Browse entries in the PDBbind-CN Database
HEADER 2LCS_COMPLEX COMPND 2LCS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 MET ALA ILE VAL ASN GLN ARG ALA VAL ALA LEU TYR ASP SEQRES 2 A 67 PHE GLU PRO GLU ASN ASP ASN GLU LEU ARG LEU ALA GLU SEQRES 3 A 67 GLY ASP ILE VAL PHE ILE SER TYR LYS HIS GLY GLN GLY SEQRES 4 A 67 TRP LEU VAL ALA GLU ASN GLU SER GLY SER LYS THR GLY SEQRES 5 A 67 LEU VAL PRO GLU GLU PHE VAL SER TYR ILE GLN PRO GLU SEQRES 6 A 67 LEU GLU HET GLY A 68 240 ATOM 1 N MET A -4 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A -4 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A -4 2.036 -1.369 -1.915 1.00 11.33 C ATOM 4 O MET A -4 3.038 -2.080 -1.981 1.00 33.22 O ATOM 5 CB MET A -4 3.548 0.387 -0.972 1.00 13.43 C ATOM 6 CG MET A -4 3.697 1.709 -0.236 1.00 3.02 C ATOM 7 SD MET A -4 3.146 3.117 -1.218 1.00 15.03 S ATOM 8 CE MET A -4 3.223 4.429 -0.001 1.00 52.32 C ATOM 9 HA MET A -4 1.647 0.733 -1.913 1.00 0.00 H ATOM 10 HB2 MET A -4 4.008 -0.397 -0.371 1.00 0.00 H ATOM 11 HB3 MET A -4 4.068 0.463 -1.927 1.00 0.00 H ATOM 12 HG2 MET A -4 4.747 1.850 0.018 1.00 0.00 H ATOM 13 HG3 MET A -4 3.105 1.668 0.678 1.00 0.00 H ATOM 14 HE1 MET A -4 2.560 4.191 0.831 1.00 0.00 H ATOM 15 HE2 MET A -4 4.246 4.525 0.364 1.00 0.00 H ATOM 16 HE3 MET A -4 2.910 5.367 -0.460 1.00 0.00 H ATOM 17 HN3 MET A -4 1.724 -0.710 0.649 1.00 0.00 H ATOM 18 HN2 MET A -4 0.336 -0.231 -0.205 1.00 0.00 H ATOM 19 HN1 MET A -4 1.384 0.942 0.438 1.00 0.00 H ATOM 20 N ALA A -3 0.858 -1.730 -2.412 1.00 34.21 N ATOM 21 CA ALA A -3 0.671 -3.012 -3.080 1.00 43.15 C ATOM 22 C ALA A -3 1.230 -2.977 -4.499 1.00 75.41 C ATOM 23 O ALA A -3 0.477 -3.002 -5.473 1.00 75.41 O ATOM 24 CB ALA A -3 -0.803 -3.387 -3.100 1.00 71.43 C ATOM 25 HA ALA A -3 1.219 -3.770 -2.520 1.00 0.00 H ATOM 26 HB1 ALA A -3 -1.172 -3.461 -2.077 1.00 0.00 H ATOM 27 HB2 ALA A -3 -1.364 -2.621 -3.635 1.00 0.00 H ATOM 28 HB3 ALA A -3 -0.926 -4.347 -3.602 1.00 0.00 H ATOM 29 H ALA A -3 0.049 -1.082 -2.322 1.00 0.00 H ATOM 30 N ILE A -2 2.552 -2.919 -4.608 1.00 65.20 N ATOM 31 CA ILE A -2 3.210 -2.882 -5.908 1.00 45.41 C ATOM 32 C ILE A -2 4.293 -3.951 -6.007 1.00 42.14 C ATOM 33 O ILE A -2 5.070 -4.151 -5.074 1.00 24.41 O ATOM 34 CB ILE A -2 3.840 -1.503 -6.181 1.00 10.32 C ATOM 35 CG1 ILE A -2 2.793 -0.399 -6.020 1.00 13.10 C ATOM 36 CG2 ILE A -2 4.448 -1.464 -7.575 1.00 21.52 C ATOM 37 CD1 ILE A -2 3.374 0.997 -6.063 1.00 63.23 C ATOM 38 HA ILE A -2 2.441 -3.076 -6.656 1.00 0.00 H ATOM 39 HB ILE A -2 4.635 -1.333 -5.455 1.00 0.00 H ATOM 40 HG12 ILE A -2 2.064 -0.494 -6.825 1.00 0.00 H ATOM 41 HG13 ILE A -2 2.293 -0.535 -5.061 1.00 0.00 H ATOM 42 HD11 ILE A -2 4.097 1.113 -5.256 1.00 0.00 H ATOM 43 HD12 ILE A -2 3.869 1.154 -7.021 1.00 0.00 H ATOM 44 HD13 ILE A -2 2.573 1.726 -5.942 1.00 0.00 H ATOM 45 HG21 ILE A -2 5.220 -2.230 -7.655 1.00 0.00 H ATOM 46 HG22 ILE A -2 3.670 -1.652 -8.315 1.00 0.00 H ATOM 47 HG23 ILE A -2 4.888 -0.483 -7.751 1.00 0.00 H ATOM 48 H ILE A -2 3.132 -2.900 -3.745 1.00 0.00 H ATOM 49 N VAL A -1 4.339 -4.634 -7.146 1.00 65.55 N ATOM 50 CA VAL A -1 5.329 -5.682 -7.370 1.00 11.21 C ATOM 51 C VAL A -1 6.438 -5.201 -8.299 1.00 74.14 C ATOM 52 O VAL A -1 7.576 -5.660 -8.213 1.00 52.34 O ATOM 53 CB VAL A -1 4.683 -6.945 -7.969 1.00 63.32 C ATOM 54 CG1 VAL A -1 5.722 -8.043 -8.147 1.00 15.33 C ATOM 55 CG2 VAL A -1 3.535 -7.423 -7.093 1.00 40.02 C ATOM 56 HA VAL A -1 5.756 -5.928 -6.398 1.00 0.00 H ATOM 57 HB VAL A -1 4.281 -6.696 -8.951 1.00 0.00 H ATOM 58 HG11 VAL A -1 6.506 -7.694 -8.818 1.00 0.00 H ATOM 59 HG12 VAL A -1 6.155 -8.292 -7.178 1.00 0.00 H ATOM 60 HG13 VAL A -1 5.246 -8.927 -8.571 1.00 0.00 H ATOM 61 HG21 VAL A -1 3.912 -7.656 -6.097 1.00 0.00 H ATOM 62 HG22 VAL A -1 2.782 -6.638 -7.023 1.00 0.00 H ATOM 63 HG23 VAL A -1 3.091 -8.316 -7.533 1.00 0.00 H ATOM 64 H VAL A -1 3.652 -4.416 -7.896 1.00 0.00 H ATOM 65 N ASN A 1 6.096 -4.273 -9.188 1.00 65.51 N ATOM 66 CA ASN A 1 7.063 -3.730 -10.135 1.00 4.22 C ATOM 67 C ASN A 1 7.594 -4.822 -11.059 1.00 34.14 C ATOM 68 O ASN A 1 8.803 -5.017 -11.174 1.00 21.54 O ATOM 69 CB ASN A 1 8.224 -3.070 -9.388 1.00 24.22 C ATOM 70 CG ASN A 1 7.750 -2.136 -8.291 1.00 61.22 C ATOM 71 OD1 ASN A 1 7.826 -2.463 -7.107 1.00 2.44 O ATOM 72 ND2 ASN A 1 7.257 -0.967 -8.682 1.00 50.14 N ATOM 73 HA ASN A 1 6.556 -2.980 -10.742 1.00 0.00 H ATOM 74 HB2 ASN A 1 8.842 -3.849 -8.942 1.00 0.00 H ATOM 75 HB3 ASN A 1 8.820 -2.500 -10.101 1.00 0.00 H ATOM 76 HD22 ASN A 1 7.213 -0.734 -9.695 1.00 0.00 H ATOM 77 HD21 ASN A 1 6.915 -0.284 -7.976 1.00 0.00 H ATOM 78 H ASN A 1 5.116 -3.926 -9.208 1.00 0.00 H ATOM 79 N GLN A 2 6.680 -5.530 -11.715 1.00 14.24 N ATOM 80 CA GLN A 2 7.056 -6.602 -12.628 1.00 75.22 C ATOM 81 C GLN A 2 6.792 -6.202 -14.076 1.00 13.41 C ATOM 82 O GLN A 2 5.672 -5.837 -14.435 1.00 1.30 O ATOM 83 CB GLN A 2 6.286 -7.881 -12.292 1.00 14.51 C ATOM 84 CG GLN A 2 6.809 -9.113 -13.012 1.00 31.04 C ATOM 85 CD GLN A 2 8.256 -9.414 -12.676 1.00 63.22 C ATOM 86 OE1 GLN A 2 8.758 -9.014 -11.625 1.00 62.43 O ATOM 87 NE2 GLN A 2 8.936 -10.123 -13.570 1.00 22.11 N ATOM 88 HA GLN A 2 8.124 -6.787 -12.510 1.00 0.00 H ATOM 89 HB2 GLN A 2 6.356 -8.054 -11.218 1.00 0.00 H ATOM 90 HB3 GLN A 2 5.241 -7.737 -12.568 1.00 0.00 H ATOM 91 HG2 GLN A 2 6.199 -9.970 -12.727 1.00 0.00 H ATOM 92 HG3 GLN A 2 6.726 -8.951 -14.087 1.00 0.00 H ATOM 93 HE22 GLN A 2 8.471 -10.440 -14.445 1.00 0.00 H ATOM 94 HE21 GLN A 2 9.933 -10.361 -13.395 1.00 0.00 H ATOM 95 H GLN A 2 5.673 -5.314 -11.573 1.00 0.00 H ATOM 96 N ARG A 3 7.830 -6.272 -14.903 1.00 11.23 N ATOM 97 CA ARG A 3 7.710 -5.915 -16.311 1.00 44.11 C ATOM 98 C ARG A 3 6.972 -7.002 -17.087 1.00 3.02 C ATOM 99 O ARG A 3 6.853 -8.136 -16.624 1.00 53.01 O ATOM 100 CB ARG A 3 9.095 -5.689 -16.921 1.00 50.12 C ATOM 101 CG ARG A 3 9.860 -6.975 -17.189 1.00 12.20 C ATOM 102 CD ARG A 3 11.343 -6.812 -16.897 1.00 43.34 C ATOM 103 NE ARG A 3 12.077 -8.062 -17.075 1.00 52.14 N ATOM 104 CZ ARG A 3 13.394 -8.125 -17.237 1.00 12.31 C ATOM 105 NH1 ARG A 3 14.118 -7.014 -17.242 1.00 61.12 N ATOM 106 NH2 ARG A 3 13.989 -9.300 -17.393 1.00 21.30 N ATOM 107 HA ARG A 3 7.135 -4.991 -16.378 1.00 0.00 H ATOM 108 HB2 ARG A 3 8.973 -5.157 -17.865 1.00 0.00 H ATOM 109 HB3 ARG A 3 9.679 -5.077 -16.233 1.00 0.00 H ATOM 110 HG2 ARG A 3 9.458 -7.765 -16.555 1.00 0.00 H ATOM 111 HG3 ARG A 3 9.733 -7.251 -18.236 1.00 0.00 H ATOM 112 HD2 ARG A 3 11.464 -6.476 -15.867 1.00 0.00 H ATOM 113 HD3 ARG A 3 11.755 -6.063 -17.573 1.00 0.00 H ATOM 114 HE ARG A 3 11.539 -8.952 -17.075 1.00 0.00 H ATOM 115 HH12 ARG A 3 15.149 -7.066 -17.369 1.00 0.00 H ATOM 116 HH11 ARG A 3 13.655 -6.091 -17.119 1.00 0.00 H ATOM 117 HH22 ARG A 3 15.020 -9.348 -17.520 1.00 0.00 H ATOM 118 HH21 ARG A 3 13.424 -10.173 -17.389 1.00 0.00 H ATOM 119 H ARG A 3 8.750 -6.589 -14.537 1.00 0.00 H ATOM 120 N ALA A 4 6.479 -6.647 -18.269 1.00 13.04 N ATOM 121 CA ALA A 4 5.754 -7.592 -19.109 1.00 31.12 C ATOM 122 C ALA A 4 5.786 -7.163 -20.572 1.00 2.12 C ATOM 123 O ALA A 4 5.944 -5.981 -20.879 1.00 70.43 O ATOM 124 CB ALA A 4 4.317 -7.730 -18.629 1.00 74.30 C ATOM 125 HA ALA A 4 6.246 -8.561 -19.031 1.00 0.00 H ATOM 126 HB1 ALA A 4 4.312 -8.091 -17.600 1.00 0.00 H ATOM 127 HB2 ALA A 4 3.824 -6.759 -18.677 1.00 0.00 H ATOM 128 HB3 ALA A 4 3.789 -8.439 -19.266 1.00 0.00 H ATOM 129 H ALA A 4 6.614 -5.671 -18.603 1.00 0.00 H ATOM 130 N VAL A 5 5.637 -8.130 -21.471 1.00 35.40 N ATOM 131 CA VAL A 5 5.648 -7.852 -22.902 1.00 62.42 C ATOM 132 C VAL A 5 4.239 -7.895 -23.482 1.00 31.01 C ATOM 133 O VAL A 5 3.376 -8.622 -22.990 1.00 1.52 O ATOM 134 CB VAL A 5 6.535 -8.857 -23.662 1.00 34.21 C ATOM 135 CG1 VAL A 5 5.926 -10.250 -23.612 1.00 24.55 C ATOM 136 CG2 VAL A 5 6.737 -8.407 -25.101 1.00 2.33 C ATOM 137 HA VAL A 5 6.058 -6.850 -23.026 1.00 0.00 H ATOM 138 HB VAL A 5 7.510 -8.894 -23.176 1.00 0.00 H ATOM 139 HG11 VAL A 5 5.838 -10.570 -22.574 1.00 0.00 H ATOM 140 HG12 VAL A 5 4.938 -10.230 -24.072 1.00 0.00 H ATOM 141 HG13 VAL A 5 6.567 -10.945 -24.154 1.00 0.00 H ATOM 142 HG21 VAL A 5 5.770 -8.340 -25.599 1.00 0.00 H ATOM 143 HG22 VAL A 5 7.220 -7.430 -25.110 1.00 0.00 H ATOM 144 HG23 VAL A 5 7.366 -9.129 -25.621 1.00 0.00 H ATOM 145 H VAL A 5 5.509 -9.110 -21.146 1.00 0.00 H ATOM 146 N ALA A 6 4.013 -7.112 -24.531 1.00 54.53 N ATOM 147 CA ALA A 6 2.708 -7.061 -25.180 1.00 64.52 C ATOM 148 C ALA A 6 2.603 -8.111 -26.281 1.00 75.04 C ATOM 149 O ALA A 6 3.183 -7.958 -27.357 1.00 51.00 O ATOM 150 CB ALA A 6 2.453 -5.672 -25.746 1.00 65.32 C ATOM 151 HA ALA A 6 1.948 -7.280 -24.430 1.00 0.00 H ATOM 152 HB1 ALA A 6 2.478 -4.941 -24.937 1.00 0.00 H ATOM 153 HB2 ALA A 6 3.224 -5.432 -26.478 1.00 0.00 H ATOM 154 HB3 ALA A 6 1.475 -5.651 -26.227 1.00 0.00 H ATOM 155 H ALA A 6 4.786 -6.521 -24.898 1.00 0.00 H ATOM 156 N LEU A 7 1.859 -9.177 -26.006 1.00 62.15 N ATOM 157 CA LEU A 7 1.678 -10.253 -26.974 1.00 73.53 C ATOM 158 C LEU A 7 0.813 -9.794 -28.144 1.00 30.12 C ATOM 159 O LEU A 7 1.047 -10.178 -29.290 1.00 52.32 O ATOM 160 CB LEU A 7 1.040 -11.470 -26.300 1.00 52.44 C ATOM 161 CG LEU A 7 1.592 -11.840 -24.923 1.00 75.23 C ATOM 162 CD1 LEU A 7 0.790 -12.981 -24.316 1.00 55.22 C ATOM 163 CD2 LEU A 7 3.063 -12.214 -25.021 1.00 44.34 C ATOM 164 HA LEU A 7 2.659 -10.531 -27.359 1.00 0.00 H ATOM 165 HB2 LEU A 7 -0.026 -11.270 -26.190 1.00 0.00 H ATOM 166 HB3 LEU A 7 1.181 -12.328 -26.958 1.00 0.00 H ATOM 167 HG LEU A 7 1.501 -10.971 -24.271 1.00 0.00 H ATOM 168 HD21 LEU A 7 3.176 -13.068 -25.689 1.00 0.00 H ATOM 169 HD22 LEU A 7 3.627 -11.367 -25.413 1.00 0.00 H ATOM 170 HD23 LEU A 7 3.437 -12.474 -24.031 1.00 0.00 H ATOM 171 HD11 LEU A 7 -0.251 -12.676 -24.210 1.00 0.00 H ATOM 172 HD12 LEU A 7 0.850 -13.853 -24.968 1.00 0.00 H ATOM 173 HD13 LEU A 7 1.198 -13.230 -23.336 1.00 0.00 H ATOM 174 H LEU A 7 1.394 -9.246 -25.078 1.00 0.00 H ATOM 175 N TYR A 8 -0.185 -8.969 -27.847 1.00 22.23 N ATOM 176 CA TYR A 8 -1.085 -8.457 -28.873 1.00 63.34 C ATOM 177 C TYR A 8 -1.489 -7.017 -28.575 1.00 4.32 C ATOM 178 O TYR A 8 -1.442 -6.572 -27.428 1.00 23.03 O ATOM 179 CB TYR A 8 -2.331 -9.338 -28.974 1.00 14.23 C ATOM 180 CG TYR A 8 -2.056 -10.806 -28.740 1.00 32.03 C ATOM 181 CD1 TYR A 8 -1.450 -11.584 -29.718 1.00 62.11 C ATOM 182 CD2 TYR A 8 -2.402 -11.415 -27.539 1.00 43.14 C ATOM 183 CE1 TYR A 8 -1.197 -12.926 -29.509 1.00 13.03 C ATOM 184 CE2 TYR A 8 -2.152 -12.756 -27.321 1.00 4.12 C ATOM 185 CZ TYR A 8 -1.550 -13.507 -28.309 1.00 23.25 C ATOM 186 OH TYR A 8 -1.299 -14.843 -28.096 1.00 25.34 O ATOM 187 HA TYR A 8 -0.556 -8.476 -29.826 1.00 0.00 H ATOM 188 HB3 TYR A 8 -2.756 -9.222 -29.971 1.00 0.00 H ATOM 189 HB2 TYR A 8 -3.053 -9.000 -28.231 1.00 0.00 H ATOM 190 HD2 TYR A 8 -2.878 -10.825 -26.756 1.00 0.00 H ATOM 191 HE2 TYR A 8 -2.429 -13.218 -26.373 1.00 0.00 H ATOM 192 HE1 TYR A 8 -0.721 -13.522 -30.288 1.00 0.00 H ATOM 193 HD1 TYR A 8 -1.169 -11.128 -30.667 1.00 0.00 H ATOM 194 HH TYR A 8 -0.867 -15.229 -28.899 1.00 0.00 H ATOM 195 H TYR A 8 -0.328 -8.681 -26.858 1.00 0.00 H ATOM 196 N ASP A 9 -1.886 -6.293 -29.615 1.00 42.15 N ATOM 197 CA ASP A 9 -2.300 -4.903 -29.466 1.00 51.34 C ATOM 198 C ASP A 9 -3.725 -4.815 -28.930 1.00 15.01 C ATOM 199 O ASP A 9 -4.615 -5.536 -29.382 1.00 14.04 O ATOM 200 CB ASP A 9 -2.200 -4.172 -30.806 1.00 75.04 C ATOM 201 CG ASP A 9 -3.277 -4.604 -31.783 1.00 0.23 C ATOM 202 OD1 ASP A 9 -4.387 -4.034 -31.732 1.00 74.11 O ATOM 203 OD2 ASP A 9 -3.009 -5.511 -32.598 1.00 2.40 O ATOM 204 HA ASP A 9 -1.631 -4.426 -28.750 1.00 0.00 H ATOM 205 HB2 ASP A 9 -2.297 -3.101 -30.629 1.00 0.00 H ATOM 206 HB3 ASP A 9 -1.225 -4.379 -31.246 1.00 0.00 H ATOM 207 H ASP A 9 -1.902 -6.728 -30.559 1.00 0.00 H ATOM 208 N PHE A 10 -3.935 -3.928 -27.963 1.00 3.21 N ATOM 209 CA PHE A 10 -5.252 -3.747 -27.363 1.00 24.20 C ATOM 210 C PHE A 10 -5.577 -2.265 -27.202 1.00 30.24 C ATOM 211 O PHE A 10 -4.692 -1.449 -26.947 1.00 62.41 O ATOM 212 CB PHE A 10 -5.316 -4.446 -26.003 1.00 72.14 C ATOM 213 CG PHE A 10 -6.372 -3.888 -25.092 1.00 5.00 C ATOM 214 CD1 PHE A 10 -7.694 -4.280 -25.220 1.00 53.03 C ATOM 215 CD2 PHE A 10 -6.041 -2.972 -24.107 1.00 2.23 C ATOM 216 CE1 PHE A 10 -8.667 -3.767 -24.383 1.00 74.24 C ATOM 217 CE2 PHE A 10 -7.010 -2.456 -23.266 1.00 44.15 C ATOM 218 CZ PHE A 10 -8.324 -2.855 -23.405 1.00 34.05 C ATOM 219 HA PHE A 10 -5.992 -4.193 -28.028 1.00 0.00 H ATOM 220 HB2 PHE A 10 -5.525 -5.503 -26.167 1.00 0.00 H ATOM 221 HB3 PHE A 10 -4.347 -4.340 -25.514 1.00 0.00 H ATOM 222 HD2 PHE A 10 -5.005 -2.654 -23.993 1.00 0.00 H ATOM 223 HE2 PHE A 10 -6.737 -1.736 -22.495 1.00 0.00 H ATOM 224 HZ PHE A 10 -9.090 -2.450 -22.743 1.00 0.00 H ATOM 225 HE1 PHE A 10 -9.704 -4.082 -24.495 1.00 0.00 H ATOM 226 HD1 PHE A 10 -7.970 -5.001 -25.989 1.00 0.00 H ATOM 227 H PHE A 10 -3.140 -3.348 -27.626 1.00 0.00 H ATOM 228 N GLU A 11 -6.854 -1.926 -27.352 1.00 44.13 N ATOM 229 CA GLU A 11 -7.296 -0.542 -27.225 1.00 23.23 C ATOM 230 C GLU A 11 -8.244 -0.381 -26.040 1.00 23.02 C ATOM 231 O GLU A 11 -9.144 -1.191 -25.818 1.00 53.23 O ATOM 232 CB GLU A 11 -7.986 -0.084 -28.511 1.00 14.54 C ATOM 233 CG GLU A 11 -8.473 1.355 -28.460 1.00 75.22 C ATOM 234 CD GLU A 11 -9.614 1.619 -29.424 1.00 64.24 C ATOM 235 OE1 GLU A 11 -9.989 0.688 -30.168 1.00 25.11 O ATOM 236 OE2 GLU A 11 -10.131 2.755 -29.436 1.00 4.41 O ATOM 237 HA GLU A 11 -6.417 0.079 -27.052 1.00 0.00 H ATOM 238 HB2 GLU A 11 -7.279 -0.180 -29.335 1.00 0.00 H ATOM 239 HB3 GLU A 11 -8.843 -0.732 -28.692 1.00 0.00 H ATOM 240 HG2 GLU A 11 -8.813 1.573 -27.448 1.00 0.00 H ATOM 241 HG3 GLU A 11 -7.642 2.014 -28.713 1.00 0.00 H ATOM 242 H GLU A 11 -7.554 -2.665 -27.565 1.00 0.00 H ATOM 243 N PRO A 12 -8.037 0.690 -25.259 1.00 31.43 N ATOM 244 CA PRO A 12 -8.862 0.983 -24.083 1.00 54.02 C ATOM 245 C PRO A 12 -10.277 1.409 -24.460 1.00 34.40 C ATOM 246 O PRO A 12 -10.487 2.059 -25.483 1.00 53.02 O ATOM 247 CB PRO A 12 -8.119 2.138 -23.407 1.00 61.40 C ATOM 248 CG PRO A 12 -7.359 2.794 -24.507 1.00 5.30 C ATOM 249 CD PRO A 12 -6.982 1.697 -25.463 1.00 73.52 C ATOM 250 HA PRO A 12 -8.988 0.108 -23.445 1.00 0.00 H ATOM 251 HD3 PRO A 12 -6.981 2.058 -26.491 1.00 0.00 H ATOM 252 HD2 PRO A 12 -6.001 1.289 -25.222 1.00 0.00 H ATOM 253 HG3 PRO A 12 -6.465 3.278 -24.114 1.00 0.00 H ATOM 254 HG2 PRO A 12 -7.981 3.536 -25.008 1.00 0.00 H ATOM 255 HB2 PRO A 12 -8.823 2.837 -22.956 1.00 0.00 H ATOM 256 HB3 PRO A 12 -7.440 1.763 -22.641 1.00 0.00 H ATOM 257 N GLU A 13 -11.244 1.037 -23.626 1.00 40.52 N ATOM 258 CA GLU A 13 -12.639 1.381 -23.874 1.00 12.53 C ATOM 259 C GLU A 13 -13.116 2.454 -22.898 1.00 74.33 C ATOM 260 O GLU A 13 -14.121 3.122 -23.138 1.00 2.44 O ATOM 261 CB GLU A 13 -13.523 0.138 -23.754 1.00 51.24 C ATOM 262 CG GLU A 13 -13.729 -0.591 -25.071 1.00 65.24 C ATOM 263 CD GLU A 13 -14.836 0.018 -25.909 1.00 70.10 C ATOM 264 OE1 GLU A 13 -15.545 0.909 -25.396 1.00 51.12 O ATOM 265 OE2 GLU A 13 -14.994 -0.396 -27.076 1.00 70.14 O ATOM 266 HA GLU A 13 -12.715 1.775 -24.887 1.00 0.00 H ATOM 267 HB2 GLU A 13 -13.057 -0.550 -23.048 1.00 0.00 H ATOM 268 HB3 GLU A 13 -14.497 0.443 -23.373 1.00 0.00 H ATOM 269 HG2 GLU A 13 -12.800 -0.554 -25.640 1.00 0.00 H ATOM 270 HG3 GLU A 13 -13.983 -1.630 -24.859 1.00 0.00 H ATOM 271 H GLU A 13 -10.999 0.488 -22.777 1.00 0.00 H ATOM 272 N ASN A 14 -12.388 2.610 -21.798 1.00 12.34 N ATOM 273 CA ASN A 14 -12.737 3.600 -20.785 1.00 31.03 C ATOM 274 C ASN A 14 -11.707 4.725 -20.746 1.00 20.34 C ATOM 275 O ASN A 14 -10.700 4.683 -21.453 1.00 53.32 O ATOM 276 CB ASN A 14 -12.839 2.938 -19.409 1.00 2.30 C ATOM 277 CG ASN A 14 -14.185 2.278 -19.183 1.00 13.41 C ATOM 278 OD1 ASN A 14 -15.216 2.949 -19.128 1.00 73.13 O ATOM 279 ND2 ASN A 14 -14.182 0.957 -19.050 1.00 4.11 N ATOM 280 HA ASN A 14 -13.705 4.027 -21.048 1.00 0.00 H ATOM 281 HB2 ASN A 14 -12.059 2.181 -19.326 1.00 0.00 H ATOM 282 HB3 ASN A 14 -12.689 3.698 -18.643 1.00 0.00 H ATOM 283 HD22 ASN A 14 -13.286 0.431 -19.104 1.00 0.00 H ATOM 284 HD21 ASN A 14 -15.075 0.448 -18.892 1.00 0.00 H ATOM 285 H ASN A 14 -11.549 2.012 -21.656 1.00 0.00 H ATOM 286 N ASP A 15 -11.966 5.728 -19.914 1.00 22.31 N ATOM 287 CA ASP A 15 -11.061 6.863 -19.781 1.00 3.34 C ATOM 288 C ASP A 15 -10.056 6.628 -18.657 1.00 42.41 C ATOM 289 O ASP A 15 -9.470 7.572 -18.128 1.00 31.22 O ATOM 290 CB ASP A 15 -11.852 8.145 -19.514 1.00 61.22 C ATOM 291 CG ASP A 15 -12.471 8.716 -20.775 1.00 23.20 C ATOM 292 OD1 ASP A 15 -12.964 7.924 -21.605 1.00 24.43 O ATOM 293 OD2 ASP A 15 -12.461 9.955 -20.932 1.00 73.13 O ATOM 294 HA ASP A 15 -10.514 6.971 -20.717 1.00 0.00 H ATOM 295 HB2 ASP A 15 -12.648 7.924 -18.802 1.00 0.00 H ATOM 296 HB3 ASP A 15 -11.180 8.889 -19.086 1.00 0.00 H ATOM 297 H ASP A 15 -12.835 5.703 -19.344 1.00 0.00 H ATOM 298 N ASN A 16 -9.863 5.363 -18.298 1.00 2.43 N ATOM 299 CA ASN A 16 -8.930 5.004 -17.236 1.00 1.54 C ATOM 300 C ASN A 16 -8.121 3.769 -17.617 1.00 64.21 C ATOM 301 O ASN A 16 -7.445 3.175 -16.778 1.00 24.30 O ATOM 302 CB ASN A 16 -9.685 4.750 -15.930 1.00 12.05 C ATOM 303 CG ASN A 16 -11.057 4.147 -16.163 1.00 22.31 C ATOM 304 OD1 ASN A 16 -11.973 4.823 -16.631 1.00 31.33 O ATOM 305 ND2 ASN A 16 -11.204 2.868 -15.837 1.00 23.23 N ATOM 306 HA ASN A 16 -8.242 5.837 -17.094 1.00 0.00 H ATOM 307 HB2 ASN A 16 -9.101 4.065 -15.315 1.00 0.00 H ATOM 308 HB3 ASN A 16 -9.803 5.697 -15.404 1.00 0.00 H ATOM 309 HD22 ASN A 16 -10.401 2.336 -15.444 1.00 0.00 H ATOM 310 HD21 ASN A 16 -12.122 2.399 -15.974 1.00 0.00 H ATOM 311 H ASN A 16 -10.390 4.611 -18.786 1.00 0.00 H ATOM 312 N GLU A 17 -8.195 3.389 -18.889 1.00 22.21 N ATOM 313 CA GLU A 17 -7.469 2.224 -19.381 1.00 20.31 C ATOM 314 C GLU A 17 -6.263 2.646 -20.214 1.00 44.35 C ATOM 315 O GLU A 17 -6.229 3.748 -20.764 1.00 5.21 O ATOM 316 CB GLU A 17 -8.393 1.334 -20.216 1.00 11.55 C ATOM 317 CG GLU A 17 -9.431 0.592 -19.391 1.00 21.31 C ATOM 318 CD GLU A 17 -9.870 -0.707 -20.039 1.00 14.02 C ATOM 319 OE1 GLU A 17 -10.136 -0.700 -21.259 1.00 64.32 O ATOM 320 OE2 GLU A 17 -9.949 -1.729 -19.326 1.00 73.21 O ATOM 321 HA GLU A 17 -7.114 1.659 -18.519 1.00 0.00 H ATOM 322 HB2 GLU A 17 -8.912 1.960 -20.941 1.00 0.00 H ATOM 323 HB3 GLU A 17 -7.782 0.601 -20.742 1.00 0.00 H ATOM 324 HG2 GLU A 17 -9.005 0.368 -18.413 1.00 0.00 H ATOM 325 HG3 GLU A 17 -10.304 1.234 -19.268 1.00 0.00 H ATOM 326 H GLU A 17 -8.785 3.936 -19.549 1.00 0.00 H ATOM 327 N LEU A 18 -5.274 1.763 -20.304 1.00 12.34 N ATOM 328 CA LEU A 18 -4.065 2.044 -21.069 1.00 64.45 C ATOM 329 C LEU A 18 -4.059 1.266 -22.382 1.00 4.22 C ATOM 330 O LEU A 18 -4.642 0.187 -22.478 1.00 35.42 O ATOM 331 CB LEU A 18 -2.824 1.690 -20.248 1.00 63.51 C ATOM 332 CG LEU A 18 -1.549 2.462 -20.591 1.00 32.32 C ATOM 333 CD1 LEU A 18 -0.950 3.085 -19.340 1.00 21.24 C ATOM 334 CD2 LEU A 18 -0.539 1.549 -21.270 1.00 71.25 C ATOM 335 HA LEU A 18 -4.049 3.109 -21.298 1.00 0.00 H ATOM 336 HB2 LEU A 18 -3.054 1.875 -19.199 1.00 0.00 H ATOM 337 HB3 LEU A 18 -2.620 0.629 -20.392 1.00 0.00 H ATOM 338 HG LEU A 18 -1.807 3.263 -21.283 1.00 0.00 H ATOM 339 HD21 LEU A 18 -0.286 0.727 -20.600 1.00 0.00 H ATOM 340 HD22 LEU A 18 -0.971 1.151 -22.189 1.00 0.00 H ATOM 341 HD23 LEU A 18 0.361 2.117 -21.506 1.00 0.00 H ATOM 342 HD11 LEU A 18 -1.671 3.771 -18.896 1.00 0.00 H ATOM 343 HD12 LEU A 18 -0.707 2.299 -18.625 1.00 0.00 H ATOM 344 HD13 LEU A 18 -0.044 3.630 -19.605 1.00 0.00 H ATOM 345 H LEU A 18 -5.365 0.849 -19.817 1.00 0.00 H ATOM 346 N ARG A 19 -3.393 1.821 -23.389 1.00 53.34 N ATOM 347 CA ARG A 19 -3.310 1.180 -24.696 1.00 33.51 C ATOM 348 C ARG A 19 -2.126 0.220 -24.756 1.00 25.32 C ATOM 349 O ARG A 19 -1.117 0.417 -24.076 1.00 55.51 O ATOM 350 CB ARG A 19 -3.183 2.233 -25.798 1.00 73.20 C ATOM 351 CG ARG A 19 -4.219 3.341 -25.704 1.00 10.25 C ATOM 352 CD ARG A 19 -3.626 4.691 -26.075 1.00 3.24 C ATOM 353 NE ARG A 19 -2.833 4.623 -27.299 1.00 60.33 N ATOM 354 CZ ARG A 19 -1.998 5.580 -27.689 1.00 31.32 C ATOM 355 NH1 ARG A 19 -1.848 6.673 -26.953 1.00 64.53 N ATOM 356 NH2 ARG A 19 -1.311 5.444 -28.816 1.00 53.40 N ATOM 357 HA ARG A 19 -4.226 0.610 -24.852 1.00 0.00 H ATOM 358 HB2 ARG A 19 -2.192 2.682 -25.734 1.00 0.00 H ATOM 359 HB3 ARG A 19 -3.294 1.738 -26.763 1.00 0.00 H ATOM 360 HG2 ARG A 19 -5.041 3.116 -26.383 1.00 0.00 H ATOM 361 HG3 ARG A 19 -4.596 3.388 -24.682 1.00 0.00 H ATOM 362 HD2 ARG A 19 -2.987 5.031 -25.260 1.00 0.00 H ATOM 363 HD3 ARG A 19 -4.437 5.404 -26.220 1.00 0.00 H ATOM 364 HE ARG A 19 -2.927 3.779 -27.899 1.00 0.00 H ATOM 365 HH12 ARG A 19 -1.194 7.421 -27.260 1.00 0.00 H ATOM 366 HH11 ARG A 19 -2.385 6.782 -26.069 1.00 0.00 H ATOM 367 HH22 ARG A 19 -0.658 6.194 -29.120 1.00 0.00 H ATOM 368 HH21 ARG A 19 -1.426 4.588 -29.395 1.00 0.00 H ATOM 369 H ARG A 19 -2.919 2.735 -23.241 1.00 0.00 H ATOM 370 N LEU A 20 -2.254 -0.820 -25.572 1.00 71.14 N ATOM 371 CA LEU A 20 -1.195 -1.812 -25.721 1.00 45.32 C ATOM 372 C LEU A 20 -0.968 -2.150 -27.191 1.00 42.12 C ATOM 373 O LEU A 20 -1.893 -2.098 -28.000 1.00 55.33 O ATOM 374 CB LEU A 20 -1.544 -3.081 -24.942 1.00 43.11 C ATOM 375 CG LEU A 20 -0.462 -3.608 -23.999 1.00 30.33 C ATOM 376 CD1 LEU A 20 0.062 -2.491 -23.110 1.00 21.22 C ATOM 377 CD2 LEU A 20 -1.002 -4.754 -23.156 1.00 31.33 C ATOM 378 HA LEU A 20 -0.275 -1.388 -25.319 1.00 0.00 H ATOM 379 HB2 LEU A 20 -2.433 -2.873 -24.347 1.00 0.00 H ATOM 380 HB3 LEU A 20 -1.768 -3.866 -25.665 1.00 0.00 H ATOM 381 HG LEU A 20 0.366 -3.984 -24.601 1.00 0.00 H ATOM 382 HD21 LEU A 20 -1.847 -4.402 -22.565 1.00 0.00 H ATOM 383 HD22 LEU A 20 -1.327 -5.563 -23.810 1.00 0.00 H ATOM 384 HD23 LEU A 20 -0.217 -5.116 -22.491 1.00 0.00 H ATOM 385 HD11 LEU A 20 0.487 -1.703 -23.731 1.00 0.00 H ATOM 386 HD12 LEU A 20 -0.758 -2.085 -22.517 1.00 0.00 H ATOM 387 HD13 LEU A 20 0.831 -2.887 -22.447 1.00 0.00 H ATOM 388 H LEU A 20 -3.132 -0.930 -26.119 1.00 0.00 H ATOM 389 N ALA A 21 0.269 -2.499 -27.529 1.00 4.32 N ATOM 390 CA ALA A 21 0.617 -2.850 -28.900 1.00 51.11 C ATOM 391 C ALA A 21 1.584 -4.028 -28.937 1.00 22.12 C ATOM 392 O ALA A 21 2.534 -4.087 -28.157 1.00 31.13 O ATOM 393 CB ALA A 21 1.217 -1.649 -29.616 1.00 61.25 C ATOM 394 HA ALA A 21 -0.296 -3.148 -29.415 1.00 0.00 H ATOM 395 HB1 ALA A 21 0.491 -0.836 -29.629 1.00 0.00 H ATOM 396 HB2 ALA A 21 2.116 -1.327 -29.091 1.00 0.00 H ATOM 397 HB3 ALA A 21 1.472 -1.927 -30.639 1.00 0.00 H ATOM 398 H ALA A 21 1.007 -2.522 -26.797 1.00 0.00 H ATOM 399 N GLU A 22 1.335 -4.964 -29.848 1.00 23.15 N ATOM 400 CA GLU A 22 2.185 -6.142 -29.984 1.00 14.45 C ATOM 401 C GLU A 22 3.655 -5.744 -30.081 1.00 13.22 C ATOM 402 O GLU A 22 4.053 -5.015 -30.988 1.00 40.22 O ATOM 403 CB GLU A 22 1.781 -6.949 -31.219 1.00 33.33 C ATOM 404 CG GLU A 22 2.593 -8.220 -31.408 1.00 14.35 C ATOM 405 CD GLU A 22 3.040 -8.418 -32.843 1.00 20.13 C ATOM 406 OE1 GLU A 22 2.211 -8.218 -33.755 1.00 51.20 O ATOM 407 OE2 GLU A 22 4.218 -8.774 -33.054 1.00 2.24 O ATOM 408 HA GLU A 22 2.052 -6.759 -29.096 1.00 0.00 H ATOM 409 HB2 GLU A 22 0.730 -7.222 -31.124 1.00 0.00 H ATOM 410 HB3 GLU A 22 1.914 -6.321 -32.100 1.00 0.00 H ATOM 411 HG2 GLU A 22 3.476 -8.169 -30.771 1.00 0.00 H ATOM 412 HG3 GLU A 22 1.982 -9.072 -31.112 1.00 0.00 H ATOM 413 H GLU A 22 0.515 -4.854 -30.478 1.00 0.00 H ATOM 414 N GLY A 23 4.457 -6.229 -29.137 1.00 53.45 N ATOM 415 CA GLY A 23 5.873 -5.913 -29.134 1.00 1.11 C ATOM 416 C GLY A 23 6.206 -4.750 -28.220 1.00 33.31 C ATOM 417 O GLY A 23 7.367 -4.362 -28.096 1.00 44.32 O ATOM 418 HA3 GLY A 23 6.177 -5.658 -30.149 1.00 0.00 H ATOM 419 HA2 GLY A 23 6.427 -6.790 -28.800 1.00 0.00 H ATOM 420 H GLY A 23 4.065 -6.841 -28.393 1.00 0.00 H ATOM 421 N ASP A 24 5.184 -4.193 -27.579 1.00 43.21 N ATOM 422 CA ASP A 24 5.374 -3.067 -26.672 1.00 13.21 C ATOM 423 C ASP A 24 5.697 -3.553 -25.263 1.00 3.14 C ATOM 424 O ASP A 24 5.224 -4.606 -24.835 1.00 65.52 O ATOM 425 CB ASP A 24 4.122 -2.188 -26.647 1.00 31.41 C ATOM 426 CG ASP A 24 3.873 -1.497 -27.973 1.00 4.31 C ATOM 427 OD1 ASP A 24 4.028 -2.154 -29.023 1.00 23.41 O ATOM 428 OD2 ASP A 24 3.525 -0.297 -27.961 1.00 31.32 O ATOM 429 HA ASP A 24 6.216 -2.477 -27.036 1.00 0.00 H ATOM 430 HB2 ASP A 24 3.260 -2.812 -26.410 1.00 0.00 H ATOM 431 HB3 ASP A 24 4.242 -1.429 -25.874 1.00 0.00 H ATOM 432 H ASP A 24 4.226 -4.569 -27.728 1.00 0.00 H ATOM 433 N ILE A 25 6.506 -2.779 -24.547 1.00 22.24 N ATOM 434 CA ILE A 25 6.893 -3.131 -23.186 1.00 74.40 C ATOM 435 C ILE A 25 6.078 -2.348 -22.163 1.00 15.32 C ATOM 436 O ILE A 25 5.795 -1.165 -22.353 1.00 11.43 O ATOM 437 CB ILE A 25 8.391 -2.871 -22.941 1.00 15.41 C ATOM 438 CG1 ILE A 25 9.239 -3.676 -23.927 1.00 52.02 C ATOM 439 CG2 ILE A 25 8.761 -3.219 -21.507 1.00 62.52 C ATOM 440 CD1 ILE A 25 9.604 -5.055 -23.424 1.00 62.03 C ATOM 441 HA ILE A 25 6.694 -4.196 -23.067 1.00 0.00 H ATOM 442 HB ILE A 25 8.592 -1.812 -23.100 1.00 0.00 H ATOM 443 HG12 ILE A 25 8.679 -3.784 -24.856 1.00 0.00 H ATOM 444 HG13 ILE A 25 10.159 -3.125 -24.121 1.00 0.00 H ATOM 445 HD11 ILE A 25 10.175 -4.964 -22.500 1.00 0.00 H ATOM 446 HD12 ILE A 25 8.694 -5.624 -23.235 1.00 0.00 H ATOM 447 HD13 ILE A 25 10.205 -5.567 -24.175 1.00 0.00 H ATOM 448 HG21 ILE A 25 8.176 -2.604 -20.823 1.00 0.00 H ATOM 449 HG22 ILE A 25 8.548 -4.272 -21.323 1.00 0.00 H ATOM 450 HG23 ILE A 25 9.823 -3.029 -21.351 1.00 0.00 H ATOM 451 H ILE A 25 6.872 -1.901 -24.968 1.00 0.00 H ATOM 452 N VAL A 26 5.704 -3.015 -21.076 1.00 34.13 N ATOM 453 CA VAL A 26 4.923 -2.381 -20.020 1.00 3.21 C ATOM 454 C VAL A 26 5.355 -2.876 -18.644 1.00 44.23 C ATOM 455 O VAL A 26 5.942 -3.951 -18.515 1.00 42.54 O ATOM 456 CB VAL A 26 3.417 -2.646 -20.199 1.00 13.11 C ATOM 457 CG1 VAL A 26 2.818 -1.670 -21.200 1.00 71.14 C ATOM 458 CG2 VAL A 26 3.177 -4.084 -20.634 1.00 43.34 C ATOM 459 HA VAL A 26 5.106 -1.309 -20.091 1.00 0.00 H ATOM 460 HB VAL A 26 2.923 -2.494 -19.240 1.00 0.00 H ATOM 461 HG11 VAL A 26 2.958 -0.651 -20.840 1.00 0.00 H ATOM 462 HG12 VAL A 26 3.315 -1.788 -22.163 1.00 0.00 H ATOM 463 HG13 VAL A 26 1.753 -1.874 -21.312 1.00 0.00 H ATOM 464 HG21 VAL A 26 3.684 -4.265 -21.582 1.00 0.00 H ATOM 465 HG22 VAL A 26 3.569 -4.762 -19.876 1.00 0.00 H ATOM 466 HG23 VAL A 26 2.107 -4.252 -20.755 1.00 0.00 H ATOM 467 H VAL A 26 5.975 -4.014 -20.976 1.00 0.00 H ATOM 468 N PHE A 27 5.061 -2.085 -17.618 1.00 30.14 N ATOM 469 CA PHE A 27 5.419 -2.443 -16.250 1.00 4.50 C ATOM 470 C PHE A 27 4.172 -2.614 -15.388 1.00 0.41 C ATOM 471 O PHE A 27 3.503 -1.638 -15.045 1.00 70.24 O ATOM 472 CB PHE A 27 6.330 -1.373 -15.643 1.00 30.31 C ATOM 473 CG PHE A 27 7.647 -1.234 -16.352 1.00 33.31 C ATOM 474 CD1 PHE A 27 8.540 -2.293 -16.396 1.00 51.43 C ATOM 475 CD2 PHE A 27 7.992 -0.045 -16.974 1.00 14.03 C ATOM 476 CE1 PHE A 27 9.752 -2.168 -17.048 1.00 63.13 C ATOM 477 CE2 PHE A 27 9.202 0.085 -17.627 1.00 42.25 C ATOM 478 CZ PHE A 27 10.084 -0.977 -17.664 1.00 22.22 C ATOM 479 HA PHE A 27 5.953 -3.393 -16.277 1.00 0.00 H ATOM 480 HB2 PHE A 27 5.812 -0.415 -15.685 1.00 0.00 H ATOM 481 HB3 PHE A 27 6.524 -1.634 -14.603 1.00 0.00 H ATOM 482 HD2 PHE A 27 7.301 0.797 -16.948 1.00 0.00 H ATOM 483 HE2 PHE A 27 9.461 1.026 -18.113 1.00 0.00 H ATOM 484 HZ PHE A 27 11.040 -0.876 -18.178 1.00 0.00 H ATOM 485 HE1 PHE A 27 10.445 -3.009 -17.076 1.00 0.00 H ATOM 486 HD1 PHE A 27 8.284 -3.235 -15.911 1.00 0.00 H ATOM 487 H PHE A 27 4.564 -1.189 -17.794 1.00 0.00 H ATOM 488 N ILE A 28 3.866 -3.859 -15.042 1.00 32.33 N ATOM 489 CA ILE A 28 2.700 -4.158 -14.220 1.00 32.53 C ATOM 490 C ILE A 28 2.924 -3.735 -12.772 1.00 45.11 C ATOM 491 O ILE A 28 3.618 -4.415 -12.016 1.00 33.21 O ATOM 492 CB ILE A 28 2.355 -5.659 -14.256 1.00 65.21 C ATOM 493 CG1 ILE A 28 2.438 -6.189 -15.689 1.00 53.01 C ATOM 494 CG2 ILE A 28 0.970 -5.899 -13.676 1.00 13.23 C ATOM 495 CD1 ILE A 28 1.526 -5.465 -16.654 1.00 52.54 C ATOM 496 HA ILE A 28 1.867 -3.592 -14.637 1.00 0.00 H ATOM 497 HB ILE A 28 3.080 -6.198 -13.646 1.00 0.00 H ATOM 498 HG12 ILE A 28 3.465 -6.082 -16.038 1.00 0.00 H ATOM 499 HG13 ILE A 28 2.166 -7.245 -15.683 1.00 0.00 H ATOM 500 HD11 ILE A 28 0.492 -5.572 -16.325 1.00 0.00 H ATOM 501 HD12 ILE A 28 1.792 -4.408 -16.680 1.00 0.00 H ATOM 502 HD13 ILE A 28 1.638 -5.894 -17.650 1.00 0.00 H ATOM 503 HG21 ILE A 28 0.945 -5.553 -12.643 1.00 0.00 H ATOM 504 HG22 ILE A 28 0.232 -5.351 -14.262 1.00 0.00 H ATOM 505 HG23 ILE A 28 0.743 -6.965 -13.710 1.00 0.00 H ATOM 506 H ILE A 28 4.473 -4.639 -15.365 1.00 0.00 H ATOM 507 N SER A 29 2.332 -2.607 -12.392 1.00 71.35 N ATOM 508 CA SER A 29 2.469 -2.091 -11.036 1.00 34.25 C ATOM 509 C SER A 29 1.829 -3.040 -10.026 1.00 60.14 C ATOM 510 O SER A 29 2.374 -3.276 -8.948 1.00 34.13 O ATOM 511 CB SER A 29 1.828 -0.706 -10.927 1.00 62.11 C ATOM 512 OG SER A 29 2.702 0.299 -11.410 1.00 43.23 O ATOM 513 HA SER A 29 3.532 -2.011 -10.811 1.00 0.00 H ATOM 514 HB2 SER A 29 1.594 -0.503 -9.882 1.00 0.00 H ATOM 515 HB3 SER A 29 0.909 -0.691 -11.513 1.00 0.00 H ATOM 516 HG SER A 29 2.914 0.121 -12.361 1.00 0.00 H ATOM 517 H SER A 29 1.757 -2.080 -13.080 1.00 0.00 H ATOM 518 N TYR A 30 0.670 -3.581 -10.385 1.00 62.21 N ATOM 519 CA TYR A 30 -0.046 -4.503 -9.511 1.00 52.42 C ATOM 520 C TYR A 30 -1.263 -5.091 -10.220 1.00 4.14 C ATOM 521 O TYR A 30 -1.870 -4.446 -11.075 1.00 34.53 O ATOM 522 CB TYR A 30 -0.483 -3.789 -8.231 1.00 54.40 C ATOM 523 CG TYR A 30 -1.621 -2.814 -8.439 1.00 65.14 C ATOM 524 CD1 TYR A 30 -1.372 -1.487 -8.768 1.00 75.05 C ATOM 525 CD2 TYR A 30 -2.943 -3.220 -8.306 1.00 44.34 C ATOM 526 CE1 TYR A 30 -2.408 -0.593 -8.959 1.00 51.22 C ATOM 527 CE2 TYR A 30 -3.985 -2.333 -8.497 1.00 5.13 C ATOM 528 CZ TYR A 30 -3.712 -1.021 -8.823 1.00 13.43 C ATOM 529 OH TYR A 30 -4.747 -0.134 -9.012 1.00 13.34 O ATOM 530 HA TYR A 30 0.630 -5.318 -9.252 1.00 0.00 H ATOM 531 HB3 TYR A 30 0.371 -3.242 -7.833 1.00 0.00 H ATOM 532 HB2 TYR A 30 -0.801 -4.541 -7.508 1.00 0.00 H ATOM 533 HD2 TYR A 30 -3.162 -4.256 -8.047 1.00 0.00 H ATOM 534 HE2 TYR A 30 -5.017 -2.668 -8.391 1.00 0.00 H ATOM 535 HE1 TYR A 30 -2.196 0.445 -9.216 1.00 0.00 H ATOM 536 HD1 TYR A 30 -0.343 -1.146 -8.877 1.00 0.00 H ATOM 537 HH TYR A 30 -4.379 0.757 -9.238 1.00 0.00 H ATOM 538 H TYR A 30 0.263 -3.341 -11.312 1.00 0.00 H ATOM 539 N LYS A 31 -1.613 -6.320 -9.857 1.00 32.03 N ATOM 540 CA LYS A 31 -2.758 -6.998 -10.454 1.00 42.51 C ATOM 541 C LYS A 31 -4.061 -6.536 -9.809 1.00 23.21 C ATOM 542 O LYS A 31 -4.107 -6.256 -8.611 1.00 24.14 O ATOM 543 CB LYS A 31 -2.613 -8.514 -10.307 1.00 44.13 C ATOM 544 CG LYS A 31 -3.908 -9.274 -10.535 1.00 41.22 C ATOM 545 CD LYS A 31 -3.665 -10.770 -10.643 1.00 51.12 C ATOM 546 CE LYS A 31 -4.905 -11.565 -10.262 1.00 43.43 C ATOM 547 NZ LYS A 31 -4.763 -12.208 -8.927 1.00 4.44 N ATOM 548 HA LYS A 31 -2.787 -6.743 -11.513 1.00 0.00 H ATOM 549 HB2 LYS A 31 -1.877 -8.862 -11.032 1.00 0.00 H ATOM 550 HB3 LYS A 31 -2.259 -8.730 -9.299 1.00 0.00 H ATOM 551 HG2 LYS A 31 -4.582 -9.084 -9.700 1.00 0.00 H ATOM 552 HG3 LYS A 31 -4.368 -8.922 -11.459 1.00 0.00 H ATOM 553 HD2 LYS A 31 -3.391 -11.011 -11.670 1.00 0.00 H ATOM 554 HD3 LYS A 31 -2.848 -11.046 -9.976 1.00 0.00 H ATOM 555 HE2 LYS A 31 -5.071 -12.339 -11.011 1.00 0.00 H ATOM 556 HE3 LYS A 31 -5.762 -10.892 -10.240 1.00 0.00 H ATOM 557 HZ1 LYS A 31 -3.951 -12.857 -8.941 1.00 0.00 H ATOM 558 HZ2 LYS A 31 -4.610 -11.475 -8.205 1.00 0.00 H ATOM 559 HZ3 LYS A 31 -5.629 -12.739 -8.706 1.00 0.00 H ATOM 560 H LYS A 31 -1.056 -6.811 -9.129 1.00 0.00 H ATOM 561 N HIS A 32 -5.118 -6.460 -10.610 1.00 74.54 N ATOM 562 CA HIS A 32 -6.423 -6.035 -10.116 1.00 72.03 C ATOM 563 C HIS A 32 -7.521 -6.980 -10.597 1.00 4.30 C ATOM 564 O HIS A 32 -7.370 -7.657 -11.613 1.00 44.31 O ATOM 565 CB HIS A 32 -6.725 -4.608 -10.575 1.00 74.22 C ATOM 566 CG HIS A 32 -7.725 -3.901 -9.713 1.00 1.30 C ATOM 567 ND1 HIS A 32 -7.505 -3.620 -8.381 1.00 21.31 N ATOM 568 CD2 HIS A 32 -8.955 -3.414 -10.000 1.00 70.41 C ATOM 569 CE1 HIS A 32 -8.557 -2.994 -7.886 1.00 12.34 C ATOM 570 NE2 HIS A 32 -9.451 -2.856 -8.848 1.00 13.10 N ATOM 571 HA HIS A 32 -6.398 -6.061 -9.027 1.00 0.00 H ATOM 572 HB2 HIS A 32 -5.796 -4.038 -10.564 1.00 0.00 H ATOM 573 HB3 HIS A 32 -7.114 -4.648 -11.593 1.00 0.00 H ATOM 574 HD2 HIS A 32 -9.458 -3.457 -10.966 1.00 0.00 H ATOM 575 HE1 HIS A 32 -8.669 -2.650 -6.858 1.00 0.00 H ATOM 576 H HIS A 32 -5.012 -6.710 -11.614 1.00 0.00 H ATOM 577 N GLY A 33 -8.625 -7.020 -9.858 1.00 75.53 N ATOM 578 CA GLY A 33 -9.731 -7.886 -10.225 1.00 13.14 C ATOM 579 C GLY A 33 -10.319 -7.535 -11.577 1.00 42.11 C ATOM 580 O GLY A 33 -9.792 -6.677 -12.285 1.00 54.11 O ATOM 581 HA3 GLY A 33 -10.512 -7.796 -9.470 1.00 0.00 H ATOM 582 HA2 GLY A 33 -9.374 -8.915 -10.255 1.00 0.00 H ATOM 583 H GLY A 33 -8.697 -6.425 -9.008 1.00 0.00 H ATOM 584 N GLN A 34 -11.411 -8.201 -11.937 1.00 13.21 N ATOM 585 CA GLN A 34 -12.069 -7.955 -13.215 1.00 63.50 C ATOM 586 C GLN A 34 -11.164 -8.350 -14.377 1.00 64.33 C ATOM 587 O GLN A 34 -11.426 -8.002 -15.528 1.00 2.54 O ATOM 588 CB GLN A 34 -12.461 -6.482 -13.336 1.00 41.13 C ATOM 589 CG GLN A 34 -13.269 -5.968 -12.156 1.00 33.42 C ATOM 590 CD GLN A 34 -14.721 -6.403 -12.209 1.00 43.43 C ATOM 591 OE1 GLN A 34 -15.284 -6.594 -13.287 1.00 53.54 O ATOM 592 NE2 GLN A 34 -15.335 -6.561 -11.043 1.00 22.53 N ATOM 593 HA GLN A 34 -12.970 -8.567 -13.255 1.00 0.00 H ATOM 594 HB2 GLN A 34 -11.550 -5.888 -13.415 1.00 0.00 H ATOM 595 HB3 GLN A 34 -13.055 -6.356 -14.241 1.00 0.00 H ATOM 596 HG2 GLN A 34 -12.824 -6.347 -11.236 1.00 0.00 H ATOM 597 HG3 GLN A 34 -13.231 -4.879 -12.154 1.00 0.00 H ATOM 598 HE22 GLN A 34 -14.820 -6.388 -10.156 1.00 0.00 H ATOM 599 HE21 GLN A 34 -16.331 -6.857 -11.016 1.00 0.00 H ATOM 600 H GLN A 34 -11.806 -8.915 -11.292 1.00 0.00 H ATOM 601 N GLY A 35 -10.096 -9.080 -14.068 1.00 71.44 N ATOM 602 CA GLY A 35 -9.168 -9.510 -15.098 1.00 71.20 C ATOM 603 C GLY A 35 -8.393 -8.354 -15.699 1.00 30.40 C ATOM 604 O GLY A 35 -8.010 -8.397 -16.868 1.00 42.30 O ATOM 605 HA3 GLY A 35 -9.729 -10.005 -15.891 1.00 0.00 H ATOM 606 HA2 GLY A 35 -8.461 -10.215 -14.660 1.00 0.00 H ATOM 607 H GLY A 35 -9.924 -9.346 -13.077 1.00 0.00 H ATOM 608 N TRP A 36 -8.163 -7.319 -14.899 1.00 71.43 N ATOM 609 CA TRP A 36 -7.430 -6.146 -15.360 1.00 40.32 C ATOM 610 C TRP A 36 -6.222 -5.875 -14.471 1.00 4.32 C ATOM 611 O TRP A 36 -6.307 -5.966 -13.245 1.00 54.53 O ATOM 612 CB TRP A 36 -8.347 -4.922 -15.382 1.00 73.02 C ATOM 613 CG TRP A 36 -9.397 -4.985 -16.450 1.00 62.53 C ATOM 614 CD1 TRP A 36 -10.711 -5.320 -16.289 1.00 70.22 C ATOM 615 CD2 TRP A 36 -9.219 -4.709 -17.844 1.00 12.32 C ATOM 616 NE1 TRP A 36 -11.361 -5.268 -17.499 1.00 31.23 N ATOM 617 CE2 TRP A 36 -10.468 -4.895 -18.468 1.00 12.30 C ATOM 618 CE3 TRP A 36 -8.127 -4.320 -18.625 1.00 14.25 C ATOM 619 CZ2 TRP A 36 -10.652 -4.706 -19.835 1.00 52.01 C ATOM 620 CZ3 TRP A 36 -8.312 -4.133 -19.981 1.00 64.33 C ATOM 621 CH2 TRP A 36 -9.566 -4.325 -20.575 1.00 70.54 C ATOM 622 HA TRP A 36 -7.076 -6.344 -16.372 1.00 0.00 H ATOM 623 HB2 TRP A 36 -8.842 -4.843 -14.414 1.00 0.00 H ATOM 624 HB3 TRP A 36 -7.736 -4.035 -15.549 1.00 0.00 H ATOM 625 HE1 TRP A 36 -12.368 -5.478 -17.654 1.00 0.00 H ATOM 626 HD1 TRP A 36 -11.176 -5.589 -15.341 1.00 0.00 H ATOM 627 HZ2 TRP A 36 -11.627 -4.856 -20.299 1.00 0.00 H ATOM 628 HH2 TRP A 36 -9.679 -4.168 -21.648 1.00 0.00 H ATOM 629 HZ3 TRP A 36 -7.467 -3.831 -20.600 1.00 0.00 H ATOM 630 HE3 TRP A 36 -7.147 -4.167 -18.172 1.00 0.00 H ATOM 631 H TRP A 36 -8.514 -7.346 -13.920 1.00 0.00 H ATOM 632 N LEU A 37 -5.097 -5.542 -15.094 1.00 3.42 N ATOM 633 CA LEU A 37 -3.870 -5.257 -14.358 1.00 2.33 C ATOM 634 C LEU A 37 -3.380 -3.840 -14.642 1.00 74.44 C ATOM 635 O LEU A 37 -3.322 -3.412 -15.795 1.00 60.42 O ATOM 636 CB LEU A 37 -2.783 -6.268 -14.728 1.00 34.04 C ATOM 637 CG LEU A 37 -3.267 -7.678 -15.067 1.00 63.34 C ATOM 638 CD1 LEU A 37 -2.085 -8.614 -15.269 1.00 3.31 C ATOM 639 CD2 LEU A 37 -4.186 -8.205 -13.975 1.00 3.12 C ATOM 640 HA LEU A 37 -4.088 -5.340 -13.293 1.00 0.00 H ATOM 641 HB2 LEU A 37 -2.248 -5.881 -15.595 1.00 0.00 H ATOM 642 HB3 LEU A 37 -2.097 -6.344 -13.884 1.00 0.00 H ATOM 643 HG LEU A 37 -3.832 -7.633 -15.998 1.00 0.00 H ATOM 644 HD21 LEU A 37 -3.645 -8.234 -13.029 1.00 0.00 H ATOM 645 HD22 LEU A 37 -5.050 -7.547 -13.880 1.00 0.00 H ATOM 646 HD23 LEU A 37 -4.519 -9.210 -14.236 1.00 0.00 H ATOM 647 HD11 LEU A 37 -1.467 -8.245 -16.088 1.00 0.00 H ATOM 648 HD12 LEU A 37 -1.493 -8.653 -14.354 1.00 0.00 H ATOM 649 HD13 LEU A 37 -2.451 -9.612 -15.509 1.00 0.00 H ATOM 650 H LEU A 37 -5.091 -5.483 -16.132 1.00 0.00 H ATOM 651 N VAL A 38 -3.027 -3.118 -13.584 1.00 15.21 N ATOM 652 CA VAL A 38 -2.539 -1.751 -13.720 1.00 15.41 C ATOM 653 C VAL A 38 -1.071 -1.729 -14.128 1.00 24.45 C ATOM 654 O VAL A 38 -0.191 -2.066 -13.335 1.00 51.42 O ATOM 655 CB VAL A 38 -2.708 -0.961 -12.408 1.00 73.31 C ATOM 656 CG1 VAL A 38 -2.177 0.455 -12.565 1.00 2.22 C ATOM 657 CG2 VAL A 38 -4.168 -0.948 -11.979 1.00 43.41 C ATOM 658 HA VAL A 38 -3.137 -1.278 -14.500 1.00 0.00 H ATOM 659 HB VAL A 38 -2.128 -1.456 -11.629 1.00 0.00 H ATOM 660 HG11 VAL A 38 -1.118 0.418 -12.822 1.00 0.00 H ATOM 661 HG12 VAL A 38 -2.727 0.962 -13.357 1.00 0.00 H ATOM 662 HG13 VAL A 38 -2.306 0.996 -11.628 1.00 0.00 H ATOM 663 HG21 VAL A 38 -4.770 -0.478 -12.757 1.00 0.00 H ATOM 664 HG22 VAL A 38 -4.509 -1.972 -11.823 1.00 0.00 H ATOM 665 HG23 VAL A 38 -4.268 -0.386 -11.051 1.00 0.00 H ATOM 666 H VAL A 38 -3.101 -3.538 -12.636 1.00 0.00 H ATOM 667 N ALA A 39 -0.812 -1.331 -15.369 1.00 35.40 N ATOM 668 CA ALA A 39 0.550 -1.264 -15.882 1.00 3.44 C ATOM 669 C ALA A 39 0.829 0.092 -16.521 1.00 44.33 C ATOM 670 O ALA A 39 -0.095 0.824 -16.873 1.00 41.22 O ATOM 671 CB ALA A 39 0.793 -2.382 -16.884 1.00 24.21 C ATOM 672 HA ALA A 39 1.234 -1.389 -15.043 1.00 0.00 H ATOM 673 HB1 ALA A 39 0.643 -3.345 -16.396 1.00 0.00 H ATOM 674 HB2 ALA A 39 0.094 -2.282 -17.715 1.00 0.00 H ATOM 675 HB3 ALA A 39 1.815 -2.318 -17.258 1.00 0.00 H ATOM 676 H ALA A 39 -1.601 -1.061 -15.990 1.00 0.00 H ATOM 677 N GLU A 40 2.109 0.420 -16.668 1.00 4.23 N ATOM 678 CA GLU A 40 2.509 1.690 -17.264 1.00 34.32 C ATOM 679 C GLU A 40 3.330 1.462 -18.530 1.00 34.12 C ATOM 680 O GLU A 40 3.894 0.388 -18.731 1.00 23.30 O ATOM 681 CB GLU A 40 3.316 2.518 -16.262 1.00 35.24 C ATOM 682 CG GLU A 40 4.694 1.948 -15.971 1.00 33.31 C ATOM 683 CD GLU A 40 4.872 1.568 -14.514 1.00 23.32 C ATOM 684 OE1 GLU A 40 3.912 1.036 -13.918 1.00 71.01 O ATOM 685 OE2 GLU A 40 5.971 1.802 -13.969 1.00 63.14 O ATOM 686 HA GLU A 40 1.605 2.237 -17.531 1.00 0.00 H ATOM 687 HB2 GLU A 40 3.437 3.524 -16.664 1.00 0.00 H ATOM 688 HB3 GLU A 40 2.758 2.567 -15.327 1.00 0.00 H ATOM 689 HG2 GLU A 40 4.841 1.059 -16.584 1.00 0.00 H ATOM 690 HG3 GLU A 40 5.443 2.696 -16.231 1.00 0.00 H ATOM 691 H GLU A 40 2.843 -0.245 -16.350 1.00 0.00 H ATOM 692 N ASN A 41 3.390 2.481 -19.380 1.00 51.53 N ATOM 693 CA ASN A 41 4.140 2.393 -20.628 1.00 24.13 C ATOM 694 C ASN A 41 5.643 2.408 -20.361 1.00 35.40 C ATOM 695 O ASN A 41 6.078 2.398 -19.210 1.00 41.42 O ATOM 696 CB ASN A 41 3.765 3.549 -21.556 1.00 53.34 C ATOM 697 CG ASN A 41 4.597 4.791 -21.300 1.00 30.22 C ATOM 698 OD1 ASN A 41 5.135 5.393 -22.229 1.00 5.45 O ATOM 699 ND2 ASN A 41 4.706 5.179 -20.035 1.00 20.35 N ATOM 700 HA ASN A 41 3.883 1.450 -21.111 1.00 0.00 H ATOM 701 HB2 ASN A 41 3.916 3.233 -22.588 1.00 0.00 H ATOM 702 HB3 ASN A 41 2.714 3.794 -21.403 1.00 0.00 H ATOM 703 HD22 ASN A 41 4.233 4.638 -19.283 1.00 0.00 H ATOM 704 HD21 ASN A 41 5.264 6.024 -19.796 1.00 0.00 H ATOM 705 H ASN A 41 2.890 3.363 -19.150 1.00 0.00 H ATOM 706 N GLU A 42 6.428 2.431 -21.433 1.00 43.20 N ATOM 707 CA GLU A 42 7.881 2.447 -21.314 1.00 5.00 C ATOM 708 C GLU A 42 8.367 3.783 -20.758 1.00 63.41 C ATOM 709 O GLU A 42 9.302 3.831 -19.959 1.00 10.24 O ATOM 710 CB GLU A 42 8.530 2.182 -22.674 1.00 52.24 C ATOM 711 CG GLU A 42 9.771 1.309 -22.598 1.00 11.14 C ATOM 712 CD GLU A 42 10.788 1.646 -23.671 1.00 23.45 C ATOM 713 OE1 GLU A 42 10.390 1.773 -24.847 1.00 44.02 O ATOM 714 OE2 GLU A 42 11.983 1.782 -23.333 1.00 31.24 O ATOM 715 HA GLU A 42 8.171 1.657 -20.621 1.00 0.00 H ATOM 716 HB2 GLU A 42 7.799 1.687 -23.314 1.00 0.00 H ATOM 717 HB3 GLU A 42 8.808 3.139 -23.115 1.00 0.00 H ATOM 718 HG2 GLU A 42 10.235 1.446 -21.621 1.00 0.00 H ATOM 719 HG3 GLU A 42 9.473 0.267 -22.714 1.00 0.00 H ATOM 720 H GLU A 42 5.996 2.438 -22.379 1.00 0.00 H ATOM 721 N SER A 43 7.726 4.864 -21.188 1.00 52.42 N ATOM 722 CA SER A 43 8.095 6.201 -20.738 1.00 14.33 C ATOM 723 C SER A 43 8.047 6.294 -19.216 1.00 25.14 C ATOM 724 O SER A 43 8.693 7.151 -18.614 1.00 44.03 O ATOM 725 CB SER A 43 7.161 7.245 -21.353 1.00 15.44 C ATOM 726 OG SER A 43 7.808 8.500 -21.476 1.00 23.33 O ATOM 727 HA SER A 43 9.116 6.399 -21.065 1.00 0.00 H ATOM 728 HB2 SER A 43 6.284 7.357 -20.716 1.00 0.00 H ATOM 729 HB3 SER A 43 6.850 6.906 -22.341 1.00 0.00 H ATOM 730 HG SER A 43 7.182 9.155 -21.876 1.00 0.00 H ATOM 731 H SER A 43 6.942 4.754 -21.862 1.00 0.00 H ATOM 732 N GLY A 44 7.277 5.404 -18.598 1.00 74.42 N ATOM 733 CA GLY A 44 7.158 5.401 -17.152 1.00 3.12 C ATOM 734 C GLY A 44 6.394 6.602 -16.631 1.00 22.04 C ATOM 735 O GLY A 44 6.347 6.840 -15.424 1.00 11.12 O ATOM 736 HA3 GLY A 44 8.158 5.407 -16.718 1.00 0.00 H ATOM 737 HA2 GLY A 44 6.636 4.494 -16.846 1.00 0.00 H ATOM 738 H GLY A 44 6.753 4.701 -19.158 1.00 0.00 H ATOM 739 N SER A 45 5.796 7.362 -17.542 1.00 74.12 N ATOM 740 CA SER A 45 5.035 8.548 -17.168 1.00 54.22 C ATOM 741 C SER A 45 3.539 8.319 -17.366 1.00 22.13 C ATOM 742 O SER A 45 2.709 9.023 -16.789 1.00 64.35 O ATOM 743 CB SER A 45 5.491 9.753 -17.993 1.00 14.53 C ATOM 744 OG SER A 45 5.161 10.969 -17.344 1.00 53.40 O ATOM 745 HA SER A 45 5.218 8.749 -16.112 1.00 0.00 H ATOM 746 HB2 SER A 45 5.002 9.724 -18.967 1.00 0.00 H ATOM 747 HB3 SER A 45 6.571 9.703 -18.129 1.00 0.00 H ATOM 748 HG SER A 45 4.180 11.021 -17.222 1.00 0.00 H ATOM 749 H SER A 45 5.873 7.105 -18.547 1.00 0.00 H ATOM 750 N LYS A 46 3.202 7.329 -18.185 1.00 62.31 N ATOM 751 CA LYS A 46 1.808 7.003 -18.460 1.00 14.42 C ATOM 752 C LYS A 46 1.424 5.671 -17.824 1.00 64.10 C ATOM 753 O LYS A 46 2.051 4.643 -18.084 1.00 44.32 O ATOM 754 CB LYS A 46 1.563 6.949 -19.969 1.00 50.45 C ATOM 755 CG LYS A 46 0.630 5.829 -20.395 1.00 14.13 C ATOM 756 CD LYS A 46 0.103 6.047 -21.803 1.00 71.53 C ATOM 757 CE LYS A 46 -0.859 7.223 -21.863 1.00 41.33 C ATOM 758 NZ LYS A 46 -1.788 7.122 -23.022 1.00 72.44 N ATOM 759 HA LYS A 46 1.186 7.785 -18.025 1.00 0.00 H ATOM 760 HB2 LYS A 46 1.128 7.898 -20.282 1.00 0.00 H ATOM 761 HB3 LYS A 46 2.521 6.808 -20.469 1.00 0.00 H ATOM 762 HG2 LYS A 46 1.173 4.884 -20.362 1.00 0.00 H ATOM 763 HG3 LYS A 46 -0.212 5.787 -19.704 1.00 0.00 H ATOM 764 HD2 LYS A 46 0.943 6.242 -22.470 1.00 0.00 H ATOM 765 HD3 LYS A 46 -0.417 5.147 -22.130 1.00 0.00 H ATOM 766 HE2 LYS A 46 -0.284 8.145 -21.951 1.00 0.00 H ATOM 767 HE3 LYS A 46 -1.444 7.248 -20.943 1.00 0.00 H ATOM 768 HZ1 LYS A 46 -1.238 7.105 -23.905 1.00 0.00 H ATOM 769 HZ2 LYS A 46 -2.346 6.248 -22.942 1.00 0.00 H ATOM 770 HZ3 LYS A 46 -2.426 7.943 -23.026 1.00 0.00 H ATOM 771 H LYS A 46 3.952 6.772 -18.642 1.00 0.00 H ATOM 772 N THR A 47 0.390 5.694 -16.990 1.00 14.13 N ATOM 773 CA THR A 47 -0.077 4.488 -16.317 1.00 54.43 C ATOM 774 C THR A 47 -1.569 4.274 -16.546 1.00 71.24 C ATOM 775 O THR A 47 -2.318 5.226 -16.761 1.00 5.44 O ATOM 776 CB THR A 47 0.194 4.549 -14.802 1.00 63.13 C ATOM 777 OG1 THR A 47 1.516 5.043 -14.561 1.00 43.41 O ATOM 778 CG2 THR A 47 0.038 3.175 -14.169 1.00 62.52 C ATOM 779 HA THR A 47 0.478 3.653 -16.744 1.00 0.00 H ATOM 780 HB THR A 47 -0.534 5.224 -14.352 1.00 0.00 H ATOM 781 HG1 THR A 47 1.681 5.079 -13.585 1.00 0.00 H ATOM 782 HG23 THR A 47 -0.970 2.803 -14.355 1.00 0.00 H ATOM 783 HG21 THR A 47 0.766 2.491 -14.605 1.00 0.00 H ATOM 784 HG22 THR A 47 0.206 3.250 -13.095 1.00 0.00 H ATOM 785 H THR A 47 -0.098 6.595 -16.813 1.00 0.00 H ATOM 786 N GLY A 48 -1.996 3.015 -16.499 1.00 4.21 N ATOM 787 CA GLY A 48 -3.397 2.699 -16.703 1.00 32.23 C ATOM 788 C GLY A 48 -3.687 1.219 -16.543 1.00 43.51 C ATOM 789 O GLY A 48 -2.898 0.486 -15.946 1.00 63.43 O ATOM 790 HA3 GLY A 48 -3.682 3.005 -17.710 1.00 0.00 H ATOM 791 HA2 GLY A 48 -3.990 3.253 -15.975 1.00 0.00 H ATOM 792 H GLY A 48 -1.318 2.249 -16.314 1.00 0.00 H ATOM 793 N LEU A 49 -4.821 0.780 -17.076 1.00 34.34 N ATOM 794 CA LEU A 49 -5.215 -0.622 -16.988 1.00 63.42 C ATOM 795 C LEU A 49 -4.916 -1.354 -18.293 1.00 22.22 C ATOM 796 O LEU A 49 -5.139 -0.822 -19.380 1.00 74.54 O ATOM 797 CB LEU A 49 -6.704 -0.735 -16.656 1.00 63.25 C ATOM 798 CG LEU A 49 -7.182 0.056 -15.439 1.00 2.15 C ATOM 799 CD1 LEU A 49 -8.621 0.509 -15.628 1.00 11.32 C ATOM 800 CD2 LEU A 49 -7.045 -0.778 -14.173 1.00 75.43 C ATOM 801 HA LEU A 49 -4.636 -1.087 -16.190 1.00 0.00 H ATOM 802 HB2 LEU A 49 -7.266 -0.386 -17.522 1.00 0.00 H ATOM 803 HB3 LEU A 49 -6.927 -1.787 -16.479 1.00 0.00 H ATOM 804 HG LEU A 49 -6.555 0.942 -15.336 1.00 0.00 H ATOM 805 HD21 LEU A 49 -7.648 -1.681 -14.268 1.00 0.00 H ATOM 806 HD22 LEU A 49 -5.999 -1.050 -14.030 1.00 0.00 H ATOM 807 HD23 LEU A 49 -7.390 -0.197 -13.318 1.00 0.00 H ATOM 808 HD11 LEU A 49 -8.688 1.144 -16.511 1.00 0.00 H ATOM 809 HD12 LEU A 49 -9.261 -0.364 -15.757 1.00 0.00 H ATOM 810 HD13 LEU A 49 -8.942 1.070 -14.751 1.00 0.00 H ATOM 811 H LEU A 49 -5.444 1.452 -17.568 1.00 0.00 H ATOM 812 N VAL A 50 -4.411 -2.578 -18.176 1.00 61.35 N ATOM 813 CA VAL A 50 -4.085 -3.385 -19.346 1.00 65.03 C ATOM 814 C VAL A 50 -4.530 -4.831 -19.158 1.00 43.13 C ATOM 815 O VAL A 50 -4.634 -5.334 -18.040 1.00 21.15 O ATOM 816 CB VAL A 50 -2.573 -3.359 -19.642 1.00 72.10 C ATOM 817 CG1 VAL A 50 -2.059 -1.928 -19.669 1.00 4.12 C ATOM 818 CG2 VAL A 50 -1.816 -4.188 -18.616 1.00 4.34 C ATOM 819 HA VAL A 50 -4.621 -2.950 -20.190 1.00 0.00 H ATOM 820 HB VAL A 50 -2.404 -3.798 -20.625 1.00 0.00 H ATOM 821 HG11 VAL A 50 -2.582 -1.370 -20.446 1.00 0.00 H ATOM 822 HG12 VAL A 50 -2.239 -1.460 -18.701 1.00 0.00 H ATOM 823 HG13 VAL A 50 -0.990 -1.931 -19.879 1.00 0.00 H ATOM 824 HG21 VAL A 50 -1.990 -3.779 -17.621 1.00 0.00 H ATOM 825 HG22 VAL A 50 -2.167 -5.219 -18.653 1.00 0.00 H ATOM 826 HG23 VAL A 50 -0.750 -4.158 -18.841 1.00 0.00 H ATOM 827 H VAL A 50 -4.244 -2.970 -17.227 1.00 0.00 H ATOM 828 N PRO A 51 -4.799 -5.517 -20.279 1.00 21.53 N ATOM 829 CA PRO A 51 -5.237 -6.916 -20.264 1.00 25.50 C ATOM 830 C PRO A 51 -4.125 -7.867 -19.832 1.00 12.13 C ATOM 831 O PRO A 51 -2.960 -7.669 -20.173 1.00 3.45 O ATOM 832 CB PRO A 51 -5.630 -7.180 -21.720 1.00 22.54 C ATOM 833 CG PRO A 51 -4.830 -6.204 -22.511 1.00 54.21 C ATOM 834 CD PRO A 51 -4.696 -4.981 -21.646 1.00 73.02 C ATOM 835 HA PRO A 51 -6.046 -7.082 -19.553 1.00 0.00 H ATOM 836 HD3 PRO A 51 -3.733 -4.495 -21.803 1.00 0.00 H ATOM 837 HD2 PRO A 51 -5.497 -4.270 -21.848 1.00 0.00 H ATOM 838 HG3 PRO A 51 -5.344 -5.957 -23.440 1.00 0.00 H ATOM 839 HG2 PRO A 51 -3.847 -6.616 -22.740 1.00 0.00 H ATOM 840 HB2 PRO A 51 -5.382 -8.202 -22.006 1.00 0.00 H ATOM 841 HB3 PRO A 51 -6.697 -7.012 -21.867 1.00 0.00 H ATOM 842 N GLU A 52 -4.495 -8.899 -19.080 1.00 63.30 N ATOM 843 CA GLU A 52 -3.527 -9.880 -18.602 1.00 14.15 C ATOM 844 C GLU A 52 -3.374 -11.025 -19.599 1.00 13.41 C ATOM 845 O GLU A 52 -2.324 -11.663 -19.670 1.00 55.50 O ATOM 846 CB GLU A 52 -3.956 -10.430 -17.239 1.00 52.45 C ATOM 847 CG GLU A 52 -2.943 -11.377 -16.619 1.00 1.52 C ATOM 848 CD GLU A 52 -3.033 -12.780 -17.185 1.00 35.43 C ATOM 849 OE1 GLU A 52 -4.128 -13.165 -17.646 1.00 30.40 O ATOM 850 OE2 GLU A 52 -2.009 -13.494 -17.166 1.00 64.11 O ATOM 851 HA GLU A 52 -2.564 -9.381 -18.498 1.00 0.00 H ATOM 852 HB2 GLU A 52 -4.104 -9.591 -16.560 1.00 0.00 H ATOM 853 HB3 GLU A 52 -4.897 -10.965 -17.364 1.00 0.00 H ATOM 854 HG2 GLU A 52 -1.942 -10.989 -16.806 1.00 0.00 H ATOM 855 HG3 GLU A 52 -3.119 -11.422 -15.544 1.00 0.00 H ATOM 856 H GLU A 52 -5.498 -9.009 -18.827 1.00 0.00 H ATOM 857 N GLU A 53 -4.430 -11.278 -20.366 1.00 63.25 N ATOM 858 CA GLU A 53 -4.413 -12.347 -21.359 1.00 2.34 C ATOM 859 C GLU A 53 -3.850 -11.848 -22.686 1.00 42.42 C ATOM 860 O GLU A 53 -3.953 -12.523 -23.710 1.00 53.04 O ATOM 861 CB GLU A 53 -5.823 -12.902 -21.567 1.00 14.22 C ATOM 862 CG GLU A 53 -6.001 -14.321 -21.054 1.00 23.12 C ATOM 863 CD GLU A 53 -5.474 -15.362 -22.023 1.00 54.30 C ATOM 864 OE1 GLU A 53 -4.252 -15.618 -22.013 1.00 74.22 O ATOM 865 OE2 GLU A 53 -6.286 -15.920 -22.791 1.00 44.13 O ATOM 866 HA GLU A 53 -3.768 -13.143 -20.987 1.00 0.00 H ATOM 867 HB2 GLU A 53 -6.528 -12.256 -21.045 1.00 0.00 H ATOM 868 HB3 GLU A 53 -6.044 -12.891 -22.634 1.00 0.00 H ATOM 869 HG2 GLU A 53 -5.466 -14.421 -20.109 1.00 0.00 H ATOM 870 HG3 GLU A 53 -7.063 -14.503 -20.890 1.00 0.00 H ATOM 871 H GLU A 53 -5.288 -10.701 -20.256 1.00 0.00 H ATOM 872 N PHE A 54 -3.254 -10.660 -22.660 1.00 50.04 N ATOM 873 CA PHE A 54 -2.676 -10.069 -23.861 1.00 43.53 C ATOM 874 C PHE A 54 -1.190 -9.782 -23.665 1.00 62.10 C ATOM 875 O PHE A 54 -0.483 -9.433 -24.611 1.00 11.13 O ATOM 876 CB PHE A 54 -3.412 -8.777 -24.225 1.00 22.41 C ATOM 877 CG PHE A 54 -4.360 -8.933 -25.379 1.00 54.11 C ATOM 878 CD1 PHE A 54 -5.167 -10.054 -25.483 1.00 73.54 C ATOM 879 CD2 PHE A 54 -4.446 -7.957 -26.359 1.00 64.43 C ATOM 880 CE1 PHE A 54 -6.040 -10.200 -26.545 1.00 33.31 C ATOM 881 CE2 PHE A 54 -5.317 -8.098 -27.423 1.00 12.51 C ATOM 882 CZ PHE A 54 -6.116 -9.220 -27.515 1.00 73.11 C ATOM 883 HA PHE A 54 -2.786 -10.784 -24.676 1.00 0.00 H ATOM 884 HB2 PHE A 54 -3.979 -8.445 -23.355 1.00 0.00 H ATOM 885 HB3 PHE A 54 -2.672 -8.020 -24.485 1.00 0.00 H ATOM 886 HD2 PHE A 54 -3.819 -7.068 -26.290 1.00 0.00 H ATOM 887 HE2 PHE A 54 -5.373 -7.324 -28.189 1.00 0.00 H ATOM 888 HZ PHE A 54 -6.806 -9.332 -28.352 1.00 0.00 H ATOM 889 HE1 PHE A 54 -6.668 -11.088 -26.617 1.00 0.00 H ATOM 890 HD1 PHE A 54 -5.113 -10.830 -24.719 1.00 0.00 H ATOM 891 H PHE A 54 -3.199 -10.140 -21.761 1.00 0.00 H ATOM 892 N VAL A 55 -0.723 -9.932 -22.430 1.00 5.24 N ATOM 893 CA VAL A 55 0.679 -9.690 -22.108 1.00 31.12 C ATOM 894 C VAL A 55 1.336 -10.942 -21.539 1.00 31.54 C ATOM 895 O VAL A 55 0.660 -11.923 -21.227 1.00 25.15 O ATOM 896 CB VAL A 55 0.832 -8.539 -21.096 1.00 51.55 C ATOM 897 CG1 VAL A 55 0.451 -7.212 -21.736 1.00 3.11 C ATOM 898 CG2 VAL A 55 -0.009 -8.803 -19.857 1.00 74.20 C ATOM 899 HA VAL A 55 1.174 -9.414 -23.039 1.00 0.00 H ATOM 900 HB VAL A 55 1.877 -8.482 -20.792 1.00 0.00 H ATOM 901 HG11 VAL A 55 1.101 -7.022 -22.590 1.00 0.00 H ATOM 902 HG12 VAL A 55 -0.586 -7.255 -22.070 1.00 0.00 H ATOM 903 HG13 VAL A 55 0.566 -6.411 -21.005 1.00 0.00 H ATOM 904 HG21 VAL A 55 -1.058 -8.887 -20.142 1.00 0.00 H ATOM 905 HG22 VAL A 55 0.317 -9.732 -19.389 1.00 0.00 H ATOM 906 HG23 VAL A 55 0.113 -7.979 -19.154 1.00 0.00 H ATOM 907 H VAL A 55 -1.373 -10.229 -21.675 1.00 0.00 H ATOM 908 N SER A 56 2.658 -10.902 -21.406 1.00 32.24 N ATOM 909 CA SER A 56 3.408 -12.035 -20.877 1.00 32.43 C ATOM 910 C SER A 56 4.501 -11.565 -19.922 1.00 64.35 C ATOM 911 O SER A 56 5.441 -10.880 -20.327 1.00 12.54 O ATOM 912 CB SER A 56 4.025 -12.844 -22.020 1.00 1.34 C ATOM 913 OG SER A 56 5.112 -13.628 -21.560 1.00 45.23 O ATOM 914 HA SER A 56 2.716 -12.671 -20.324 1.00 0.00 H ATOM 915 HB2 SER A 56 4.380 -12.159 -22.790 1.00 0.00 H ATOM 916 HB3 SER A 56 3.265 -13.501 -22.442 1.00 0.00 H ATOM 917 HG SER A 56 5.807 -13.035 -21.179 1.00 0.00 H ATOM 918 H SER A 56 3.170 -10.041 -21.686 1.00 0.00 H ATOM 919 N TYR A 57 4.372 -11.939 -18.654 1.00 60.15 N ATOM 920 CA TYR A 57 5.347 -11.554 -17.641 1.00 20.51 C ATOM 921 C TYR A 57 6.757 -11.957 -18.061 1.00 44.02 C ATOM 922 O TYR A 57 7.004 -13.107 -18.426 1.00 13.00 O ATOM 923 CB TYR A 57 4.999 -12.199 -16.298 1.00 65.31 C ATOM 924 CG TYR A 57 4.076 -11.360 -15.444 1.00 45.31 C ATOM 925 CD1 TYR A 57 2.978 -10.715 -16.000 1.00 64.14 C ATOM 926 CD2 TYR A 57 4.303 -11.210 -14.082 1.00 32.15 C ATOM 927 CE1 TYR A 57 2.133 -9.946 -15.224 1.00 74.33 C ATOM 928 CE2 TYR A 57 3.462 -10.445 -13.298 1.00 14.45 C ATOM 929 CZ TYR A 57 2.378 -9.815 -13.873 1.00 42.44 C ATOM 930 OH TYR A 57 1.539 -9.050 -13.096 1.00 53.01 O ATOM 931 HA TYR A 57 5.315 -10.470 -17.535 1.00 0.00 H ATOM 932 HB3 TYR A 57 5.924 -12.365 -15.745 1.00 0.00 H ATOM 933 HB2 TYR A 57 4.515 -13.157 -16.491 1.00 0.00 H ATOM 934 HD2 TYR A 57 5.160 -11.705 -13.624 1.00 0.00 H ATOM 935 HE2 TYR A 57 3.654 -10.340 -12.230 1.00 0.00 H ATOM 936 HE1 TYR A 57 1.277 -9.445 -15.677 1.00 0.00 H ATOM 937 HD1 TYR A 57 2.780 -10.818 -17.067 1.00 0.00 H ATOM 938 HH TYR A 57 0.819 -8.673 -13.662 1.00 0.00 H ATOM 939 H TYR A 57 3.556 -12.521 -18.377 1.00 0.00 H ATOM 940 N ILE A 58 7.679 -11.002 -18.006 1.00 42.44 N ATOM 941 CA ILE A 58 9.065 -11.256 -18.379 1.00 41.22 C ATOM 942 C ILE A 58 9.921 -11.545 -17.151 1.00 33.24 C ATOM 943 O ILE A 58 9.662 -11.025 -16.066 1.00 35.01 O ATOM 944 CB ILE A 58 9.670 -10.063 -19.143 1.00 64.20 C ATOM 945 CG1 ILE A 58 8.757 -9.654 -20.300 1.00 61.35 C ATOM 946 CG2 ILE A 58 11.060 -10.413 -19.655 1.00 53.54 C ATOM 947 CD1 ILE A 58 9.203 -8.392 -21.005 1.00 62.43 C ATOM 948 HA ILE A 58 9.061 -12.130 -19.030 1.00 0.00 H ATOM 949 HB ILE A 58 9.758 -9.219 -18.459 1.00 0.00 H ATOM 950 HG12 ILE A 58 8.736 -10.466 -21.027 1.00 0.00 H ATOM 951 HG13 ILE A 58 7.753 -9.493 -19.907 1.00 0.00 H ATOM 952 HD11 ILE A 58 9.219 -7.566 -20.294 1.00 0.00 H ATOM 953 HD12 ILE A 58 10.202 -8.540 -21.414 1.00 0.00 H ATOM 954 HD13 ILE A 58 8.508 -8.164 -21.813 1.00 0.00 H ATOM 955 HG21 ILE A 58 11.705 -10.660 -18.812 1.00 0.00 H ATOM 956 HG22 ILE A 58 10.994 -11.269 -20.326 1.00 0.00 H ATOM 957 HG23 ILE A 58 11.473 -9.560 -20.192 1.00 0.00 H ATOM 958 H ILE A 58 7.405 -10.050 -17.689 1.00 0.00 H ATOM 959 N GLN A 59 10.942 -12.377 -17.330 1.00 12.01 N ATOM 960 CA GLN A 59 11.836 -12.734 -16.235 1.00 65.45 C ATOM 961 C GLN A 59 13.295 -12.585 -16.654 1.00 64.22 C ATOM 962 O GLN A 59 13.626 -12.551 -17.840 1.00 20.03 O ATOM 963 CB GLN A 59 11.569 -14.169 -15.778 1.00 60.40 C ATOM 964 CG GLN A 59 10.700 -14.259 -14.534 1.00 74.43 C ATOM 965 CD GLN A 59 9.834 -15.504 -14.516 1.00 2.01 C ATOM 966 OE1 GLN A 59 9.472 -16.038 -15.565 1.00 12.42 O ATOM 967 NE2 GLN A 59 9.498 -15.974 -13.320 1.00 61.04 N ATOM 968 HA GLN A 59 11.643 -12.054 -15.405 1.00 0.00 H ATOM 969 HB2 GLN A 59 11.069 -14.701 -16.587 1.00 0.00 H ATOM 970 HB3 GLN A 59 12.525 -14.647 -15.566 1.00 0.00 H ATOM 971 HG2 GLN A 59 11.346 -14.270 -13.656 1.00 0.00 H ATOM 972 HG3 GLN A 59 10.053 -13.383 -14.496 1.00 0.00 H ATOM 973 HE22 GLN A 59 9.827 -15.490 -12.460 1.00 0.00 H ATOM 974 HE21 GLN A 59 8.906 -16.826 -13.243 1.00 0.00 H ATOM 975 H GLN A 59 11.107 -12.783 -18.273 1.00 0.00 H ATOM 976 N PRO A 60 14.191 -12.494 -15.660 1.00 14.35 N ATOM 977 CA PRO A 60 15.629 -12.347 -15.900 1.00 41.23 C ATOM 978 C PRO A 60 16.253 -13.613 -16.477 1.00 32.33 C ATOM 979 O PRO A 60 16.993 -13.560 -17.458 1.00 51.42 O ATOM 980 CB PRO A 60 16.194 -12.059 -14.507 1.00 43.32 C ATOM 981 CG PRO A 60 15.213 -12.668 -13.567 1.00 31.43 C ATOM 982 CD PRO A 60 13.867 -12.527 -14.223 1.00 65.23 C ATOM 983 HA PRO A 60 15.842 -11.567 -16.631 1.00 0.00 H ATOM 984 HD3 PRO A 60 13.226 -13.376 -13.986 1.00 0.00 H ATOM 985 HD2 PRO A 60 13.376 -11.605 -13.912 1.00 0.00 H ATOM 986 HG3 PRO A 60 15.226 -12.142 -12.612 1.00 0.00 H ATOM 987 HG2 PRO A 60 15.447 -13.720 -13.404 1.00 0.00 H ATOM 988 HB2 PRO A 60 17.176 -12.517 -14.388 1.00 0.00 H ATOM 989 HB3 PRO A 60 16.273 -10.985 -14.338 1.00 0.00 H ATOM 990 N GLU A 61 15.948 -14.751 -15.860 1.00 61.02 N ATOM 991 CA GLU A 61 16.480 -16.031 -16.313 1.00 41.23 C ATOM 992 C GLU A 61 15.586 -17.182 -15.862 1.00 60.21 C ATOM 993 O GLU A 61 16.041 -18.318 -15.721 1.00 30.12 O ATOM 994 CB GLU A 61 17.900 -16.235 -15.782 1.00 3.13 C ATOM 995 CG GLU A 61 18.746 -17.158 -16.643 1.00 33.32 C ATOM 996 CD GLU A 61 20.099 -17.455 -16.026 1.00 34.34 C ATOM 997 OE1 GLU A 61 20.433 -16.826 -15.000 1.00 33.34 O ATOM 998 OE2 GLU A 61 20.823 -18.316 -16.568 1.00 11.40 O ATOM 999 HA GLU A 61 16.506 -16.019 -17.403 1.00 0.00 H ATOM 1000 HB2 GLU A 61 18.392 -15.264 -15.732 1.00 0.00 H ATOM 1001 HB3 GLU A 61 17.836 -16.661 -14.781 1.00 0.00 H ATOM 1002 HG2 GLU A 61 18.210 -18.097 -16.779 1.00 0.00 H ATOM 1003 HG3 GLU A 61 18.901 -16.686 -17.613 1.00 0.00 H ATOM 1004 H GLU A 61 15.315 -14.728 -15.035 1.00 0.00 H ATOM 1005 N LEU A 62 14.312 -16.881 -15.637 1.00 0.31 N ATOM 1006 CA LEU A 62 13.353 -17.889 -15.201 1.00 34.40 C ATOM 1007 C LEU A 62 12.253 -18.081 -16.241 1.00 1.41 C ATOM 1008 O LEU A 62 12.170 -17.332 -17.214 1.00 13.02 O ATOM 1009 CB LEU A 62 12.737 -17.490 -13.859 1.00 0.21 C ATOM 1010 CG LEU A 62 13.681 -16.817 -12.861 1.00 73.23 C ATOM 1011 CD1 LEU A 62 12.922 -16.386 -11.616 1.00 31.21 C ATOM 1012 CD2 LEU A 62 14.824 -17.752 -12.495 1.00 32.44 C ATOM 1013 HA LEU A 62 13.885 -18.833 -15.083 1.00 0.00 H ATOM 1014 HB2 LEU A 62 11.917 -16.800 -14.060 1.00 0.00 H ATOM 1015 HB3 LEU A 62 12.344 -18.393 -13.391 1.00 0.00 H ATOM 1016 HG LEU A 62 14.102 -15.928 -13.330 1.00 0.00 H ATOM 1017 HD21 LEU A 62 14.420 -18.659 -12.045 1.00 0.00 H ATOM 1018 HD22 LEU A 62 15.383 -18.009 -13.394 1.00 0.00 H ATOM 1019 HD23 LEU A 62 15.485 -17.255 -11.784 1.00 0.00 H ATOM 1020 HD11 LEU A 62 12.140 -15.680 -11.895 1.00 0.00 H ATOM 1021 HD12 LEU A 62 12.473 -17.260 -11.145 1.00 0.00 H ATOM 1022 HD13 LEU A 62 13.611 -15.910 -10.919 1.00 0.00 H ATOM 1023 H LEU A 62 13.990 -15.902 -15.775 1.00 0.00 H ATOM 1024 N GLU A 63 11.411 -19.087 -16.026 1.00 40.42 N ATOM 1025 CA GLU A 63 10.316 -19.374 -16.945 1.00 32.31 C ATOM 1026 C GLU A 63 9.113 -19.941 -16.197 1.00 14.14 C ATOM 1027 O GLU A 63 9.245 -20.966 -15.531 1.00 22.45 O ATOM 1028 CB GLU A 63 10.771 -20.361 -18.023 1.00 15.43 C ATOM 1029 CG GLU A 63 9.775 -20.521 -19.160 1.00 23.55 C ATOM 1030 CD GLU A 63 10.370 -21.234 -20.359 1.00 13.01 C ATOM 1031 OE1 GLU A 63 11.127 -22.206 -20.157 1.00 34.30 O ATOM 1032 OE2 GLU A 63 10.077 -20.819 -21.500 1.00 1.32 O ATOM 1033 HA GLU A 63 10.020 -18.439 -17.420 1.00 0.00 H ATOM 1034 HB2 GLU A 63 11.715 -20.008 -18.438 1.00 0.00 H ATOM 1035 HB3 GLU A 63 10.922 -21.335 -17.557 1.00 0.00 H ATOM 1036 HG2 GLU A 63 8.922 -21.096 -18.799 1.00 0.00 H ATOM 1037 HG3 GLU A 63 9.439 -19.532 -19.472 1.00 0.00 H ATOM 1038 H GLU A 63 11.536 -19.683 -15.183 1.00 0.00 H TER 1039 GLU A 63 HETATM 1040 N GLY A 1 -9.092 3.775 -5.444 1.00 0.24 N HETATM 1041 CA GLY A 1 -8.001 3.915 -6.392 1.00 0.05 C HETATM 1042 C GLY A 1 -8.368 4.791 -7.573 1.00 0.22 C HETATM 1043 O GLY A 1 -9.525 5.181 -7.731 1.00 -0.39 O HETATM 1044 N GLY A 1 -7.381 5.104 -8.405 1.00 -0.26 N HETATM 1045 CA GLY A 1 -7.604 5.940 -9.578 1.00 0.13 C HETATM 1046 C GLY A 1 -8.334 5.163 -10.669 1.00 0.20 C HETATM 1047 O GLY A 1 -9.453 5.510 -11.049 1.00 -0.39 O HETATM 1048 N GLY A 1 -7.695 4.110 -11.168 1.00 -0.26 N HETATM 1049 CA GLY A 1 -8.284 3.284 -12.215 1.00 0.14 C HETATM 1050 C GLY A 1 -9.373 2.379 -11.646 1.00 0.21 C HETATM 1051 O GLY A 1 -9.252 1.871 -10.530 1.00 -0.39 O HETATM 1052 N GLY A 1 -10.435 2.183 -12.419 1.00 -0.26 N HETATM 1053 CA GLY A 1 -11.545 1.339 -11.992 1.00 0.13 C HETATM 1054 C GLY A 1 -12.275 0.743 -13.191 1.00 0.21 C HETATM 1055 O GLY A 1 -13.289 1.265 -13.655 1.00 -0.39 O HETATM 1056 N GLY A 1 -11.749 -0.379 -13.706 1.00 -0.25 N HETATM 1057 CA GLY A 1 -12.336 -1.073 -14.856 1.00 0.13 C HETATM 1058 C GLY A 1 -13.667 -1.735 -14.516 1.00 0.20 C HETATM 1059 O GLY A 1 -13.798 -2.393 -13.484 1.00 -0.39 O HETATM 1060 N GLY A 1 -14.651 -1.557 -15.391 1.00 -0.26 N HETATM 1061 CA GLY A 1 -15.974 -2.135 -15.182 1.00 0.15 C HETATM 1062 C GLY A 1 -16.458 -2.853 -16.438 1.00 0.21 C HETATM 1063 O GLY A 1 -17.437 -2.444 -17.062 1.00 -0.39 O HETATM 1064 N GLY A 1 -15.764 -3.927 -16.802 1.00 -0.26 N HETATM 1065 CA GLY A 1 -16.122 -4.702 -17.984 1.00 0.13 C HETATM 1066 C GLY A 1 -15.187 -5.896 -18.154 1.00 0.21 C HETATM 1067 O GLY A 1 -14.047 -5.895 -17.688 1.00 -0.39 O HETATM 1068 N GLY A 1 -15.678 -6.940 -18.838 1.00 -0.25 N HETATM 1069 CA GLY A 1 -14.904 -8.160 -19.085 1.00 0.13 C HETATM 1070 C GLY A 1 -13.760 -7.931 -20.067 1.00 0.20 C HETATM 1071 O GLY A 1 -13.959 -7.381 -21.150 1.00 -0.39 O HETATM 1072 N GLY A 1 -12.561 -8.356 -19.681 1.00 -0.26 N HETATM 1073 CA GLY A 1 -11.386 -8.200 -20.529 1.00 0.13 C HETATM 1074 C GLY A 1 -11.531 -8.995 -21.822 1.00 0.21 C HETATM 1075 O GLY A 1 -12.255 -9.989 -21.889 1.00 -0.39 O HETATM 1076 N GLY A 1 -10.828 -8.550 -22.874 1.00 -0.25 N HETATM 1077 CA GLY A 1 -10.863 -9.207 -24.184 1.00 0.13 C HETATM 1078 C GLY A 1 -10.169 -10.565 -24.170 1.00 0.20 C HETATM 1079 O GLY A 1 -9.606 -10.976 -23.156 1.00 -0.39 O HETATM 1080 N GLY A 1 -10.214 -11.258 -25.303 1.00 -0.26 N HETATM 1081 CA GLY A 1 -9.589 -12.570 -25.423 1.00 0.13 C HETATM 1082 C GLY A 1 -8.612 -12.602 -26.595 1.00 0.21 C HETATM 1083 O GLY A 1 -8.810 -11.945 -27.617 1.00 -0.39 O HETATM 1084 N GLY A 1 -7.533 -13.384 -26.445 1.00 -0.25 N HETATM 1085 CA GLY A 1 -6.506 -13.522 -27.482 1.00 0.13 C HETATM 1086 C GLY A 1 -7.012 -14.285 -28.702 1.00 0.21 C HETATM 1087 O GLY A 1 -8.032 -14.972 -28.655 1.00 -0.39 O HETATM 1088 N GLY A 1 -6.283 -14.164 -29.821 1.00 -0.25 N HETATM 1089 CA GLY A 1 -6.638 -14.836 -31.074 1.00 0.13 C HETATM 1090 C GLY A 1 -6.446 -16.347 -30.996 1.00 0.20 C HETATM 1091 O GLY A 1 -6.213 -16.898 -29.920 1.00 -0.39 O HETATM 1092 N GLY A 1 -6.546 -17.011 -32.143 1.00 -0.26 N HETATM 1093 CA GLY A 1 -6.387 -18.460 -32.203 1.00 0.15 C HETATM 1094 C GLY A 1 -5.130 -18.836 -32.982 1.00 0.21 C HETATM 1095 O GLY A 1 -4.511 -19.868 -32.723 1.00 -0.39 O HETATM 1096 N GLY A 1 -4.759 -17.991 -33.939 1.00 -0.26 N HETATM 1097 CA GLY A 1 -3.579 -18.235 -34.760 1.00 0.15 C HETATM 1098 C GLY A 1 -2.335 -18.391 -33.890 1.00 0.21 C HETATM 1099 O GLY A 1 -1.754 -19.473 -33.808 1.00 -0.39 O HETATM 1100 N GLY A 1 -1.934 -17.303 -33.242 1.00 -0.27 N HETATM 1101 CA GLY A 1 -0.761 -17.318 -32.376 1.00 0.09 C HETATM 1102 C GLY A 1 -0.960 -18.266 -31.199 1.00 0.06 C HETATM 1103 O GLY A 1 -2.063 -18.318 -30.591 1.00 -0.57 O HETATM 1104 O GLY A 1 -0.010 -19.007 -30.829 1.00 -0.57 O HETATM 1105 CB GLY A 1 -0.454 -15.913 -31.878 1.00 -0.03 C HETATM 1106 H122 GLY A 1 0.432 -15.940 -31.227 1.00 0.03 H HETATM 1107 H123 GLY A 1 -1.314 -15.529 -31.310 1.00 0.03 H HETATM 1108 H124 GLY A 1 -0.258 -15.254 -32.737 1.00 0.03 H HETATM 1109 H121 GLY A 1 0.098 -17.674 -32.964 1.00 0.07 H HETATM 1110 H120 GLY A 1 -2.449 -16.453 -33.351 1.00 0.19 H HETATM 1111 CB GLY A 1 -3.378 -17.092 -35.755 1.00 0.08 C HETATM 1112 OG GLY A 1 -2.600 -17.510 -36.863 1.00 -0.39 O HETATM 1113 H119 GLY A 1 -2.491 -16.782 -37.464 1.00 0.21 H HETATM 1114 H117 GLY A 1 -2.865 -16.261 -35.249 1.00 0.06 H HETATM 1115 H118 GLY A 1 -4.360 -16.752 -36.114 1.00 0.06 H HETATM 1116 H116 GLY A 1 -3.732 -19.168 -35.322 1.00 0.08 H HETATM 1117 H115 GLY A 1 -5.303 -17.167 -34.100 1.00 0.19 H HETATM 1118 CB GLY A 1 -7.614 -19.102 -32.852 1.00 0.08 C HETATM 1119 OG GLY A 1 -7.961 -18.439 -34.056 1.00 -0.39 O HETATM 1120 H114 GLY A 1 -8.724 -18.857 -34.438 1.00 0.21 H HETATM 1121 H112 GLY A 1 -8.461 -19.044 -32.153 1.00 0.06 H HETATM 1122 H113 GLY A 1 -7.393 -20.156 -33.074 1.00 0.06 H HETATM 1123 H111 GLY A 1 -6.291 -18.843 -31.176 1.00 0.08 H HETATM 1124 H110 GLY A 1 -6.735 -16.505 -32.985 1.00 0.19 H HETATM 1125 CB GLY A 1 -5.670 -14.226 -32.091 1.00 -0.01 C HETATM 1126 CG GLY A 1 -4.500 -13.783 -31.282 1.00 -0.03 C HETATM 1127 CD GLY A 1 -5.054 -13.361 -29.949 1.00 0.04 C HETATM 1128 H108 GLY A 1 -4.347 -13.591 -29.138 1.00 0.05 H HETATM 1129 H109 GLY A 1 -5.284 -12.285 -29.941 1.00 0.05 H HETATM 1130 H106 GLY A 1 -3.995 -12.937 -31.771 1.00 0.03 H HETATM 1131 H107 GLY A 1 -3.788 -14.611 -31.155 1.00 0.03 H HETATM 1132 H104 GLY A 1 -6.134 -13.370 -32.603 1.00 0.03 H HETATM 1133 H105 GLY A 1 -5.365 -14.977 -32.835 1.00 0.03 H HETATM 1134 H103 GLY A 1 -7.681 -14.618 -31.346 1.00 0.08 H HETATM 1135 CB GLY A 1 -5.397 -14.311 -26.780 1.00 -0.01 C HETATM 1136 CG GLY A 1 -6.095 -15.068 -25.704 1.00 -0.03 C HETATM 1137 CD GLY A 1 -7.233 -14.195 -25.253 1.00 0.04 C HETATM 1138 H101 GLY A 1 -8.103 -14.802 -24.960 1.00 0.05 H HETATM 1139 H102 GLY A 1 -6.930 -13.558 -24.409 1.00 0.05 H HETATM 1140 H99 GLY A 1 -5.408 -15.263 -24.867 1.00 0.03 H HETATM 1141 H100 GLY A 1 -6.477 -16.023 -26.095 1.00 0.03 H HETATM 1142 H97 GLY A 1 -4.648 -13.629 -26.351 1.00 0.03 H HETATM 1143 H98 GLY A 1 -4.906 -15.000 -27.483 1.00 0.03 H HETATM 1144 H96 GLY A 1 -6.144 -12.533 -27.800 1.00 0.08 H HETATM 1145 CB GLY A 1 -10.656 -13.651 -25.605 1.00 -0.01 C HETATM 1146 CG GLY A 1 -10.638 -14.712 -24.518 1.00 -0.04 C HETATM 1147 CD GLY A 1 -12.011 -15.335 -24.325 1.00 -0.01 C HETATM 1148 CE GLY A 1 -12.607 -14.962 -22.977 1.00 -0.04 C HETATM 1149 NZ GLY A 1 -13.462 -13.746 -23.066 1.00 0.22 N HETATM 1150 H93 GLY A 1 -13.837 -13.532 -22.155 1.00 0.20 H HETATM 1151 H94 GLY A 1 -14.219 -13.914 -23.710 1.00 0.20 H HETATM 1152 H95 GLY A 1 -12.909 -12.969 -23.392 1.00 0.20 H HETATM 1153 H91 GLY A 1 -11.789 -14.770 -22.267 1.00 0.08 H HETATM 1154 H92 GLY A 1 -13.219 -15.801 -22.614 1.00 0.08 H HETATM 1155 H89 GLY A 1 -11.919 -16.430 -24.384 1.00 0.03 H HETATM 1156 H90 GLY A 1 -12.680 -14.980 -25.122 1.00 0.03 H HETATM 1157 H87 GLY A 1 -10.319 -14.249 -23.572 1.00 0.03 H HETATM 1158 H88 GLY A 1 -9.924 -15.500 -24.800 1.00 0.03 H HETATM 1159 H85 GLY A 1 -10.490 -14.143 -26.575 1.00 0.03 H HETATM 1160 H86 GLY A 1 -11.644 -13.168 -25.603 1.00 0.03 H HETATM 1161 H84 GLY A 1 -9.032 -12.777 -24.497 1.00 0.08 H HETATM 1162 H83 GLY A 1 -10.688 -10.870 -26.093 1.00 0.19 H HETATM 1163 CB GLY A 1 -10.108 -8.230 -25.090 1.00 -0.01 C HETATM 1164 CG GLY A 1 -9.207 -7.480 -24.171 1.00 -0.03 C HETATM 1165 CD GLY A 1 -9.944 -7.373 -22.865 1.00 0.04 C HETATM 1166 H81 GLY A 1 -9.246 -7.411 -22.015 1.00 0.05 H HETATM 1167 H82 GLY A 1 -10.528 -6.442 -22.818 1.00 0.05 H HETATM 1168 H79 GLY A 1 -8.997 -6.479 -24.575 1.00 0.03 H HETATM 1169 H80 GLY A 1 -8.262 -8.025 -24.033 1.00 0.03 H HETATM 1170 H77 GLY A 1 -10.808 -7.545 -25.591 1.00 0.03 H HETATM 1171 H78 GLY A 1 -9.524 -8.775 -25.846 1.00 0.03 H HETATM 1172 H76 GLY A 1 -11.901 -9.336 -24.524 1.00 0.08 H HETATM 1173 CB GLY A 1 -10.133 -8.630 -19.780 1.00 -0.02 C HETATM 1174 H73 GLY A 1 -9.256 -8.507 -20.432 1.00 0.03 H HETATM 1175 H74 GLY A 1 -10.226 -9.686 -19.486 1.00 0.03 H HETATM 1176 H75 GLY A 1 -10.012 -8.008 -18.881 1.00 0.03 H HETATM 1177 H72 GLY A 1 -11.287 -7.136 -20.788 1.00 0.08 H HETATM 1178 H71 GLY A 1 -12.463 -8.793 -18.787 1.00 0.19 H HETATM 1179 CB GLY A 1 -15.936 -9.121 -19.681 1.00 -0.01 C HETATM 1180 CG GLY A 1 -16.969 -8.237 -20.290 1.00 -0.03 C HETATM 1181 CD GLY A 1 -17.028 -7.011 -19.422 1.00 0.04 C HETATM 1182 H69 GLY A 1 -17.245 -6.115 -20.021 1.00 0.05 H HETATM 1183 H70 GLY A 1 -17.791 -7.121 -18.637 1.00 0.05 H HETATM 1184 H67 GLY A 1 -17.945 -8.743 -20.304 1.00 0.03 H HETATM 1185 H68 GLY A 1 -16.683 -7.965 -21.317 1.00 0.03 H HETATM 1186 H65 GLY A 1 -16.379 -9.751 -18.895 1.00 0.03 H HETATM 1187 H66 GLY A 1 -15.473 -9.761 -20.447 1.00 0.03 H HETATM 1188 H64 GLY A 1 -14.497 -8.556 -18.143 1.00 0.08 H HETATM 1189 CB GLY A 1 -16.072 -3.820 -19.233 1.00 -0.01 C HETATM 1190 CG GLY A 1 -14.763 -3.066 -19.394 1.00 -0.02 C HETATM 1191 CD GLY A 1 -14.885 -1.952 -20.423 1.00 0.06 C HETATM 1192 NE GLY A 1 -15.337 -2.451 -21.719 1.00 -0.27 N HETATM 1193 CZ GLY A 1 -14.577 -3.174 -22.534 1.00 0.29 C HETATM 1194 NH1 GLY A 1 -13.333 -3.480 -22.189 1.00 -0.28 N HETATM 1195 H60 GLY A 1 -12.746 -4.041 -22.823 1.00 0.26 H HETATM 1196 H61 GLY A 1 -12.954 -3.157 -21.287 1.00 0.26 H HETATM 1197 NH2 GLY A 1 -15.060 -3.592 -23.697 1.00 -0.28 N HETATM 1198 H62 GLY A 1 -16.025 -3.356 -23.968 1.00 0.26 H HETATM 1199 H63 GLY A 1 -14.470 -4.152 -24.328 1.00 0.26 H HETATM 1200 H59 GLY A 1 -16.298 -2.230 -22.017 1.00 0.26 H HETATM 1201 H57 GLY A 1 -13.901 -1.476 -20.549 1.00 0.07 H HETATM 1202 H58 GLY A 1 -15.608 -1.208 -20.057 1.00 0.07 H HETATM 1203 H55 GLY A 1 -13.983 -3.770 -19.720 1.00 0.03 H HETATM 1204 H56 GLY A 1 -14.481 -2.628 -18.425 1.00 0.03 H HETATM 1205 H53 GLY A 1 -16.890 -3.087 -19.174 1.00 0.03 H HETATM 1206 H54 GLY A 1 -16.215 -4.460 -20.116 1.00 0.03 H HETATM 1207 H52 GLY A 1 -17.149 -5.076 -17.858 1.00 0.08 H HETATM 1208 H51 GLY A 1 -14.978 -4.210 -16.252 1.00 0.19 H HETATM 1209 CB GLY A 1 -16.973 -1.046 -14.786 1.00 0.08 C HETATM 1210 OG GLY A 1 -18.299 -1.547 -14.785 1.00 -0.39 O HETATM 1211 H50 GLY A 1 -18.519 -1.860 -15.655 1.00 0.21 H HETATM 1212 H48 GLY A 1 -16.903 -0.216 -15.504 1.00 0.06 H HETATM 1213 H49 GLY A 1 -16.726 -0.681 -13.778 1.00 0.06 H HETATM 1214 H47 GLY A 1 -15.909 -2.867 -14.364 1.00 0.08 H HETATM 1215 H46 GLY A 1 -14.480 -1.014 -16.213 1.00 0.19 H HETATM 1216 CB GLY A 1 -11.286 -2.131 -15.205 1.00 -0.01 C HETATM 1217 CG GLY A 1 -10.553 -2.373 -13.931 1.00 -0.03 C HETATM 1218 CD GLY A 1 -10.542 -1.057 -13.203 1.00 0.04 C HETATM 1219 H44 GLY A 1 -10.600 -1.208 -12.115 1.00 0.05 H HETATM 1220 H45 GLY A 1 -9.637 -0.481 -13.445 1.00 0.05 H HETATM 1221 H42 GLY A 1 -9.525 -2.704 -14.139 1.00 0.03 H HETATM 1222 H43 GLY A 1 -11.070 -3.137 -13.332 1.00 0.03 H HETATM 1223 H40 GLY A 1 -10.602 -1.757 -15.981 1.00 0.03 H HETATM 1224 H41 GLY A 1 -11.768 -3.055 -15.556 1.00 0.03 H HETATM 1225 H39 GLY A 1 -12.484 -0.375 -15.693 1.00 0.08 H HETATM 1226 CB GLY A 1 -12.551 2.126 -11.132 1.00 -0.00 C HETATM 1227 CG1 GLY A 1 -12.895 3.458 -11.801 1.00 -0.05 C HETATM 1228 CD1 GLY A 1 -14.325 3.898 -11.573 1.00 -0.06 C HETATM 1229 H36 GLY A 1 -14.498 4.858 -12.081 1.00 0.02 H HETATM 1230 H37 GLY A 1 -14.505 4.016 -10.494 1.00 0.02 H HETATM 1231 H38 GLY A 1 -15.011 3.140 -11.978 1.00 0.02 H HETATM 1232 H31 GLY A 1 -12.731 3.356 -12.884 1.00 0.03 H HETATM 1233 H32 GLY A 1 -12.225 4.232 -11.400 1.00 0.03 H HETATM 1234 CG2 GLY A 1 -11.990 2.356 -9.737 1.00 -0.06 C HETATM 1235 H33 GLY A 1 -11.750 1.387 -9.274 1.00 0.02 H HETATM 1236 H34 GLY A 1 -12.737 2.880 -9.123 1.00 0.02 H HETATM 1237 H35 GLY A 1 -11.078 2.966 -9.805 1.00 0.02 H HETATM 1238 H30 GLY A 1 -13.473 1.533 -11.043 1.00 0.03 H HETATM 1239 H29 GLY A 1 -11.136 0.517 -11.386 1.00 0.08 H HETATM 1240 H28 GLY A 1 -10.475 2.625 -13.315 1.00 0.19 H HETATM 1241 CB GLY A 1 -7.205 2.438 -12.894 1.00 0.02 C HETATM 1242 CG GLY A 1 -5.956 3.206 -13.217 1.00 -0.04 C HETATM 1243 CD1 GLY A 1 -6.013 4.358 -13.984 1.00 -0.06 C HETATM 1244 CE1 GLY A 1 -4.865 5.067 -14.282 1.00 -0.07 C HETATM 1245 CZ GLY A 1 -3.643 4.627 -13.814 1.00 -0.07 C HETATM 1246 CE2 GLY A 1 -3.572 3.481 -13.048 1.00 -0.07 C HETATM 1247 CD2 GLY A 1 -4.723 2.775 -12.753 1.00 -0.06 C HETATM 1248 H24 GLY A 1 -4.661 1.875 -12.152 1.00 0.06 H HETATM 1249 H26 GLY A 1 -2.614 3.135 -12.678 1.00 0.06 H HETATM 1250 H27 GLY A 1 -2.741 5.181 -14.048 1.00 0.06 H HETATM 1251 H25 GLY A 1 -4.924 5.968 -14.883 1.00 0.06 H HETATM 1252 H23 GLY A 1 -6.970 4.708 -14.355 1.00 0.06 H HETATM 1253 H21 GLY A 1 -7.617 2.034 -13.831 1.00 0.05 H HETATM 1254 H22 GLY A 1 -6.939 1.608 -12.223 1.00 0.05 H HETATM 1255 H20 GLY A 1 -8.737 3.946 -12.967 1.00 0.08 H HETATM 1256 H19 GLY A 1 -6.788 3.878 -10.817 1.00 0.19 H HETATM 1257 CB GLY A 1 -6.271 6.466 -10.117 1.00 -0.01 C HETATM 1258 CG GLY A 1 -5.522 7.347 -9.132 1.00 -0.04 C HETATM 1259 CD GLY A 1 -6.121 8.742 -9.065 1.00 -0.01 C HETATM 1260 CE GLY A 1 -5.917 9.371 -7.695 1.00 -0.04 C HETATM 1261 NZ GLY A 1 -6.919 8.884 -6.707 1.00 0.22 N HETATM 1262 H16 GLY A 1 -6.751 9.322 -5.815 1.00 0.20 H HETATM 1263 H17 GLY A 1 -6.838 7.884 -6.611 1.00 0.20 H HETATM 1264 H18 GLY A 1 -7.846 9.116 -7.027 1.00 0.20 H HETATM 1265 H14 GLY A 1 -6.010 10.463 -7.787 1.00 0.08 H HETATM 1266 H15 GLY A 1 -4.909 9.118 -7.334 1.00 0.08 H HETATM 1267 H12 GLY A 1 -7.199 8.678 -9.272 1.00 0.03 H HETATM 1268 H13 GLY A 1 -5.639 9.375 -9.824 1.00 0.03 H HETATM 1269 H10 GLY A 1 -4.471 7.424 -9.449 1.00 0.03 H HETATM 1270 H11 GLY A 1 -5.571 6.889 -8.133 1.00 0.03 H HETATM 1271 H8 GLY A 1 -6.471 7.052 -11.026 1.00 0.03 H HETATM 1272 H9 GLY A 1 -5.634 5.606 -10.368 1.00 0.03 H HETATM 1273 H7 GLY A 1 -8.227 6.797 -9.282 1.00 0.08 H HETATM 1274 H6 GLY A 1 -6.461 4.757 -8.222 1.00 0.19 H HETATM 1275 H4 GLY A 1 -7.727 2.917 -6.765 1.00 0.11 H HETATM 1276 H5 GLY A 1 -7.139 4.363 -5.875 1.00 0.11 H HETATM 1277 H1 GLY A 1 -8.800 3.186 -4.680 1.00 0.20 H HETATM 1278 H2 GLY A 1 -9.886 3.358 -5.905 1.00 0.20 H HETATM 1279 H3 GLY A 1 -9.348 4.683 -5.089 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1040 1041 1277 1278 1279 CONECT 1041 1040 1042 1275 1276 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1274 CONECT 1045 1044 1046 1257 1273 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1256 CONECT 1049 1048 1050 1241 1255 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1240 CONECT 1053 1052 1054 1226 1239 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1218 CONECT 1057 1056 1058 1216 1225 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 1061 1215 CONECT 1061 1060 1062 1209 1214 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 1065 1208 CONECT 1065 1064 1066 1189 1207 CONECT 1066 1065 1067 1068 CONECT 1067 1066 CONECT 1068 1066 1069 1181 CONECT 1069 1068 1070 1179 1188 CONECT 1070 1069 1071 1072 CONECT 1071 1070 CONECT 1072 1070 1073 1178 CONECT 1073 1072 1074 1173 1177 CONECT 1074 1073 1075 1076 CONECT 1075 1074 CONECT 1076 1074 1077 1165 CONECT 1077 1076 1078 1163 1172 CONECT 1078 1077 1079 1080 CONECT 1079 1078 CONECT 1080 1078 1081 1162 CONECT 1081 1080 1082 1145 1161 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 1085 1137 CONECT 1085 1084 1086 1135 1144 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 1089 1127 CONECT 1089 1088 1090 1125 1134 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 1124 CONECT 1093 1092 1094 1118 1123 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1117 CONECT 1097 1096 1098 1111 1116 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1110 CONECT 1101 1100 1102 1105 1109 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 1106 1107 1108 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1105 CONECT 1109 1101 CONECT 1110 1100 CONECT 1111 1097 1112 1114 1115 CONECT 1112 1111 1113 CONECT 1113 1112 CONECT 1114 1111 CONECT 1115 1111 CONECT 1116 1097 CONECT 1117 1096 CONECT 1118 1093 1119 1121 1122 CONECT 1119 1118 1120 CONECT 1120 1119 CONECT 1121 1118 CONECT 1122 1118 CONECT 1123 1093 CONECT 1124 1092 CONECT 1125 1089 1126 1132 1133 CONECT 1126 1125 1127 1130 1131 CONECT 1127 1088 1126 1128 1129 CONECT 1128 1127 CONECT 1129 1127 CONECT 1130 1126 CONECT 1131 1126 CONECT 1132 1125 CONECT 1133 1125 CONECT 1134 1089 CONECT 1135 1085 1136 1142 1143 CONECT 1136 1135 1137 1140 1141 CONECT 1137 1084 1136 1138 1139 CONECT 1138 1137 CONECT 1139 1137 CONECT 1140 1136 CONECT 1141 1136 CONECT 1142 1135 CONECT 1143 1135 CONECT 1144 1085 CONECT 1145 1081 1146 1159 1160 CONECT 1146 1145 1147 1157 1158 CONECT 1147 1146 1148 1155 1156 CONECT 1148 1147 1149 1153 1154 CONECT 1149 1148 1150 1151 1152 CONECT 1150 1149 CONECT 1151 1149 CONECT 1152 1149 CONECT 1153 1148 CONECT 1154 1148 CONECT 1155 1147 CONECT 1156 1147 CONECT 1157 1146 CONECT 1158 1146 CONECT 1159 1145 CONECT 1160 1145 CONECT 1161 1081 CONECT 1162 1080 CONECT 1163 1077 1164 1170 1171 CONECT 1164 1163 1165 1168 1169 CONECT 1165 1076 1164 1166 1167 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1164 CONECT 1169 1164 CONECT 1170 1163 CONECT 1171 1163 CONECT 1172 1077 CONECT 1173 1073 1174 1175 1176 CONECT 1174 1173 CONECT 1175 1173 CONECT 1176 1173 CONECT 1177 1073 CONECT 1178 1072 CONECT 1179 1069 1180 1186 1187 CONECT 1180 1179 1181 1184 1185 CONECT 1181 1068 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 CONECT 1184 1180 CONECT 1185 1180 CONECT 1186 1179 CONECT 1187 1179 CONECT 1188 1069 CONECT 1189 1065 1190 1205 1206 CONECT 1190 1189 1191 1203 1204 CONECT 1191 1190 1192 1201 1202 CONECT 1192 1191 1193 1200 CONECT 1193 1192 1194 1197 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1193 1198 1199 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1192 CONECT 1201 1191 CONECT 1202 1191 CONECT 1203 1190 CONECT 1204 1190 CONECT 1205 1189 CONECT 1206 1189 CONECT 1207 1065 CONECT 1208 1064 CONECT 1209 1061 1210 1212 1213 CONECT 1210 1209 1211 CONECT 1211 1210 CONECT 1212 1209 CONECT 1213 1209 CONECT 1214 1061 CONECT 1215 1060 CONECT 1216 1057 1217 1223 1224 CONECT 1217 1216 1218 1221 1222 CONECT 1218 1056 1217 1219 1220 CONECT 1219 1218 CONECT 1220 1218 CONECT 1221 1217 CONECT 1222 1217 CONECT 1223 1216 CONECT 1224 1216 CONECT 1225 1057 CONECT 1226 1053 1227 1234 1238 CONECT 1227 1226 1228 1232 1233 CONECT 1228 1227 1229 1230 1231 CONECT 1229 1228 CONECT 1230 1228 CONECT 1231 1228 CONECT 1232 1227 CONECT 1233 1227 CONECT 1234 1226 1235 1236 1237 CONECT 1235 1234 CONECT 1236 1234 CONECT 1237 1234 CONECT 1238 1226 CONECT 1239 1053 CONECT 1240 1052 CONECT 1241 1049 1242 1253 1254 CONECT 1242 1241 1243 1247 CONECT 1243 1242 1244 1252 CONECT 1244 1243 1245 1251 CONECT 1245 1244 1246 1250 CONECT 1246 1245 1247 1249 CONECT 1247 1242 1246 1248 CONECT 1248 1247 CONECT 1249 1246 CONECT 1250 1245 CONECT 1251 1244 CONECT 1252 1243 CONECT 1253 1241 CONECT 1254 1241 CONECT 1255 1049 CONECT 1256 1048 CONECT 1257 1045 1258 1271 1272 CONECT 1258 1257 1259 1269 1270 CONECT 1259 1258 1260 1267 1268 CONECT 1260 1259 1261 1265 1266 CONECT 1261 1260 1262 1263 1264 CONECT 1262 1261 CONECT 1263 1261 CONECT 1264 1261 CONECT 1265 1260 CONECT 1266 1260 CONECT 1267 1259 CONECT 1268 1259 CONECT 1269 1258 CONECT 1270 1258 CONECT 1271 1257 CONECT 1272 1257 CONECT 1273 1045 CONECT 1274 1044 CONECT 1275 1041 CONECT 1276 1041 CONECT 1277 1040 CONECT 1278 1040 CONECT 1279 1040 MASTER 0 0 0 0 0 0 0 0 1278 1 244 6 END
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Entry Information
PDB ID
2lcs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
NAP1-binding protein 2
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.2uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem. Vol. 287: pp. 9168-9177
Ligand Properties
Formula
C
7
5
H
1
2
5
N
2
1
O
2
0
Molecular Weight
1640.920
Exact Mass
1639.940
No. of atoms
241
No. of bonds
246
Polar Surface Area
639.47
LOGP Value
-4.60 (
Computed with XLOGP3
)
-6.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 62
No. of Nitrogen and Oxygen Atoms: 41
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CO)CO)CCCC[NH3+])C)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C[NH3+])CCCC[NH3+]
InChI String
InChI=1S/C75H121N21O20/c1-5-42(2)59(91-61(102)49(37-45-19-7-6-8-20-45)87-60(101)46(21-9-11-29-76)84-58(100)38-78)73(114)95-35-17-27-56(95)68(109)89-51(40-98)63(104)85-48(23-13-31-81-75(79)80)70(111)93-33-15-24-53(93)65(106)82-43(3)69(110)92-32-14-25-54(92)66(107)86-47(22-10-12-30-77)71(112)96-36-18-28-57(96)72(113)94-34-16-26-55(94)67(108)90-52(41-99)64(105)88-50(39-97)62(103)83-44(4)74(115)116/h6-8,19-20,42-44,46-57,59,97-99H,5,9-18,21-41,76-78H2,1-4H3,(H,82,106)(H,83,103)(H,84,100)(H,85,104)(H,86,107)(H,87,101)(H,88,105)(H,89,109)(H,90,108)(H,91,102)(H,115,116)(H4,79,80,81)/p+4/t42-,43-,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q03497
Q12163
Entrez Gene ID
NCBI Entrez Gene ID:
856382
851740
ASD
Information of known allosteric effects of PDB entries
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