.23 N ATOM 64 NH2 ARG A 584 -7.090 -7.012 1.916 1.00 1.53 N ATOM 65 HA ARG A 584 -13.952 -7.210 0.715 1.00 0.00 H ATOM 66 HB2 ARG A 584 -11.531 -6.945 0.816 1.00 0.00 H ATOM 67 HB3 ARG A 584 -12.078 -8.565 1.309 1.00 0.00 H ATOM 68 HG2 ARG A 584 -11.467 -9.383 -0.983 1.00 0.00 H ATOM 69 HG3 ARG A 584 -10.756 -7.784 -1.303 1.00 0.00 H ATOM 70 HD2 ARG A 584 -9.100 -9.508 -0.604 1.00 0.00 H ATOM 71 HD3 ARG A 584 -9.935 -9.621 0.963 1.00 0.00 H ATOM 72 HE ARG A 584 -9.003 -6.904 0.244 1.00 0.00 H ATOM 73 HH12 ARG A 584 -7.180 -9.242 3.078 1.00 0.00 H ATOM 74 HH11 ARG A 584 -8.568 -9.892 2.132 1.00 0.00 H ATOM 75 HH22 ARG A 584 -6.382 -7.138 2.667 1.00 0.00 H ATOM 76 HH21 ARG A 584 -7.138 -6.115 1.392 1.00 0.00 H ATOM 77 H ARG A 584 -13.548 -9.246 -1.456 1.00 0.00 H ATOM 78 N GLU A 585 -13.660 -5.339 -0.832 1.00 65.25 N ATOM 79 CA GLU A 585 -13.758 -4.249 -1.767 1.00 4.15 C ATOM 80 C GLU A 585 -12.642 -3.269 -1.502 1.00 1.20 C ATOM 81 O GLU A 585 -12.224 -3.107 -0.363 1.00 51.22 O ATOM 82 CB GLU A 585 -15.092 -3.526 -1.571 1.00 35.43 C ATOM 83 CG GLU A 585 -16.329 -4.411 -1.672 1.00 4.04 C ATOM 84 CD GLU A 585 -16.520 -5.044 -3.033 1.00 11.33 C ATOM 85 OE1 GLU A 585 -16.996 -4.354 -3.952 1.00 60.11 O ATOM 86 OE2 GLU A 585 -16.232 -6.246 -3.199 1.00 40.44 O ATOM 87 HA GLU A 585 -13.690 -4.638 -2.783 1.00 0.00 H ATOM 88 HB2 GLU A 585 -15.085 -3.067 -0.583 1.00 0.00 H ATOM 89 HB3 GLU A 585 -15.170 -2.749 -2.331 1.00 0.00 H ATOM 90 HG2 GLU A 585 -16.244 -5.207 -0.932 1.00 0.00 H ATOM 91 HG3 GLU A 585 -17.206 -3.803 -1.450 1.00 0.00 H ATOM 92 H GLU A 585 -13.875 -5.162 0.170 1.00 0.00 H ATOM 93 N PHE A 586 -12.157 -2.638 -2.529 1.00 30.31 N ATOM 94 CA PHE A 586 -11.115 -1.636 -2.387 1.00 63.34 C ATOM 95 C PHE A 586 -11.710 -0.261 -2.488 1.00 50.30 C ATOM 96 O PHE A 586 -12.353 0.078 -3.487 1.00 25.24 O ATOM 97 CB PHE A 586 -10.010 -1.779 -3.450 1.00 0.41 C ATOM 98 CG PHE A 586 -9.078 -2.954 -3.288 1.00 42.41 C ATOM 99 CD1 PHE A 586 -9.357 -3.986 -2.411 1.00 13.43 C ATOM 100 CD2 PHE A 586 -7.906 -3.009 -4.025 1.00 20.43 C ATOM 101 CE1 PHE A 586 -8.498 -5.046 -2.273 1.00 12.41 C ATOM 102 CE2 PHE A 586 -7.039 -4.072 -3.891 1.00 52.03 C ATOM 103 CZ PHE A 586 -7.335 -5.094 -3.014 1.00 54.34 C ATOM 104 HA PHE A 586 -10.661 -1.788 -1.408 1.00 0.00 H ATOM 105 HB2 PHE A 586 -10.494 -1.869 -4.423 1.00 0.00 H ATOM 106 HB3 PHE A 586 -9.408 -0.871 -3.428 1.00 0.00 H ATOM 107 HD2 PHE A 586 -7.667 -2.203 -4.718 1.00 0.00 H ATOM 108 HE2 PHE A 586 -6.121 -4.105 -4.477 1.00 0.00 H ATOM 109 HZ PHE A 586 -6.653 -5.937 -2.906 1.00 0.00 H ATOM 110 HE1 PHE A 586 -8.734 -5.851 -1.577 1.00 0.00 H ATOM 111 HD1 PHE A 586 -10.273 -3.957 -1.821 1.00 0.00 H ATOM 112 H PHE A 586 -12.524 -2.856 -3.477 1.00 0.00 H ATOM 113 N LEU A 587 -11.511 0.525 -1.486 1.00 31.32 N ATOM 114 CA LEU A 587 -11.976 1.871 -1.503 1.00 54.15 C ATOM 115 C LEU A 587 -10.806 2.781 -1.548 1.00 41.45 C ATOM 116 O LEU A 587 -9.801 2.561 -0.874 1.00 63.02 O ATOM 117 CB LEU A 587 -12.877 2.185 -0.319 1.00 3.12 C ATOM 118 CG LEU A 587 -14.150 1.358 -0.240 1.00 12.14 C ATOM 119 CD1 LEU A 587 -14.954 1.731 0.982 1.00 41.23 C ATOM 120 CD2 LEU A 587 -14.998 1.517 -1.500 1.00 63.44 C ATOM 121 HA LEU A 587 -12.588 2.017 -2.393 1.00 0.00 H ATOM 122 HB2 LEU A 587 -12.307 2.015 0.594 1.00 0.00 H ATOM 123 HB3 LEU A 587 -13.160 3.236 -0.379 1.00 0.00 H ATOM 124 HG LEU A 587 -13.857 0.311 -0.161 1.00 0.00 H ATOM 125 HD21 LEU A 587 -15.273 2.565 -1.622 1.00 0.00 H ATOM 126 HD22 LEU A 587 -14.424 1.188 -2.366 1.00 0.00 H ATOM 127 HD23 LEU A 587 -15.900 0.912 -1.408 1.00 0.00 H ATOM 128 HD11 LEU A 587 -14.359 1.549 1.877 1.00 0.00 H ATOM 129 HD12 LEU A 587 -15.222 2.786 0.931 1.00 0.00 H ATOM 130 HD13 LEU A 587 -15.860 1.126 1.018 1.00 0.00 H ATOM 131 H LEU A 587 -11.002 0.170 -0.651 1.00 0.00 H ATOM 132 N THR A 588 -10.907 3.760 -2.343 1.00 2.24 N ATOM 133 CA THR A 588 -9.828 4.661 -2.522 1.00 73.14 C ATOM 134 C THR A 588 -10.192 6.009 -1.964 1.00 10.14 C ATOM 135 O THR A 588 -11.184 6.610 -2.368 1.00 44.25 O ATOM 136 CB THR A 588 -9.495 4.787 -4.012 1.00 43.41 C ATOM 137 OG1 THR A 588 -9.274 3.469 -4.547 1.00 63.22 O ATOM 138 CG2 THR A 588 -8.244 5.627 -4.219 1.00 13.25 C ATOM 139 HA THR A 588 -8.954 4.280 -1.994 1.00 0.00 H ATOM 140 HB THR A 588 -10.326 5.275 -4.521 1.00 0.00 H ATOM 141 HG1 THR A 588 -9.058 3.537 -5.511 1.00 0.00 H ATOM 142 HG23 THR A 588 -8.408 6.626 -3.815 1.00 0.00 H ATOM 143 HG21 THR A 588 -7.404 5.159 -3.705 1.00 0.00 H ATOM 144 HG22 THR A 588 -8.026 5.696 -5.285 1.00 0.00 H ATOM 145 H THR A 588 -11.791 3.905 -2.871 1.00 0.00 H ATOM 146 N PHE A 589 -9.412 6.468 -1.041 1.00 41.24 N ATOM 147 CA PHE A 589 -9.618 7.759 -0.474 1.00 55.42 C ATOM 148 C PHE A 589 -8.524 8.686 -0.933 1.00 32.14 C ATOM 149 O PHE A 589 -7.360 8.285 -1.009 1.00 60.11 O ATOM 150 CB PHE A 589 -9.681 7.687 1.053 1.00 65.41 C ATOM 151 CG PHE A 589 -10.845 6.878 1.516 1.00 1.11 C ATOM 152 CD1 PHE A 589 -12.107 7.212 1.099 1.00 53.15 C ATOM 153 CD2 PHE A 589 -10.684 5.776 2.334 1.00 2.11 C ATOM 154 CE1 PHE A 589 -13.192 6.487 1.479 1.00 73.21 C ATOM 155 CE2 PHE A 589 -11.777 5.029 2.727 1.00 1.12 C ATOM 156 CZ PHE A 589 -13.036 5.386 2.299 1.00 35.35 C ATOM 157 HA PHE A 589 -10.577 8.149 -0.815 1.00 0.00 H ATOM 158 HB2 PHE A 589 -8.763 7.232 1.424 1.00 0.00 H ATOM 159 HB3 PHE A 589 -9.771 8.697 1.452 1.00 0.00 H ATOM 160 HD2 PHE A 589 -9.687 5.494 2.672 1.00 0.00 H ATOM 161 HE2 PHE A 589 -11.644 4.161 3.373 1.00 0.00 H ATOM 162 HZ PHE A 589 -13.905 4.803 2.605 1.00 0.00 H ATOM 163 HE1 PHE A 589 -14.186 6.774 1.137 1.00 0.00 H ATOM 164 HD1 PHE A 589 -12.243 8.077 0.449 1.00 0.00 H ATOM 165 H PHE A 589 -8.619 5.884 -0.706 1.00 0.00 H ATOM 166 N GLU A 590 -8.880 9.890 -1.267 1.00 21.34 N ATOM 167 CA GLU A 590 -7.918 10.857 -1.714 1.00 71.33 C ATOM 168 C GLU A 590 -7.890 11.995 -0.745 1.00 12.45 C ATOM 169 O GLU A 590 -8.881 12.696 -0.554 1.00 60.21 O ATOM 170 CB GLU A 590 -8.229 11.340 -3.112 1.00 24.15 C ATOM 171 CG GLU A 590 -8.250 10.236 -4.152 1.00 71.23 C ATOM 172 CD GLU A 590 -8.520 10.758 -5.530 1.00 33.33 C ATOM 173 OE1 GLU A 590 -9.696 11.016 -5.858 1.00 51.45 O ATOM 174 OE2 GLU A 590 -7.559 10.934 -6.303 1.00 33.41 O ATOM 175 HA GLU A 590 -6.934 10.390 -1.754 1.00 0.00 H ATOM 176 HB2 GLU A 590 -9.208 11.820 -3.100 1.00 0.00 H ATOM 177 HB3 GLU A 590 -7.472 12.069 -3.400 1.00 0.00 H ATOM 178 HG2 GLU A 590 -7.282 9.734 -4.150 1.00 0.00 H ATOM 179 HG3 GLU A 590 -9.029 9.521 -3.889 1.00 0.00 H ATOM 180 H GLU A 590 -9.883 10.159 -1.209 1.00 0.00 H ATOM 181 N VAL A 591 -6.768 12.190 -0.168 1.00 22.30 N ATOM 182 CA VAL A 591 -6.599 13.107 0.914 1.00 73.34 C ATOM 183 C VAL A 591 -5.660 14.199 0.491 1.00 74.20 C ATOM 184 O VAL A 591 -4.519 13.939 0.194 1.00 74.41 O ATOM 185 CB VAL A 591 -5.986 12.349 2.118 1.00 45.15 C ATOM 186 CG1 VAL A 591 -5.738 13.262 3.292 1.00 11.12 C ATOM 187 CG2 VAL A 591 -6.878 11.189 2.523 1.00 14.12 C ATOM 188 HA VAL A 591 -7.561 13.537 1.193 1.00 0.00 H ATOM 189 HB VAL A 591 -5.019 11.958 1.801 1.00 0.00 H ATOM 190 HG11 VAL A 591 -5.046 14.051 2.997 1.00 0.00 H ATOM 191 HG12 VAL A 591 -6.681 13.705 3.612 1.00 0.00 H ATOM 192 HG13 VAL A 591 -5.308 12.688 4.113 1.00 0.00 H ATOM 193 HG21 VAL A 591 -7.860 11.569 2.805 1.00 0.00 H ATOM 194 HG22 VAL A 591 -6.980 10.501 1.684 1.00 0.00 H ATOM 195 HG23 VAL A 591 -6.432 10.668 3.370 1.00 0.00 H ATOM 196 H VAL A 591 -5.939 11.657 -0.501 1.00 0.00 H ATOM 197 N PRO A 592 -6.108 15.424 0.436 1.00 51.12 N ATOM 198 CA PRO A 592 -5.244 16.517 0.078 1.00 20.23 C ATOM 199 C PRO A 592 -4.373 16.905 1.251 1.00 43.55 C ATOM 200 O PRO A 592 -4.804 16.825 2.410 1.00 1.25 O ATOM 201 CB PRO A 592 -6.220 17.629 -0.265 1.00 2.04 C ATOM 202 CG PRO A 592 -7.383 17.360 0.612 1.00 15.10 C ATOM 203 CD PRO A 592 -7.486 15.867 0.718 1.00 24.43 C ATOM 204 HA PRO A 592 -4.562 16.283 -0.739 1.00 0.00 H ATOM 205 HD3 PRO A 592 -7.799 15.565 1.717 1.00 0.00 H ATOM 206 HD2 PRO A 592 -8.185 15.468 -0.017 1.00 0.00 H ATOM 207 HG3 PRO A 592 -8.292 17.772 0.173 1.00 0.00 H ATOM 208 HG2 PRO A 592 -7.225 17.800 1.597 1.00 0.00 H ATOM 209 HB2 PRO A 592 -5.788 18.606 -0.049 1.00 0.00 H ATOM 210 HB3 PRO A 592 -6.507 17.584 -1.316 1.00 0.00 H ATOM 211 N LEU A 593 -3.161 17.309 0.985 1.00 73.20 N ATOM 212 CA LEU A 593 -2.300 17.748 2.048 1.00 2.41 C ATOM 213 C LEU A 593 -2.629 19.166 2.432 1.00 12.03 C ATOM 214 O LEU A 593 -1.910 20.114 2.116 1.00 32.52 O ATOM 215 CB LEU A 593 -0.784 17.542 1.782 1.00 3.55 C ATOM 216 CG LEU A 593 -0.235 16.092 1.810 1.00 35.24 C ATOM 217 CD1 LEU A 593 -0.476 15.438 3.161 1.00 24.20 C ATOM 218 CD2 LEU A 593 -0.812 15.244 0.696 1.00 53.01 C ATOM 219 HA LEU A 593 -2.505 17.096 2.897 1.00 0.00 H ATOM 220 HB2 LEU A 593 -0.568 17.953 0.796 1.00 0.00 H ATOM 221 HB3 LEU A 593 -0.241 18.110 2.537 1.00 0.00 H ATOM 222 HG LEU A 593 0.841 16.158 1.648 1.00 0.00 H ATOM 223 HD21 LEU A 593 -1.896 15.200 0.799 1.00 0.00 H ATOM 224 HD22 LEU A 593 -0.555 15.687 -0.266 1.00 0.00 H ATOM 225 HD23 LEU A 593 -0.399 14.237 0.756 1.00 0.00 H ATOM 226 HD11 LEU A 593 0.026 16.015 3.937 1.00 0.00 H ATOM 227 HD12 LEU A 593 -1.547 15.409 3.363 1.00 0.00 H ATOM 228 HD13 LEU A 593 -0.080 14.423 3.148 1.00 0.00 H ATOM 229 H LEU A 593 -2.818 17.313 0.003 1.00 0.00 H ATOM 230 N ASN A 594 -3.782 19.299 3.027 1.00 73.45 N ATOM 231 CA ASN A 594 -4.267 20.583 3.516 1.00 74.33 C ATOM 232 C ASN A 594 -4.165 20.581 4.997 1.00 32.40 C ATOM 233 O ASN A 594 -3.326 21.286 5.572 1.00 0.42 O ATOM 234 CB ASN A 594 -5.716 20.882 3.088 1.00 44.34 C ATOM 235 CG ASN A 594 -5.926 21.008 1.587 1.00 40.34 C ATOM 236 OD1 ASN A 594 -7.005 20.708 1.083 1.00 4.43 O ATOM 237 ND2 ASN A 594 -4.929 21.462 0.870 1.00 52.14 N ATOM 238 HA ASN A 594 -3.652 21.369 3.078 1.00 0.00 H ATOM 239 HB2 ASN A 594 -6.351 20.074 3.453 1.00 0.00 H ATOM 240 HB3 ASN A 594 -6.020 21.820 3.553 1.00 0.00 H ATOM 241 HD22 ASN A 594 -4.028 21.707 1.328 1.00 0.00 H ATOM 242 HD21 ASN A 594 -5.038 21.578 -0.158 1.00 0.00 H ATOM 243 H ASN A 594 -4.378 18.457 3.157 1.00 0.00 H ATOM 244 N ASP A 595 -4.982 19.756 5.640 1.00 2.14 N ATOM 245 CA ASP A 595 -4.884 19.588 7.080 1.00 44.44 C ATOM 246 C ASP A 595 -3.836 18.549 7.310 1.00 74.22 C ATOM 247 O ASP A 595 -4.110 17.372 7.572 1.00 45.31 O ATOM 248 CB ASP A 595 -6.215 19.183 7.727 1.00 35.11 C ATOM 249 CG ASP A 595 -6.243 19.357 9.246 1.00 62.44 C ATOM 250 OD1 ASP A 595 -5.404 18.780 9.958 1.00 45.13 O ATOM 251 OD2 ASP A 595 -7.155 20.081 9.737 1.00 23.22 O ATOM 252 HA ASP A 595 -4.622 20.537 7.547 1.00 0.00 H ATOM 253 HB2 ASP A 595 -7.007 19.796 7.296 1.00 0.00 H ATOM 254 HB3 ASP A 595 -6.403 18.134 7.498 1.00 0.00 H ATOM 255 H ASP A 595 -5.700 19.224 5.108 1.00 0.00 H ATOM 256 N SER A 596 -2.651 18.971 7.067 1.00 12.23 N ATOM 257 CA SER A 596 -1.521 18.193 7.204 1.00 54.32 C ATOM 258 C SER A 596 -0.525 19.036 7.901 1.00 45.43 C ATOM 259 O SER A 596 -0.292 20.191 7.541 1.00 4.53 O ATOM 260 CB SER A 596 -1.007 17.739 5.851 1.00 73.35 C ATOM 261 OG SER A 596 0.082 16.840 5.989 1.00 34.30 O ATOM 262 HA SER A 596 -1.730 17.285 7.770 1.00 0.00 H ATOM 263 HB2 SER A 596 -0.679 18.611 5.285 1.00 0.00 H ATOM 264 HB3 SER A 596 -1.814 17.241 5.313 1.00 0.00 H ATOM 265 HG SER A 596 -0.212 16.044 6.499 1.00 0.00 H ATOM 266 H SER A 596 -2.535 19.954 6.749 1.00 0.00 H ATOM 267 N GLY A 597 -0.003 18.491 8.884 1.00 60.03 N ATOM 268 CA GLY A 597 0.890 19.163 9.747 1.00 54.20 C ATOM 269 C GLY A 597 0.470 18.860 11.144 1.00 43.25 C ATOM 270 O GLY A 597 1.286 18.783 12.056 1.00 71.44 O ATOM 271 HA3 GLY A 597 0.844 20.237 9.568 1.00 0.00 H ATOM 272 HA2 GLY A 597 1.908 18.811 9.579 1.00 0.00 H ATOM 273 H GLY A 597 -0.232 17.496 9.082 1.00 0.00 H ATOM 274 N SER A 598 -0.848 18.663 11.286 1.00 44.34 N ATOM 275 CA SER A 598 -1.473 18.207 12.517 1.00 41.13 C ATOM 276 C SER A 598 -0.930 16.815 12.790 1.00 62.54 C ATOM 277 O SER A 598 -0.657 16.407 13.921 1.00 25.42 O ATOM 278 CB SER A 598 -2.984 18.113 12.275 1.00 24.05 C ATOM 279 OG SER A 598 -3.495 19.314 11.683 1.00 54.24 O ATOM 280 HA SER A 598 -1.272 18.879 13.351 1.00 0.00 H ATOM 281 HB2 SER A 598 -3.486 17.946 13.228 1.00 0.00 H ATOM 282 HB3 SER A 598 -3.185 17.275 11.608 1.00 0.00 H ATOM 283 HG SER A 598 -4.470 19.221 11.540 1.00 0.00 H ATOM 284 H SER A 598 -1.461 18.847 10.466 1.00 0.00 H ATOM 285 N ALA A 599 -0.790 16.142 11.705 1.00 52.02 N ATOM 286 CA ALA A 599 -0.255 14.857 11.523 1.00 33.24 C ATOM 287 C ALA A 599 -0.052 14.805 10.029 1.00 25.43 C ATOM 288 O ALA A 599 -0.325 15.818 9.360 1.00 11.42 O ATOM 289 CB ALA A 599 -1.243 13.784 11.976 1.00 54.44 C ATOM 290 HA ALA A 599 0.654 14.676 12.097 1.00 0.00 H ATOM 291 HB1 ALA A 599 -1.469 13.923 13.033 1.00 0.00 H ATOM 292 HB2 ALA A 599 -2.160 13.867 11.393 1.00 0.00 H ATOM 293 HB3 ALA A 599 -0.802 12.799 11.824 1.00 0.00 H ATOM 294 H ALA A 599 -1.119 16.616 10.840 1.00 0.00 H ATOM 295 N GLY A 600 0.386 13.721 9.498 1.00 55.12 N ATOM 296 CA GLY A 600 0.544 13.636 8.064 1.00 63.45 C ATOM 297 C GLY A 600 -0.813 13.542 7.423 1.00 5.22 C ATOM 298 O GLY A 600 -1.206 14.402 6.629 1.00 33.33 O ATOM 299 HA3 GLY A 600 1.128 12.751 7.813 1.00 0.00 H ATOM 300 HA2 GLY A 600 1.059 14.525 7.700 1.00 0.00 H ATOM 301 H GLY A 600 0.626 12.906 10.098 1.00 0.00 H ATOM 302 N LEU A 601 -1.521 12.501 7.782 1.00 1.40 N ATOM 303 CA LEU A 601 -2.900 12.288 7.375 1.00 44.30 C ATOM 304 C LEU A 601 -3.781 12.242 8.591 1.00 34.05 C ATOM 305 O LEU A 601 -4.946 12.654 8.550 1.00 12.25 O ATOM 306 CB LEU A 601 -3.086 10.987 6.583 1.00 41.30 C ATOM 307 CG LEU A 601 -2.684 10.982 5.106 1.00 1.21 C ATOM 308 CD1 LEU A 601 -1.213 11.189 4.917 1.00 3.42 C ATOM 309 CD2 LEU A 601 -3.137 9.703 4.451 1.00 32.11 C ATOM 310 HA LEU A 601 -3.174 13.119 6.724 1.00 0.00 H ATOM 311 HB2 LEU A 601 -2.498 10.216 7.082 1.00 0.00 H ATOM 312 HB3 LEU A 601 -4.143 10.725 6.633 1.00 0.00 H ATOM 313 HG LEU A 601 -3.183 11.824 4.625 1.00 0.00 H ATOM 314 HD21 LEU A 601 -2.671 8.855 4.952 1.00 0.00 H ATOM 315 HD22 LEU A 601 -4.221 9.621 4.528 1.00 0.00 H ATOM 316 HD23 LEU A 601 -2.845 9.711 3.401 1.00 0.00 H ATOM 317 HD11 LEU A 601 -0.925 12.150 5.343 1.00 0.00 H ATOM 318 HD12 LEU A 601 -0.667 10.390 5.419 1.00 0.00 H ATOM 319 HD13 LEU A 601 -0.980 11.177 3.852 1.00 0.00 H ATOM 320 H LEU A 601 -1.072 11.788 8.392 1.00 0.00 H ATOM 321 N GLY A 602 -3.231 11.715 9.653 1.00 10.14 N ATOM 322 CA GLY A 602 -3.910 11.611 10.872 1.00 43.13 C ATOM 323 C GLY A 602 -4.517 10.263 11.021 1.00 4.41 C ATOM 324 O GLY A 602 -5.658 10.126 11.442 1.00 32.21 O ATOM 325 HA3 GLY A 602 -4.697 12.364 10.909 1.00 0.00 H ATOM 326 HA2 GLY A 602 -3.208 11.780 11.689 1.00 0.00 H ATOM 327 H GLY A 602 -2.255 11.361 9.590 1.00 0.00 H ATOM 328 N VAL A 603 -3.791 9.250 10.633 1.00 34.23 N ATOM 329 CA VAL A 603 -4.255 7.920 10.854 1.00 2.34 C ATOM 330 C VAL A 603 -3.145 7.166 11.543 1.00 53.12 C ATOM 331 O VAL A 603 -1.971 7.475 11.366 1.00 44.41 O ATOM 332 CB VAL A 603 -4.586 7.185 9.507 1.00 3.10 C ATOM 333 CG1 VAL A 603 -5.305 5.875 9.746 1.00 62.40 C ATOM 334 CG2 VAL A 603 -5.355 8.065 8.539 1.00 12.44 C ATOM 335 HA VAL A 603 -5.167 7.958 11.450 1.00 0.00 H ATOM 336 HB VAL A 603 -3.629 6.958 9.038 1.00 0.00 H ATOM 337 HG11 VAL A 603 -4.675 5.221 10.349 1.00 0.00 H ATOM 338 HG12 VAL A 603 -6.240 6.066 10.272 1.00 0.00 H ATOM 339 HG13 VAL A 603 -5.516 5.398 8.789 1.00 0.00 H ATOM 340 HG21 VAL A 603 -6.296 8.370 8.996 1.00 0.00 H ATOM 341 HG22 VAL A 603 -4.762 8.948 8.303 1.00 0.00 H ATOM 342 HG23 VAL A 603 -5.557 7.507 7.625 1.00 0.00 H ATOM 343 H VAL A 603 -2.877 9.412 10.164 1.00 0.00 H ATOM 344 N SER A 604 -3.493 6.207 12.316 1.00 43.52 N ATOM 345 CA SER A 604 -2.541 5.358 12.901 1.00 42.35 C ATOM 346 C SER A 604 -2.759 3.993 12.340 1.00 12.25 C ATOM 347 O SER A 604 -3.905 3.502 12.301 1.00 12.21 O ATOM 348 CB SER A 604 -2.689 5.335 14.420 1.00 1.34 C ATOM 349 OG SER A 604 -2.551 6.632 14.964 1.00 43.23 O ATOM 350 HA SER A 604 -1.534 5.713 12.680 1.00 0.00 H ATOM 351 HB2 SER A 604 -1.921 4.688 14.843 1.00 0.00 H ATOM 352 HB3 SER A 604 -3.674 4.944 14.676 1.00 0.00 H ATOM 353 HG SER A 604 -2.651 6.588 15.948 1.00 0.00 H ATOM 354 H SER A 604 -4.502 6.054 12.515 1.00 0.00 H ATOM 355 N VAL A 605 -1.718 3.393 11.899 1.00 4.24 N ATOM 356 CA VAL A 605 -1.768 2.070 11.387 1.00 41.34 C ATOM 357 C VAL A 605 -0.793 1.184 12.100 1.00 43.05 C ATOM 358 O VAL A 605 0.117 1.659 12.740 1.00 23.43 O ATOM 359 CB VAL A 605 -1.518 1.994 9.871 1.00 33.21 C ATOM 360 CG1 VAL A 605 -2.733 2.446 9.098 1.00 30.41 C ATOM 361 CG2 VAL A 605 -0.308 2.831 9.449 1.00 4.04 C ATOM 362 HA VAL A 605 -2.785 1.721 11.565 1.00 0.00 H ATOM 363 HB VAL A 605 -1.312 0.949 9.640 1.00 0.00 H ATOM 364 HG11 VAL A 605 -3.579 1.805 9.346 1.00 0.00 H ATOM 365 HG12 VAL A 605 -2.968 3.477 9.363 1.00 0.00 H ATOM 366 HG13 VAL A 605 -2.527 2.382 8.030 1.00 0.00 H ATOM 367 HG21 VAL A 605 -0.479 3.874 9.715 1.00 0.00 H ATOM 368 HG22 VAL A 605 0.582 2.465 9.961 1.00 0.00 H ATOM 369 HG23 VAL A 605 -0.169 2.748 8.371 1.00 0.00 H ATOM 370 H VAL A 605 -0.805 3.891 11.916 1.00 0.00 H ATOM 371 N LYS A 606 -1.020 -0.073 12.032 1.00 13.44 N ATOM 372 CA LYS A 606 -0.125 -1.053 12.621 1.00 14.33 C ATOM 373 C LYS A 606 -0.188 -2.321 11.820 1.00 62.54 C ATOM 374 O LYS A 606 -1.197 -2.592 11.167 1.00 32.40 O ATOM 375 CB LYS A 606 -0.397 -1.355 14.119 1.00 31.44 C ATOM 376 CG LYS A 606 -1.689 -2.115 14.427 1.00 11.43 C ATOM 377 CD LYS A 606 -1.712 -2.538 15.891 1.00 52.21 C ATOM 378 CE LYS A 606 -2.894 -3.458 16.229 1.00 42.23 C ATOM 379 NZ LYS A 606 -4.212 -2.813 16.057 1.00 50.21 N ATOM 380 HA LYS A 606 0.873 -0.617 12.590 1.00 0.00 H ATOM 381 HB2 LYS A 606 0.437 -1.947 14.497 1.00 0.00 H ATOM 382 HB3 LYS A 606 -0.435 -0.404 14.650 1.00 0.00 H ATOM 383 HG2 LYS A 606 -2.544 -1.470 14.224 1.00 0.00 H ATOM 384 HG3 LYS A 606 -1.746 -3.001 13.795 1.00 0.00 H ATOM 385 HD2 LYS A 606 -0.785 -3.066 16.115 1.00 0.00 H ATOM 386 HD3 LYS A 606 -1.779 -1.644 16.511 1.00 0.00 H ATOM 387 HE2 LYS A 606 -2.798 -3.776 17.267 1.00 0.00 H ATOM 388 HE3 LYS A 606 -2.849 -4.331 15.578 1.00 0.00 H ATOM 389 HZ1 LYS A 606 -4.275 -1.983 16.681 1.00 0.00 H ATOM 390 HZ2 LYS A 606 -4.323 -2.513 15.067 1.00 0.00 H ATOM 391 HZ3 LYS A 606 -4.963 -3.490 16.302 1.00 0.00 H ATOM 392 H LYS A 606 -1.874 -0.404 11.539 1.00 0.00 H ATOM 393 N GLY A 607 0.861 -3.077 11.836 1.00 50.12 N ATOM 394 CA GLY A 607 0.850 -4.315 11.116 1.00 61.12 C ATOM 395 C GLY A 607 0.825 -5.482 12.045 1.00 25.41 C ATOM 396 O GLY A 607 1.411 -5.437 13.127 1.00 43.41 O ATOM 397 HA3 GLY A 607 1.745 -4.373 10.496 1.00 0.00 H ATOM 398 HA2 GLY A 607 -0.034 -4.348 10.480 1.00 0.00 H ATOM 399 H GLY A 607 1.707 -2.788 12.368 1.00 0.00 H ATOM 400 N ASN A 608 0.150 -6.519 11.643 1.00 4.24 N ATOM 401 CA ASN A 608 0.043 -7.712 12.458 1.00 14.44 C ATOM 402 C ASN A 608 0.555 -8.899 11.659 1.00 12.25 C ATOM 403 O ASN A 608 0.585 -8.855 10.419 1.00 14.40 O ATOM 404 CB ASN A 608 -1.423 -7.942 12.892 1.00 51.42 C ATOM 405 CG ASN A 608 -1.591 -9.088 13.896 1.00 1.52 C ATOM 406 OD1 ASN A 608 -0.691 -9.383 14.694 1.00 32.25 O ATOM 407 ND2 ASN A 608 -2.738 -9.715 13.881 1.00 23.04 N ATOM 408 HA ASN A 608 0.643 -7.593 13.360 1.00 0.00 H ATOM 409 HB2 ASN A 608 -1.796 -7.025 13.349 1.00 0.00 H ATOM 410 HB3 ASN A 608 -2.014 -8.171 12.005 1.00 0.00 H ATOM 411 HD22 ASN A 608 -3.472 -9.441 13.197 1.00 0.00 H ATOM 412 HD21 ASN A 608 -2.917 -10.488 14.553 1.00 0.00 H ATOM 413 H ASN A 608 -0.323 -6.491 10.717 1.00 0.00 H ATOM 414 N ARG A 609 1.008 -9.914 12.335 1.00 3.51 N ATOM 415 CA ARG A 609 1.467 -11.128 11.699 1.00 2.55 C ATOM 416 C ARG A 609 0.695 -12.286 12.204 1.00 4.52 C ATOM 417 O ARG A 609 0.330 -12.328 13.373 1.00 72.42 O ATOM 418 CB ARG A 609 2.952 -11.367 11.966 1.00 31.23 C ATOM 419 CG ARG A 609 3.846 -10.359 11.325 1.00 41.34 C ATOM 420 CD ARG A 609 5.274 -10.486 11.801 1.00 3.43 C ATOM 421 NE ARG A 609 6.089 -9.411 11.243 1.00 33.35 N ATOM 422 CZ ARG A 609 6.252 -8.226 11.831 1.00 0.11 C ATOM 423 NH1 ARG A 609 5.739 -8.000 13.025 1.00 44.04 N ATOM 424 NH2 ARG A 609 6.945 -7.270 11.235 1.00 35.40 N ATOM 425 HA ARG A 609 1.317 -11.017 10.625 1.00 0.00 H ATOM 426 HB2 ARG A 609 3.117 -11.339 13.043 1.00 0.00 H ATOM 427 HB3 ARG A 609 3.216 -12.353 11.585 1.00 0.00 H ATOM 428 HG2 ARG A 609 3.821 -10.502 10.245 1.00 0.00 H ATOM 429 HG3 ARG A 609 3.482 -9.361 11.567 1.00 0.00 H ATOM 430 HD2 ARG A 609 5.677 -11.447 11.481 1.00 0.00 H ATOM 431 HD3 ARG A 609 5.298 -10.428 12.889 1.00 0.00 H ATOM 432 HE ARG A 609 6.569 -9.579 10.336 1.00 0.00 H ATOM 433 HH12 ARG A 609 5.869 -7.074 13.480 1.00 0.00 H ATOM 434 HH11 ARG A 609 5.205 -8.748 13.512 1.00 0.00 H ATOM 435 HH22 ARG A 609 7.067 -6.348 11.701 1.00 0.00 H ATOM 436 HH21 ARG A 609 7.368 -7.440 10.300 1.00 0.00 H ATOM 437 H ARG A 609 1.041 -9.849 13.372 1.00 0.00 H ATOM 438 N SER A 610 0.415 -13.206 11.333 1.00 22.21 N ATOM 439 CA SER A 610 -0.189 -14.429 11.735 1.00 21.54 C ATOM 440 C SER A 610 0.860 -15.207 12.463 1.00 64.21 C ATOM 441 O SER A 610 1.948 -15.433 11.929 1.00 12.22 O ATOM 442 CB SER A 610 -0.640 -15.249 10.533 1.00 23.33 C ATOM 443 OG SER A 610 -1.200 -16.490 10.946 1.00 23.32 O ATOM 444 HA SER A 610 -1.064 -14.220 12.351 1.00 0.00 H ATOM 445 HB2 SER A 610 0.218 -15.441 9.889 1.00 0.00 H ATOM 446 HB3 SER A 610 -1.390 -14.686 9.978 1.00 0.00 H ATOM 447 HG SER A 610 -1.485 -17.004 10.149 1.00 0.00 H ATOM 448 H SER A 610 0.635 -13.047 10.329 1.00 0.00 H ATOM 449 N LYS A 611 0.571 -15.602 13.647 1.00 50.12 N ATOM 450 CA LYS A 611 1.513 -16.355 14.408 1.00 3.42 C ATOM 451 C LYS A 611 1.438 -17.813 14.017 1.00 74.43 C ATOM 452 O LYS A 611 2.376 -18.576 14.220 1.00 12.00 O ATOM 453 CB LYS A 611 1.275 -16.141 15.883 1.00 2.14 C ATOM 454 CG LYS A 611 1.472 -14.703 16.302 1.00 3.11 C ATOM 455 CD LYS A 611 1.211 -14.504 17.769 1.00 23.20 C ATOM 456 CE LYS A 611 1.494 -13.074 18.184 1.00 63.41 C ATOM 457 NZ LYS A 611 2.906 -12.697 17.951 1.00 1.25 N ATOM 458 HA LYS A 611 2.525 -16.011 14.192 1.00 0.00 H ATOM 459 HB2 LYS A 611 0.252 -16.436 16.118 1.00 0.00 H ATOM 460 HB3 LYS A 611 1.970 -16.766 16.443 1.00 0.00 H ATOM 461 HG2 LYS A 611 2.499 -14.410 16.084 1.00 0.00 H ATOM 462 HG3 LYS A 611 0.787 -14.073 15.734 1.00 0.00 H ATOM 463 HD2 LYS A 611 0.167 -14.736 17.980 1.00 0.00 H ATOM 464 HD3 LYS A 611 1.854 -15.174 18.340 1.00 0.00 H ATOM 465 HE2 LYS A 611 1.271 -12.965 19.245 1.00 0.00 H ATOM 466 HE3 LYS A 611 0.852 -12.407 17.609 1.00 0.00 H ATOM 467 HZ1 LYS A 611 3.526 -13.324 18.502 1.00 0.00 H ATOM 468 HZ2 LYS A 611 3.126 -12.791 16.939 1.00 0.00 H ATOM 469 HZ3 LYS A 611 3.054 -11.712 18.249 1.00 0.00 H ATOM 470 H LYS A 611 -0.357 -15.372 14.056 1.00 0.00 H ATOM 471 N GLU A 612 0.324 -18.183 13.426 1.00 34.11 N ATOM 472 CA GLU A 612 0.116 -19.518 12.937 1.00 21.23 C ATOM 473 C GLU A 612 0.771 -19.647 11.561 1.00 64.11 C ATOM 474 O GLU A 612 1.571 -20.546 11.324 1.00 1.44 O ATOM 475 CB GLU A 612 -1.389 -19.809 12.842 1.00 23.01 C ATOM 476 CG GLU A 612 -1.743 -21.237 12.444 1.00 34.52 C ATOM 477 CD GLU A 612 -1.258 -22.258 13.446 1.00 50.14 C ATOM 478 OE1 GLU A 612 -1.851 -22.358 14.545 1.00 65.31 O ATOM 479 OE2 GLU A 612 -0.297 -22.988 13.154 1.00 53.13 O ATOM 480 HA GLU A 612 0.564 -20.239 13.621 1.00 0.00 H ATOM 481 HB2 GLU A 612 -1.835 -19.608 13.816 1.00 0.00 H ATOM 482 HB3 GLU A 612 -1.818 -19.134 12.101 1.00 0.00 H ATOM 483 HG2 GLU A 612 -2.827 -21.318 12.360 1.00 0.00 H ATOM 484 HG3 GLU A 612 -1.288 -21.453 11.477 1.00 0.00 H ATOM 485 H GLU A 612 -0.436 -17.483 13.308 1.00 0.00 H ATOM 486 N ASN A 613 0.450 -18.711 10.670 1.00 12.12 N ATOM 487 CA ASN A 613 0.973 -18.730 9.297 1.00 10.41 C ATOM 488 C ASN A 613 2.424 -18.233 9.244 1.00 13.35 C ATOM 489 O ASN A 613 3.140 -18.502 8.289 1.00 41.32 O ATOM 490 CB ASN A 613 0.059 -17.902 8.354 1.00 61.12 C ATOM 491 CG ASN A 613 0.482 -17.889 6.876 1.00 0.35 C ATOM 492 OD1 ASN A 613 0.272 -16.889 6.176 1.00 14.50 O ATOM 493 ND2 ASN A 613 1.026 -18.986 6.380 1.00 2.21 N ATOM 494 HA ASN A 613 0.972 -19.763 8.950 1.00 0.00 H ATOM 495 HB2 ASN A 613 -0.948 -18.314 8.413 1.00 0.00 H ATOM 496 HB3 ASN A 613 0.050 -16.872 8.711 1.00 0.00 H ATOM 497 HD22 ASN A 613 1.189 -19.809 6.994 1.00 0.00 H ATOM 498 HD21 ASN A 613 1.291 -19.027 5.375 1.00 0.00 H ATOM 499 H ASN A 613 -0.191 -17.943 10.955 1.00 0.00 H ATOM 500 N HIS A 614 2.849 -17.505 10.294 1.00 22.42 N ATOM 501 CA HIS A 614 4.237 -16.968 10.397 1.00 45.50 C ATOM 502 C HIS A 614 4.509 -15.980 9.275 1.00 23.13 C ATOM 503 O HIS A 614 5.643 -15.812 8.816 1.00 40.35 O ATOM 504 CB HIS A 614 5.286 -18.105 10.406 1.00 12.34 C ATOM 505 CG HIS A 614 5.207 -18.986 11.614 1.00 40.41 C ATOM 506 ND1 HIS A 614 4.662 -20.249 11.599 1.00 1.34 N ATOM 507 CD2 HIS A 614 5.615 -18.776 12.885 1.00 34.20 C ATOM 508 CE1 HIS A 614 4.731 -20.774 12.802 1.00 71.21 C ATOM 509 NE2 HIS A 614 5.308 -19.901 13.606 1.00 22.14 N ATOM 510 HA HIS A 614 4.324 -16.441 11.347 1.00 0.00 H ATOM 511 HB2 HIS A 614 5.134 -18.721 9.520 1.00 0.00 H ATOM 512 HB3 HIS A 614 6.279 -17.658 10.370 1.00 0.00 H ATOM 513 HD2 HIS A 614 6.099 -17.877 13.267 1.00 0.00 H ATOM 514 HE1 HIS A 614 4.372 -21.763 13.087 1.00 0.00 H ATOM 515 H HIS A 614 2.181 -17.309 11.066 1.00 0.00 H ATOM 516 N ALA A 615 3.480 -15.276 8.904 1.00 3.22 N ATOM 517 CA ALA A 615 3.525 -14.350 7.825 1.00 54.11 C ATOM 518 C ALA A 615 2.693 -13.167 8.202 1.00 54.02 C ATOM 519 O ALA A 615 1.795 -13.287 9.036 1.00 50.32 O ATOM 520 CB ALA A 615 2.988 -14.997 6.564 1.00 22.40 C ATOM 521 HA ALA A 615 4.551 -14.038 7.630 1.00 0.00 H ATOM 522 HB1 ALA A 615 3.596 -15.867 6.316 1.00 0.00 H ATOM 523 HB2 ALA A 615 1.956 -15.308 6.728 1.00 0.00 H ATOM 524 HB3 ALA A 615 3.027 -14.280 5.744 1.00 0.00 H ATOM 525 H ALA A 615 2.584 -15.395 9.419 1.00 0.00 H ATOM 526 N ASP A 616 2.971 -12.043 7.621 1.00 53.51 N ATOM 527 CA ASP A 616 2.254 -10.834 7.936 1.00 4.31 C ATOM 528 C ASP A 616 0.829 -10.875 7.432 1.00 70.44 C ATOM 529 O ASP A 616 0.513 -11.552 6.446 1.00 42.21 O ATOM 530 CB ASP A 616 2.985 -9.582 7.423 1.00 21.34 C ATOM 531 CG ASP A 616 3.244 -9.609 5.934 1.00 45.15 C ATOM 532 OD1 ASP A 616 4.303 -10.128 5.528 1.00 24.34 O ATOM 533 OD2 ASP A 616 2.400 -9.135 5.161 1.00 0.03 O ATOM 534 HA ASP A 616 2.216 -10.770 9.023 1.00 0.00 H ATOM 535 HB2 ASP A 616 2.377 -8.707 7.653 1.00 0.00 H ATOM 536 HB3 ASP A 616 3.942 -9.504 7.940 1.00 0.00 H ATOM 537 H ASP A 616 3.730 -12.013 6.910 1.00 0.00 H ATOM 538 N LEU A 617 -0.029 -10.203 8.147 1.00 62.22 N ATOM 539 CA LEU A 617 -1.414 -10.054 7.774 1.00 14.11 C ATOM 540 C LEU A 617 -1.567 -8.737 7.053 1.00 35.14 C ATOM 541 O LEU A 617 -2.611 -8.433 6.475 1.00 64.30 O ATOM 542 CB LEU A 617 -2.308 -10.086 9.024 1.00 2.43 C ATOM 543 CG LEU A 617 -2.341 -11.405 9.805 1.00 60.42 C ATOM 544 CD1 LEU A 617 -3.217 -11.272 11.029 1.00 31.31 C ATOM 545 CD2 LEU A 617 -2.851 -12.530 8.927 1.00 1.13 C ATOM 546 HA LEU A 617 -1.718 -10.874 7.123 1.00 0.00 H ATOM 547 HB2 LEU A 617 -1.958 -9.307 9.702 1.00 0.00 H ATOM 548 HB3 LEU A 617 -3.327 -9.861 8.709 1.00 0.00 H ATOM 549 HG LEU A 617 -1.325 -11.639 10.122 1.00 0.00 H ATOM 550 HD21 LEU A 617 -3.859 -12.295 8.586 1.00 0.00 H ATOM 551 HD22 LEU A 617 -2.192 -12.644 8.066 1.00 0.00 H ATOM 552 HD23 LEU A 617 -2.867 -13.457 9.500 1.00 0.00 H ATOM 553 HD11 LEU A 617 -2.821 -10.487 11.674 1.00 0.00 H ATOM 554 HD12 LEU A 617 -4.231 -11.015 10.722 1.00 0.00 H ATOM 555 HD13 LEU A 617 -3.228 -12.218 11.571 1.00 0.00 H ATOM 556 H LEU A 617 0.300 -9.754 9.026 1.00 0.00 H ATOM 557 N GLY A 618 -0.502 -7.973 7.080 1.00 73.50 N ATOM 558 CA GLY A 618 -0.483 -6.694 6.443 1.00 53.34 C ATOM 559 C GLY A 618 -0.676 -5.572 7.425 1.00 62.11 C ATOM 560 O GLY A 618 -0.718 -5.796 8.649 1.00 11.34 O ATOM 561 HA3 GLY A 618 -1.283 -6.657 5.704 1.00 0.00 H ATOM 562 HA2 GLY A 618 0.477 -6.564 5.944 1.00 0.00 H ATOM 563 H GLY A 618 0.349 -8.306 7.577 1.00 0.00 H ATOM 564 N ILE A 619 -0.794 -4.379 6.902 1.00 14.42 N ATOM 565 CA ILE A 619 -0.966 -3.186 7.699 1.00 2.05 C ATOM 566 C ILE A 619 -2.456 -2.862 7.819 1.00 14.33 C ATOM 567 O ILE A 619 -3.187 -2.864 6.813 1.00 62.33 O ATOM 568 CB ILE A 619 -0.215 -1.981 7.050 1.00 50.53 C ATOM 569 CG1 ILE A 619 1.300 -2.265 6.944 1.00 41.04 C ATOM 570 CG2 ILE A 619 -0.459 -0.689 7.819 1.00 42.43 C ATOM 571 CD1 ILE A 619 2.011 -2.437 8.272 1.00 51.45 C ATOM 572 HA ILE A 619 -0.549 -3.362 8.690 1.00 0.00 H ATOM 573 HB ILE A 619 -0.616 -1.854 6.044 1.00 0.00 H ATOM 574 HG12 ILE A 619 1.434 -3.180 6.367 1.00 0.00 H ATOM 575 HG13 ILE A 619 1.765 -1.432 6.416 1.00 0.00 H ATOM 576 HD11 ILE A 619 1.903 -1.526 8.861 1.00 0.00 H ATOM 577 HD12 ILE A 619 1.571 -3.275 8.812 1.00 0.00 H ATOM 578 HD13 ILE A 619 3.068 -2.632 8.094 1.00 0.00 H ATOM 579 HG21 ILE A 619 -1.526 -0.467 7.825 1.00 0.00 H ATOM 580 HG22 ILE A 619 -0.105 -0.805 8.843 1.00 0.00 H ATOM 581 HG23 ILE A 619 0.080 0.127 7.337 1.00 0.00 H ATOM 582 H ILE A 619 -0.763 -4.285 5.867 1.00 0.00 H ATOM 583 N PHE A 620 -2.900 -2.602 9.026 1.00 5.43 N ATOM 584 CA PHE A 620 -4.283 -2.281 9.287 1.00 55.11 C ATOM 585 C PHE A 620 -4.382 -0.987 10.061 1.00 71.34 C ATOM 586 O PHE A 620 -3.460 -0.625 10.804 1.00 64.03 O ATOM 587 CB PHE A 620 -4.955 -3.371 10.123 1.00 25.43 C ATOM 588 CG PHE A 620 -4.972 -4.735 9.518 1.00 53.10 C ATOM 589 CD1 PHE A 620 -6.014 -5.133 8.681 1.00 40.24 C ATOM 590 CD2 PHE A 620 -3.964 -5.645 9.814 1.00 75.35 C ATOM 591 CE1 PHE A 620 -6.040 -6.409 8.158 1.00 11.50 C ATOM 592 CE2 PHE A 620 -3.989 -6.913 9.285 1.00 62.43 C ATOM 593 CZ PHE A 620 -5.027 -7.298 8.459 1.00 24.11 C ATOM 594 HA PHE A 620 -4.781 -2.194 8.321 1.00 0.00 H ATOM 595 HB2 PHE A 620 -4.429 -3.434 11.076 1.00 0.00 H ATOM 596 HB3 PHE A 620 -5.988 -3.070 10.298 1.00 0.00 H ATOM 597 HD2 PHE A 620 -3.146 -5.350 10.472 1.00 0.00 H ATOM 598 HE2 PHE A 620 -3.189 -7.616 9.517 1.00 0.00 H ATOM 599 HZ PHE A 620 -5.047 -8.306 8.044 1.00 0.00 H ATOM 600 HE1 PHE A 620 -6.859 -6.715 7.508 1.00 0.00 H ATOM 601 HD1 PHE A 620 -6.812 -4.432 8.439 1.00 0.00 H ATOM 602 H PHE A 620 -2.232 -2.628 9.823 1.00 0.00 H ATOM 603 N VAL A 621 -5.477 -0.287 9.886 1.00 0.03 N ATOM 604 CA VAL A 621 -5.740 0.915 10.656 1.00 72.11 C ATOM 605 C VAL A 621 -6.063 0.529 12.097 1.00 43.23 C ATOM 606 O VAL A 621 -6.753 -0.444 12.345 1.00 50.31 O ATOM 607 CB VAL A 621 -6.913 1.741 10.067 1.00 11.14 C ATOM 608 CG1 VAL A 621 -7.122 3.029 10.852 1.00 33.13 C ATOM 609 CG2 VAL A 621 -6.661 2.055 8.612 1.00 43.44 C ATOM 610 HA VAL A 621 -4.846 1.538 10.618 1.00 0.00 H ATOM 611 HB VAL A 621 -7.819 1.140 10.146 1.00 0.00 H ATOM 612 HG11 VAL A 621 -7.351 2.787 11.890 1.00 0.00 H ATOM 613 HG12 VAL A 621 -6.214 3.631 10.809 1.00 0.00 H ATOM 614 HG13 VAL A 621 -7.950 3.588 10.417 1.00 0.00 H ATOM 615 HG21 VAL A 621 -5.740 2.631 8.520 1.00 0.00 H ATOM 616 HG22 VAL A 621 -6.566 1.125 8.052 1.00 0.00 H ATOM 617 HG23 VAL A 621 -7.495 2.635 8.217 1.00 0.00 H ATOM 618 H VAL A 621 -6.173 -0.600 9.179 1.00 0.00 H ATOM 619 N LYS A 622 -5.543 1.265 13.015 1.00 13.31 N ATOM 620 CA LYS A 622 -5.768 1.013 14.429 1.00 10.32 C ATOM 621 C LYS A 622 -6.552 2.145 15.075 1.00 51.22 C ATOM 622 O LYS A 622 -7.442 1.909 15.873 1.00 21.24 O ATOM 623 CB LYS A 622 -4.427 0.790 15.128 1.00 71.22 C ATOM 624 CG LYS A 622 -3.410 1.804 14.689 1.00 53.44 C ATOM 625 CD LYS A 622 -2.065 1.708 15.345 1.00 63.43 C ATOM 626 CE LYS A 622 -2.033 2.349 16.728 1.00 10.14 C ATOM 627 NZ LYS A 622 -2.832 1.643 17.759 1.00 54.10 N ATOM 628 HA LYS A 622 -6.371 0.111 14.535 1.00 0.00 H ATOM 629 HB2 LYS A 622 -4.569 0.872 16.206 1.00 0.00 H ATOM 630 HB3 LYS A 622 -4.061 -0.208 14.886 1.00 0.00 H ATOM 631 HG2 LYS A 622 -3.267 1.690 13.614 1.00 0.00 H ATOM 632 HG3 LYS A 622 -3.814 2.795 14.898 1.00 0.00 H ATOM 633 HD2 LYS A 622 -1.800 0.655 15.443 1.00 0.00 H ATOM 634 HD3 LYS A 622 -1.332 2.209 14.712 1.00 0.00 H ATOM 635 HE2 LYS A 622 -2.415 3.366 16.640 1.00 0.00 H ATOM 636 HE3 LYS A 622 -0.997 2.380 17.064 1.00 0.00 H ATOM 637 HZ1 LYS A 622 -3.829 1.615 17.464 1.00 0.00 H ATOM 638 HZ2 LYS A 622 -2.474 0.673 17.869 1.00 0.00 H ATOM 639 HZ3 LYS A 622 -2.751 2.148 18.664 1.00 0.00 H ATOM 640 H LYS A 622 -4.942 2.067 12.736 1.00 0.00 H ATOM 641 N SER A 623 -6.224 3.367 14.722 1.00 41.34 N ATOM 642 CA SER A 623 -6.908 4.507 15.267 1.00 24.22 C ATOM 643 C SER A 623 -6.929 5.618 14.251 1.00 40.11 C ATOM 644 O SER A 623 -5.939 5.836 13.538 1.00 62.43 O ATOM 645 CB SER A 623 -6.233 4.983 16.580 1.00 21.13 C ATOM 646 OG SER A 623 -6.912 6.107 17.159 1.00 34.11 O ATOM 647 HA SER A 623 -7.932 4.220 15.504 1.00 0.00 H ATOM 648 HB2 SER A 623 -5.203 5.267 16.363 1.00 0.00 H ATOM 649 HB3 SER A 623 -6.238 4.161 17.296 1.00 0.00 H ATOM 650 HG SER A 623 -6.450 6.377 17.992 1.00 0.00 H ATOM 651 H SER A 623 -5.456 3.512 14.036 1.00 0.00 H ATOM 652 N ILE A 624 -8.045 6.279 14.145 1.00 13.34 N ATOM 653 CA ILE A 624 -8.161 7.427 13.310 1.00 63.13 C ATOM 654 C ILE A 624 -7.970 8.646 14.157 1.00 21.11 C ATOM 655 O ILE A 624 -8.591 8.784 15.218 1.00 42.21 O ATOM 656 CB ILE A 624 -9.539 7.521 12.568 1.00 63.44 C ATOM 657 CG1 ILE A 624 -9.695 6.433 11.506 1.00 62.05 C ATOM 658 CG2 ILE A 624 -9.734 8.887 11.932 1.00 1.41 C ATOM 659 CD1 ILE A 624 -9.774 5.027 12.021 1.00 44.15 C ATOM 660 HA ILE A 624 -7.397 7.349 12.536 1.00 0.00 H ATOM 661 HB ILE A 624 -10.307 7.370 13.326 1.00 0.00 H ATOM 662 HG12 ILE A 624 -10.609 6.637 10.949 1.00 0.00 H ATOM 663 HG13 ILE A 624 -8.839 6.496 10.834 1.00 0.00 H ATOM 664 HD11 ILE A 624 -8.862 4.791 12.569 1.00 0.00 H ATOM 665 HD12 ILE A 624 -10.634 4.932 12.685 1.00 0.00 H ATOM 666 HD13 ILE A 624 -9.883 4.340 11.182 1.00 0.00 H ATOM 667 HG21 ILE A 624 -9.704 9.654 12.706 1.00 0.00 H ATOM 668 HG22 ILE A 624 -8.938 9.067 11.209 1.00 0.00 H ATOM 669 HG23 ILE A 624 -10.699 8.917 11.426 1.00 0.00 H ATOM 670 H ILE A 624 -8.875 5.960 14.685 1.00 0.00 H ATOM 671 N ILE A 625 -7.122 9.510 13.719 1.00 43.31 N ATOM 672 CA ILE A 625 -6.896 10.727 14.418 1.00 43.21 C ATOM 673 C ILE A 625 -7.873 11.747 13.875 1.00 20.10 C ATOM 674 O ILE A 625 -7.788 12.145 12.707 1.00 42.22 O ATOM 675 CB ILE A 625 -5.423 11.217 14.231 1.00 2.13 C ATOM 676 CG1 ILE A 625 -4.452 10.160 14.799 1.00 11.24 C ATOM 677 CG2 ILE A 625 -5.209 12.565 14.911 1.00 54.24 C ATOM 678 CD1 ILE A 625 -2.988 10.479 14.589 1.00 12.24 C ATOM 679 HA ILE A 625 -7.048 10.582 15.488 1.00 0.00 H ATOM 680 HB ILE A 625 -5.226 11.347 13.167 1.00 0.00 H ATOM 681 HG12 ILE A 625 -4.632 10.072 15.870 1.00 0.00 H ATOM 682 HG13 ILE A 625 -4.666 9.206 14.317 1.00 0.00 H ATOM 683 HD11 ILE A 625 -2.784 10.558 13.521 1.00 0.00 H ATOM 684 HD12 ILE A 625 -2.750 11.425 15.076 1.00 0.00 H ATOM 685 HD13 ILE A 625 -2.379 9.684 15.019 1.00 0.00 H ATOM 686 HG21 ILE A 625 -5.883 13.302 14.474 1.00 0.00 H ATOM 687 HG22 ILE A 625 -5.415 12.469 15.977 1.00 0.00 H ATOM 688 HG23 ILE A 625 -4.177 12.884 14.766 1.00 0.00 H ATOM 689 H ILE A 625 -6.596 9.315 12.843 1.00 0.00 H ATOM 690 N ASN A 626 -8.818 12.155 14.696 1.00 4.13 N ATOM 691 CA ASN A 626 -9.802 13.132 14.263 1.00 43.43 C ATOM 692 C ASN A 626 -9.225 14.508 14.362 1.00 22.41 C ATOM 693 O ASN A 626 -9.416 15.236 15.345 1.00 25.20 O ATOM 694 CB ASN A 626 -11.157 13.007 14.988 1.00 3.44 C ATOM 695 CG ASN A 626 -11.864 11.690 14.689 1.00 2.30 C ATOM 696 OD1 ASN A 626 -12.647 11.587 13.741 1.00 5.20 O ATOM 697 ND2 ASN A 626 -11.601 10.680 15.487 1.00 73.23 N ATOM 698 HA ASN A 626 -10.033 12.923 13.218 1.00 0.00 H ATOM 699 HB2 ASN A 626 -10.986 13.075 16.062 1.00 0.00 H ATOM 700 HB3 ASN A 626 -11.800 13.828 14.671 1.00 0.00 H ATOM 701 HD22 ASN A 626 -10.936 10.801 16.277 1.00 0.00 H ATOM 702 HD21 ASN A 626 -12.058 9.759 15.329 1.00 0.00 H ATOM 703 H ASN A 626 -8.860 11.774 15.663 1.00 0.00 H ATOM 704 N GLY A 627 -8.437 14.800 13.387 1.00 11.45 N ATOM 705 CA GLY A 627 -7.742 16.029 13.287 1.00 34.00 C ATOM 706 C GLY A 627 -6.671 15.885 12.259 1.00 71.24 C ATOM 707 O GLY A 627 -5.506 16.193 12.506 1.00 23.34 O ATOM 708 HA3 GLY A 627 -7.297 16.279 14.250 1.00 0.00 H ATOM 709 HA2 GLY A 627 -8.432 16.819 12.991 1.00 0.00 H ATOM 710 H GLY A 627 -8.304 14.096 12.633 1.00 0.00 H ATOM 711 N GLY A 628 -7.066 15.352 11.126 1.00 64.03 N ATOM 712 CA GLY A 628 -6.181 15.143 10.028 1.00 31.20 C ATOM 713 C GLY A 628 -6.980 14.997 8.770 1.00 70.44 C ATOM 714 O GLY A 628 -8.106 14.477 8.812 1.00 4.24 O ATOM 715 HA3 GLY A 628 -5.598 14.238 10.197 1.00 0.00 H ATOM 716 HA2 GLY A 628 -5.508 15.995 9.935 1.00 0.00 H ATOM 717 H GLY A 628 -8.062 15.072 11.026 1.00 0.00 H ATOM 718 N ALA A 629 -6.423 15.433 7.666 1.00 44.10 N ATOM 719 CA ALA A 629 -7.101 15.457 6.370 1.00 62.11 C ATOM 720 C ALA A 629 -7.730 14.113 5.959 1.00 74.10 C ATOM 721 O ALA A 629 -8.845 14.089 5.436 1.00 12.55 O ATOM 722 CB ALA A 629 -6.158 15.967 5.301 1.00 12.42 C ATOM 723 HA ALA A 629 -7.942 16.142 6.478 1.00 0.00 H ATOM 724 HB1 ALA A 629 -5.834 16.976 5.555 1.00 0.00 H ATOM 725 HB2 ALA A 629 -5.290 15.310 5.240 1.00 0.00 H ATOM 726 HB3 ALA A 629 -6.673 15.981 4.340 1.00 0.00 H ATOM 727 H ALA A 629 -5.444 15.781 7.714 1.00 0.00 H ATOM 728 N ALA A 630 -7.035 13.000 6.208 1.00 23.13 N ATOM 729 CA ALA A 630 -7.548 11.671 5.839 1.00 52.03 C ATOM 730 C ALA A 630 -8.786 11.338 6.603 1.00 25.14 C ATOM 731 O ALA A 630 -9.670 10.639 6.113 1.00 55.55 O ATOM 732 CB ALA A 630 -6.507 10.603 6.050 1.00 13.13 C ATOM 733 HA ALA A 630 -7.795 11.705 4.778 1.00 0.00 H ATOM 734 HB1 ALA A 630 -5.634 10.821 5.434 1.00 0.00 H ATOM 735 HB2 ALA A 630 -6.216 10.583 7.100 1.00 0.00 H ATOM 736 HB3 ALA A 630 -6.920 9.634 5.768 1.00 0.00 H ATOM 737 H ALA A 630 -6.108 13.074 6.674 1.00 0.00 H ATOM 738 N SER A 631 -8.858 11.849 7.776 1.00 72.33 N ATOM 739 CA SER A 631 -9.995 11.630 8.608 1.00 42.45 C ATOM 740 C SER A 631 -11.131 12.509 8.125 1.00 0.41 C ATOM 741 O SER A 631 -12.244 12.032 7.897 1.00 43.40 O ATOM 742 CB SER A 631 -9.654 11.950 10.069 1.00 42.13 C ATOM 743 OG SER A 631 -10.768 11.737 10.922 1.00 52.34 O ATOM 744 HA SER A 631 -10.295 10.584 8.552 1.00 0.00 H ATOM 745 HB2 SER A 631 -9.347 12.993 10.141 1.00 0.00 H ATOM 746 HB3 SER A 631 -8.834 11.308 10.390 1.00 0.00 H ATOM 747 HG SER A 631 -10.514 11.952 11.854 1.00 0.00 H ATOM 748 H SER A 631 -8.073 12.434 8.127 1.00 0.00 H ATOM 749 N LYS A 632 -10.819 13.776 7.910 1.00 40.51 N ATOM 750 CA LYS A 632 -11.804 14.768 7.533 1.00 53.12 C ATOM 751 C LYS A 632 -12.412 14.447 6.163 1.00 1.22 C ATOM 752 O LYS A 632 -13.637 14.380 6.012 1.00 14.40 O ATOM 753 CB LYS A 632 -11.107 16.146 7.480 1.00 21.12 C ATOM 754 CG LYS A 632 -10.388 16.515 8.775 1.00 72.12 C ATOM 755 CD LYS A 632 -9.563 17.795 8.654 1.00 44.33 C ATOM 756 CE LYS A 632 -10.415 19.037 8.488 1.00 4.32 C ATOM 757 NZ LYS A 632 -9.576 20.254 8.370 1.00 32.11 N ATOM 758 HA LYS A 632 -12.611 14.771 8.266 1.00 0.00 H ATOM 759 HB2 LYS A 632 -10.376 16.133 6.671 1.00 0.00 H ATOM 760 HB3 LYS A 632 -11.860 16.906 7.275 1.00 0.00 H ATOM 761 HG2 LYS A 632 -11.132 16.654 9.559 1.00 0.00 H ATOM 762 HG3 LYS A 632 -9.722 15.697 9.049 1.00 0.00 H ATOM 763 HD2 LYS A 632 -8.959 17.906 9.555 1.00 0.00 H ATOM 764 HD3 LYS A 632 -8.907 17.705 7.788 1.00 0.00 H ATOM 765 HE2 LYS A 632 -11.068 19.138 9.355 1.00 0.00 H ATOM 766 HE3 LYS A 632 -11.021 18.935 7.588 1.00 0.00 H ATOM 767 HZ1 LYS A 632 -8.999 20.360 9.229 1.00 0.00 H ATOM 768 HZ2 LYS A 632 -8.954 20.166 7.541 1.00 0.00 H ATOM 769 HZ3 LYS A 632 -10.189 21.087 8.258 1.00 0.00 H ATOM 770 H LYS A 632 -9.827 14.071 8.016 1.00 0.00 H ATOM 771 N ASP A 633 -11.563 14.245 5.179 1.00 63.11 N ATOM 772 CA ASP A 633 -12.017 13.980 3.818 1.00 12.02 C ATOM 773 C ASP A 633 -12.427 12.519 3.612 1.00 61.31 C ATOM 774 O ASP A 633 -13.539 12.227 3.157 1.00 2.03 O ATOM 775 CB ASP A 633 -10.931 14.359 2.807 1.00 23.21 C ATOM 776 CG ASP A 633 -11.405 14.253 1.373 1.00 1.03 C ATOM 777 OD1 ASP A 633 -11.552 13.143 0.853 1.00 4.31 O ATOM 778 OD2 ASP A 633 -11.664 15.300 0.747 1.00 54.05 O ATOM 779 HA ASP A 633 -12.901 14.597 3.656 1.00 0.00 H ATOM 780 HB2 ASP A 633 -10.621 15.386 2.997 1.00 0.00 H ATOM 781 HB3 ASP A 633 -10.079 13.692 2.943 1.00 0.00 H ATOM 782 H ASP A 633 -10.542 14.275 5.376 1.00 0.00 H ATOM 783 N GLY A 634 -11.527 11.612 3.978 1.00 70.21 N ATOM 784 CA GLY A 634 -11.695 10.201 3.678 1.00 12.44 C ATOM 785 C GLY A 634 -12.727 9.497 4.521 1.00 4.14 C ATOM 786 O GLY A 634 -13.501 8.688 3.992 1.00 54.33 O ATOM 787 HA3 GLY A 634 -10.736 9.705 3.829 1.00 0.00 H ATOM 788 HA2 GLY A 634 -11.989 10.108 2.633 1.00 0.00 H ATOM 789 H GLY A 634 -10.679 11.921 4.494 1.00 0.00 H ATOM 790 N ARG A 635 -12.740 9.786 5.835 1.00 45.05 N ATOM 791 CA ARG A 635 -13.697 9.152 6.773 1.00 12.14 C ATOM 792 C ARG A 635 -13.482 7.630 6.861 1.00 13.21 C ATOM 793 O ARG A 635 -14.427 6.882 7.088 1.00 43.10 O ATOM 794 CB ARG A 635 -15.150 9.455 6.351 1.00 42.50 C ATOM 795 CG ARG A 635 -15.602 10.910 6.495 1.00 43.12 C ATOM 796 CD ARG A 635 -15.869 11.314 7.956 1.00 42.54 C ATOM 797 NE ARG A 635 -14.679 11.291 8.821 1.00 65.11 N ATOM 798 CZ ARG A 635 -14.709 11.246 10.163 1.00 24.45 C ATOM 799 NH1 ARG A 635 -15.871 11.143 10.804 1.00 60.03 N ATOM 800 NH2 ARG A 635 -13.577 11.300 10.861 1.00 43.33 N ATOM 801 HA ARG A 635 -13.515 9.576 7.761 1.00 0.00 H ATOM 802 HB2 ARG A 635 -15.259 9.174 5.303 1.00 0.00 H ATOM 803 HB3 ARG A 635 -15.810 8.839 6.961 1.00 0.00 H ATOM 804 HG2 ARG A 635 -14.823 11.558 6.092 1.00 0.00 H ATOM 805 HG3 ARG A 635 -16.520 11.047 5.923 1.00 0.00 H ATOM 806 HD2 ARG A 635 -16.606 10.626 8.371 1.00 0.00 H ATOM 807 HD3 ARG A 635 -16.275 12.326 7.961 1.00 0.00 H ATOM 808 HE ARG A 635 -13.747 11.311 8.360 1.00 0.00 H ATOM 809 HH12 ARG A 635 -15.890 11.108 11.843 1.00 0.00 H ATOM 810 HH11 ARG A 635 -16.760 11.097 10.266 1.00 0.00 H ATOM 811 HH22 ARG A 635 -13.605 11.265 11.900 1.00 0.00 H ATOM 812 HH21 ARG A 635 -12.665 11.377 10.367 1.00 0.00 H ATOM 813 H ARG A 635 -12.056 10.477 6.205 1.00 0.00 H ATOM 814 N LEU A 636 -12.237 7.180 6.716 1.00 21.40 N ATOM 815 CA LEU A 636 -11.941 5.753 6.818 1.00 43.52 C ATOM 816 C LEU A 636 -12.106 5.169 8.246 1.00 73.00 C ATOM 817 O LEU A 636 -12.293 5.907 9.218 1.00 52.11 O ATOM 818 CB LEU A 636 -10.634 5.328 6.085 1.00 15.22 C ATOM 819 CG LEU A 636 -9.383 6.201 6.243 1.00 32.23 C ATOM 820 CD1 LEU A 636 -8.925 6.305 7.690 1.00 12.23 C ATOM 821 CD2 LEU A 636 -8.256 5.678 5.353 1.00 13.21 C ATOM 822 HA LEU A 636 -12.733 5.264 6.251 1.00 0.00 H ATOM 823 HB2 LEU A 636 -10.376 4.330 6.441 1.00 0.00 H ATOM 824 HB3 LEU A 636 -10.863 5.285 5.020 1.00 0.00 H ATOM 825 HG LEU A 636 -9.649 7.209 5.925 1.00 0.00 H ATOM 826 HD21 LEU A 636 -8.015 4.654 5.638 1.00 0.00 H ATOM 827 HD22 LEU A 636 -8.577 5.700 4.312 1.00 0.00 H ATOM 828 HD23 LEU A 636 -7.375 6.308 5.476 1.00 0.00 H ATOM 829 HD11 LEU A 636 -9.721 6.745 8.291 1.00 0.00 H ATOM 830 HD12 LEU A 636 -8.691 5.310 8.068 1.00 0.00 H ATOM 831 HD13 LEU A 636 -8.036 6.934 7.744 1.00 0.00 H ATOM 832 H LEU A 636 -11.466 7.852 6.528 1.00 0.00 H ATOM 833 N ARG A 637 -12.024 3.861 8.340 1.00 25.34 N ATOM 834 CA ARG A 637 -12.380 3.109 9.554 1.00 43.12 C ATOM 835 C ARG A 637 -11.192 2.418 10.205 1.00 62.22 C ATOM 836 O ARG A 637 -10.095 2.357 9.648 1.00 52.53 O ATOM 837 CB ARG A 637 -13.380 2.039 9.154 1.00 3.33 C ATOM 838 CG ARG A 637 -12.831 1.204 8.030 1.00 72.10 C ATOM 839 CD ARG A 637 -13.781 0.183 7.510 1.00 64.42 C ATOM 840 NE ARG A 637 -13.410 -0.111 6.151 1.00 40.02 N ATOM 841 CZ ARG A 637 -14.088 0.274 5.101 1.00 43.24 C ATOM 842 NH1 ARG A 637 -15.323 0.753 5.227 1.00 54.43 N ATOM 843 NH2 ARG A 637 -13.522 0.174 3.917 1.00 63.21 N ATOM 844 HA ARG A 637 -12.779 3.820 10.278 1.00 0.00 H ATOM 845 HB2 ARG A 637 -13.584 1.398 10.012 1.00 0.00 H ATOM 846 HB3 ARG A 637 -14.306 2.515 8.830 1.00 0.00 H ATOM 847 HG2 ARG A 637 -12.560 1.869 7.210 1.00 0.00 H ATOM 848 HG3 ARG A 637 -11.939 0.690 8.389 1.00 0.00 H ATOM 849 HD2 ARG A 637 -14.798 0.573 7.541 1.00 0.00 H ATOM 850 HD3 ARG A 637 -13.721 -0.722 8.115 1.00 0.00 H ATOM 851 HE ARG A 637 -12.545 -0.667 5.993 1.00 0.00 H ATOM 852 HH12 ARG A 637 -15.852 1.056 4.384 1.00 0.00 H ATOM 853 HH11 ARG A 637 -15.759 0.825 6.168 1.00 0.00 H ATOM 854 HH22 ARG A 637 -14.040 0.473 3.066 1.00 0.00 H ATOM 855 HH21 ARG A 637 -12.557 -0.204 3.832 1.00 0.00 H ATOM 856 H ARG A 637 -11.689 3.328 7.512 1.00 0.00 H ATOM 857 N VAL A 638 -11.452 1.873 11.381 1.00 43.23 N ATOM 858 CA VAL A 638 -10.499 1.113 12.156 1.00 34.34 C ATOM 859 C VAL A 638 -10.474 -0.347 11.669 1.00 2.21 C ATOM 860 O VAL A 638 -11.510 -0.914 11.330 1.00 43.21 O ATOM 861 CB VAL A 638 -10.882 1.131 13.674 1.00 74.32 C ATOM 862 CG1 VAL A 638 -9.905 0.320 14.510 1.00 12.13 C ATOM 863 CG2 VAL A 638 -10.972 2.552 14.206 1.00 34.24 C ATOM 864 HA VAL A 638 -9.517 1.567 12.027 1.00 0.00 H ATOM 865 HB VAL A 638 -11.865 0.668 13.757 1.00 0.00 H ATOM 866 HG11 VAL A 638 -9.907 -0.715 14.167 1.00 0.00 H ATOM 867 HG12 VAL A 638 -8.904 0.737 14.403 1.00 0.00 H ATOM 868 HG13 VAL A 638 -10.206 0.358 15.557 1.00 0.00 H ATOM 869 HG21 VAL A 638 -10.007 3.045 14.086 1.00 0.00 H ATOM 870 HG22 VAL A 638 -11.733 3.099 13.650 1.00 0.00 H ATOM 871 HG23 VAL A 638 -11.240 2.527 15.262 1.00 0.00 H ATOM 872 H VAL A 638 -12.406 2.000 11.774 1.00 0.00 H ATOM 873 N ASN A 639 -9.275 -0.920 11.641 1.00 10.15 N ATOM 874 CA ASN A 639 -8.993 -2.317 11.261 1.00 23.01 C ATOM 875 C ASN A 639 -9.260 -2.559 9.771 1.00 13.23 C ATOM 876 O ASN A 639 -9.504 -3.689 9.327 1.00 51.41 O ATOM 877 CB ASN A 639 -9.734 -3.330 12.173 1.00 74.40 C ATOM 878 CG ASN A 639 -9.237 -4.790 12.015 1.00 73.51 C ATOM 879 OD1 ASN A 639 -10.000 -5.737 12.185 1.00 72.10 O ATOM 880 ND2 ASN A 639 -7.960 -4.977 11.730 1.00 71.23 N ATOM 881 HA ASN A 639 -7.929 -2.489 11.421 1.00 0.00 H ATOM 882 HB2 ASN A 639 -9.591 -3.028 13.211 1.00 0.00 H ATOM 883 HB3 ASN A 639 -10.796 -3.299 11.930 1.00 0.00 H ATOM 884 HD22 ASN A 639 -7.333 -4.159 11.590 1.00 0.00 H ATOM 885 HD21 ASN A 639 -7.582 -5.942 11.645 1.00 0.00 H ATOM 886 H ASN A 639 -8.462 -0.330 11.911 1.00 0.00 H ATOM 887 N ASP A 640 -9.183 -1.496 8.997 1.00 12.02 N ATOM 888 CA ASP A 640 -9.241 -1.634 7.559 1.00 1.03 C ATOM 889 C ASP A 640 -7.827 -2.061 7.103 1.00 54.15 C ATOM 890 O ASP A 640 -6.846 -1.753 7.797 1.00 2.11 O ATOM 891 CB ASP A 640 -9.628 -0.317 6.889 1.00 30.42 C ATOM 892 CG ASP A 640 -9.918 -0.512 5.416 1.00 44.33 C ATOM 893 OD1 ASP A 640 -8.992 -0.660 4.657 1.00 13.30 O ATOM 894 OD2 ASP A 640 -11.109 -0.557 5.037 1.00 3.44 O ATOM 895 HA ASP A 640 -9.996 -2.368 7.278 1.00 0.00 H ATOM 896 HB2 ASP A 640 -10.518 0.081 7.376 1.00 0.00 H ATOM 897 HB3 ASP A 640 -8.807 0.392 6.999 1.00 0.00 H ATOM 898 H ASP A 640 -9.080 -0.553 9.422 1.00 0.00 H ATOM 899 N GLN A 641 -7.715 -2.734 5.987 1.00 52.01 N ATOM 900 CA GLN A 641 -6.446 -3.289 5.531 1.00 42.13 C ATOM 901 C GLN A 641 -5.874 -2.396 4.401 1.00 21.31 C ATOM 902 O GLN A 641 -6.467 -2.284 3.330 1.00 34.45 O ATOM 903 CB GLN A 641 -6.706 -4.741 5.038 1.00 23.22 C ATOM 904 CG GLN A 641 -5.486 -5.680 4.927 1.00 72.33 C ATOM 905 CD GLN A 641 -4.452 -5.279 3.915 1.00 71.33 C ATOM 906 OE1 GLN A 641 -4.532 -5.665 2.761 1.00 44.32 O ATOM 907 NE2 GLN A 641 -3.462 -4.551 4.342 1.00 0.34 N ATOM 908 HA GLN A 641 -5.712 -3.315 6.336 1.00 0.00 H ATOM 909 HB2 GLN A 641 -7.411 -5.201 5.730 1.00 0.00 H ATOM 910 HB3 GLN A 641 -7.160 -4.675 4.049 1.00 0.00 H ATOM 911 HG2 GLN A 641 -5.003 -5.720 5.903 1.00 0.00 H ATOM 912 HG3 GLN A 641 -5.849 -6.673 4.661 1.00 0.00 H ATOM 913 HE22 GLN A 641 -3.433 -4.243 5.335 1.00 0.00 H ATOM 914 HE21 GLN A 641 -2.699 -4.277 3.690 1.00 0.00 H ATOM 915 H GLN A 641 -8.563 -2.879 5.403 1.00 0.00 H ATOM 916 N LEU A 642 -4.729 -1.779 4.658 1.00 43.31 N ATOM 917 CA LEU A 642 -4.091 -0.859 3.703 1.00 13.33 C ATOM 918 C LEU A 642 -3.430 -1.593 2.535 1.00 1.41 C ATOM 919 O LEU A 642 -2.505 -2.402 2.719 1.00 32.45 O ATOM 920 CB LEU A 642 -3.084 0.108 4.389 1.00 20.24 C ATOM 921 CG LEU A 642 -3.645 1.188 5.309 1.00 13.14 C ATOM 922 CD1 LEU A 642 -4.303 0.585 6.530 1.00 41.42 C ATOM 923 CD2 LEU A 642 -2.543 2.143 5.709 1.00 11.33 C ATOM 924 HA LEU A 642 -4.900 -0.254 3.294 1.00 0.00 H ATOM 925 HB2 LEU A 642 -2.401 -0.501 4.981 1.00 0.00 H ATOM 926 HB3 LEU A 642 -2.527 0.612 3.599 1.00 0.00 H ATOM 927 HG LEU A 642 -4.412 1.739 4.765 1.00 0.00 H ATOM 928 HD21 LEU A 642 -1.760 1.594 6.232 1.00 0.00 H ATOM 929 HD22 LEU A 642 -2.127 2.610 4.816 1.00 0.00 H ATOM 930 HD23 LEU A 642 -2.951 2.911 6.366 1.00 0.00 H ATOM 931 HD11 LEU A 642 -5.121 -0.063 6.217 1.00 0.00 H ATOM 932 HD12 LEU A 642 -3.569 0.003 7.087 1.00 0.00 H ATOM 933 HD13 LEU A 642 -4.691 1.383 7.163 1.00 0.00 H ATOM 934 H LEU A 642 -4.263 -1.952 5.571 1.00 0.00 H ATOM 935 N ILE A 643 -3.895 -1.284 1.339 1.00 34.43 N ATOM 936 CA ILE A 643 -3.448 -1.940 0.121 1.00 60.44 C ATOM 937 C ILE A 643 -2.341 -1.145 -0.563 1.00 22.03 C ATOM 938 O ILE A 643 -1.245 -1.670 -0.833 1.00 53.12 O ATOM 939 CB ILE A 643 -4.622 -2.061 -0.883 1.00 62.54 C ATOM 940 CG1 ILE A 643 -5.799 -2.807 -0.265 1.00 70.33 C ATOM 941 CG2 ILE A 643 -4.175 -2.744 -2.174 1.00 45.11 C ATOM 942 CD1 ILE A 643 -5.506 -4.246 0.101 1.00 3.50 C ATOM 943 HA ILE A 643 -3.075 -2.924 0.406 1.00 0.00 H ATOM 944 HB ILE A 643 -4.949 -1.051 -1.128 1.00 0.00 H ATOM 945 HG12 ILE A 643 -6.100 -2.279 0.640 1.00 0.00 H ATOM 946 HG13 ILE A 643 -6.622 -2.798 -0.980 1.00 0.00 H ATOM 947 HD11 ILE A 643 -5.216 -4.796 -0.795 1.00 0.00 H ATOM 948 HD12 ILE A 643 -4.693 -4.277 0.827 1.00 0.00 H ATOM 949 HD13 ILE A 643 -6.398 -4.699 0.533 1.00 0.00 H ATOM 950 HG21 ILE A 643 -3.380 -2.159 -2.636 1.00 0.00 H ATOM 951 HG22 ILE A 643 -3.807 -3.744 -1.946 1.00 0.00 H ATOM 952 HG23 ILE A 643 -5.021 -2.814 -2.858 1.00 0.00 H ATOM 953 H ILE A 643 -4.614 -0.537 1.264 1.00 0.00 H ATOM 954 N ALA A 644 -2.630 0.107 -0.858 1.00 74.34 N ATOM 955 CA ALA A 644 -1.699 0.940 -1.596 1.00 40.22 C ATOM 956 C ALA A 644 -1.735 2.383 -1.123 1.00 71.40 C ATOM 957 O ALA A 644 -2.747 2.847 -0.588 1.00 32.32 O ATOM 958 CB ALA A 644 -2.003 0.861 -3.088 1.00 33.50 C ATOM 959 HA ALA A 644 -0.693 0.563 -1.412 1.00 0.00 H ATOM 960 HB1 ALA A 644 -1.906 -0.172 -3.423 1.00 0.00 H ATOM 961 HB2 ALA A 644 -3.020 1.209 -3.269 1.00 0.00 H ATOM 962 HB3 ALA A 644 -1.300 1.489 -3.635 1.00 0.00 H ATOM 963 H ALA A 644 -3.542 0.505 -0.556 1.00 0.00 H ATOM 964 N VAL A 645 -0.636 3.082 -1.334 1.00 32.04 N ATOM 965 CA VAL A 645 -0.500 4.466 -0.949 1.00 72.32 C ATOM 966 C VAL A 645 0.153 5.260 -2.111 1.00 40.43 C ATOM 967 O VAL A 645 1.188 4.862 -2.643 1.00 74.51 O ATOM 968 CB VAL A 645 0.332 4.610 0.368 1.00 34.14 C ATOM 969 CG1 VAL A 645 1.774 4.125 0.211 1.00 11.12 C ATOM 970 CG2 VAL A 645 0.274 6.024 0.901 1.00 63.34 C ATOM 971 HA VAL A 645 -1.490 4.876 -0.748 1.00 0.00 H ATOM 972 HB VAL A 645 -0.132 3.955 1.105 1.00 0.00 H ATOM 973 HG11 VAL A 645 1.773 3.072 -0.071 1.00 0.00 H ATOM 974 HG12 VAL A 645 2.270 4.709 -0.564 1.00 0.00 H ATOM 975 HG13 VAL A 645 2.303 4.249 1.156 1.00 0.00 H ATOM 976 HG21 VAL A 645 0.680 6.709 0.156 1.00 0.00 H ATOM 977 HG22 VAL A 645 -0.762 6.289 1.113 1.00 0.00 H ATOM 978 HG23 VAL A 645 0.862 6.090 1.816 1.00 0.00 H ATOM 979 H VAL A 645 0.168 2.614 -1.799 1.00 0.00 H ATOM 980 N ASN A 646 -0.482 6.360 -2.509 1.00 30.43 N ATOM 981 CA ASN A 646 -0.043 7.195 -3.664 1.00 63.43 C ATOM 982 C ASN A 646 0.181 6.402 -4.938 1.00 30.44 C ATOM 983 O ASN A 646 0.969 6.790 -5.789 1.00 12.12 O ATOM 984 CB ASN A 646 1.168 8.065 -3.313 1.00 43.02 C ATOM 985 CG ASN A 646 0.751 9.234 -2.471 1.00 51.44 C ATOM 986 OD1 ASN A 646 -0.361 9.718 -2.605 1.00 22.55 O ATOM 987 ND2 ASN A 646 1.609 9.696 -1.607 1.00 53.45 N ATOM 988 HA ASN A 646 -0.878 7.863 -3.877 1.00 0.00 H ATOM 989 HB2 ASN A 646 1.892 7.466 -2.761 1.00 0.00 H ATOM 990 HB3 ASN A 646 1.626 8.430 -4.232 1.00 0.00 H ATOM 991 HD22 ASN A 646 2.548 9.257 -1.521 1.00 0.00 H ATOM 992 HD21 ASN A 646 1.355 10.504 -1.003 1.00 0.00 H ATOM 993 H ASN A 646 -1.331 6.653 -1.985 1.00 0.00 H ATOM 994 N GLY A 647 -0.576 5.332 -5.092 1.00 21.22 N ATOM 995 CA GLY A 647 -0.434 4.483 -6.260 1.00 60.23 C ATOM 996 C GLY A 647 0.568 3.347 -6.065 1.00 34.35 C ATOM 997 O GLY A 647 0.586 2.393 -6.840 1.00 52.45 O ATOM 998 HA3 GLY A 647 -0.101 5.098 -7.096 1.00 0.00 H ATOM 999 HA2 GLY A 647 -1.407 4.050 -6.493 1.00 0.00 H ATOM 1000 H GLY A 647 -1.283 5.094 -4.367 1.00 0.00 H ATOM 1001 N GLU A 648 1.391 3.441 -5.039 1.00 43.23 N ATOM 1002 CA GLU A 648 2.382 2.429 -4.757 1.00 62.02 C ATOM 1003 C GLU A 648 1.763 1.401 -3.821 1.00 11.23 C ATOM 1004 O GLU A 648 1.226 1.754 -2.776 1.00 3.43 O ATOM 1005 CB GLU A 648 3.618 3.076 -4.123 1.00 5.14 C ATOM 1006 CG GLU A 648 4.766 2.130 -3.893 1.00 2.24 C ATOM 1007 CD GLU A 648 5.235 1.482 -5.172 1.00 50.24 C ATOM 1008 OE1 GLU A 648 6.029 2.092 -5.911 1.00 1.15 O ATOM 1009 OE2 GLU A 648 4.815 0.342 -5.453 1.00 4.43 O ATOM 1010 HA GLU A 648 2.698 1.936 -5.676 1.00 0.00 H ATOM 1011 HB2 GLU A 648 3.961 3.875 -4.781 1.00 0.00 H ATOM 1012 HB3 GLU A 648 3.327 3.499 -3.162 1.00 0.00 H ATOM 1013 HG2 GLU A 648 5.596 2.685 -3.455 1.00 0.00 H ATOM 1014 HG3 GLU A 648 4.446 1.351 -3.201 1.00 0.00 H ATOM 1015 H GLU A 648 1.324 4.269 -4.414 1.00 0.00 H ATOM 1016 N SER A 649 1.833 0.155 -4.188 1.00 5.03 N ATOM 1017 CA SER A 649 1.165 -0.880 -3.436 1.00 44.12 C ATOM 1018 C SER A 649 2.074 -1.536 -2.394 1.00 53.14 C ATOM 1019 O SER A 649 3.268 -1.756 -2.630 1.00 72.32 O ATOM 1020 CB SER A 649 0.593 -1.927 -4.394 1.00 21.02 C ATOM 1021 OG SER A 649 -0.323 -1.323 -5.309 1.00 13.44 O ATOM 1022 HA SER A 649 0.353 -0.409 -2.882 1.00 0.00 H ATOM 1023 HB2 SER A 649 0.073 -2.693 -3.819 1.00 0.00 H ATOM 1024 HB3 SER A 649 1.409 -2.385 -4.953 1.00 0.00 H ATOM 1025 HG SER A 649 -0.682 -2.015 -5.920 1.00 0.00 H ATOM 1026 H SER A 649 2.379 -0.099 -5.036 1.00 0.00 H ATOM 1027 N LEU A 650 1.513 -1.821 -1.234 1.00 13.44 N ATOM 1028 CA LEU A 650 2.230 -2.538 -0.201 1.00 23.53 C ATOM 1029 C LEU A 650 1.638 -3.902 0.027 1.00 60.43 C ATOM 1030 O LEU A 650 2.153 -4.680 0.832 1.00 32.12 O ATOM 1031 CB LEU A 650 2.348 -1.787 1.135 1.00 2.03 C ATOM 1032 CG LEU A 650 1.065 -1.243 1.777 1.00 40.21 C ATOM 1033 CD1 LEU A 650 1.318 -0.992 3.238 1.00 51.24 C ATOM 1034 CD2 LEU A 650 0.671 0.070 1.129 1.00 72.11 C ATOM 1035 HA LEU A 650 3.246 -2.635 -0.585 1.00 0.00 H ATOM 1036 HB2 LEU A 650 2.803 -2.471 1.851 1.00 0.00 H ATOM 1037 HB3 LEU A 650 3.013 -0.939 0.972 1.00 0.00 H ATOM 1038 HG LEU A 650 0.265 -1.971 1.642 1.00 0.00 H ATOM 1039 HD21 LEU A 650 1.473 0.795 1.264 1.00 0.00 H ATOM 1040 HD22 LEU A 650 0.498 -0.089 0.065 1.00 0.00 H ATOM 1041 HD23 LEU A 650 -0.241 0.444 1.594 1.00 0.00 H ATOM 1042 HD11 LEU A 650 1.605 -1.926 3.721 1.00 0.00 H ATOM 1043 HD12 LEU A 650 2.122 -0.264 3.346 1.00 0.00 H ATOM 1044 HD13 LEU A 650 0.410 -0.605 3.701 1.00 0.00 H ATOM 1045 H LEU A 650 0.532 -1.523 -1.058 1.00 0.00 H ATOM 1046 N LEU A 651 0.550 -4.190 -0.669 1.00 1.50 N ATOM 1047 CA LEU A 651 -0.064 -5.497 -0.606 1.00 42.12 C ATOM 1048 C LEU A 651 0.890 -6.520 -1.215 1.00 43.44 C ATOM 1049 O LEU A 651 0.956 -6.676 -2.449 1.00 63.31 O ATOM 1050 CB LEU A 651 -1.409 -5.508 -1.358 1.00 63.04 C ATOM 1051 CG LEU A 651 -2.184 -6.837 -1.363 1.00 61.12 C ATOM 1052 CD1 LEU A 651 -2.610 -7.232 0.042 1.00 70.33 C ATOM 1053 CD2 LEU A 651 -3.385 -6.757 -2.293 1.00 24.10 C ATOM 1054 HA LEU A 651 -0.262 -5.750 0.435 1.00 0.00 H ATOM 1055 HB2 LEU A 651 -2.049 -4.753 -0.902 1.00 0.00 H ATOM 1056 HB3 LEU A 651 -1.211 -5.236 -2.395 1.00 0.00 H ATOM 1057 HG LEU A 651 -1.515 -7.613 -1.736 1.00 0.00 H ATOM 1058 HD21 LEU A 651 -4.051 -5.962 -1.957 1.00 0.00 H ATOM 1059 HD22 LEU A 651 -3.045 -6.544 -3.306 1.00 0.00 H ATOM 1060 HD23 LEU A 651 -3.917 -7.708 -2.280 1.00 0.00 H ATOM 1061 HD11 LEU A 651 -1.726 -7.347 0.669 1.00 0.00 H ATOM 1062 HD12 LEU A 651 -3.253 -6.456 0.457 1.00 0.00 H ATOM 1063 HD13 LEU A 651 -3.155 -8.175 0.003 1.00 0.00 H ATOM 1064 H LEU A 651 0.127 -3.459 -1.276 1.00 0.00 H ATOM 1065 N GLY A 652 1.678 -7.137 -0.369 1.00 2.21 N ATOM 1066 CA GLY A 652 2.613 -8.132 -0.814 1.00 64.40 C ATOM 1067 C GLY A 652 3.915 -8.064 -0.060 1.00 52.12 C ATOM 1068 O GLY A 652 4.627 -9.066 0.050 1.00 53.33 O ATOM 1069 HA3 GLY A 652 2.812 -7.978 -1.875 1.00 0.00 H ATOM 1070 HA2 GLY A 652 2.173 -9.118 -0.668 1.00 0.00 H ATOM 1071 H GLY A 652 1.625 -6.902 0.643 1.00 0.00 H ATOM 1072 N LYS A 653 4.237 -6.892 0.457 1.00 34.41 N ATOM 1073 CA LYS A 653 5.462 -6.717 1.227 1.00 71.14 C ATOM 1074 C LYS A 653 5.160 -6.777 2.717 1.00 52.52 C ATOM 1075 O LYS A 653 4.044 -6.458 3.137 1.00 13.43 O ATOM 1076 CB LYS A 653 6.190 -5.409 0.850 1.00 21.35 C ATOM 1077 CG LYS A 653 5.348 -4.147 0.999 1.00 61.43 C ATOM 1078 CD LYS A 653 6.142 -2.872 0.690 1.00 43.04 C ATOM 1079 CE LYS A 653 6.715 -2.845 -0.734 1.00 1.12 C ATOM 1080 NZ LYS A 653 5.666 -2.926 -1.777 1.00 40.05 N ATOM 1081 HA LYS A 653 6.138 -7.536 0.981 1.00 0.00 H ATOM 1082 HB2 LYS A 653 7.066 -5.311 1.491 1.00 0.00 H ATOM 1083 HB3 LYS A 653 6.508 -5.485 -0.190 1.00 0.00 H ATOM 1084 HG2 LYS A 653 4.503 -4.207 0.314 1.00 0.00 H ATOM 1085 HG3 LYS A 653 4.980 -4.091 2.024 1.00 0.00 H ATOM 1086 HD2 LYS A 653 5.481 -2.014 0.814 1.00 0.00 H ATOM 1087 HD3 LYS A 653 6.968 -2.798 1.397 1.00 0.00 H ATOM 1088 HE2 LYS A 653 7.391 -3.691 -0.854 1.00 0.00 H ATOM 1089 HE3 LYS A 653 7.270 -1.916 -0.869 1.00 0.00 H ATOM 1090 HZ1 LYS A 653 5.135 -3.813 -1.665 1.00 0.00 H ATOM 1091 HZ2 LYS A 653 5.019 -2.118 -1.679 1.00 0.00 H ATOM 1092 HZ3 LYS A 653 6.111 -2.904 -2.717 1.00 0.00 H ATOM 1093 H LYS A 653 3.605 -6.079 0.312 1.00 0.00 H ATOM 1094 N ALA A 654 6.143 -7.188 3.501 1.00 33.10 N ATOM 1095 CA ALA A 654 5.982 -7.370 4.945 1.00 44.31 C ATOM 1096 C ALA A 654 5.715 -6.049 5.668 1.00 33.53 C ATOM 1097 O ALA A 654 5.917 -4.981 5.103 1.00 33.01 O ATOM 1098 CB ALA A 654 7.190 -8.079 5.528 1.00 21.30 C ATOM 1099 HA ALA A 654 5.103 -7.996 5.100 1.00 0.00 H ATOM 1100 HB1 ALA A 654 7.299 -9.056 5.057 1.00 0.00 H ATOM 1101 HB2 ALA A 654 8.084 -7.483 5.343 1.00 0.00 H ATOM 1102 HB3 ALA A 654 7.052 -8.205 6.602 1.00 0.00 H ATOM 1103 H ALA A 654 7.069 -7.390 3.074 1.00 0.00 H ATOM 1104 N ASN A 655 5.298 -6.136 6.926 1.00 51.14 N ATOM 1105 CA ASN A 655 4.883 -4.952 7.716 1.00 35.44 C ATOM 1106 C ASN A 655 5.964 -3.892 7.821 1.00 72.43 C ATOM 1107 O ASN A 655 5.701 -2.712 7.591 1.00 64.43 O ATOM 1108 CB ASN A 655 4.400 -5.340 9.123 1.00 31.15 C ATOM 1109 CG ASN A 655 3.209 -6.273 9.112 1.00 63.10 C ATOM 1110 OD1 ASN A 655 2.410 -6.276 8.183 1.00 75.45 O ATOM 1111 ND2 ASN A 655 3.069 -7.054 10.150 1.00 53.03 N ATOM 1112 HA ASN A 655 4.050 -4.519 7.161 1.00 0.00 H ATOM 1113 HB2 ASN A 655 5.220 -5.831 9.647 1.00 0.00 H ATOM 1114 HB3 ASN A 655 4.123 -4.431 9.657 1.00 0.00 H ATOM 1115 HD22 ASN A 655 3.767 -7.025 10.921 1.00 0.00 H ATOM 1116 HD21 ASN A 655 2.260 -7.705 10.206 1.00 0.00 H ATOM 1117 H ASN A 655 5.261 -7.073 7.375 1.00 0.00 H ATOM 1118 N GLN A 656 7.178 -4.298 8.142 1.00 41.23 N ATOM 1119 CA GLN A 656 8.276 -3.348 8.283 1.00 35.23 C ATOM 1120 C GLN A 656 8.648 -2.748 6.925 1.00 74.23 C ATOM 1121 O GLN A 656 9.080 -1.597 6.844 1.00 53.25 O ATOM 1122 CB GLN A 656 9.498 -3.991 8.953 1.00 44.00 C ATOM 1123 CG GLN A 656 9.288 -4.560 10.381 1.00 61.31 C ATOM 1124 CD GLN A 656 9.098 -3.527 11.524 1.00 5.03 C ATOM 1125 OE1 GLN A 656 9.488 -3.794 12.660 1.00 0.34 O ATOM 1126 NE2 GLN A 656 8.505 -2.389 11.264 1.00 42.25 N ATOM 1127 HA GLN A 656 7.936 -2.542 8.933 1.00 0.00 H ATOM 1128 HB2 GLN A 656 9.832 -4.810 8.316 1.00 0.00 H ATOM 1129 HB3 GLN A 656 10.281 -3.234 9.010 1.00 0.00 H ATOM 1130 HG2 GLN A 656 8.401 -5.193 10.357 1.00 0.00 H ATOM 1131 HG3 GLN A 656 10.159 -5.167 10.626 1.00 0.00 H ATOM 1132 HE22 GLN A 656 8.182 -2.180 10.298 1.00 0.00 H ATOM 1133 HE21 GLN A 656 8.357 -1.694 12.024 1.00 0.00 H ATOM 1134 H GLN A 656 7.355 -5.311 8.297 1.00 0.00 H ATOM 1135 N GLU A 657 8.459 -3.530 5.864 1.00 52.54 N ATOM 1136 CA GLU A 657 8.728 -3.061 4.501 1.00 61.33 C ATOM 1137 C GLU A 657 7.699 -2.027 4.148 1.00 30.33 C ATOM 1138 O GLU A 657 8.008 -0.952 3.637 1.00 63.52 O ATOM 1139 CB GLU A 657 8.578 -4.198 3.501 1.00 70.32 C ATOM 1140 CG GLU A 657 9.414 -5.424 3.805 1.00 20.44 C ATOM 1141 CD GLU A 657 10.884 -5.114 3.942 1.00 50.35 C ATOM 1142 OE1 GLU A 657 11.526 -4.733 2.939 1.00 14.51 O ATOM 1143 OE2 GLU A 657 11.419 -5.238 5.054 1.00 4.10 O ATOM 1144 HA GLU A 657 9.743 -2.665 4.462 1.00 0.00 H ATOM 1145 HB2 GLU A 657 7.530 -4.498 3.482 1.00 0.00 H ATOM 1146 HB3 GLU A 657 8.866 -3.826 2.518 1.00 0.00 H ATOM 1147 HG2 GLU A 657 9.062 -5.862 4.739 1.00 0.00 H ATOM 1148 HG3 GLU A 657 9.284 -6.143 2.996 1.00 0.00 H ATOM 1149 H GLU A 657 8.111 -4.500 6.006 1.00 0.00 H ATOM 1150 N ALA A 658 6.465 -2.390 4.439 1.00 10.55 N ATOM 1151 CA ALA A 658 5.304 -1.595 4.180 1.00 24.34 C ATOM 1152 C ALA A 658 5.419 -0.245 4.827 1.00 22.25 C ATOM 1153 O ALA A 658 5.104 0.760 4.213 1.00 32.34 O ATOM 1154 CB ALA A 658 4.098 -2.313 4.703 1.00 74.24 C ATOM 1155 HA ALA A 658 5.211 -1.443 3.105 1.00 0.00 H ATOM 1156 HB1 ALA A 658 4.005 -3.277 4.202 1.00 0.00 H ATOM 1157 HB2 ALA A 658 4.207 -2.469 5.776 1.00 0.00 H ATOM 1158 HB3 ALA A 658 3.208 -1.714 4.510 1.00 0.00 H ATOM 1159 H ALA A 658 6.326 -3.318 4.888 1.00 0.00 H ATOM 1160 N MET A 659 5.881 -0.226 6.066 1.00 52.10 N ATOM 1161 CA MET A 659 6.049 1.021 6.785 1.00 22.51 C ATOM 1162 C MET A 659 7.023 1.940 6.091 1.00 4.42 C ATOM 1163 O MET A 659 6.762 3.123 5.982 1.00 35.11 O ATOM 1164 CB MET A 659 6.435 0.808 8.234 1.00 31.50 C ATOM 1165 CG MET A 659 5.373 0.119 9.040 1.00 73.33 C ATOM 1166 SD MET A 659 5.868 -0.117 10.738 1.00 51.42 S ATOM 1167 CE MET A 659 4.360 -0.771 11.405 1.00 41.54 C ATOM 1168 HA MET A 659 5.074 1.508 6.784 1.00 0.00 H ATOM 1169 HB2 MET A 659 7.340 0.202 8.265 1.00 0.00 H ATOM 1170 HB3 MET A 659 6.635 1.780 8.685 1.00 0.00 H ATOM 1171 HG2 MET A 659 5.169 -0.855 8.594 1.00 0.00 H ATOM 1172 HG3 MET A 659 4.467 0.724 9.018 1.00 0.00 H ATOM 1173 HE1 MET A 659 3.560 -0.043 11.272 1.00 0.00 H ATOM 1174 HE2 MET A 659 4.104 -1.694 10.884 1.00 0.00 H ATOM 1175 HE3 MET A 659 4.493 -0.977 12.467 1.00 0.00 H ATOM 1176 H MET A 659 6.128 -1.122 6.533 1.00 0.00 H ATOM 1177 N GLU A 660 8.130 1.396 5.599 1.00 74.13 N ATOM 1178 CA GLU A 660 9.092 2.199 4.851 1.00 75.32 C ATOM 1179 C GLU A 660 8.458 2.774 3.604 1.00 61.31 C ATOM 1180 O GLU A 660 8.601 3.968 3.324 1.00 42.44 O ATOM 1181 CB GLU A 660 10.344 1.404 4.506 1.00 53.22 C ATOM 1182 CG GLU A 660 11.209 1.092 5.704 1.00 62.31 C ATOM 1183 CD GLU A 660 11.707 2.353 6.373 1.00 61.33 C ATOM 1184 OE1 GLU A 660 12.642 2.988 5.840 1.00 63.52 O ATOM 1185 OE2 GLU A 660 11.184 2.725 7.457 1.00 24.05 O ATOM 1186 HA GLU A 660 9.398 3.025 5.493 1.00 0.00 H ATOM 1187 HB2 GLU A 660 10.040 0.464 4.045 1.00 0.00 H ATOM 1188 HB3 GLU A 660 10.935 1.981 3.795 1.00 0.00 H ATOM 1189 HG2 GLU A 660 10.625 0.517 6.422 1.00 0.00 H ATOM 1190 HG3 GLU A 660 12.066 0.502 5.378 1.00 0.00 H ATOM 1191 H GLU A 660 8.314 0.383 5.749 1.00 0.00 H ATOM 1192 N THR A 661 7.729 1.936 2.878 1.00 73.03 N ATOM 1193 CA THR A 661 7.016 2.369 1.700 1.00 53.33 C ATOM 1194 C THR A 661 6.017 3.478 2.064 1.00 13.51 C ATOM 1195 O THR A 661 5.927 4.497 1.377 1.00 31.41 O ATOM 1196 CB THR A 661 6.291 1.175 1.031 1.00 12.43 C ATOM 1197 OG1 THR A 661 7.264 0.190 0.645 1.00 50.53 O ATOM 1198 CG2 THR A 661 5.498 1.613 -0.200 1.00 32.12 C ATOM 1199 HA THR A 661 7.734 2.771 0.985 1.00 0.00 H ATOM 1200 HB THR A 661 5.588 0.757 1.752 1.00 0.00 H ATOM 1201 HG1 THR A 661 7.751 -0.123 1.448 1.00 0.00 H ATOM 1202 HG23 THR A 661 4.760 2.360 0.092 1.00 0.00 H ATOM 1203 HG21 THR A 661 6.179 2.041 -0.936 1.00 0.00 H ATOM 1204 HG22 THR A 661 4.992 0.749 -0.631 1.00 0.00 H ATOM 1205 H THR A 661 7.670 0.938 3.166 1.00 0.00 H ATOM 1206 N LEU A 662 5.304 3.292 3.172 1.00 21.24 N ATOM 1207 CA LEU A 662 4.348 4.283 3.627 1.00 11.22 C ATOM 1208 C LEU A 662 5.043 5.575 3.974 1.00 24.43 C ATOM 1209 O LEU A 662 4.752 6.582 3.382 1.00 13.04 O ATOM 1210 CB LEU A 662 3.546 3.796 4.850 1.00 42.40 C ATOM 1211 CG LEU A 662 2.659 2.561 4.679 1.00 71.20 C ATOM 1212 CD1 LEU A 662 2.023 2.183 6.009 1.00 52.02 C ATOM 1213 CD2 LEU A 662 1.581 2.813 3.643 1.00 22.23 C ATOM 1214 HA LEU A 662 3.652 4.448 2.804 1.00 0.00 H ATOM 1215 HB2 LEU A 662 4.262 3.574 5.641 1.00 0.00 H ATOM 1216 HB3 LEU A 662 2.902 4.617 5.164 1.00 0.00 H ATOM 1217 HG LEU A 662 3.284 1.737 4.335 1.00 0.00 H ATOM 1218 HD21 LEU A 662 0.961 3.651 3.962 1.00 0.00 H ATOM 1219 HD22 LEU A 662 2.047 3.048 2.686 1.00 0.00 H ATOM 1220 HD23 LEU A 662 0.963 1.921 3.539 1.00 0.00 H ATOM 1221 HD11 LEU A 662 2.806 1.963 6.735 1.00 0.00 H ATOM 1222 HD12 LEU A 662 1.415 3.013 6.368 1.00 0.00 H ATOM 1223 HD13 LEU A 662 1.395 1.303 5.873 1.00 0.00 H ATOM 1224 H LEU A 662 5.435 2.419 3.722 1.00 0.00 H ATOM 1225 N ARG A 663 6.015 5.514 4.881 1.00 45.21 N ATOM 1226 CA ARG A 663 6.721 6.716 5.382 1.00 15.31 C ATOM 1227 C ARG A 663 7.311 7.517 4.236 1.00 43.24 C ATOM 1228 O ARG A 663 7.266 8.756 4.222 1.00 71.13 O ATOM 1229 CB ARG A 663 7.854 6.322 6.337 1.00 70.35 C ATOM 1230 CG ARG A 663 7.419 5.557 7.574 1.00 23.54 C ATOM 1231 CD ARG A 663 8.624 5.102 8.384 1.00 20.04 C ATOM 1232 NE ARG A 663 9.399 6.224 8.910 1.00 70.01 N ATOM 1233 CZ ARG A 663 10.706 6.188 9.187 1.00 3.54 C ATOM 1234 NH1 ARG A 663 11.436 5.122 8.858 1.00 63.44 N ATOM 1235 NH2 ARG A 663 11.285 7.236 9.759 1.00 30.24 N ATOM 1236 HA ARG A 663 5.988 7.325 5.912 1.00 0.00 H ATOM 1237 HB2 ARG A 663 8.559 5.700 5.786 1.00 0.00 H ATOM 1238 HB3 ARG A 663 8.354 7.234 6.663 1.00 0.00 H ATOM 1239 HG2 ARG A 663 6.796 6.203 8.193 1.00 0.00 H ATOM 1240 HG3 ARG A 663 6.843 4.683 7.269 1.00 0.00 H ATOM 1241 HD2 ARG A 663 9.269 4.500 7.744 1.00 0.00 H ATOM 1242 HD3 ARG A 663 8.275 4.495 9.220 1.00 0.00 H ATOM 1243 HE ARG A 663 8.896 7.118 9.082 1.00 0.00 H ATOM 1244 HH12 ARG A 663 12.453 5.100 9.076 1.00 0.00 H ATOM 1245 HH11 ARG A 663 10.989 4.312 8.383 1.00 0.00 H ATOM 1246 HH22 ARG A 663 12.302 7.214 9.977 1.00 0.00 H ATOM 1247 HH21 ARG A 663 10.722 8.080 9.989 1.00 0.00 H ATOM 1248 H ARG A 663 6.291 4.583 5.254 1.00 0.00 H ATOM 1249 N ARG A 664 7.842 6.814 3.278 1.00 72.12 N ATOM 1250 CA ARG A 664 8.460 7.433 2.151 1.00 71.54 C ATOM 1251 C ARG A 664 7.426 8.006 1.195 1.00 50.35 C ATOM 1252 O ARG A 664 7.465 9.170 0.876 1.00 70.12 O ATOM 1253 CB ARG A 664 9.339 6.416 1.436 1.00 12.50 C ATOM 1254 CG ARG A 664 10.065 6.949 0.225 1.00 52.13 C ATOM 1255 CD ARG A 664 10.905 5.863 -0.414 1.00 22.15 C ATOM 1256 NE ARG A 664 11.909 5.332 0.513 1.00 31.34 N ATOM 1257 CZ ARG A 664 12.698 4.290 0.271 1.00 33.10 C ATOM 1258 NH1 ARG A 664 12.611 3.637 -0.887 1.00 43.24 N ATOM 1259 NH2 ARG A 664 13.565 3.899 1.187 1.00 43.40 N ATOM 1260 HA ARG A 664 9.073 8.262 2.504 1.00 0.00 H ATOM 1261 HB2 ARG A 664 10.083 6.052 2.145 1.00 0.00 H ATOM 1262 HB3 ARG A 664 8.708 5.587 1.116 1.00 0.00 H ATOM 1263 HG2 ARG A 664 9.336 7.311 -0.500 1.00 0.00 H ATOM 1264 HG3 ARG A 664 10.713 7.771 0.529 1.00 0.00 H ATOM 1265 HD2 ARG A 664 11.413 6.277 -1.285 1.00 0.00 H ATOM 1266 HD3 ARG A 664 10.251 5.050 -0.729 1.00 0.00 H ATOM 1267 HE ARG A 664 12.012 5.808 1.432 1.00 0.00 H ATOM 1268 HH12 ARG A 664 13.230 2.822 -1.072 1.00 0.00 H ATOM 1269 HH11 ARG A 664 11.924 3.942 -1.606 1.00 0.00 H ATOM 1270 HH22 ARG A 664 14.185 3.084 1.002 1.00 0.00 H ATOM 1271 HH21 ARG A 664 13.628 4.406 2.093 1.00 0.00 H ATOM 1272 H ARG A 664 7.815 5.776 3.335 1.00 0.00 H ATOM 1273 N SER A 665 6.469 7.225 0.807 1.00 44.13 N ATOM 1274 CA SER A 665 5.544 7.660 -0.196 1.00 43.41 C ATOM 1275 C SER A 665 4.490 8.608 0.334 1.00 32.32 C ATOM 1276 O SER A 665 4.061 9.500 -0.385 1.00 31.11 O ATOM 1277 CB SER A 665 4.927 6.485 -0.942 1.00 1.43 C ATOM 1278 OG SER A 665 5.925 5.769 -1.652 1.00 5.33 O ATOM 1279 HA SER A 665 6.128 8.235 -0.914 1.00 0.00 H ATOM 1280 HB2 SER A 665 4.183 6.857 -1.646 1.00 0.00 H ATOM 1281 HB3 SER A 665 4.447 5.818 -0.227 1.00 0.00 H ATOM 1282 HG SER A 665 6.361 6.372 -2.305 1.00 0.00 H ATOM 1283 H SER A 665 6.372 6.278 1.225 1.00 0.00 H ATOM 1284 N MET A 666 4.096 8.452 1.585 1.00 2.44 N ATOM 1285 CA MET A 666 3.048 9.295 2.134 1.00 15.13 C ATOM 1286 C MET A 666 3.529 10.727 2.271 1.00 54.55 C ATOM 1287 O MET A 666 2.772 11.662 2.071 1.00 22.40 O ATOM 1288 CB MET A 666 2.447 8.726 3.464 1.00 3.32 C ATOM 1289 CG MET A 666 3.355 8.724 4.717 1.00 64.43 C ATOM 1290 SD MET A 666 3.608 10.344 5.456 1.00 50.12 S ATOM 1291 CE MET A 666 1.921 10.738 5.879 1.00 35.33 C ATOM 1292 HA MET A 666 2.220 9.294 1.425 1.00 0.00 H ATOM 1293 HB2 MET A 666 1.563 9.318 3.702 1.00 0.00 H ATOM 1294 HB3 MET A 666 2.151 7.694 3.273 1.00 0.00 H ATOM 1295 HG2 MET A 666 4.328 8.323 4.432 1.00 0.00 H ATOM 1296 HG3 MET A 666 2.901 8.075 5.466 1.00 0.00 H ATOM 1297 HE1 MET A 666 1.314 10.748 4.974 1.00 0.00 H ATOM 1298 HE2 MET A 666 1.536 9.987 6.568 1.00 0.00 H ATOM 1299 HE3 MET A 666 1.886 11.719 6.353 1.00 0.00 H ATOM 1300 H MET A 666 4.538 7.722 2.180 1.00 0.00 H ATOM 1301 N SER A 667 4.799 10.881 2.571 1.00 1.02 N ATOM 1302 CA SER A 667 5.373 12.178 2.704 1.00 34.33 C ATOM 1303 C SER A 667 5.974 12.634 1.372 1.00 72.33 C ATOM 1304 O SER A 667 5.548 13.644 0.813 1.00 22.12 O ATOM 1305 CB SER A 667 6.435 12.176 3.823 1.00 63.33 C ATOM 1306 OG SER A 667 6.996 13.467 4.025 1.00 42.12 O ATOM 1307 HA SER A 667 4.591 12.886 2.979 1.00 0.00 H ATOM 1308 HB2 SER A 667 7.232 11.484 3.551 1.00 0.00 H ATOM 1309 HB3 SER A 667 5.969 11.845 4.751 1.00 0.00 H ATOM 1310 HG SER A 667 7.670 13.423 4.748 1.00 0.00 H ATOM 1311 H SER A 667 5.396 10.041 2.714 1.00 0.00 H ATOM 1312 N THR A 668 6.898 11.836 0.819 1.00 2.21 N ATOM 1313 CA THR A 668 7.644 12.238 -0.359 1.00 11.41 C ATOM 1314 C THR A 668 6.756 12.374 -1.582 1.00 3.51 C ATOM 1315 O THR A 668 6.880 13.316 -2.346 1.00 45.41 O ATOM 1316 CB THR A 668 8.791 11.261 -0.630 1.00 23.51 C ATOM 1317 OG1 THR A 668 9.626 11.201 0.545 1.00 73.31 O ATOM 1318 CG2 THR A 668 9.635 11.688 -1.828 1.00 2.31 C ATOM 1319 HA THR A 668 8.062 13.224 -0.155 1.00 0.00 H ATOM 1320 HB THR A 668 8.365 10.285 -0.860 1.00 0.00 H ATOM 1321 HG1 THR A 668 9.088 10.887 1.315 1.00 0.00 H ATOM 1322 HG23 THR A 668 9.005 11.734 -2.717 1.00 0.00 H ATOM 1323 HG21 THR A 668 10.066 12.671 -1.636 1.00 0.00 H ATOM 1324 HG22 THR A 668 10.434 10.964 -1.984 1.00 0.00 H ATOM 1325 H THR A 668 7.085 10.906 1.245 1.00 0.00 H ATOM 1326 N GLU A 669 5.852 11.458 -1.755 1.00 1.11 N ATOM 1327 CA GLU A 669 4.978 11.530 -2.890 1.00 62.14 C ATOM 1328 C GLU A 669 3.691 12.254 -2.536 1.00 14.13 C ATOM 1329 O GLU A 669 2.993 12.756 -3.404 1.00 24.32 O ATOM 1330 CB GLU A 669 4.733 10.150 -3.480 1.00 41.42 C ATOM 1331 CG GLU A 669 6.017 9.507 -3.984 1.00 54.21 C ATOM 1332 CD GLU A 669 5.805 8.152 -4.579 1.00 32.53 C ATOM 1333 OE1 GLU A 669 5.378 8.065 -5.745 1.00 22.22 O ATOM 1334 OE2 GLU A 669 6.061 7.146 -3.895 1.00 3.43 O ATOM 1335 HA GLU A 669 5.466 12.118 -3.668 1.00 0.00 H ATOM 1336 HB2 GLU A 669 4.298 9.511 -2.712 1.00 0.00 H ATOM 1337 HB3 GLU A 669 4.035 10.242 -4.312 1.00 0.00 H ATOM 1338 HG2 GLU A 669 6.454 10.155 -4.744 1.00 0.00 H ATOM 1339 HG3 GLU A 669 6.709 9.413 -3.147 1.00 0.00 H ATOM 1340 H GLU A 669 5.762 10.677 -1.075 1.00 0.00 H ATOM 1341 N GLY A 670 3.414 12.343 -1.242 1.00 73.33 N ATOM 1342 CA GLY A 670 2.231 13.035 -0.770 1.00 43.44 C ATOM 1343 C GLY A 670 2.310 14.515 -1.049 1.00 54.42 C ATOM 1344 O GLY A 670 1.442 15.078 -1.720 1.00 41.30 O ATOM 1345 HA3 GLY A 670 2.135 12.881 0.305 1.00 0.00 H ATOM 1346 HA2 GLY A 670 1.356 12.625 -1.274 1.00 0.00 H ATOM 1347 H GLY A 670 4.059 11.907 -0.552 1.00 0.00 H ATOM 1348 N ASN A 671 3.378 15.147 -0.579 1.00 72.12 N ATOM 1349 CA ASN A 671 3.572 16.587 -0.798 1.00 53.41 C ATOM 1350 C ASN A 671 3.970 16.864 -2.250 1.00 32.44 C ATOM 1351 O ASN A 671 3.943 18.008 -2.720 1.00 52.22 O ATOM 1352 CB ASN A 671 4.588 17.203 0.214 1.00 33.23 C ATOM 1353 CG ASN A 671 6.018 16.635 0.142 1.00 54.51 C ATOM 1354 OD1 ASN A 671 6.512 16.251 -0.916 1.00 71.15 O ATOM 1355 ND2 ASN A 671 6.674 16.563 1.279 1.00 55.32 N ATOM 1356 HA ASN A 671 2.619 17.082 -0.613 1.00 0.00 H ATOM 1357 HB2 ASN A 671 4.642 18.275 0.026 1.00 0.00 H ATOM 1358 HB3 ASN A 671 4.207 17.030 1.221 1.00 0.00 H ATOM 1359 HD22 ASN A 671 6.229 16.896 2.158 1.00 0.00 H ATOM 1360 HD21 ASN A 671 7.638 16.173 1.299 1.00 0.00 H ATOM 1361 H ASN A 671 4.092 14.612 -0.045 1.00 0.00 H ATOM 1362 N LYS A 672 4.326 15.803 -2.951 1.00 2.32 N ATOM 1363 CA LYS A 672 4.672 15.872 -4.349 1.00 65.12 C ATOM 1364 C LYS A 672 3.404 16.031 -5.176 1.00 74.24 C ATOM 1365 O LYS A 672 3.279 16.959 -5.966 1.00 43.12 O ATOM 1366 CB LYS A 672 5.402 14.598 -4.777 1.00 43.35 C ATOM 1367 CG LYS A 672 5.812 14.570 -6.234 1.00 32.12 C ATOM 1368 CD LYS A 672 6.805 15.668 -6.542 1.00 65.34 C ATOM 1369 CE LYS A 672 7.210 15.658 -7.998 1.00 70.24 C ATOM 1370 NZ LYS A 672 8.162 16.736 -8.301 1.00 15.45 N ATOM 1371 HA LYS A 672 5.328 16.727 -4.510 1.00 0.00 H ATOM 1372 HB2 LYS A 672 6.301 14.499 -4.168 1.00 0.00 H ATOM 1373 HB3 LYS A 672 4.744 13.749 -4.592 1.00 0.00 H ATOM 1374 HG2 LYS A 672 6.267 13.605 -6.457 1.00 0.00 H ATOM 1375 HG3 LYS A 672 4.927 14.705 -6.856 1.00 0.00 H ATOM 1376 HD2 LYS A 672 6.352 16.631 -6.307 1.00 0.00 H ATOM 1377 HD3 LYS A 672 7.693 15.525 -5.926 1.00 0.00 H ATOM 1378 HE2 LYS A 672 6.320 15.788 -8.614 1.00 0.00 H ATOM 1379 HE3 LYS A 672 7.675 14.700 -8.230 1.00 0.00 H ATOM 1380 HZ1 LYS A 672 7.723 17.654 -8.088 1.00 0.00 H ATOM 1381 HZ2 LYS A 672 9.017 16.615 -7.721 1.00 0.00 H ATOM 1382 HZ3 LYS A 672 8.417 16.698 -9.308 1.00 0.00 H ATOM 1383 H LYS A 672 4.358 14.879 -2.475 1.00 0.00 H ATOM 1384 N ARG A 673 2.466 15.114 -4.979 1.00 22.35 N ATOM 1385 CA ARG A 673 1.205 15.147 -5.697 1.00 15.55 C ATOM 1386 C ARG A 673 0.369 16.321 -5.210 1.00 11.22 C ATOM 1387 O ARG A 673 -0.314 16.978 -5.984 1.00 34.43 O ATOM 1388 CB ARG A 673 0.415 13.846 -5.476 1.00 64.21 C ATOM 1389 CG ARG A 673 1.120 12.557 -5.892 1.00 71.44 C ATOM 1390 CD ARG A 673 1.442 12.538 -7.368 1.00 23.33 C ATOM 1391 NE ARG A 673 2.106 11.297 -7.761 1.00 73.34 N ATOM 1392 CZ ARG A 673 2.561 11.030 -8.982 1.00 43.43 C ATOM 1393 NH1 ARG A 673 2.415 11.917 -9.958 1.00 62.33 N ATOM 1394 NH2 ARG A 673 3.155 9.872 -9.224 1.00 51.41 N ATOM 1395 HA ARG A 673 1.421 15.254 -6.760 1.00 0.00 H ATOM 1396 HB2 ARG A 673 0.184 13.772 -4.413 1.00 0.00 H ATOM 1397 HB3 ARG A 673 -0.512 13.918 -6.044 1.00 0.00 H ATOM 1398 HG2 ARG A 673 2.048 12.466 -5.328 1.00 0.00 H ATOM 1399 HG3 ARG A 673 0.472 11.711 -5.662 1.00 0.00 H ATOM 1400 HD2 ARG A 673 2.098 13.378 -7.598 1.00 0.00 H ATOM 1401 HD3 ARG A 673 0.515 12.637 -7.933 1.00 0.00 H ATOM 1402 HE ARG A 673 2.232 10.567 -7.031 1.00 0.00 H ATOM 1403 HH12 ARG A 673 2.772 11.705 -10.911 1.00 0.00 H ATOM 1404 HH11 ARG A 673 1.943 12.825 -9.770 1.00 0.00 H ATOM 1405 HH22 ARG A 673 3.512 9.660 -10.178 1.00 0.00 H ATOM 1406 HH21 ARG A 673 3.265 9.174 -8.461 1.00 0.00 H ATOM 1407 H ARG A 673 2.639 14.352 -4.293 1.00 0.00 H ATOM 1408 N GLY A 674 0.446 16.577 -3.920 1.00 4.05 N ATOM 1409 CA GLY A 674 -0.345 17.629 -3.303 1.00 60.02 C ATOM 1410 C GLY A 674 -1.500 17.031 -2.554 1.00 13.53 C ATOM 1411 O GLY A 674 -2.093 17.647 -1.654 1.00 40.53 O ATOM 1412 HA3 GLY A 674 -0.723 18.297 -4.076 1.00 0.00 H ATOM 1413 HA2 GLY A 674 0.281 18.193 -2.611 1.00 0.00 H ATOM 1414 H GLY A 674 1.089 16.012 -3.328 1.00 0.00 H ATOM 1415 N MET A 675 -1.808 15.828 -2.927 1.00 24.25 N ATOM 1416 CA MET A 675 -2.824 15.036 -2.324 1.00 32.11 C ATOM 1417 C MET A 675 -2.373 13.610 -2.366 1.00 72.23 C ATOM 1418 O MET A 675 -1.709 13.196 -3.310 1.00 31.50 O ATOM 1419 CB MET A 675 -4.201 15.241 -3.010 1.00 53.44 C ATOM 1420 CG MET A 675 -4.220 14.974 -4.513 1.00 1.45 C ATOM 1421 SD MET A 675 -5.774 15.484 -5.299 1.00 31.13 S ATOM 1422 CE MET A 675 -6.967 14.468 -4.437 1.00 12.15 C ATOM 1423 HA MET A 675 -2.973 15.342 -1.288 1.00 0.00 H ATOM 1424 HB2 MET A 675 -4.918 14.569 -2.538 1.00 0.00 H ATOM 1425 HB3 MET A 675 -4.510 16.273 -2.846 1.00 0.00 H ATOM 1426 HG2 MET A 675 -4.080 13.906 -4.679 1.00 0.00 H ATOM 1427 HG3 MET A 675 -3.399 15.523 -4.975 1.00 0.00 H ATOM 1428 HE1 MET A 675 -6.729 13.416 -4.597 1.00 0.00 H ATOM 1429 HE2 MET A 675 -6.931 14.692 -3.371 1.00 0.00 H ATOM 1430 HE3 MET A 675 -7.966 14.678 -4.820 1.00 0.00 H ATOM 1431 H MET A 675 -1.277 15.415 -3.720 1.00 0.00 H ATOM 1432 N ILE A 676 -2.708 12.893 -1.371 1.00 64.14 N ATOM 1433 CA ILE A 676 -2.271 11.566 -1.212 1.00 14.45 C ATOM 1434 C ILE A 676 -3.433 10.602 -1.398 1.00 2.23 C ATOM 1435 O ILE A 676 -4.547 10.837 -0.935 1.00 10.32 O ATOM 1436 CB ILE A 676 -1.557 11.369 0.171 1.00 32.54 C ATOM 1437 CG1 ILE A 676 -1.205 9.891 0.382 1.00 54.31 C ATOM 1438 CG2 ILE A 676 -2.411 11.910 1.311 1.00 13.23 C ATOM 1439 CD1 ILE A 676 -0.430 9.580 1.609 1.00 62.13 C ATOM 1440 HA ILE A 676 -1.532 11.346 -1.983 1.00 0.00 H ATOM 1441 HB ILE A 676 -0.628 11.940 0.166 1.00 0.00 H ATOM 1442 HG12 ILE A 676 -2.137 9.328 0.423 1.00 0.00 H ATOM 1443 HG13 ILE A 676 -0.620 9.561 -0.476 1.00 0.00 H ATOM 1444 HD11 ILE A 676 0.517 10.119 1.585 1.00 0.00 H ATOM 1445 HD12 ILE A 676 -1.001 9.886 2.485 1.00 0.00 H ATOM 1446 HD13 ILE A 676 -0.239 8.508 1.654 1.00 0.00 H ATOM 1447 HG21 ILE A 676 -2.587 12.975 1.157 1.00 0.00 H ATOM 1448 HG22 ILE A 676 -3.364 11.382 1.332 1.00 0.00 H ATOM 1449 HG23 ILE A 676 -1.890 11.759 2.257 1.00 0.00 H ATOM 1450 H ILE A 676 -3.330 13.304 -0.646 1.00 0.00 H ATOM 1451 N GLN A 677 -3.165 9.560 -2.108 1.00 53.31 N ATOM 1452 CA GLN A 677 -4.152 8.568 -2.451 1.00 23.14 C ATOM 1453 C GLN A 677 -3.959 7.327 -1.598 1.00 31.22 C ATOM 1454 O GLN A 677 -2.857 6.815 -1.492 1.00 61.41 O ATOM 1455 CB GLN A 677 -4.014 8.218 -3.932 1.00 70.40 C ATOM 1456 CG GLN A 677 -5.009 7.191 -4.416 1.00 52.23 C ATOM 1457 CD GLN A 677 -4.912 6.910 -5.910 1.00 43.33 C ATOM 1458 OE1 GLN A 677 -5.199 5.800 -6.367 1.00 72.21 O ATOM 1459 NE2 GLN A 677 -4.528 7.902 -6.678 1.00 72.40 N ATOM 1460 HA GLN A 677 -5.150 8.964 -2.264 1.00 0.00 H ATOM 1461 HB2 GLN A 677 -4.151 9.129 -4.514 1.00 0.00 H ATOM 1462 HB3 GLN A 677 -3.010 7.829 -4.100 1.00 0.00 H ATOM 1463 HG2 GLN A 677 -4.834 6.260 -3.877 1.00 0.00 H ATOM 1464 HG3 GLN A 677 -6.014 7.553 -4.197 1.00 0.00 H ATOM 1465 HE22 GLN A 677 -4.294 8.824 -6.258 1.00 0.00 H ATOM 1466 HE21 GLN A 677 -4.458 7.766 -7.707 1.00 0.00 H ATOM 1467 H GLN A 677 -2.191 9.429 -2.449 1.00 0.00 H ATOM 1468 N LEU A 678 -5.007 6.857 -0.986 1.00 11.21 N ATOM 1469 CA LEU A 678 -4.911 5.685 -0.145 1.00 21.12 C ATOM 1470 C LEU A 678 -5.904 4.656 -0.619 1.00 64.12 C ATOM 1471 O LEU A 678 -7.095 4.951 -0.746 1.00 72.50 O ATOM 1472 CB LEU A 678 -5.221 5.992 1.350 1.00 73.23 C ATOM 1473 CG LEU A 678 -4.444 7.113 2.058 1.00 30.13 C ATOM 1474 CD1 LEU A 678 -2.959 6.892 1.967 1.00 41.11 C ATOM 1475 CD2 LEU A 678 -4.846 8.491 1.550 1.00 4.20 C ATOM 1476 HA LEU A 678 -3.885 5.325 -0.216 1.00 0.00 H ATOM 1477 HB2 LEU A 678 -6.279 6.249 1.411 1.00 0.00 H ATOM 1478 HB3 LEU A 678 -5.038 5.074 1.909 1.00 0.00 H ATOM 1479 HG LEU A 678 -4.713 7.078 3.114 1.00 0.00 H ATOM 1480 HD21 LEU A 678 -4.643 8.556 0.481 1.00 0.00 H ATOM 1481 HD22 LEU A 678 -5.910 8.647 1.729 1.00 0.00 H ATOM 1482 HD23 LEU A 678 -4.272 9.253 2.078 1.00 0.00 H ATOM 1483 HD11 LEU A 678 -2.705 5.943 2.438 1.00 0.00 H ATOM 1484 HD12 LEU A 678 -2.660 6.871 0.919 1.00 0.00 H ATOM 1485 HD13 LEU A 678 -2.440 7.703 2.478 1.00 0.00 H ATOM 1486 H LEU A 678 -5.925 7.331 -1.103 1.00 0.00 H ATOM 1487 N ILE A 679 -5.437 3.475 -0.900 1.00 74.01 N ATOM 1488 CA ILE A 679 -6.321 2.405 -1.257 1.00 31.50 C ATOM 1489 C ILE A 679 -6.403 1.469 -0.079 1.00 22.44 C ATOM 1490 O ILE A 679 -5.387 0.887 0.334 1.00 71.40 O ATOM 1491 CB ILE A 679 -5.906 1.590 -2.545 1.00 73.42 C ATOM 1492 CG1 ILE A 679 -5.850 2.458 -3.824 1.00 31.40 C ATOM 1493 CG2 ILE A 679 -6.885 0.445 -2.769 1.00 51.35 C ATOM 1494 CD1 ILE A 679 -4.738 3.476 -3.877 1.00 73.32 C ATOM 1495 HA ILE A 679 -7.280 2.859 -1.507 1.00 0.00 H ATOM 1496 HB ILE A 679 -4.900 1.213 -2.361 1.00 0.00 H ATOM 1497 HG12 ILE A 679 -5.733 1.790 -4.677 1.00 0.00 H ATOM 1498 HG13 ILE A 679 -6.797 2.991 -3.908 1.00 0.00 H ATOM 1499 HD11 ILE A 679 -4.841 4.169 -3.042 1.00 0.00 H ATOM 1500 HD12 ILE A 679 -3.777 2.966 -3.811 1.00 0.00 H ATOM 1501 HD13 ILE A 679 -4.795 4.026 -4.816 1.00 0.00 H ATOM 1502 HG21 ILE A 679 -6.872 -0.217 -1.903 1.00 0.00 H ATOM 1503 HG22 ILE A 679 -7.889 0.848 -2.905 1.00 0.00 H ATOM 1504 HG23 ILE A 679 -6.593 -0.113 -3.659 1.00 0.00 H ATOM 1505 H ILE A 679 -4.412 3.305 -0.865 1.00 0.00 H ATOM 1506 N VAL A 680 -7.572 1.335 0.456 1.00 33.33 N ATOM 1507 CA VAL A 680 -7.805 0.503 1.602 1.00 15.44 C ATOM 1508 C VAL A 680 -8.871 -0.540 1.273 1.00 35.04 C ATOM 1509 O VAL A 680 -9.711 -0.320 0.388 1.00 52.20 O ATOM 1510 CB VAL A 680 -8.180 1.348 2.862 1.00 12.34 C ATOM 1511 CG1 VAL A 680 -6.993 2.160 3.343 1.00 33.04 C ATOM 1512 CG2 VAL A 680 -9.367 2.273 2.596 1.00 15.54 C ATOM 1513 HA VAL A 680 -6.880 -0.019 1.850 1.00 0.00 H ATOM 1514 HB VAL A 680 -8.469 0.643 3.641 1.00 0.00 H ATOM 1515 HG11 VAL A 680 -6.175 1.487 3.602 1.00 0.00 H ATOM 1516 HG12 VAL A 680 -6.672 2.836 2.550 1.00 0.00 H ATOM 1517 HG13 VAL A 680 -7.282 2.738 4.221 1.00 0.00 H ATOM 1518 HG21 VAL A 680 -9.117 2.959 1.787 1.00 0.00 H ATOM 1519 HG22 VAL A 680 -10.235 1.677 2.314 1.00 0.00 H ATOM 1520 HG23 VAL A 680 -9.593 2.841 3.499 1.00 0.00 H ATOM 1521 H VAL A 680 -8.374 1.850 0.040 1.00 0.00 H ATOM 1522 N ALA A 681 -8.824 -1.660 1.937 1.00 13.30 N ATOM 1523 CA ALA A 681 -9.690 -2.763 1.621 1.00 31.03 C ATOM 1524 C ALA A 681 -10.681 -3.064 2.719 1.00 14.34 C ATOM 1525 O ALA A 681 -10.330 -3.207 3.890 1.00 13.51 O ATOM 1526 CB ALA A 681 -8.884 -3.998 1.292 1.00 15.11 C ATOM 1527 HA ALA A 681 -10.265 -2.463 0.745 1.00 0.00 H ATOM 1528 HB1 ALA A 681 -8.244 -3.795 0.433 1.00 0.00 H ATOM 1529 HB2 ALA A 681 -8.268 -4.268 2.150 1.00 0.00 H ATOM 1530 HB3 ALA A 681 -9.560 -4.820 1.056 1.00 0.00 H ATOM 1531 H ALA A 681 -8.142 -1.759 2.716 1.00 0.00 H ATOM 1532 N ARG A 682 -11.891 -3.253 2.305 1.00 10.42 N ATOM 1533 CA ARG A 682 -12.999 -3.517 3.165 1.00 54.32 C ATOM 1534 C ARG A 682 -13.398 -4.946 2.997 1.00 41.51 C ATOM 1535 O ARG A 682 -13.764 -5.367 1.908 1.00 13.03 O ATOM 1536 CB ARG A 682 -14.144 -2.609 2.699 1.00 21.02 C ATOM 1537 CG ARG A 682 -15.553 -2.908 3.214 1.00 42.52 C ATOM 1538 CD ARG A 682 -15.726 -2.821 4.724 1.00 62.32 C ATOM 1539 NE ARG A 682 -17.166 -2.717 5.059 1.00 0.30 N ATOM 1540 CZ ARG A 682 -17.893 -3.549 5.832 1.00 33.24 C ATOM 1541 NH1 ARG A 682 -17.378 -4.681 6.309 1.00 53.44 N ATOM 1542 NH2 ARG A 682 -19.161 -3.250 6.089 1.00 24.25 N ATOM 1543 HA ARG A 682 -12.755 -3.332 4.211 1.00 0.00 H ATOM 1544 HB2 ARG A 682 -13.896 -1.592 3.004 1.00 0.00 H ATOM 1545 HB3 ARG A 682 -14.178 -2.663 1.611 1.00 0.00 H ATOM 1546 HG2 ARG A 682 -16.238 -2.195 2.755 1.00 0.00 H ATOM 1547 HG3 ARG A 682 -15.819 -3.918 2.902 1.00 0.00 H ATOM 1548 HD2 ARG A 682 -15.203 -1.941 5.098 1.00 0.00 H ATOM 1549 HD3 ARG A 682 -15.310 -3.715 5.188 1.00 0.00 H ATOM 1550 HE ARG A 682 -17.675 -1.908 4.650 1.00 0.00 H ATOM 1551 HH12 ARG A 682 -17.959 -5.307 6.903 1.00 0.00 H ATOM 1552 HH11 ARG A 682 -16.395 -4.939 6.087 1.00 0.00 H ATOM 1553 HH22 ARG A 682 -19.734 -3.882 6.684 1.00 0.00 H ATOM 1554 HH21 ARG A 682 -19.581 -2.384 5.696 1.00 0.00 H ATOM 1555 H ARG A 682 -12.068 -3.210 1.281 1.00 0.00 H ATOM 1556 N ARG A 683 -13.337 -5.681 4.059 1.00 31.41 N ATOM 1557 CA ARG A 683 -13.735 -7.053 4.030 1.00 75.51 C ATOM 1558 C ARG A 683 -15.200 -7.125 4.387 1.00 52.33 C ATOM 1559 O ARG A 683 -15.628 -6.539 5.395 1.00 41.22 O ATOM 1560 CB ARG A 683 -12.884 -7.903 5.009 1.00 11.12 C ATOM 1561 CG ARG A 683 -13.014 -7.515 6.479 1.00 35.22 C ATOM 1562 CD ARG A 683 -12.181 -8.411 7.377 1.00 51.41 C ATOM 1563 NE ARG A 683 -12.403 -8.103 8.800 1.00 31.42 N ATOM 1564 CZ ARG A 683 -11.962 -8.842 9.826 1.00 53.44 C ATOM 1565 NH1 ARG A 683 -11.179 -9.892 9.613 1.00 12.21 N ATOM 1566 NH2 ARG A 683 -12.300 -8.525 11.066 1.00 51.20 N ATOM 1567 HA ARG A 683 -13.574 -7.462 3.033 1.00 0.00 H ATOM 1568 HB2 ARG A 683 -13.188 -8.945 4.906 1.00 0.00 H ATOM 1569 HB3 ARG A 683 -11.837 -7.802 4.723 1.00 0.00 H ATOM 1570 HG2 ARG A 683 -12.681 -6.484 6.602 1.00 0.00 H ATOM 1571 HG3 ARG A 683 -14.060 -7.595 6.774 1.00 0.00 H ATOM 1572 HD2 ARG A 683 -11.126 -8.266 7.143 1.00 0.00 H ATOM 1573 HD3 ARG A 683 -12.453 -9.450 7.192 1.00 0.00 H ATOM 1574 HE ARG A 683 -12.945 -7.244 9.026 1.00 0.00 H ATOM 1575 HH12 ARG A 683 -10.841 -10.460 10.416 1.00 0.00 H ATOM 1576 HH11 ARG A 683 -10.903 -10.147 8.643 1.00 0.00 H ATOM 1577 HH22 ARG A 683 -11.957 -9.100 11.862 1.00 0.00 H ATOM 1578 HH21 ARG A 683 -12.909 -7.701 11.245 1.00 0.00 H ATOM 1579 H ARG A 683 -12.993 -5.267 4.949 1.00 0.00 H ATOM 1580 N ILE A 684 -15.988 -7.767 3.566 1.00 52.54 N ATOM 1581 CA ILE A 684 -17.372 -7.910 3.883 1.00 41.14 C ATOM 1582 C ILE A 684 -17.560 -9.044 4.855 1.00 11.53 C ATOM 1583 O ILE A 684 -17.572 -10.223 4.502 1.00 74.11 O ATOM 1584 CB ILE A 684 -18.297 -8.043 2.654 1.00 23.54 C ATOM 1585 CG1 ILE A 684 -18.159 -6.786 1.785 1.00 22.20 C ATOM 1586 CG2 ILE A 684 -19.755 -8.221 3.104 1.00 15.13 C ATOM 1587 CD1 ILE A 684 -19.060 -6.772 0.582 1.00 51.13 C ATOM 1588 HA ILE A 684 -17.682 -6.977 4.353 1.00 0.00 H ATOM 1589 HB ILE A 684 -18.008 -8.919 2.074 1.00 0.00 H ATOM 1590 HG12 ILE A 684 -18.394 -5.917 2.399 1.00 0.00 H ATOM 1591 HG13 ILE A 684 -17.127 -6.718 1.441 1.00 0.00 H ATOM 1592 HD11 ILE A 684 -18.831 -7.629 -0.052 1.00 0.00 H ATOM 1593 HD12 ILE A 684 -20.099 -6.826 0.907 1.00 0.00 H ATOM 1594 HD13 ILE A 684 -18.901 -5.851 0.021 1.00 0.00 H ATOM 1595 HG21 ILE A 684 -19.839 -9.121 3.713 1.00 0.00 H ATOM 1596 HG22 ILE A 684 -20.061 -7.354 3.690 1.00 0.00 H ATOM 1597 HG23 ILE A 684 -20.396 -8.313 2.227 1.00 0.00 H ATOM 1598 H ILE A 684 -15.609 -8.172 2.686 1.00 0.00 H ATOM 1599 N SER A 685 -17.616 -8.653 6.069 1.00 34.31 N ATOM 1600 CA SER A 685 -17.794 -9.494 7.200 1.00 43.52 C ATOM 1601 C SER A 685 -18.510 -8.643 8.229 1.00 11.21 C ATOM 1602 O SER A 685 -18.434 -7.401 8.146 1.00 74.10 O ATOM 1603 CB SER A 685 -16.417 -9.945 7.727 1.00 2.01 C ATOM 1604 OG SER A 685 -15.682 -10.651 6.720 1.00 62.30 O ATOM 1605 HA SER A 685 -18.364 -10.393 6.965 1.00 0.00 H ATOM 1606 HB2 SER A 685 -16.562 -10.600 8.586 1.00 0.00 H ATOM 1607 HB3 SER A 685 -15.848 -9.067 8.033 1.00 0.00 H ATOM 1608 HG SER A 685 -15.543 -10.059 5.939 1.00 0.00 H ATOM 1609 H SER A 685 -17.523 -7.632 6.245 1.00 0.00 H ATOM 1610 N ARG A 686 -19.203 -9.252 9.164 1.00 72.32 N ATOM 1611 CA ARG A 686 -19.948 -8.480 10.136 1.00 30.40 C ATOM 1612 C ARG A 686 -19.010 -7.912 11.195 1.00 31.22 C ATOM 1613 O ARG A 686 -19.234 -6.807 11.720 1.00 51.14 O ATOM 1614 CB ARG A 686 -21.068 -9.308 10.773 1.00 1.43 C ATOM 1615 CG ARG A 686 -21.982 -8.502 11.693 1.00 10.31 C ATOM 1616 CD ARG A 686 -22.640 -7.355 10.927 1.00 71.43 C ATOM 1617 NE ARG A 686 -23.540 -6.561 11.762 1.00 75.23 N ATOM 1618 CZ ARG A 686 -24.296 -5.546 11.322 1.00 31.23 C ATOM 1619 NH1 ARG A 686 -24.248 -5.170 10.047 1.00 71.04 N ATOM 1620 NH2 ARG A 686 -25.090 -4.902 12.165 1.00 64.44 N ATOM 1621 HA ARG A 686 -20.421 -7.648 9.615 1.00 0.00 H ATOM 1622 HB2 ARG A 686 -21.674 -9.738 9.976 1.00 0.00 H ATOM 1623 HB3 ARG A 686 -20.614 -10.110 11.355 1.00 0.00 H ATOM 1624 HG2 ARG A 686 -22.756 -9.157 12.093 1.00 0.00 H ATOM 1625 HG3 ARG A 686 -21.394 -8.093 12.515 1.00 0.00 H ATOM 1626 HD2 ARG A 686 -23.211 -7.772 10.097 1.00 0.00 H ATOM 1627 HD3 ARG A 686 -21.859 -6.702 10.537 1.00 0.00 H ATOM 1628 HE ARG A 686 -23.598 -6.802 12.772 1.00 0.00 H ATOM 1629 HH12 ARG A 686 -24.839 -4.381 9.715 1.00 0.00 H ATOM 1630 HH11 ARG A 686 -23.620 -5.665 9.382 1.00 0.00 H ATOM 1631 HH22 ARG A 686 -25.678 -4.114 11.826 1.00 0.00 H ATOM 1632 HH21 ARG A 686 -25.125 -5.185 13.165 1.00 0.00 H ATOM 1633 H ARG A 686 -19.217 -10.291 9.206 1.00 0.00 H ATOM 1634 N CYS A 687 -17.960 -8.656 11.498 1.00 21.44 N ATOM 1635 CA CYS A 687 -16.964 -8.196 12.428 1.00 24.54 C ATOM 1636 C CYS A 687 -16.051 -7.192 11.739 1.00 34.03 C ATOM 1637 O CYS A 687 -15.033 -7.548 11.135 1.00 20.54 O ATOM 1638 CB CYS A 687 -16.174 -9.364 13.027 1.00 20.51 C ATOM 1639 SG CYS A 687 -17.204 -10.550 13.931 1.00 22.55 S ATOM 1640 HA CYS A 687 -17.461 -7.699 13.261 1.00 0.00 H ATOM 1641 HB2 CYS A 687 -15.429 -8.961 13.713 1.00 0.00 H ATOM 1642 HB3 CYS A 687 -15.671 -9.892 12.217 1.00 0.00 H ATOM 1643 HG CYS A 687 -16.408 -11.560 14.431 1.00 0.00 H ATOM 1644 H CYS A 687 -17.852 -9.591 11.056 1.00 0.00 H ATOM 1645 N ASN A 688 -16.484 -5.960 11.764 1.00 71.43 N ATOM 1646 CA ASN A 688 -15.806 -4.862 11.137 1.00 0.00 C ATOM 1647 C ASN A 688 -16.216 -3.582 11.826 1.00 70.04 C ATOM 1648 O ASN A 688 -17.362 -3.454 12.274 1.00 4.04 O ATOM 1649 CB ASN A 688 -16.160 -4.820 9.633 1.00 51.41 C ATOM 1650 CG ASN A 688 -15.573 -3.626 8.898 1.00 53.53 C ATOM 1651 OD1 ASN A 688 -14.442 -3.673 8.420 1.00 24.51 O ATOM 1652 ND2 ASN A 688 -16.354 -2.583 8.757 1.00 24.24 N ATOM 1653 HA ASN A 688 -14.726 -4.983 11.226 1.00 0.00 H ATOM 1654 HB2 ASN A 688 -15.784 -5.730 9.166 1.00 0.00 H ATOM 1655 HB3 ASN A 688 -17.245 -4.784 9.536 1.00 0.00 H ATOM 1656 HD22 ASN A 688 -17.305 -2.585 9.178 1.00 0.00 H ATOM 1657 HD21 ASN A 688 -16.023 -1.754 8.224 1.00 0.00 H ATOM 1658 H ASN A 688 -17.372 -5.763 12.268 1.00 0.00 H ATOM 1659 N GLU A 689 -15.305 -2.656 11.933 1.00 74.43 N ATOM 1660 CA GLU A 689 -15.566 -1.395 12.595 1.00 1.34 C ATOM 1661 C GLU A 689 -15.160 -0.256 11.681 1.00 43.44 C ATOM 1662 O GLU A 689 -14.723 -0.506 10.548 1.00 14.12 O ATOM 1663 CB GLU A 689 -14.789 -1.332 13.916 1.00 64.03 C ATOM 1664 CG GLU A 689 -15.028 -0.078 14.742 1.00 21.13 C ATOM 1665 CD GLU A 689 -16.475 0.096 15.133 1.00 64.53 C ATOM 1666 OE1 GLU A 689 -16.904 -0.489 16.152 1.00 33.11 O ATOM 1667 OE2 GLU A 689 -17.208 0.831 14.433 1.00 1.52 O ATOM 1668 HA GLU A 689 -16.630 -1.308 12.817 1.00 0.00 H ATOM 1669 HB2 GLU A 689 -15.075 -2.194 14.519 1.00 0.00 H ATOM 1670 HB3 GLU A 689 -13.725 -1.388 13.686 1.00 0.00 H ATOM 1671 HG2 GLU A 689 -14.426 -0.138 15.649 1.00 0.00 H ATOM 1672 HG3 GLU A 689 -14.718 0.789 14.158 1.00 0.00 H ATOM 1673 H GLU A 689 -14.362 -2.828 11.531 1.00 0.00 H TER 1674 GLU A 689 HETATM 1675 N MET A 1 -5.199 -6.780 34.215 1.00 0.24 N HETATM 1676 CA MET A 1 -4.634 -5.644 33.488 1.00 0.07 C HETATM 1677 C MET A 1 -3.418 -6.088 32.699 1.00 0.23 C HETATM 1678 O MET A 1 -2.913 -5.375 31.827 1.00 -0.39 O HETATM 1679 N MET A 1 -2.944 -7.262 33.012 1.00 -0.26 N HETATM 1680 CA MET A 1 -1.820 -7.836 32.314 1.00 0.13 C HETATM 1681 C MET A 1 -2.307 -8.936 31.405 1.00 0.20 C HETATM 1682 O MET A 1 -3.462 -9.370 31.521 1.00 -0.39 O HETATM 1683 N MET A 1 -1.443 -9.359 30.506 1.00 -0.26 N HETATM 1684 CA MET A 1 -1.713 -10.435 29.563 1.00 0.13 C HETATM 1685 C MET A 1 -2.845 -10.107 28.597 1.00 0.20 C HETATM 1686 O MET A 1 -4.012 -10.453 28.819 1.00 -0.39 O HETATM 1687 N MET A 1 -2.505 -9.395 27.573 1.00 -0.26 N HETATM 1688 CA MET A 1 -3.413 -9.068 26.518 1.00 0.13 C HETATM 1689 C MET A 1 -2.763 -9.545 25.260 1.00 0.20 C HETATM 1690 O MET A 1 -1.560 -9.302 25.058 1.00 -0.39 O HETATM 1691 N MET A 1 -3.528 -10.211 24.425 1.00 -0.26 N HETATM 1692 CA MET A 1 -2.988 -10.949 23.269 1.00 0.13 C HETATM 1693 C MET A 1 -2.027 -12.028 23.795 1.00 0.20 C HETATM 1694 O MET A 1 -2.033 -12.352 25.005 1.00 -0.39 O HETATM 1695 N MET A 1 -1.238 -12.598 22.933 1.00 -0.26 N HETATM 1696 CA MET A 1 -0.265 -13.552 23.354 1.00 0.14 C HETATM 1697 C MET A 1 0.809 -13.597 22.320 1.00 0.21 C HETATM 1698 O MET A 1 0.573 -14.012 21.176 1.00 -0.39 O HETATM 1699 N MET A 1 1.947 -13.131 22.689 1.00 -0.27 N HETATM 1700 CA MET A 1 3.031 -13.049 21.793 1.00 0.12 C HETATM 1701 C MET A 1 3.942 -11.943 22.204 1.00 0.20 C HETATM 1702 O MET A 1 3.498 -10.994 22.867 1.00 -0.39 O HETATM 1703 N MET A 1 5.190 -12.045 21.862 1.00 -0.26 N HETATM 1704 CA MET A 1 6.131 -11.029 22.193 1.00 0.15 C HETATM 1705 C MET A 1 6.105 -9.956 21.109 1.00 0.21 C HETATM 1706 O MET A 1 6.839 -10.025 20.118 1.00 -0.39 O HETATM 1707 N MET A 1 5.196 -9.021 21.263 1.00 -0.26 N HETATM 1708 CA MET A 1 4.997 -7.983 20.297 1.00 0.14 C HETATM 1709 C MET A 1 4.819 -6.680 21.031 1.00 0.21 C HETATM 1710 O MET A 1 4.105 -6.629 22.034 1.00 -0.39 O HETATM 1711 N MET A 1 5.471 -5.616 20.586 1.00 -0.25 N HETATM 1712 CA MET A 1 5.272 -4.290 21.145 1.00 0.13 C HETATM 1713 C MET A 1 4.215 -3.531 20.337 1.00 0.20 C HETATM 1714 O MET A 1 3.988 -2.338 20.548 1.00 -0.39 O HETATM 1715 N MET A 1 3.559 -4.273 19.426 1.00 -0.26 N HETATM 1716 CA MET A 1 2.604 -3.743 18.461 1.00 0.13 C HETATM 1717 C MET A 1 3.258 -2.687 17.588 1.00 0.20 C HETATM 1718 O MET A 1 3.340 -1.526 17.965 1.00 -0.39 O HETATM 1719 N MET A 1 3.772 -3.101 16.451 1.00 -0.26 N HETATM 1720 CA MET A 1 4.419 -2.177 15.547 1.00 0.13 C HETATM 1721 C MET A 1 3.406 -1.273 14.863 1.00 0.20 C HETATM 1722 O MET A 1 2.662 -1.676 13.966 1.00 -0.39 O HETATM 1723 N MET A 1 3.379 -0.075 15.339 1.00 -0.26 N HETATM 1724 CA MET A 1 2.468 0.961 14.910 1.00 0.13 C HETATM 1725 C MET A 1 3.223 1.978 14.073 1.00 0.20 C HETATM 1726 O MET A 1 4.434 2.183 14.269 1.00 -0.39 O HETATM 1727 N MET A 1 2.537 2.589 13.158 1.00 -0.26 N HETATM 1728 CA MET A 1 3.085 3.615 12.347 1.00 0.13 C HETATM 1729 C MET A 1 1.988 4.680 12.217 1.00 0.20 C HETATM 1730 O MET A 1 0.841 4.352 11.954 1.00 -0.39 O HETATM 1731 N MET A 1 2.318 5.918 12.442 1.00 -0.26 N HETATM 1732 CA MET A 1 1.318 6.974 12.352 1.00 0.13 C HETATM 1733 C MET A 1 1.562 7.808 11.120 1.00 0.20 C HETATM 1734 O MET A 1 2.674 8.318 10.906 1.00 -0.39 O HETATM 1735 N MET A 1 0.563 7.952 10.318 1.00 -0.27 N HETATM 1736 CA MET A 1 0.662 8.747 9.160 1.00 0.10 C HETATM 1737 C MET A 1 -0.244 9.948 9.307 1.00 0.06 C HETATM 1738 O MET A 1 0.247 11.003 9.720 1.00 -0.57 O HETATM 1739 OXT MET A 1 -1.434 9.844 9.063 1.00 -0.57 O HETATM 1740 CB MET A 1 0.413 7.961 7.832 1.00 -0.01 C HETATM 1741 CG1 MET A 1 -0.907 7.188 7.850 1.00 -0.05 C HETATM 1742 CD1 MET A 1 -1.246 6.572 6.515 1.00 -0.06 C HETATM 1743 H123 MET A 1 -2.201 6.032 6.592 1.00 0.02 H HETATM 1744 H124 MET A 1 -0.451 5.870 6.223 1.00 0.02 H HETATM 1745 H125 MET A 1 -1.333 7.364 5.757 1.00 0.02 H HETATM 1746 H118 MET A 1 -1.715 7.879 8.133 1.00 0.03 H HETATM 1747 H119 MET A 1 -0.833 6.385 8.598 1.00 0.03 H HETATM 1748 CG2 MET A 1 1.576 7.013 7.547 1.00 -0.06 C HETATM 1749 H120 MET A 1 2.518 7.581 7.537 1.00 0.02 H HETATM 1750 H121 MET A 1 1.427 6.533 6.569 1.00 0.02 H HETATM 1751 H122 MET A 1 1.621 6.242 8.330 1.00 0.02 H HETATM 1752 H117 MET A 1 0.361 8.694 7.014 1.00 0.03 H HETATM 1753 H116 MET A 1 1.696 9.120 9.111 1.00 0.07 H HETATM 1754 H115 MET A 1 -0.300 7.490 10.522 1.00 0.19 H HETATM 1755 CB MET A 1 1.244 7.923 13.619 1.00 -0.00 C HETATM 1756 CG1 MET A 1 0.870 7.159 14.917 1.00 -0.05 C HETATM 1757 CD1 MET A 1 1.929 6.211 15.454 1.00 -0.06 C HETATM 1758 H112 MET A 1 1.558 5.728 16.370 1.00 0.02 H HETATM 1759 H113 MET A 1 2.845 6.776 15.683 1.00 0.02 H HETATM 1760 H114 MET A 1 2.151 5.443 14.698 1.00 0.02 H HETATM 1761 H107 MET A 1 -0.037 6.571 14.713 1.00 0.03 H HETATM 1762 H108 MET A 1 0.657 7.904 15.698 1.00 0.03 H HETATM 1763 CG2 MET A 1 0.245 9.078 13.393 1.00 -0.06 C HETATM 1764 H109 MET A 1 0.511 9.618 12.473 1.00 0.02 H HETATM 1765 H110 MET A 1 0.284 9.769 14.248 1.00 0.02 H HETATM 1766 H111 MET A 1 -0.772 8.670 13.297 1.00 0.02 H HETATM 1767 H106 MET A 1 2.243 8.360 13.763 1.00 0.03 H HETATM 1768 H105 MET A 1 0.337 6.486 12.250 1.00 0.08 H HETATM 1769 H104 MET A 1 3.263 6.146 12.678 1.00 0.19 H HETATM 1770 CB MET A 1 3.453 3.010 10.973 1.00 -0.01 C HETATM 1771 CG MET A 1 4.485 3.747 10.125 1.00 -0.04 C HETATM 1772 CD1 MET A 1 4.065 5.156 9.774 1.00 -0.06 C HETATM 1773 H98 MET A 1 4.848 5.631 9.165 1.00 0.02 H HETATM 1774 H99 MET A 1 3.917 5.735 10.697 1.00 0.02 H HETATM 1775 H100 MET A 1 3.124 5.127 9.204 1.00 0.02 H HETATM 1776 CD2 MET A 1 5.814 3.716 10.827 1.00 -0.06 C HETATM 1777 H101 MET A 1 6.080 2.675 11.063 1.00 0.02 H HETATM 1778 H102 MET A 1 5.751 4.298 11.758 1.00 0.02 H HETATM 1779 H103 MET A 1 6.584 4.152 10.174 1.00 0.02 H HETATM 1780 H97 MET A 1 4.591 3.197 9.178 1.00 0.03 H HETATM 1781 H95 MET A 1 2.527 2.949 10.383 1.00 0.03 H HETATM 1782 H96 MET A 1 3.840 1.996 11.154 1.00 0.03 H HETATM 1783 H94 MET A 1 3.982 4.047 12.815 1.00 0.08 H HETATM 1784 H93 MET A 1 1.582 2.326 13.018 1.00 0.19 H HETATM 1785 CB MET A 1 1.926 1.673 16.151 1.00 -0.00 C HETATM 1786 CG MET A 1 1.169 0.793 17.124 1.00 0.00 C HETATM 1787 CD MET A 1 1.003 1.449 18.488 1.00 0.04 C HETATM 1788 OE1 MET A 1 2.003 1.566 19.216 1.00 -0.57 O HETATM 1789 OE2 MET A 1 -0.120 1.820 18.859 1.00 -0.57 O HETATM 1790 H91 MET A 1 1.720 -0.150 17.250 1.00 0.04 H HETATM 1791 H92 MET A 1 0.172 0.583 16.709 1.00 0.04 H HETATM 1792 H89 MET A 1 1.247 2.471 15.816 1.00 0.03 H HETATM 1793 H90 MET A 1 2.778 2.117 16.687 1.00 0.03 H HETATM 1794 H88 MET A 1 1.644 0.524 14.327 1.00 0.08 H HETATM 1795 H87 MET A 1 4.036 0.154 16.057 1.00 0.19 H HETATM 1796 CB MET A 1 5.350 -2.898 14.574 1.00 -0.00 C HETATM 1797 CG MET A 1 4.699 -3.985 13.793 1.00 0.00 C HETATM 1798 CD MET A 1 5.709 -4.793 13.037 1.00 0.04 C HETATM 1799 OE1 MET A 1 6.430 -5.576 13.685 1.00 -0.57 O HETATM 1800 OE2 MET A 1 5.786 -4.700 11.812 1.00 -0.57 O HETATM 1801 H85 MET A 1 3.991 -3.539 13.079 1.00 0.04 H HETATM 1802 H86 MET A 1 4.156 -4.646 14.484 1.00 0.04 H HETATM 1803 H83 MET A 1 6.178 -3.337 15.151 1.00 0.03 H HETATM 1804 H84 MET A 1 5.749 -2.157 13.866 1.00 0.03 H HETATM 1805 H82 MET A 1 5.056 -1.524 16.161 1.00 0.08 H HETATM 1806 H81 MET A 1 3.715 -4.069 16.208 1.00 0.19 H HETATM 1807 CB MET A 1 1.295 -3.194 19.099 1.00 0.00 C HETATM 1808 CG MET A 1 0.343 -4.231 19.724 1.00 0.04 C HETATM 1809 CD MET A 1 0.916 -4.991 20.908 1.00 0.17 C HETATM 1810 OE1 MET A 1 1.514 -6.059 20.756 1.00 -0.40 O HETATM 1811 NE2 MET A 1 0.744 -4.452 22.082 1.00 -0.30 N HETATM 1812 H79 MET A 1 1.100 -4.907 22.898 1.00 0.18 H HETATM 1813 H80 MET A 1 0.256 -3.583 22.167 1.00 0.18 H HETATM 1814 H77 MET A 1 0.075 -4.961 18.946 1.00 0.05 H HETATM 1815 H78 MET A 1 -0.562 -3.705 20.061 1.00 0.05 H HETATM 1816 H75 MET A 1 0.739 -2.662 18.313 1.00 0.03 H HETATM 1817 H76 MET A 1 1.581 -2.485 19.890 1.00 0.03 H HETATM 1818 H74 MET A 1 2.313 -4.579 17.808 1.00 0.08 H HETATM 1819 H73 MET A 1 3.739 -5.256 19.410 1.00 0.19 H HETATM 1820 CB MET A 1 6.644 -3.648 20.949 1.00 -0.01 C HETATM 1821 CG MET A 1 7.175 -4.260 19.687 1.00 -0.03 C HETATM 1822 CD MET A 1 6.506 -5.612 19.534 1.00 0.04 C HETATM 1823 H71 MET A 1 6.052 -5.713 18.537 1.00 0.05 H HETATM 1824 H72 MET A 1 7.228 -6.426 19.692 1.00 0.05 H HETATM 1825 H69 MET A 1 8.266 -4.384 19.757 1.00 0.03 H HETATM 1826 H70 MET A 1 6.934 -3.619 18.826 1.00 0.03 H HETATM 1827 H67 MET A 1 7.304 -3.877 21.799 1.00 0.03 H HETATM 1828 H68 MET A 1 6.550 -2.557 20.841 1.00 0.03 H HETATM 1829 H66 MET A 1 4.986 -4.331 22.206 1.00 0.08 H HETATM 1830 CB MET A 1 3.703 -8.230 19.474 1.00 0.04 C HETATM 1831 CG MET A 1 3.619 -9.583 18.795 1.00 0.04 C HETATM 1832 OD1 MET A 1 4.070 -9.729 17.634 1.00 -0.57 O HETATM 1833 OD2 MET A 1 3.079 -10.520 19.404 1.00 -0.57 O HETATM 1834 H64 MET A 1 3.641 -7.455 18.696 1.00 0.05 H HETATM 1835 H65 MET A 1 2.844 -8.137 20.154 1.00 0.05 H HETATM 1836 H63 MET A 1 5.865 -7.930 19.624 1.00 0.08 H HETATM 1837 H62 MET A 1 4.623 -9.034 22.083 1.00 0.19 H HETATM 1838 CB MET A 1 7.519 -11.639 22.353 1.00 0.08 C HETATM 1839 OG MET A 1 7.487 -12.695 23.318 1.00 -0.39 O HETATM 1840 H61 MET A 1 8.357 -13.066 23.408 1.00 0.21 H HETATM 1841 H59 MET A 1 8.221 -10.861 22.689 1.00 0.06 H HETATM 1842 H60 MET A 1 7.853 -12.041 21.385 1.00 0.06 H HETATM 1843 H58 MET A 1 5.840 -10.569 23.149 1.00 0.08 H HETATM 1844 H57 MET A 1 5.496 -12.852 21.357 1.00 0.19 H HETATM 1845 H55 MET A 1 2.653 -12.853 20.779 1.00 0.08 H HETATM 1846 H56 MET A 1 3.584 -14.000 21.801 1.00 0.08 H HETATM 1847 H54 MET A 1 2.066 -12.820 23.632 1.00 0.19 H HETATM 1848 CB MET A 1 -0.888 -14.930 23.577 1.00 0.02 C HETATM 1849 CG MET A 1 0.057 -15.923 24.200 1.00 -0.05 C HETATM 1850 CD1 MET A 1 0.338 -15.873 25.559 1.00 -0.07 C HETATM 1851 CE1 MET A 1 1.195 -16.779 26.141 1.00 -0.04 C HETATM 1852 CZ MET A 1 1.783 -17.747 25.365 1.00 0.08 C HETATM 1853 CE2 MET A 1 1.519 -17.816 24.022 1.00 -0.04 C HETATM 1854 CD2 MET A 1 0.662 -16.908 23.444 1.00 -0.07 C HETATM 1855 H50 MET A 1 0.459 -16.966 22.381 1.00 0.05 H HETATM 1856 H52 MET A 1 1.985 -18.585 23.416 1.00 0.05 H HETATM 1857 OH MET A 1 2.637 -18.663 25.940 1.00 -0.34 O HETATM 1858 H53 MET A 1 2.715 -18.482 26.869 1.00 0.25 H HETATM 1859 H51 MET A 1 1.404 -16.729 27.203 1.00 0.05 H HETATM 1860 H49 MET A 1 -0.125 -15.108 26.171 1.00 0.05 H HETATM 1861 H47 MET A 1 -1.216 -15.325 22.604 1.00 0.05 H HETATM 1862 H48 MET A 1 -1.759 -14.815 24.239 1.00 0.05 H HETATM 1863 H46 MET A 1 0.172 -13.217 24.306 1.00 0.08 H HETATM 1864 H45 MET A 1 -1.314 -12.365 21.964 1.00 0.19 H HETATM 1865 CB MET A 1 -2.257 -10.033 22.230 1.00 -0.01 C HETATM 1866 CG MET A 1 -3.106 -9.092 21.343 1.00 -0.04 C HETATM 1867 CD1 MET A 1 -3.839 -8.043 22.145 1.00 -0.06 C HETATM 1868 H39 MET A 1 -4.424 -7.405 21.466 1.00 0.02 H HETATM 1869 H40 MET A 1 -3.112 -7.426 22.693 1.00 0.02 H HETATM 1870 H41 MET A 1 -4.515 -8.534 22.860 1.00 0.02 H HETATM 1871 CD2 MET A 1 -2.236 -8.438 20.279 1.00 -0.06 C HETATM 1872 H42 MET A 1 -1.711 -9.216 19.706 1.00 0.02 H HETATM 1873 H43 MET A 1 -1.500 -7.778 20.762 1.00 0.02 H HETATM 1874 H44 MET A 1 -2.869 -7.847 19.601 1.00 0.02 H HETATM 1875 H38 MET A 1 -3.861 -9.708 20.833 1.00 0.03 H HETATM 1876 H36 MET A 1 -1.694 -10.694 21.555 1.00 0.03 H HETATM 1877 H37 MET A 1 -1.555 -9.401 22.793 1.00 0.03 H HETATM 1878 H35 MET A 1 -3.826 -11.440 22.753 1.00 0.08 H HETATM 1879 H34 MET A 1 -4.516 -10.217 24.580 1.00 0.19 H HETATM 1880 CB MET A 1 -3.661 -7.582 26.467 1.00 -0.00 C HETATM 1881 CG MET A 1 -4.743 -7.166 25.495 1.00 0.00 C HETATM 1882 CD MET A 1 -5.011 -5.693 25.527 1.00 0.04 C HETATM 1883 OE1 MET A 1 -5.843 -5.256 26.342 1.00 -0.57 O HETATM 1884 OE2 MET A 1 -4.403 -4.943 24.733 1.00 -0.57 O HETATM 1885 H32 MET A 1 -5.671 -7.698 25.752 1.00 0.04 H HETATM 1886 H33 MET A 1 -4.429 -7.445 24.478 1.00 0.04 H HETATM 1887 H30 MET A 1 -2.724 -7.086 26.173 1.00 0.03 H HETATM 1888 H31 MET A 1 -3.954 -7.247 27.473 1.00 0.03 H HETATM 1889 H29 MET A 1 -4.371 -9.588 26.669 1.00 0.08 H HETATM 1890 H28 MET A 1 -1.565 -9.058 27.516 1.00 0.19 H HETATM 1891 CB MET A 1 -1.924 -11.787 30.256 1.00 -0.02 C HETATM 1892 H25 MET A 1 -2.123 -12.560 29.499 1.00 0.03 H HETATM 1893 H26 MET A 1 -2.780 -11.717 30.943 1.00 0.03 H HETATM 1894 H27 MET A 1 -1.020 -12.054 30.823 1.00 0.03 H HETATM 1895 H24 MET A 1 -0.805 -10.540 28.950 1.00 0.08 H HETATM 1896 H23 MET A 1 -0.548 -8.915 30.469 1.00 0.19 H HETATM 1897 CB MET A 1 -0.731 -8.389 33.272 1.00 -0.01 C HETATM 1898 CG MET A 1 0.075 -7.386 34.132 1.00 -0.04 C HETATM 1899 CD1 MET A 1 -0.791 -6.660 35.151 1.00 -0.06 C HETATM 1900 H17 MET A 1 -0.168 -5.963 35.731 1.00 0.02 H HETATM 1901 H18 MET A 1 -1.251 -7.393 35.830 1.00 0.02 H HETATM 1902 H19 MET A 1 -1.580 -6.099 34.629 1.00 0.02 H HETATM 1903 CD2 MET A 1 1.229 -8.094 34.818 1.00 -0.06 C HETATM 1904 H20 MET A 1 1.841 -8.611 34.065 1.00 0.02 H HETATM 1905 H21 MET A 1 0.834 -8.827 35.536 1.00 0.02 H HETATM 1906 H22 MET A 1 1.848 -7.356 35.350 1.00 0.02 H HETATM 1907 H16 MET A 1 0.495 -6.628 33.454 1.00 0.03 H HETATM 1908 H14 MET A 1 -0.007 -8.943 32.656 1.00 0.03 H HETATM 1909 H15 MET A 1 -1.230 -9.083 33.965 1.00 0.03 H HETATM 1910 H13 MET A 1 -1.362 -7.048 31.699 1.00 0.08 H HETATM 1911 H12 MET A 1 -3.371 -7.777 33.755 1.00 0.19 H HETATM 1912 CB MET A 1 -4.255 -4.510 34.450 1.00 0.02 C HETATM 1913 CG MET A 1 -5.434 -3.939 35.225 1.00 0.00 C HETATM 1914 SD MET A 1 -4.957 -2.601 36.340 1.00 -0.16 S HETATM 1915 CE MET A 1 -6.540 -2.204 37.076 1.00 -0.02 C HETATM 1916 H9 MET A 1 -6.413 -1.384 37.798 1.00 0.03 H HETATM 1917 H10 MET A 1 -6.936 -3.090 37.593 1.00 0.03 H HETATM 1918 H11 MET A 1 -7.243 -1.894 36.289 1.00 0.03 H HETATM 1919 H7 MET A 1 -5.888 -4.746 35.819 1.00 0.04 H HETATM 1920 H8 MET A 1 -6.172 -3.552 34.507 1.00 0.04 H HETATM 1921 H5 MET A 1 -3.799 -3.698 33.865 1.00 0.04 H HETATM 1922 H6 MET A 1 -3.522 -4.899 35.172 1.00 0.04 H HETATM 1923 H4 MET A 1 -5.392 -5.267 32.785 1.00 0.11 H HETATM 1924 H1 MET A 1 -6.006 -6.477 34.737 1.00 0.20 H HETATM 1925 H2 MET A 1 -4.509 -7.150 34.849 1.00 0.20 H HETATM 1926 H3 MET A 1 -5.471 -7.496 33.560 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1675 1676 1924 1925 1926 CONECT 1676 1675 1677 1912 1923 CONECT 1677 1676 1678 1679 CONECT 1678 1677 CONECT 1679 1677 1680 1911 CONECT 1680 1679 1681 1897 1910 CONECT 1681 1680 1682 1683 CONECT 1682 1681 CONECT 1683 1681 1684 1896 CONECT 1684 1683 1685 1891 1895 CONECT 1685 1684 1686 1687 CONECT 1686 1685 CONECT 1687 1685 1688 1890 CONECT 1688 1687 1689 1880 1889 CONECT 1689 1688 1690 1691 CONECT 1690 1689 CONECT 1691 1689 1692 1879 CONECT 1692 1691 1693 1865 1878 CONECT 1693 1692 1694 1695 CONECT 1694 1693 CONECT 1695 1693 1696 1864 CONECT 1696 1695 1697 1848 1863 CONECT 1697 1696 1698 1699 CONECT 1698 1697 CONECT 1699 1697 1700 1847 CONECT 1700 1699 1701 1845 1846 CONECT 1701 1700 1702 1703 CONECT 1702 1701 CONECT 1703 1701 1704 1844 CONECT 1704 1703 1705 1838 1843 CONECT 1705 1704 1706 1707 CONECT 1706 1705 CONECT 1707 1705 1708 1837 CONECT 1708 1707 1709 1830 1836 CONECT 1709 1708 1710 1711 CONECT 1710 1709 CONECT 1711 1709 1712 1822 CONECT 1712 1711 1713 1820 1829 CONECT 1713 1712 1714 1715 CONECT 1714 1713 CONECT 1715 1713 1716 1819 CONECT 1716 1715 1717 1807 1818 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 1720 1806 CONECT 1720 1719 1721 1796 1805 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1795 CONECT 1724 1723 1725 1785 1794 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1784 CONECT 1728 1727 1729 1770 1783 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 1732 1769 CONECT 1732 1731 1733 1755 1768 CONECT 1733 1732 1734 1735 CONECT 1734 1733 CONECT 1735 1733 1736 1754 CONECT 1736 1735 1737 1740 1753 CONECT 1737 1736 1738 1739 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1736 1741 1748 1752 CONECT 1741 1740 1742 1746 1747 CONECT 1742 1741 1743 1744 1745 CONECT 1743 1742 CONECT 1744 1742 CONECT 1745 1742 CONECT 1746 1741 CONECT 1747 1741 CONECT 1748 1740 1749 1750 1751 CONECT 1749 1748 CONECT 1750 1748 CONECT 1751 1748 CONECT 1752 1740 CONECT 1753 1736 CONECT 1754 1735 CONECT 1755 1732 1756 1763 1767 CONECT 1756 1755 1757 1761 1762 CONECT 1757 1756 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 CONECT 1761 1756 CONECT 1762 1756 CONECT 1763 1755 1764 1765 1766 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1763 CONECT 1767 1755 CONECT 1768 1732 CONECT 1769 1731 CONECT 1770 1728 1771 1781 1782 CONECT 1771 1770 1772 1776 1780 CONECT 1772 1771 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1771 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1771 CONECT 1781 1770 CONECT 1782 1770 CONECT 1783 1728 CONECT 1784 1727 CONECT 1785 1724 1786 1792 1793 CONECT 1786 1785 1787 1790 1791 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 CONECT 1790 1786 CONECT 1791 1786 CONECT 1792 1785 CONECT 1793 1785 CONECT 1794 1724 CONECT 1795 1723 CONECT 1796 1720 1797 1803 1804 CONECT 1797 1796 1798 1801 1802 CONECT 1798 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 CONECT 1801 1797 CONECT 1802 1797 CONECT 1803 1796 CONECT 1804 1796 CONECT 1805 1720 CONECT 1806 1719 CONECT 1807 1716 1808 1816 1817 CONECT 1808 1807 1809 1814 1815 CONECT 1809 1808 1810 1811 CONECT 1810 1809 CONECT 1811 1809 1812 1813 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1808 CONECT 1815 1808 CONECT 1816 1807 CONECT 1817 1807 CONECT 1818 1716 CONECT 1819 1715 CONECT 1820 1712 1821 1827 1828 CONECT 1821 1820 1822 1825 1826 CONECT 1822 1711 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1821 CONECT 1826 1821 CONECT 1827 1820 CONECT 1828 1820 CONECT 1829 1712 CONECT 1830 1708 1831 1834 1835 CONECT 1831 1830 1832 1833 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1830 CONECT 1835 1830 CONECT 1836 1708 CONECT 1837 1707 CONECT 1838 1704 1839 1841 1842 CONECT 1839 1838 1840 CONECT 1840 1839 CONECT 1841 1838 CONECT 1842 1838 CONECT 1843 1704 CONECT 1844 1703 CONECT 1845 1700 CONECT 1846 1700 CONECT 1847 1699 CONECT 1848 1696 1849 1861 1862 CONECT 1849 1848 1850 1854 CONECT 1850 1849 1851 1860 CONECT 1851 1850 1852 1859 CONECT 1852 1851 1853 1857 CONECT 1853 1852 1854 1856 CONECT 1854 1849 1853 1855 CONECT 1855 1854 CONECT 1856 1853 CONECT 1857 1852 1858 CONECT 1858 1857 CONECT 1859 1851 CONECT 1860 1850 CONECT 1861 1848 CONECT 1862 1848 CONECT 1863 1696 CONECT 1864 1695 CONECT 1865 1692 1866 1876 1877 CONECT 1866 1865 1867 1871 1875 CONECT 1867 1866 1868 1869 1870 CONECT 1868 1867 CONECT 1869 1867 CONECT 1870 1867 CONECT 1871 1866 1872 1873 1874 CONECT 1872 1871 CONECT 1873 1871 CONECT 1874 1871 CONECT 1875 1866 CONECT 1876 1865 CONECT 1877 1865 CONECT 1878 1692 CONECT 1879 1691 CONECT 1880 1688 1881 1887 1888 CONECT 1881 1880 1882 1885 1886 CONECT 1882 1881 1883 1884 CONECT 1883 1882 CONECT 1884 1882 CONECT 1885 1881 CONECT 1886 1881 CONECT 1887 1880 CONECT 1888 1880 CONECT 1889 1688 CONECT 1890 1687 CONECT 1891 1684 1892 1893 1894 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1891 CONECT 1895 1684 CONECT 1896 1683 CONECT 1897 1680 1898 1908 1909 CONECT 1898 1897 1899 1903 1907 CONECT 1899 1898 1900 1901 1902 CONECT 1900 1899 CONECT 1901 1899 CONECT 1902 1899 CONECT 1903 1898 1904 1905 1906 CONECT 1904 1903 CONECT 1905 1903 CONECT 1906 1903 CONECT 1907 1898 CONECT 1908 1897 CONECT 1909 1897 CONECT 1910 1680 CONECT 1911 1679 CONECT 1912 1676 1913 1921 1922 CONECT 1913 1912 1914 1919 1920 CONECT 1914 1913 1915 CONECT 1915 1914 1916 1917 1918 CONECT 1916 1915 CONECT 1917 1915 CONECT 1918 1915 CONECT 1919 1913 CONECT 1920 1913 CONECT 1921 1912 CONECT 1922 1912 CONECT 1923 1676 CONECT 1924 1675 CONECT 1925 1675 CONECT 1926 1675 MASTER 0 0 0 0 0 0 0 0 1925 1 256 9 END
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16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
2koh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mouse Partitioning defective 3 homolog, PDZ 3 domain
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=6uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Biochemistry Vol. 49: pp. 951-957
Ligand Properties
Formula
C
8
1
H
1
3
0
N
1
7
O
2
8
S
Molecular Weight
1822.060
Exact Mass
1820.900
No. of atoms
257
No. of bonds
258
Polar Surface Area
750.7
LOGP Value
3.62 (
Computed with XLOGP3
)
1.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 28
No. of Rotatable Bonds: 72
No. of Nitrogen and Oxygen Atoms: 45
No. of Rings: 2
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)N)CC(=O)O)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)C)CC(C)C)[NH3+]
InChI String
InChI=1S/C81H129N17O28S/c1-13-42(9)65(79(123)97-66(81(125)126)43(10)14-2)96-76(120)54(34-41(7)8)93-73(117)51(24-28-63(107)108)89-71(115)50(23-27-62(105)106)88-70(114)48(21-25-59(83)101)90-78(122)58-16-15-30-98(58)80(124)56(36-64(109)110)95-77(121)57(38-99)86-60(102)37-84-69(113)55(35-45-17-19-46(100)20-18-45)94-75(119)53(33-40(5)6)92-72(116)49(22-26-61(103)104)87-67(111)44(11)85-74(118)52(32-39(3)4)91-68(112)47(82)29-31-127-12/h17-20,39-44,47-58,65-66,99-100H,13-16,21-38,82H2,1-12H3,(H2,83,101)(H,84,113)(H,85,118)(H,86,102)(H,87,111)(H,88,114)(H,89,115)(H,90,122)(H,91,112)(H,92,116)(H,93,117)(H,94,119)(H,95,121)(H,96,120)(H,97,123)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,125,126)/p+1/t42-,43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-,66-/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):
P55284
Q99NH2
Entrez Gene ID
NCBI Entrez Gene ID:
12562
93742
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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