Browse entries in the PDBbind-CN Database
HEADER 1GUW_COMPLEX COMPND 1GUW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 73 HIS MET VAL GLU GLU VAL LEU GLU GLU GLU GLU GLU GLU SEQRES 2 A 73 TYR VAL VAL GLU LYS VAL LEU ASP ARG ARG VAL VAL LYS SEQRES 3 A 73 GLY LYS VAL GLU TYR LEU LEU LYS TRP LYS GLY PHE SER SEQRES 4 A 73 ASP GLU ASP ASN THR TRP GLU PRO GLU GLU ASN LEU ASP SEQRES 5 A 73 CYS PRO ASP LEU ILE ALA GLU PHE LEU GLN SER GLN LYS SEQRES 6 A 73 THR ALA HIS GLU THR ASP LYS SER HET ALA A 74 271 ATOM 1 N HIS A 8 -24.643 -13.209 13.440 1.00 0.00 N ATOM 2 CA HIS A 8 -26.019 -13.632 13.071 1.00 0.00 C ATOM 3 C HIS A 8 -27.060 -13.043 14.020 1.00 0.00 C ATOM 4 O HIS A 8 -26.828 -12.932 15.225 1.00 0.00 O ATOM 5 CB HIS A 8 -26.086 -15.165 13.075 1.00 0.00 C ATOM 6 CG HIS A 8 -25.650 -15.812 14.361 1.00 0.00 C ATOM 7 ND1 HIS A 8 -25.678 -17.177 14.556 1.00 0.00 N ATOM 8 CD2 HIS A 8 -25.171 -15.282 15.514 1.00 0.00 C ATOM 9 CE1 HIS A 8 -25.238 -17.459 15.769 1.00 0.00 C ATOM 10 NE2 HIS A 8 -24.923 -16.328 16.370 1.00 0.00 N ATOM 11 HA HIS A 8 -26.248 -13.256 12.074 1.00 0.00 H ATOM 12 HB2 HIS A 8 -27.117 -15.460 12.879 1.00 0.00 H ATOM 13 HB3 HIS A 8 -25.445 -15.535 12.275 1.00 0.00 H ATOM 14 HD2 HIS A 8 -25.012 -14.224 15.723 1.00 0.00 H ATOM 15 HE1 HIS A 8 -25.150 -18.456 16.200 1.00 0.00 H ATOM 16 HN3 HIS A 8 -24.429 -13.532 14.405 1.00 0.00 H ATOM 17 HN2 HIS A 8 -24.577 -12.172 13.398 1.00 0.00 H ATOM 18 HN1 HIS A 8 -23.963 -13.628 12.774 1.00 0.00 H ATOM 19 N MET A 9 -28.209 -12.661 13.465 1.00 0.00 N ATOM 20 CA MET A 9 -29.291 -12.078 14.254 1.00 0.00 C ATOM 21 C MET A 9 -28.827 -10.815 14.971 1.00 0.00 C ATOM 22 O MET A 9 -29.014 -10.671 16.180 1.00 0.00 O ATOM 23 CB MET A 9 -29.820 -13.094 15.269 1.00 0.00 C ATOM 24 CG MET A 9 -30.393 -14.350 14.632 1.00 0.00 C ATOM 25 SD MET A 9 -31.785 -14.001 13.541 1.00 0.00 S ATOM 26 CE MET A 9 -32.204 -15.652 12.991 1.00 0.00 C ATOM 27 HA MET A 9 -30.096 -11.808 13.571 1.00 0.00 H ATOM 28 HB2 MET A 9 -29.000 -13.384 15.926 1.00 0.00 H ATOM 29 HB3 MET A 9 -30.604 -12.617 15.857 1.00 0.00 H ATOM 30 HG2 MET A 9 -30.729 -15.021 15.423 1.00 0.00 H ATOM 31 HG3 MET A 9 -29.609 -14.837 14.053 1.00 0.00 H ATOM 32 HE1 MET A 9 -31.348 -16.091 12.479 1.00 0.00 H ATOM 33 HE2 MET A 9 -32.468 -16.265 13.853 1.00 0.00 H ATOM 34 HE3 MET A 9 -33.051 -15.602 12.307 1.00 0.00 H ATOM 35 H MET A 9 -28.339 -12.781 12.440 1.00 0.00 H ATOM 36 N VAL A 10 -28.221 -9.901 14.220 1.00 0.00 N ATOM 37 CA VAL A 10 -27.728 -8.650 14.784 1.00 0.00 C ATOM 38 C VAL A 10 -27.879 -7.501 13.787 1.00 0.00 C ATOM 39 O VAL A 10 -28.821 -7.480 12.995 1.00 0.00 O ATOM 40 CB VAL A 10 -26.248 -8.775 15.203 1.00 0.00 C ATOM 41 CG1 VAL A 10 -26.095 -9.769 16.344 1.00 0.00 C ATOM 42 CG2 VAL A 10 -25.390 -9.185 14.016 1.00 0.00 C ATOM 43 HA VAL A 10 -28.329 -8.434 15.667 1.00 0.00 H ATOM 44 HB VAL A 10 -25.907 -7.800 15.552 1.00 0.00 H ATOM 45 HG11 VAL A 10 -26.677 -9.429 17.201 1.00 0.00 H ATOM 46 HG12 VAL A 10 -26.455 -10.747 16.023 1.00 0.00 H ATOM 47 HG13 VAL A 10 -25.044 -9.841 16.623 1.00 0.00 H ATOM 48 HG21 VAL A 10 -25.733 -10.147 13.636 1.00 0.00 H ATOM 49 HG22 VAL A 10 -25.474 -8.433 13.232 1.00 0.00 H ATOM 50 HG23 VAL A 10 -24.350 -9.268 14.332 1.00 0.00 H ATOM 51 H VAL A 10 -28.095 -10.083 13.204 1.00 0.00 H ATOM 52 N GLU A 11 -26.951 -6.547 13.830 1.00 0.00 N ATOM 53 CA GLU A 11 -26.992 -5.401 12.930 1.00 0.00 C ATOM 54 C GLU A 11 -26.781 -5.833 11.481 1.00 0.00 C ATOM 55 O GLU A 11 -25.876 -6.614 11.183 1.00 0.00 O ATOM 56 CB GLU A 11 -25.930 -4.375 13.332 1.00 0.00 C ATOM 57 CG GLU A 11 -26.115 -3.831 14.740 1.00 0.00 C ATOM 58 CD GLU A 11 -25.070 -2.796 15.109 1.00 0.00 C ATOM 59 OE1 GLU A 11 -23.868 -3.134 15.092 1.00 0.00 O ATOM 60 OE2 GLU A 11 -25.455 -1.649 15.418 1.00 0.00 O ATOM 61 HA GLU A 11 -27.978 -4.944 13.009 1.00 0.00 H ATOM 62 HB2 GLU A 11 -24.951 -4.850 13.271 1.00 0.00 H ATOM 63 HB3 GLU A 11 -25.973 -3.541 12.631 1.00 0.00 H ATOM 64 HG2 GLU A 11 -27.101 -3.372 14.810 1.00 0.00 H ATOM 65 HG3 GLU A 11 -26.050 -4.659 15.446 1.00 0.00 H ATOM 66 H GLU A 11 -26.178 -6.621 14.522 1.00 0.00 H ATOM 67 N GLU A 12 -27.621 -5.322 10.587 1.00 0.00 N ATOM 68 CA GLU A 12 -27.526 -5.656 9.170 1.00 0.00 C ATOM 69 C GLU A 12 -26.232 -5.113 8.571 1.00 0.00 C ATOM 70 O GLU A 12 -25.911 -3.935 8.729 1.00 0.00 O ATOM 71 CB GLU A 12 -28.729 -5.095 8.409 1.00 0.00 C ATOM 72 CG GLU A 12 -30.068 -5.622 8.901 1.00 0.00 C ATOM 73 CD GLU A 12 -30.234 -7.115 8.681 1.00 0.00 C ATOM 74 OE1 GLU A 12 -29.327 -7.736 8.088 1.00 0.00 O ATOM 75 OE2 GLU A 12 -31.277 -7.662 9.096 1.00 0.00 O ATOM 76 HA GLU A 12 -27.522 -6.742 9.077 1.00 0.00 H ATOM 77 HB2 GLU A 12 -28.727 -4.010 8.514 1.00 0.00 H ATOM 78 HB3 GLU A 12 -28.622 -5.357 7.356 1.00 0.00 H ATOM 79 HG2 GLU A 12 -30.152 -5.416 9.968 1.00 0.00 H ATOM 80 HG3 GLU A 12 -30.864 -5.101 8.368 1.00 0.00 H ATOM 81 H GLU A 12 -28.364 -4.668 10.905 1.00 0.00 H ATOM 82 N VAL A 13 -25.493 -5.978 7.883 1.00 0.00 N ATOM 83 CA VAL A 13 -24.236 -5.581 7.262 1.00 0.00 C ATOM 84 C VAL A 13 -24.477 -4.691 6.044 1.00 0.00 C ATOM 85 O VAL A 13 -25.309 -4.999 5.191 1.00 0.00 O ATOM 86 CB VAL A 13 -23.404 -6.810 6.842 1.00 0.00 C ATOM 87 CG1 VAL A 13 -24.175 -7.674 5.853 1.00 0.00 C ATOM 88 CG2 VAL A 13 -22.068 -6.377 6.257 1.00 0.00 C ATOM 89 HA VAL A 13 -23.678 -5.016 8.009 1.00 0.00 H ATOM 90 HB VAL A 13 -23.208 -7.410 7.731 1.00 0.00 H ATOM 91 HG11 VAL A 13 -25.100 -8.017 6.316 1.00 0.00 H ATOM 92 HG12 VAL A 13 -24.408 -7.087 4.965 1.00 0.00 H ATOM 93 HG13 VAL A 13 -23.567 -8.534 5.573 1.00 0.00 H ATOM 94 HG21 VAL A 13 -22.242 -5.751 5.382 1.00 0.00 H ATOM 95 HG22 VAL A 13 -21.512 -5.812 7.005 1.00 0.00 H ATOM 96 HG23 VAL A 13 -21.497 -7.259 5.967 1.00 0.00 H ATOM 97 H VAL A 13 -25.820 -6.961 7.786 1.00 0.00 H ATOM 98 N LEU A 14 -23.736 -3.586 5.973 1.00 0.00 N ATOM 99 CA LEU A 14 -23.857 -2.648 4.861 1.00 0.00 C ATOM 100 C LEU A 14 -22.820 -1.535 5.001 1.00 0.00 C ATOM 101 O LEU A 14 -23.133 -0.353 4.860 1.00 0.00 O ATOM 102 CB LEU A 14 -25.270 -2.050 4.814 1.00 0.00 C ATOM 103 CG LEU A 14 -25.821 -1.766 3.411 1.00 0.00 C ATOM 104 CD1 LEU A 14 -27.238 -1.219 3.497 1.00 0.00 C ATOM 105 CD2 LEU A 14 -24.926 -0.795 2.654 1.00 0.00 C ATOM 106 HA LEU A 14 -23.677 -3.186 3.930 1.00 0.00 H ATOM 107 HB2 LEU A 14 -25.947 -2.748 5.306 1.00 0.00 H ATOM 108 HB3 LEU A 14 -25.256 -1.110 5.366 1.00 0.00 H ATOM 109 HG LEU A 14 -25.839 -2.707 2.862 1.00 0.00 H ATOM 110 HD21 LEU A 14 -24.867 0.145 3.202 1.00 0.00 H ATOM 111 HD22 LEU A 14 -23.928 -1.223 2.556 1.00 0.00 H ATOM 112 HD23 LEU A 14 -25.344 -0.614 1.664 1.00 0.00 H ATOM 113 HD11 LEU A 14 -27.879 -1.950 3.989 1.00 0.00 H ATOM 114 HD12 LEU A 14 -27.234 -0.293 4.071 1.00 0.00 H ATOM 115 HD13 LEU A 14 -27.612 -1.024 2.492 1.00 0.00 H ATOM 116 H LEU A 14 -23.052 -3.386 6.731 1.00 0.00 H ATOM 117 N GLU A 15 -21.582 -1.929 5.287 1.00 0.00 N ATOM 118 CA GLU A 15 -20.489 -0.977 5.453 1.00 0.00 C ATOM 119 C GLU A 15 -19.171 -1.705 5.691 1.00 0.00 C ATOM 120 O GLU A 15 -19.129 -2.711 6.400 1.00 0.00 O ATOM 121 CB GLU A 15 -20.776 -0.028 6.619 1.00 0.00 C ATOM 122 CG GLU A 15 -20.967 -0.738 7.951 1.00 0.00 C ATOM 123 CD GLU A 15 -21.240 0.227 9.089 1.00 0.00 C ATOM 124 OE1 GLU A 15 -22.248 0.961 9.017 1.00 0.00 O ATOM 125 OE2 GLU A 15 -20.446 0.247 10.053 1.00 0.00 O ATOM 126 HA GLU A 15 -20.407 -0.395 4.535 1.00 0.00 H ATOM 127 HB2 GLU A 15 -19.939 0.664 6.714 1.00 0.00 H ATOM 128 HB3 GLU A 15 -21.684 0.531 6.393 1.00 0.00 H ATOM 129 HG2 GLU A 15 -21.810 -1.424 7.864 1.00 0.00 H ATOM 130 HG3 GLU A 15 -20.063 -1.302 8.180 1.00 0.00 H ATOM 131 H GLU A 15 -21.388 -2.945 5.395 1.00 0.00 H ATOM 132 N GLU A 16 -18.099 -1.187 5.092 1.00 0.00 N ATOM 133 CA GLU A 16 -16.771 -1.780 5.229 1.00 0.00 C ATOM 134 C GLU A 16 -16.707 -3.155 4.570 1.00 0.00 C ATOM 135 O GLU A 16 -17.611 -3.977 4.730 1.00 0.00 O ATOM 136 CB GLU A 16 -16.381 -1.890 6.707 1.00 0.00 C ATOM 137 CG GLU A 16 -16.376 -0.556 7.435 1.00 0.00 C ATOM 138 CD GLU A 16 -16.000 -0.690 8.898 1.00 0.00 C ATOM 139 OE1 GLU A 16 -16.714 -1.405 9.633 1.00 0.00 O ATOM 140 OE2 GLU A 16 -14.991 -0.078 9.311 1.00 0.00 O ATOM 141 HA GLU A 16 -16.063 -1.125 4.722 1.00 0.00 H ATOM 142 HB2 GLU A 16 -17.092 -2.551 7.203 1.00 0.00 H ATOM 143 HB3 GLU A 16 -15.382 -2.321 6.769 1.00 0.00 H ATOM 144 HG2 GLU A 16 -15.658 0.104 6.949 1.00 0.00 H ATOM 145 HG3 GLU A 16 -17.372 -0.119 7.369 1.00 0.00 H ATOM 146 H GLU A 16 -18.212 -0.333 4.509 1.00 0.00 H ATOM 147 N GLU A 17 -15.631 -3.397 3.828 1.00 0.00 N ATOM 148 CA GLU A 17 -15.440 -4.672 3.142 1.00 0.00 C ATOM 149 C GLU A 17 -14.024 -4.763 2.573 1.00 0.00 C ATOM 150 O GLU A 17 -13.817 -5.217 1.447 1.00 0.00 O ATOM 151 CB GLU A 17 -16.477 -4.833 2.023 1.00 0.00 C ATOM 152 CG GLU A 17 -16.494 -6.220 1.394 1.00 0.00 C ATOM 153 CD GLU A 17 -16.942 -7.302 2.359 1.00 0.00 C ATOM 154 OE1 GLU A 17 -17.282 -6.969 3.514 1.00 0.00 O ATOM 155 OE2 GLU A 17 -16.957 -8.484 1.956 1.00 0.00 O ATOM 156 HA GLU A 17 -15.576 -5.479 3.862 1.00 0.00 H ATOM 157 HB2 GLU A 17 -17.465 -4.632 2.438 1.00 0.00 H ATOM 158 HB3 GLU A 17 -16.257 -4.104 1.243 1.00 0.00 H ATOM 159 HG2 GLU A 17 -17.176 -6.208 0.544 1.00 0.00 H ATOM 160 HG3 GLU A 17 -15.488 -6.457 1.048 1.00 0.00 H ATOM 161 H GLU A 17 -14.905 -2.658 3.733 1.00 0.00 H ATOM 162 N GLU A 18 -13.052 -4.323 3.364 1.00 0.00 N ATOM 163 CA GLU A 18 -11.653 -4.349 2.953 1.00 0.00 C ATOM 164 C GLU A 18 -11.115 -5.776 2.923 1.00 0.00 C ATOM 165 O GLU A 18 -11.452 -6.595 3.777 1.00 0.00 O ATOM 166 CB GLU A 18 -10.805 -3.492 3.886 1.00 0.00 C ATOM 167 CG GLU A 18 -11.130 -2.007 3.831 1.00 0.00 C ATOM 168 CD GLU A 18 -12.540 -1.695 4.294 1.00 0.00 C ATOM 169 OE1 GLU A 18 -12.862 -1.999 5.462 1.00 0.00 O ATOM 170 OE2 GLU A 18 -13.322 -1.147 3.489 1.00 0.00 O ATOM 171 HA GLU A 18 -11.595 -3.939 1.945 1.00 0.00 H ATOM 172 HB2 GLU A 18 -10.961 -3.839 4.907 1.00 0.00 H ATOM 173 HB3 GLU A 18 -9.757 -3.624 3.615 1.00 0.00 H ATOM 174 HG2 GLU A 18 -10.427 -1.473 4.470 1.00 0.00 H ATOM 175 HG3 GLU A 18 -11.017 -1.664 2.803 1.00 0.00 H ATOM 176 H GLU A 18 -13.296 -3.949 4.303 1.00 0.00 H ATOM 177 N GLU A 19 -10.273 -6.064 1.934 1.00 0.00 N ATOM 178 CA GLU A 19 -9.684 -7.391 1.791 1.00 0.00 C ATOM 179 C GLU A 19 -8.175 -7.297 1.585 1.00 0.00 C ATOM 180 O GLU A 19 -7.684 -6.376 0.933 1.00 0.00 O ATOM 181 CB GLU A 19 -10.331 -8.140 0.627 1.00 0.00 C ATOM 182 CG GLU A 19 -11.816 -8.397 0.819 1.00 0.00 C ATOM 183 CD GLU A 19 -12.428 -9.158 -0.340 1.00 0.00 C ATOM 184 OE1 GLU A 19 -12.386 -8.642 -1.477 1.00 0.00 O ATOM 185 OE2 GLU A 19 -12.948 -10.269 -0.112 1.00 0.00 O ATOM 186 HA GLU A 19 -9.870 -7.945 2.711 1.00 0.00 H ATOM 187 HB2 GLU A 19 -10.198 -7.550 -0.280 1.00 0.00 H ATOM 188 HB3 GLU A 19 -9.827 -9.100 0.512 1.00 0.00 H ATOM 189 HG2 GLU A 19 -11.956 -8.977 1.731 1.00 0.00 H ATOM 190 HG3 GLU A 19 -12.327 -7.439 0.917 1.00 0.00 H ATOM 191 H GLU A 19 -10.028 -5.324 1.245 1.00 0.00 H ATOM 192 N GLU A 20 -7.450 -8.248 2.164 1.00 0.00 N ATOM 193 CA GLU A 20 -5.992 -8.283 2.070 1.00 0.00 C ATOM 194 C GLU A 20 -5.511 -8.664 0.669 1.00 0.00 C ATOM 195 O GLU A 20 -4.956 -9.746 0.471 1.00 0.00 O ATOM 196 CB GLU A 20 -5.423 -9.269 3.095 1.00 0.00 C ATOM 197 CG GLU A 20 -5.755 -8.912 4.534 1.00 0.00 C ATOM 198 CD GLU A 20 -5.203 -9.918 5.525 1.00 0.00 C ATOM 199 OE1 GLU A 20 -3.967 -10.097 5.562 1.00 0.00 O ATOM 200 OE2 GLU A 20 -6.006 -10.526 6.262 1.00 0.00 O ATOM 201 HA GLU A 20 -5.631 -7.277 2.281 1.00 0.00 H ATOM 202 HB2 GLU A 20 -5.828 -10.258 2.883 1.00 0.00 H ATOM 203 HB3 GLU A 20 -4.339 -9.291 2.987 1.00 0.00 H ATOM 204 HG2 GLU A 20 -5.332 -7.933 4.758 1.00 0.00 H ATOM 205 HG3 GLU A 20 -6.839 -8.872 4.643 1.00 0.00 H ATOM 206 H GLU A 20 -7.937 -8.993 2.702 1.00 0.00 H ATOM 207 N TYR A 21 -5.707 -7.771 -0.298 1.00 0.00 N ATOM 208 CA TYR A 21 -5.266 -8.026 -1.666 1.00 0.00 C ATOM 209 C TYR A 21 -3.753 -8.203 -1.715 1.00 0.00 C ATOM 210 O TYR A 21 -3.013 -7.474 -1.053 1.00 0.00 O ATOM 211 CB TYR A 21 -5.685 -6.888 -2.602 1.00 0.00 C ATOM 212 CG TYR A 21 -7.138 -6.935 -3.025 1.00 0.00 C ATOM 213 CD1 TYR A 21 -8.159 -6.982 -2.085 1.00 0.00 C ATOM 214 CD2 TYR A 21 -7.486 -6.935 -4.371 1.00 0.00 C ATOM 215 CE1 TYR A 21 -9.485 -7.025 -2.474 1.00 0.00 C ATOM 216 CE2 TYR A 21 -8.810 -6.978 -4.766 1.00 0.00 C ATOM 217 CZ TYR A 21 -9.805 -7.023 -3.814 1.00 0.00 C ATOM 218 OH TYR A 21 -11.124 -7.067 -4.203 1.00 0.00 O ATOM 219 HA TYR A 21 -5.745 -8.945 -2.003 1.00 0.00 H ATOM 220 HB3 TYR A 21 -5.066 -6.937 -3.498 1.00 0.00 H ATOM 221 HB2 TYR A 21 -5.508 -5.942 -2.091 1.00 0.00 H ATOM 222 HD2 TYR A 21 -6.702 -6.901 -5.127 1.00 0.00 H ATOM 223 HE2 TYR A 21 -9.066 -6.976 -5.826 1.00 0.00 H ATOM 224 HE1 TYR A 21 -10.274 -7.060 -1.723 1.00 0.00 H ATOM 225 HD1 TYR A 21 -7.911 -6.985 -1.024 1.00 0.00 H ATOM 226 HH TYR A 21 -11.703 -7.096 -3.400 1.00 0.00 H ATOM 227 H TYR A 21 -6.184 -6.874 -0.075 1.00 0.00 H ATOM 228 N VAL A 22 -3.300 -9.177 -2.499 1.00 0.00 N ATOM 229 CA VAL A 22 -1.876 -9.454 -2.634 1.00 0.00 C ATOM 230 C VAL A 22 -1.112 -8.210 -3.078 1.00 0.00 C ATOM 231 O VAL A 22 -1.535 -7.503 -3.993 1.00 0.00 O ATOM 232 CB VAL A 22 -1.624 -10.588 -3.645 1.00 0.00 C ATOM 233 CG1 VAL A 22 -0.144 -10.931 -3.710 1.00 0.00 C ATOM 234 CG2 VAL A 22 -2.449 -11.814 -3.284 1.00 0.00 C ATOM 235 HA VAL A 22 -1.517 -9.763 -1.652 1.00 0.00 H ATOM 236 HB VAL A 22 -1.934 -10.246 -4.632 1.00 0.00 H ATOM 237 HG11 VAL A 22 0.418 -10.050 -4.020 1.00 0.00 H ATOM 238 HG12 VAL A 22 0.197 -11.253 -2.726 1.00 0.00 H ATOM 239 HG13 VAL A 22 0.010 -11.734 -4.430 1.00 0.00 H ATOM 240 HG21 VAL A 22 -2.170 -12.158 -2.288 1.00 0.00 H ATOM 241 HG22 VAL A 22 -3.508 -11.555 -3.297 1.00 0.00 H ATOM 242 HG23 VAL A 22 -2.258 -12.605 -4.009 1.00 0.00 H ATOM 243 H VAL A 22 -3.981 -9.757 -3.030 1.00 0.00 H ATOM 244 N VAL A 23 0.013 -7.947 -2.420 1.00 0.00 N ATOM 245 CA VAL A 23 0.836 -6.787 -2.743 1.00 0.00 C ATOM 246 C VAL A 23 2.217 -7.209 -3.229 1.00 0.00 C ATOM 247 O VAL A 23 2.880 -8.036 -2.602 1.00 0.00 O ATOM 248 CB VAL A 23 0.996 -5.861 -1.523 1.00 0.00 C ATOM 249 CG1 VAL A 23 1.818 -4.633 -1.880 1.00 0.00 C ATOM 250 CG2 VAL A 23 -0.366 -5.464 -0.979 1.00 0.00 C ATOM 251 HA VAL A 23 0.325 -6.247 -3.540 1.00 0.00 H ATOM 252 HB VAL A 23 1.531 -6.405 -0.745 1.00 0.00 H ATOM 253 HG11 VAL A 23 2.807 -4.945 -2.217 1.00 0.00 H ATOM 254 HG12 VAL A 23 1.318 -4.082 -2.677 1.00 0.00 H ATOM 255 HG13 VAL A 23 1.916 -3.995 -1.002 1.00 0.00 H ATOM 256 HG21 VAL A 23 -0.926 -4.940 -1.753 1.00 0.00 H ATOM 257 HG22 VAL A 23 -0.910 -6.359 -0.678 1.00 0.00 H ATOM 258 HG23 VAL A 23 -0.235 -4.810 -0.117 1.00 0.00 H ATOM 259 H VAL A 23 0.314 -8.585 -1.655 1.00 0.00 H ATOM 260 N GLU A 24 2.645 -6.634 -4.347 1.00 0.00 N ATOM 261 CA GLU A 24 3.949 -6.950 -4.914 1.00 0.00 C ATOM 262 C GLU A 24 5.064 -6.255 -4.138 1.00 0.00 C ATOM 263 O GLU A 24 6.008 -6.898 -3.680 1.00 0.00 O ATOM 264 CB GLU A 24 4.002 -6.535 -6.385 1.00 0.00 C ATOM 265 CG GLU A 24 5.239 -7.040 -7.106 1.00 0.00 C ATOM 266 CD GLU A 24 5.218 -8.540 -7.326 1.00 0.00 C ATOM 267 OE1 GLU A 24 5.193 -9.288 -6.325 1.00 0.00 O ATOM 268 OE2 GLU A 24 5.224 -8.968 -8.499 1.00 0.00 O ATOM 269 HA GLU A 24 4.097 -8.027 -4.841 1.00 0.00 H ATOM 270 HB2 GLU A 24 3.121 -6.932 -6.889 1.00 0.00 H ATOM 271 HB3 GLU A 24 3.990 -5.446 -6.439 1.00 0.00 H ATOM 272 HG2 GLU A 24 5.304 -6.546 -8.076 1.00 0.00 H ATOM 273 HG3 GLU A 24 6.117 -6.787 -6.512 1.00 0.00 H ATOM 274 H GLU A 24 2.035 -5.943 -4.829 1.00 0.00 H ATOM 275 N LYS A 25 4.944 -4.934 -3.996 1.00 0.00 N ATOM 276 CA LYS A 25 5.939 -4.137 -3.280 1.00 0.00 C ATOM 277 C LYS A 25 5.573 -2.659 -3.320 1.00 0.00 C ATOM 278 O LYS A 25 5.080 -2.167 -4.336 1.00 0.00 O ATOM 279 CB LYS A 25 7.324 -4.325 -3.901 1.00 0.00 C ATOM 280 CG LYS A 25 8.428 -3.583 -3.163 1.00 0.00 C ATOM 281 CD LYS A 25 9.770 -3.720 -3.867 1.00 0.00 C ATOM 282 CE LYS A 25 9.755 -3.060 -5.238 1.00 0.00 C ATOM 283 NZ LYS A 25 9.438 -1.608 -5.152 1.00 0.00 N ATOM 284 HA LYS A 25 5.956 -4.477 -2.244 1.00 0.00 H ATOM 285 HB2 LYS A 25 7.562 -5.389 -3.898 1.00 0.00 H ATOM 286 HB3 LYS A 25 7.293 -3.964 -4.929 1.00 0.00 H ATOM 287 HG2 LYS A 25 8.166 -2.527 -3.105 1.00 0.00 H ATOM 288 HG3 LYS A 25 8.515 -3.990 -2.156 1.00 0.00 H ATOM 289 HD2 LYS A 25 10.540 -3.249 -3.256 1.00 0.00 H ATOM 290 HD3 LYS A 25 10.000 -4.779 -3.987 1.00 0.00 H ATOM 291 HE2 LYS A 25 9.003 -3.549 -5.857 1.00 0.00 H ATOM 292 HE3 LYS A 25 10.736 -3.180 -5.698 1.00 0.00 H ATOM 293 HZ1 LYS A 25 8.500 -1.484 -4.720 1.00 0.00 H ATOM 294 HZ2 LYS A 25 10.155 -1.132 -4.569 1.00 0.00 H ATOM 295 HZ3 LYS A 25 9.438 -1.197 -6.107 1.00 0.00 H ATOM 296 H LYS A 25 4.117 -4.456 -4.407 1.00 0.00 H ATOM 297 N VAL A 26 5.822 -1.945 -2.225 1.00 0.00 N ATOM 298 CA VAL A 26 5.518 -0.522 -2.178 1.00 0.00 C ATOM 299 C VAL A 26 6.409 0.231 -3.164 1.00 0.00 C ATOM 300 O VAL A 26 7.626 0.037 -3.190 1.00 0.00 O ATOM 301 CB VAL A 26 5.681 0.063 -0.753 1.00 0.00 C ATOM 302 CG1 VAL A 26 5.113 -0.882 0.288 1.00 0.00 C ATOM 303 CG2 VAL A 26 7.121 0.373 -0.441 1.00 0.00 C ATOM 304 HA VAL A 26 4.473 -0.398 -2.460 1.00 0.00 H ATOM 305 HB VAL A 26 5.121 0.998 -0.722 1.00 0.00 H ATOM 306 HG11 VAL A 26 4.052 -1.041 0.093 1.00 0.00 H ATOM 307 HG12 VAL A 26 5.639 -1.835 0.237 1.00 0.00 H ATOM 308 HG13 VAL A 26 5.240 -0.447 1.279 1.00 0.00 H ATOM 309 HG21 VAL A 26 7.711 -0.541 -0.507 1.00 0.00 H ATOM 310 HG22 VAL A 26 7.498 1.103 -1.158 1.00 0.00 H ATOM 311 HG23 VAL A 26 7.193 0.781 0.567 1.00 0.00 H ATOM 312 H VAL A 26 6.239 -2.409 -1.393 1.00 0.00 H ATOM 313 N LEU A 27 5.799 1.063 -3.997 1.00 0.00 N ATOM 314 CA LEU A 27 6.547 1.811 -4.996 1.00 0.00 C ATOM 315 C LEU A 27 7.252 3.016 -4.389 1.00 0.00 C ATOM 316 O LEU A 27 8.406 3.293 -4.720 1.00 0.00 O ATOM 317 CB LEU A 27 5.637 2.262 -6.143 1.00 0.00 C ATOM 318 CG LEU A 27 5.039 1.136 -6.994 1.00 0.00 C ATOM 319 CD1 LEU A 27 4.029 0.329 -6.194 1.00 0.00 C ATOM 320 CD2 LEU A 27 4.397 1.700 -8.252 1.00 0.00 C ATOM 321 HA LEU A 27 7.307 1.137 -5.393 1.00 0.00 H ATOM 322 HB2 LEU A 27 4.813 2.832 -5.714 1.00 0.00 H ATOM 323 HB3 LEU A 27 6.220 2.907 -6.801 1.00 0.00 H ATOM 324 HG LEU A 27 5.848 0.468 -7.289 1.00 0.00 H ATOM 325 HD21 LEU A 27 3.603 2.393 -7.974 1.00 0.00 H ATOM 326 HD22 LEU A 27 5.151 2.225 -8.839 1.00 0.00 H ATOM 327 HD23 LEU A 27 3.979 0.884 -8.842 1.00 0.00 H ATOM 328 HD11 LEU A 27 4.522 -0.110 -5.327 1.00 0.00 H ATOM 329 HD12 LEU A 27 3.223 0.984 -5.862 1.00 0.00 H ATOM 330 HD13 LEU A 27 3.620 -0.463 -6.821 1.00 0.00 H ATOM 331 H LEU A 27 4.768 1.183 -3.935 1.00 0.00 H ATOM 332 N ASP A 28 6.562 3.742 -3.510 1.00 0.00 N ATOM 333 CA ASP A 28 7.156 4.925 -2.888 1.00 0.00 C ATOM 334 C ASP A 28 6.539 5.228 -1.522 1.00 0.00 C ATOM 335 O ASP A 28 6.172 4.319 -0.776 1.00 0.00 O ATOM 336 CB ASP A 28 6.994 6.138 -3.810 1.00 0.00 C ATOM 337 CG ASP A 28 7.741 5.986 -5.121 1.00 0.00 C ATOM 338 OD1 ASP A 28 8.984 5.867 -5.086 1.00 0.00 O ATOM 339 OD2 ASP A 28 7.083 5.982 -6.182 1.00 0.00 O ATOM 340 HA ASP A 28 8.214 4.716 -2.733 1.00 0.00 H ATOM 341 HB2 ASP A 28 5.934 6.272 -4.027 1.00 0.00 H ATOM 342 HB3 ASP A 28 7.372 7.021 -3.294 1.00 0.00 H ATOM 343 H ASP A 28 5.591 3.464 -3.264 1.00 0.00 H ATOM 344 N ARG A 29 6.446 6.520 -1.199 1.00 0.00 N ATOM 345 CA ARG A 29 5.894 6.968 0.074 1.00 0.00 C ATOM 346 C ARG A 29 5.650 8.475 0.052 1.00 0.00 C ATOM 347 O ARG A 29 6.528 9.245 -0.340 1.00 0.00 O ATOM 348 CB ARG A 29 6.858 6.627 1.212 1.00 0.00 C ATOM 349 CG ARG A 29 6.452 7.213 2.553 1.00 0.00 C ATOM 350 CD ARG A 29 7.555 7.049 3.588 1.00 0.00 C ATOM 351 NE ARG A 29 8.791 7.716 3.183 1.00 0.00 N ATOM 352 CZ ARG A 29 8.899 9.031 2.998 1.00 0.00 C ATOM 353 NH1 ARG A 29 7.852 9.824 3.191 1.00 0.00 N ATOM 354 NH2 ARG A 29 10.057 9.555 2.624 1.00 0.00 N ATOM 355 HA ARG A 29 4.945 6.457 0.235 1.00 0.00 H ATOM 356 HB2 ARG A 29 6.905 5.542 1.310 1.00 0.00 H ATOM 357 HB3 ARG A 29 7.845 7.010 0.953 1.00 0.00 H ATOM 358 HG2 ARG A 29 6.239 8.274 2.427 1.00 0.00 H ATOM 359 HG3 ARG A 29 5.555 6.703 2.906 1.00 0.00 H ATOM 360 HD2 ARG A 29 7.756 5.986 3.723 1.00 0.00 H ATOM 361 HD3 ARG A 29 7.218 7.476 4.532 1.00 0.00 H ATOM 362 HE ARG A 29 9.636 7.129 3.030 1.00 0.00 H ATOM 363 HH12 ARG A 29 7.943 10.850 3.045 1.00 0.00 H ATOM 364 HH11 ARG A 29 6.941 9.420 3.488 1.00 0.00 H ATOM 365 HH22 ARG A 29 10.141 10.582 2.480 1.00 0.00 H ATOM 366 HH21 ARG A 29 10.882 8.940 2.475 1.00 0.00 H ATOM 367 H ARG A 29 6.779 7.232 -1.880 1.00 0.00 H ATOM 368 N ARG A 30 4.463 8.893 0.480 1.00 0.00 N ATOM 369 CA ARG A 30 4.131 10.315 0.508 1.00 0.00 C ATOM 370 C ARG A 30 3.046 10.614 1.538 1.00 0.00 C ATOM 371 O ARG A 30 2.054 9.893 1.640 1.00 0.00 O ATOM 372 CB ARG A 30 3.682 10.793 -0.876 1.00 0.00 C ATOM 373 CG ARG A 30 2.360 10.204 -1.338 1.00 0.00 C ATOM 374 CD ARG A 30 1.991 10.697 -2.729 1.00 0.00 C ATOM 375 NE ARG A 30 0.703 10.172 -3.176 1.00 0.00 N ATOM 376 CZ ARG A 30 0.123 10.517 -4.321 1.00 0.00 C ATOM 377 NH1 ARG A 30 0.707 11.393 -5.130 1.00 0.00 N ATOM 378 NH2 ARG A 30 -1.046 9.991 -4.658 1.00 0.00 N ATOM 379 HA ARG A 30 5.033 10.855 0.796 1.00 0.00 H ATOM 380 HB2 ARG A 30 3.582 11.878 -0.848 1.00 0.00 H ATOM 381 HB3 ARG A 30 4.450 10.519 -1.599 1.00 0.00 H ATOM 382 HG2 ARG A 30 2.442 9.117 -1.356 1.00 0.00 H ATOM 383 HG3 ARG A 30 1.577 10.496 -0.638 1.00 0.00 H ATOM 384 HD2 ARG A 30 2.763 10.380 -3.431 1.00 0.00 H ATOM 385 HD3 ARG A 30 1.941 11.786 -2.714 1.00 0.00 H ATOM 386 HE ARG A 30 0.212 9.490 -2.564 1.00 0.00 H ATOM 387 HH12 ARG A 30 0.249 11.660 -6.025 1.00 0.00 H ATOM 388 HH11 ARG A 30 1.622 11.812 -4.869 1.00 0.00 H ATOM 389 HH22 ARG A 30 -1.499 10.262 -5.554 1.00 0.00 H ATOM 390 HH21 ARG A 30 -1.510 9.308 -4.026 1.00 0.00 H ATOM 391 H ARG A 30 3.760 8.197 0.800 1.00 0.00 H ATOM 392 N VAL A 31 3.239 11.693 2.290 1.00 0.00 N ATOM 393 CA VAL A 31 2.273 12.106 3.301 1.00 0.00 C ATOM 394 C VAL A 31 1.507 13.340 2.842 1.00 0.00 C ATOM 395 O VAL A 31 2.062 14.224 2.190 1.00 0.00 O ATOM 396 CB VAL A 31 2.945 12.391 4.661 1.00 0.00 C ATOM 397 CG1 VAL A 31 1.986 13.104 5.604 1.00 0.00 C ATOM 398 CG2 VAL A 31 3.427 11.098 5.292 1.00 0.00 C ATOM 399 HA VAL A 31 1.579 11.276 3.434 1.00 0.00 H ATOM 400 HB VAL A 31 3.801 13.042 4.484 1.00 0.00 H ATOM 401 HG11 VAL A 31 1.678 14.051 5.160 1.00 0.00 H ATOM 402 HG12 VAL A 31 1.110 12.478 5.771 1.00 0.00 H ATOM 403 HG13 VAL A 31 2.486 13.292 6.554 1.00 0.00 H ATOM 404 HG21 VAL A 31 2.578 10.432 5.447 1.00 0.00 H ATOM 405 HG22 VAL A 31 4.150 10.620 4.631 1.00 0.00 H ATOM 406 HG23 VAL A 31 3.898 11.316 6.250 1.00 0.00 H ATOM 407 H VAL A 31 4.102 12.257 2.154 1.00 0.00 H ATOM 408 N VAL A 32 0.228 13.390 3.190 1.00 0.00 N ATOM 409 CA VAL A 32 -0.625 14.509 2.823 1.00 0.00 C ATOM 410 C VAL A 32 -1.727 14.692 3.857 1.00 0.00 C ATOM 411 O VAL A 32 -2.346 13.722 4.287 1.00 0.00 O ATOM 412 CB VAL A 32 -1.246 14.308 1.425 1.00 0.00 C ATOM 413 CG1 VAL A 32 -1.938 12.956 1.333 1.00 0.00 C ATOM 414 CG2 VAL A 32 -2.214 15.436 1.098 1.00 0.00 C ATOM 415 HA VAL A 32 -0.005 15.405 2.794 1.00 0.00 H ATOM 416 HB VAL A 32 -0.443 14.328 0.689 1.00 0.00 H ATOM 417 HG11 VAL A 32 -1.211 12.164 1.513 1.00 0.00 H ATOM 418 HG12 VAL A 32 -2.729 12.902 2.081 1.00 0.00 H ATOM 419 HG13 VAL A 32 -2.368 12.836 0.339 1.00 0.00 H ATOM 420 HG21 VAL A 32 -3.013 15.454 1.839 1.00 0.00 H ATOM 421 HG22 VAL A 32 -1.681 16.387 1.114 1.00 0.00 H ATOM 422 HG23 VAL A 32 -2.639 15.273 0.108 1.00 0.00 H ATOM 423 H VAL A 32 -0.176 12.606 3.741 1.00 0.00 H ATOM 424 N LYS A 33 -1.943 15.942 4.263 1.00 0.00 N ATOM 425 CA LYS A 33 -2.951 16.279 5.269 1.00 0.00 C ATOM 426 C LYS A 33 -2.461 15.908 6.669 1.00 0.00 C ATOM 427 O LYS A 33 -2.727 16.618 7.637 1.00 0.00 O ATOM 428 CB LYS A 33 -4.287 15.577 4.983 1.00 0.00 C ATOM 429 CG LYS A 33 -4.779 15.740 3.554 1.00 0.00 C ATOM 430 CD LYS A 33 -6.206 15.244 3.396 1.00 0.00 C ATOM 431 CE LYS A 33 -6.700 15.404 1.966 1.00 0.00 C ATOM 432 NZ LYS A 33 -6.657 16.824 1.516 1.00 0.00 N ATOM 433 HA LYS A 33 -3.113 17.356 5.220 1.00 0.00 H ATOM 434 HB2 LYS A 33 -4.165 14.513 5.184 1.00 0.00 H ATOM 435 HB3 LYS A 33 -5.041 15.988 5.654 1.00 0.00 H ATOM 436 HG2 LYS A 33 -4.739 16.795 3.283 1.00 0.00 H ATOM 437 HG3 LYS A 33 -4.130 15.170 2.889 1.00 0.00 H ATOM 438 HD2 LYS A 33 -6.246 14.189 3.668 1.00 0.00 H ATOM 439 HD3 LYS A 33 -6.855 15.815 4.061 1.00 0.00 H ATOM 440 HE2 LYS A 33 -7.728 15.047 1.906 1.00 0.00 H ATOM 441 HE3 LYS A 33 -6.070 14.806 1.307 1.00 0.00 H ATOM 442 HZ1 LYS A 33 -7.261 17.401 2.135 1.00 0.00 H ATOM 443 HZ2 LYS A 33 -5.678 17.172 1.563 1.00 0.00 H ATOM 444 HZ3 LYS A 33 -7.002 16.887 0.537 1.00 0.00 H ATOM 445 H LYS A 33 -1.374 16.708 3.849 1.00 0.00 H ATOM 446 N GLY A 34 -1.747 14.787 6.766 1.00 0.00 N ATOM 447 CA GLY A 34 -1.236 14.334 8.046 1.00 0.00 C ATOM 448 C GLY A 34 -1.242 12.823 8.148 1.00 0.00 C ATOM 449 O GLY A 34 -0.659 12.246 9.067 1.00 0.00 O ATOM 450 HA3 GLY A 34 -1.859 14.745 8.841 1.00 0.00 H ATOM 451 HA2 GLY A 34 -0.214 14.692 8.165 1.00 0.00 H ATOM 452 H GLY A 34 -1.553 14.228 5.911 1.00 0.00 H ATOM 453 N LYS A 35 -1.915 12.188 7.195 1.00 0.00 N ATOM 454 CA LYS A 35 -2.025 10.738 7.152 1.00 0.00 C ATOM 455 C LYS A 35 -0.767 10.106 6.570 1.00 0.00 C ATOM 456 O LYS A 35 0.308 10.706 6.580 1.00 0.00 O ATOM 457 CB LYS A 35 -3.251 10.353 6.320 1.00 0.00 C ATOM 458 CG LYS A 35 -3.302 11.053 4.970 1.00 0.00 C ATOM 459 CD LYS A 35 -4.616 10.803 4.245 1.00 0.00 C ATOM 460 CE LYS A 35 -4.761 9.348 3.829 1.00 0.00 C ATOM 461 NZ LYS A 35 -6.053 9.095 3.133 1.00 0.00 N ATOM 462 HA LYS A 35 -2.139 10.363 8.169 1.00 0.00 H ATOM 463 HB2 LYS A 35 -3.232 9.276 6.152 1.00 0.00 H ATOM 464 HB3 LYS A 35 -4.148 10.616 6.881 1.00 0.00 H ATOM 465 HG2 LYS A 35 -3.184 12.125 5.125 1.00 0.00 H ATOM 466 HG3 LYS A 35 -2.483 10.685 4.352 1.00 0.00 H ATOM 467 HD2 LYS A 35 -5.441 11.065 4.908 1.00 0.00 H ATOM 468 HD3 LYS A 35 -4.653 11.431 3.355 1.00 0.00 H ATOM 469 HE2 LYS A 35 -4.711 8.720 4.719 1.00 0.00 H ATOM 470 HE3 LYS A 35 -3.942 9.090 3.157 1.00 0.00 H ATOM 471 HZ1 LYS A 35 -6.841 9.332 3.770 1.00 0.00 H ATOM 472 HZ2 LYS A 35 -6.106 9.685 2.278 1.00 0.00 H ATOM 473 HZ3 LYS A 35 -6.111 8.091 2.867 1.00 0.00 H ATOM 474 H LYS A 35 -2.380 12.748 6.452 1.00 0.00 H ATOM 475 N VAL A 36 -0.917 8.889 6.061 1.00 0.00 N ATOM 476 CA VAL A 36 0.192 8.151 5.466 1.00 0.00 C ATOM 477 C VAL A 36 -0.319 7.248 4.350 1.00 0.00 C ATOM 478 O VAL A 36 -1.364 6.620 4.490 1.00 0.00 O ATOM 479 CB VAL A 36 0.925 7.276 6.507 1.00 0.00 C ATOM 480 CG1 VAL A 36 2.124 6.586 5.879 1.00 0.00 C ATOM 481 CG2 VAL A 36 1.354 8.097 7.712 1.00 0.00 C ATOM 482 HA VAL A 36 0.892 8.888 5.072 1.00 0.00 H ATOM 483 HB VAL A 36 0.227 6.513 6.851 1.00 0.00 H ATOM 484 HG11 VAL A 36 1.788 5.952 5.059 1.00 0.00 H ATOM 485 HG12 VAL A 36 2.816 7.337 5.499 1.00 0.00 H ATOM 486 HG13 VAL A 36 2.625 5.975 6.630 1.00 0.00 H ATOM 487 HG21 VAL A 36 2.028 8.890 7.388 1.00 0.00 H ATOM 488 HG22 VAL A 36 0.474 8.535 8.183 1.00 0.00 H ATOM 489 HG23 VAL A 36 1.867 7.452 8.426 1.00 0.00 H ATOM 490 H VAL A 36 -1.858 8.446 6.087 1.00 0.00 H ATOM 491 N GLU A 37 0.417 7.186 3.244 1.00 0.00 N ATOM 492 CA GLU A 37 0.015 6.351 2.116 1.00 0.00 C ATOM 493 C GLU A 37 1.221 5.896 1.298 1.00 0.00 C ATOM 494 O GLU A 37 2.072 6.701 0.917 1.00 0.00 O ATOM 495 CB GLU A 37 -0.977 7.102 1.226 1.00 0.00 C ATOM 496 CG GLU A 37 -0.429 8.398 0.656 1.00 0.00 C ATOM 497 CD GLU A 37 -1.475 9.183 -0.110 1.00 0.00 C ATOM 498 OE1 GLU A 37 -2.494 9.570 0.502 1.00 0.00 O ATOM 499 OE2 GLU A 37 -1.277 9.411 -1.322 1.00 0.00 O ATOM 500 HA GLU A 37 -0.470 5.461 2.517 1.00 0.00 H ATOM 501 HB2 GLU A 37 -1.255 6.452 0.397 1.00 0.00 H ATOM 502 HB3 GLU A 37 -1.863 7.334 1.817 1.00 0.00 H ATOM 503 HG2 GLU A 37 -0.061 9.014 1.477 1.00 0.00 H ATOM 504 HG3 GLU A 37 0.395 8.163 -0.018 1.00 0.00 H ATOM 505 H GLU A 37 1.294 7.742 3.182 1.00 0.00 H ATOM 506 N TYR A 38 1.277 4.594 1.028 1.00 0.00 N ATOM 507 CA TYR A 38 2.365 4.008 0.249 1.00 0.00 C ATOM 508 C TYR A 38 1.852 3.438 -1.065 1.00 0.00 C ATOM 509 O TYR A 38 0.893 2.665 -1.084 1.00 0.00 O ATOM 510 CB TYR A 38 3.064 2.899 1.038 1.00 0.00 C ATOM 511 CG TYR A 38 3.966 3.401 2.142 1.00 0.00 C ATOM 512 CD1 TYR A 38 3.454 4.105 3.223 1.00 0.00 C ATOM 513 CD2 TYR A 38 5.335 3.168 2.098 1.00 0.00 C ATOM 514 CE1 TYR A 38 4.281 4.561 4.232 1.00 0.00 C ATOM 515 CE2 TYR A 38 6.168 3.622 3.102 1.00 0.00 C ATOM 516 CZ TYR A 38 5.636 4.316 4.167 1.00 0.00 C ATOM 517 OH TYR A 38 6.460 4.765 5.173 1.00 0.00 O ATOM 518 HA TYR A 38 3.078 4.805 0.038 1.00 0.00 H ATOM 519 HB3 TYR A 38 3.666 2.312 0.344 1.00 0.00 H ATOM 520 HB2 TYR A 38 2.300 2.262 1.483 1.00 0.00 H ATOM 521 HD2 TYR A 38 5.759 2.618 1.258 1.00 0.00 H ATOM 522 HE2 TYR A 38 7.240 3.432 3.052 1.00 0.00 H ATOM 523 HE1 TYR A 38 3.864 5.112 5.075 1.00 0.00 H ATOM 524 HD1 TYR A 38 2.383 4.301 3.277 1.00 0.00 H ATOM 525 HH TYR A 38 5.920 5.240 5.853 1.00 0.00 H ATOM 526 H TYR A 38 0.522 3.974 1.383 1.00 0.00 H ATOM 527 N LEU A 39 2.509 3.804 -2.158 1.00 0.00 N ATOM 528 CA LEU A 39 2.131 3.303 -3.468 1.00 0.00 C ATOM 529 C LEU A 39 2.302 1.791 -3.488 1.00 0.00 C ATOM 530 O LEU A 39 3.250 1.270 -2.905 1.00 0.00 O ATOM 531 CB LEU A 39 2.981 3.974 -4.552 1.00 0.00 C ATOM 532 CG LEU A 39 2.601 3.631 -5.994 1.00 0.00 C ATOM 533 CD1 LEU A 39 1.097 3.638 -6.170 1.00 0.00 C ATOM 534 CD2 LEU A 39 3.245 4.617 -6.954 1.00 0.00 C ATOM 535 HA LEU A 39 1.087 3.540 -3.672 1.00 0.00 H ATOM 536 HB2 LEU A 39 2.892 5.053 -4.429 1.00 0.00 H ATOM 537 HB3 LEU A 39 4.018 3.676 -4.398 1.00 0.00 H ATOM 538 HG LEU A 39 2.968 2.629 -6.216 1.00 0.00 H ATOM 539 HD21 LEU A 39 2.900 5.625 -6.723 1.00 0.00 H ATOM 540 HD22 LEU A 39 4.329 4.570 -6.849 1.00 0.00 H ATOM 541 HD23 LEU A 39 2.966 4.361 -7.976 1.00 0.00 H ATOM 542 HD11 LEU A 39 0.651 2.900 -5.503 1.00 0.00 H ATOM 543 HD12 LEU A 39 0.709 4.628 -5.930 1.00 0.00 H ATOM 544 HD13 LEU A 39 0.852 3.391 -7.203 1.00 0.00 H ATOM 545 H LEU A 39 3.310 4.462 -2.075 1.00 0.00 H ATOM 546 N LEU A 40 1.369 1.077 -4.113 1.00 0.00 N ATOM 547 CA LEU A 40 1.442 -0.381 -4.131 1.00 0.00 C ATOM 548 C LEU A 40 0.961 -0.983 -5.443 1.00 0.00 C ATOM 549 O LEU A 40 -0.125 -0.668 -5.928 1.00 0.00 O ATOM 550 CB LEU A 40 0.617 -0.942 -2.971 1.00 0.00 C ATOM 551 CG LEU A 40 1.154 -0.585 -1.587 1.00 0.00 C ATOM 552 CD1 LEU A 40 0.191 -0.992 -0.494 1.00 0.00 C ATOM 553 CD2 LEU A 40 2.488 -1.253 -1.363 1.00 0.00 C ATOM 554 HA LEU A 40 2.492 -0.655 -4.025 1.00 0.00 H ATOM 555 HB2 LEU A 40 -0.398 -0.553 -3.054 1.00 0.00 H ATOM 556 HB3 LEU A 40 0.597 -2.028 -3.060 1.00 0.00 H ATOM 557 HG LEU A 40 1.273 0.498 -1.547 1.00 0.00 H ATOM 558 HD21 LEU A 40 2.368 -2.334 -1.434 1.00 0.00 H ATOM 559 HD22 LEU A 40 3.194 -0.914 -2.121 1.00 0.00 H ATOM 560 HD23 LEU A 40 2.862 -0.992 -0.373 1.00 0.00 H ATOM 561 HD11 LEU A 40 -0.759 -0.477 -0.638 1.00 0.00 H ATOM 562 HD12 LEU A 40 0.032 -2.070 -0.534 1.00 0.00 H ATOM 563 HD13 LEU A 40 0.609 -0.721 0.476 1.00 0.00 H ATOM 564 H LEU A 40 0.583 1.561 -4.592 1.00 0.00 H ATOM 565 N LYS A 41 1.777 -1.881 -5.996 1.00 0.00 N ATOM 566 CA LYS A 41 1.435 -2.564 -7.236 1.00 0.00 C ATOM 567 C LYS A 41 0.541 -3.758 -6.922 1.00 0.00 C ATOM 568 O LYS A 41 0.908 -4.618 -6.121 1.00 0.00 O ATOM 569 CB LYS A 41 2.704 -3.027 -7.956 1.00 0.00 C ATOM 570 CG LYS A 41 2.456 -3.548 -9.364 1.00 0.00 C ATOM 571 CD LYS A 41 1.947 -2.449 -10.287 1.00 0.00 C ATOM 572 CE LYS A 41 2.960 -1.322 -10.429 1.00 0.00 C ATOM 573 NZ LYS A 41 2.458 -0.228 -11.307 1.00 0.00 N ATOM 574 HA LYS A 41 0.902 -1.875 -7.891 1.00 0.00 H ATOM 575 HB2 LYS A 41 3.392 -2.184 -8.018 1.00 0.00 H ATOM 576 HB3 LYS A 41 3.161 -3.824 -7.370 1.00 0.00 H ATOM 577 HG2 LYS A 41 3.390 -3.943 -9.765 1.00 0.00 H ATOM 578 HG3 LYS A 41 1.714 -4.346 -9.321 1.00 0.00 H ATOM 579 HD2 LYS A 41 1.752 -2.875 -11.271 1.00 0.00 H ATOM 580 HD3 LYS A 41 1.022 -2.044 -9.878 1.00 0.00 H ATOM 581 HE2 LYS A 41 3.877 -1.725 -10.858 1.00 0.00 H ATOM 582 HE3 LYS A 41 3.172 -0.912 -9.441 1.00 0.00 H ATOM 583 HZ1 LYS A 41 2.260 -0.609 -12.254 1.00 0.00 H ATOM 584 HZ2 LYS A 41 1.586 0.168 -10.902 1.00 0.00 H ATOM 585 HZ3 LYS A 41 3.179 0.518 -11.376 1.00 0.00 H ATOM 586 H LYS A 41 2.681 -2.099 -5.530 1.00 0.00 H ATOM 587 N TRP A 42 -0.637 -3.797 -7.530 1.00 0.00 N ATOM 588 CA TRP A 42 -1.578 -4.882 -7.278 1.00 0.00 C ATOM 589 C TRP A 42 -1.554 -5.916 -8.400 1.00 0.00 C ATOM 590 O TRP A 42 -1.603 -5.574 -9.580 1.00 0.00 O ATOM 591 CB TRP A 42 -2.984 -4.309 -7.093 1.00 0.00 C ATOM 592 CG TRP A 42 -2.989 -3.096 -6.213 1.00 0.00 C ATOM 593 CD1 TRP A 42 -3.001 -1.793 -6.618 1.00 0.00 C ATOM 594 CD2 TRP A 42 -2.934 -3.072 -4.781 1.00 0.00 C ATOM 595 NE1 TRP A 42 -2.975 -0.960 -5.526 1.00 0.00 N ATOM 596 CE2 TRP A 42 -2.932 -1.721 -4.387 1.00 0.00 C ATOM 597 CE3 TRP A 42 -2.894 -4.062 -3.795 1.00 0.00 C ATOM 598 CZ2 TRP A 42 -2.887 -1.335 -3.049 1.00 0.00 C ATOM 599 CZ3 TRP A 42 -2.849 -3.676 -2.468 1.00 0.00 C ATOM 600 CH2 TRP A 42 -2.847 -2.324 -2.105 1.00 0.00 C ATOM 601 HA TRP A 42 -1.278 -5.394 -6.364 1.00 0.00 H ATOM 602 HB2 TRP A 42 -3.384 -4.036 -8.070 1.00 0.00 H ATOM 603 HB3 TRP A 42 -3.618 -5.073 -6.643 1.00 0.00 H ATOM 604 HE1 TRP A 42 -2.986 0.079 -5.558 1.00 0.00 H ATOM 605 HD1 TRP A 42 -3.027 -1.462 -7.656 1.00 0.00 H ATOM 606 HZ2 TRP A 42 -2.884 -0.283 -2.765 1.00 0.00 H ATOM 607 HH2 TRP A 42 -2.813 -2.054 -1.049 1.00 0.00 H ATOM 608 HZ3 TRP A 42 -2.814 -4.439 -1.690 1.00 0.00 H ATOM 609 HE3 TRP A 42 -2.898 -5.118 -4.067 1.00 0.00 H ATOM 610 H TRP A 42 -0.894 -3.042 -8.197 1.00 0.00 H ATOM 611 N LYS A 43 -1.465 -7.185 -8.011 1.00 0.00 N ATOM 612 CA LYS A 43 -1.420 -8.288 -8.965 1.00 0.00 C ATOM 613 C LYS A 43 -2.733 -8.419 -9.732 1.00 0.00 C ATOM 614 O LYS A 43 -3.811 -8.185 -9.185 1.00 0.00 O ATOM 615 CB LYS A 43 -1.109 -9.599 -8.241 1.00 0.00 C ATOM 616 CG LYS A 43 -1.020 -10.803 -9.166 1.00 0.00 C ATOM 617 CD LYS A 43 -0.745 -12.092 -8.401 1.00 0.00 C ATOM 618 CE LYS A 43 0.660 -12.124 -7.814 1.00 0.00 C ATOM 619 NZ LYS A 43 0.848 -11.117 -6.732 1.00 0.00 N ATOM 620 HA LYS A 43 -0.629 -8.073 -9.683 1.00 0.00 H ATOM 621 HB2 LYS A 43 -0.155 -9.490 -7.726 1.00 0.00 H ATOM 622 HB3 LYS A 43 -1.896 -9.784 -7.510 1.00 0.00 H ATOM 623 HG2 LYS A 43 -1.964 -10.906 -9.702 1.00 0.00 H ATOM 624 HG3 LYS A 43 -0.214 -10.639 -9.881 1.00 0.00 H ATOM 625 HD2 LYS A 43 -1.467 -12.180 -7.589 1.00 0.00 H ATOM 626 HD3 LYS A 43 -0.861 -12.936 -9.081 1.00 0.00 H ATOM 627 HE2 LYS A 43 1.377 -11.921 -8.610 1.00 0.00 H ATOM 628 HE3 LYS A 43 0.846 -13.117 -7.404 1.00 0.00 H ATOM 629 HZ1 LYS A 43 0.681 -10.164 -7.114 1.00 0.00 H ATOM 630 HZ2 LYS A 43 0.174 -11.306 -5.963 1.00 0.00 H ATOM 631 HZ3 LYS A 43 1.820 -11.180 -6.367 1.00 0.00 H ATOM 632 H LYS A 43 -1.426 -7.398 -6.994 1.00 0.00 H ATOM 633 N GLY A 44 -2.627 -8.804 -11.000 1.00 0.00 N ATOM 634 CA GLY A 44 -3.802 -8.970 -11.834 1.00 0.00 C ATOM 635 C GLY A 44 -4.324 -7.656 -12.381 1.00 0.00 C ATOM 636 O GLY A 44 -4.576 -7.535 -13.579 1.00 0.00 O ATOM 637 HA3 GLY A 44 -4.588 -9.437 -11.240 1.00 0.00 H ATOM 638 HA2 GLY A 44 -3.546 -9.619 -12.671 1.00 0.00 H ATOM 639 H GLY A 44 -1.685 -8.989 -11.401 1.00 0.00 H ATOM 640 N PHE A 45 -4.484 -6.672 -11.504 1.00 0.00 N ATOM 641 CA PHE A 45 -4.977 -5.363 -11.912 1.00 0.00 C ATOM 642 C PHE A 45 -3.900 -4.587 -12.662 1.00 0.00 C ATOM 643 O PHE A 45 -2.726 -4.618 -12.291 1.00 0.00 O ATOM 644 CB PHE A 45 -5.461 -4.562 -10.700 1.00 0.00 C ATOM 645 CG PHE A 45 -6.620 -5.198 -9.982 1.00 0.00 C ATOM 646 CD1 PHE A 45 -6.471 -6.410 -9.327 1.00 0.00 C ATOM 647 CD2 PHE A 45 -7.863 -4.586 -9.972 1.00 0.00 C ATOM 648 CE1 PHE A 45 -7.538 -6.999 -8.674 1.00 0.00 C ATOM 649 CE2 PHE A 45 -8.934 -5.169 -9.320 1.00 0.00 C ATOM 650 CZ PHE A 45 -8.770 -6.377 -8.671 1.00 0.00 C ATOM 651 HA PHE A 45 -5.821 -5.518 -12.584 1.00 0.00 H ATOM 652 HB2 PHE A 45 -4.633 -4.464 -9.998 1.00 0.00 H ATOM 653 HB3 PHE A 45 -5.767 -3.573 -11.040 1.00 0.00 H ATOM 654 HD2 PHE A 45 -7.998 -3.633 -10.484 1.00 0.00 H ATOM 655 HE2 PHE A 45 -9.906 -4.676 -9.318 1.00 0.00 H ATOM 656 HZ PHE A 45 -9.613 -6.839 -8.157 1.00 0.00 H ATOM 657 HE1 PHE A 45 -7.406 -7.953 -8.163 1.00 0.00 H ATOM 658 HD1 PHE A 45 -5.500 -6.905 -9.327 1.00 0.00 H ATOM 659 H PHE A 45 -4.252 -6.839 -10.504 1.00 0.00 H ATOM 660 N SER A 46 -4.311 -3.895 -13.720 1.00 0.00 N ATOM 661 CA SER A 46 -3.389 -3.110 -14.532 1.00 0.00 C ATOM 662 C SER A 46 -2.605 -2.123 -13.673 1.00 0.00 C ATOM 663 O SER A 46 -3.132 -1.572 -12.708 1.00 0.00 O ATOM 664 CB SER A 46 -4.153 -2.357 -15.623 1.00 0.00 C ATOM 665 OG SER A 46 -5.107 -1.474 -15.060 1.00 0.00 O ATOM 666 HA SER A 46 -2.682 -3.797 -14.998 1.00 0.00 H ATOM 667 HB2 SER A 46 -4.666 -3.077 -16.260 1.00 0.00 H ATOM 668 HB3 SER A 46 -3.446 -1.783 -16.222 1.00 0.00 H ATOM 669 HG SER A 46 -4.645 -0.815 -14.483 1.00 0.00 H ATOM 670 H SER A 46 -5.319 -3.914 -13.976 1.00 0.00 H ATOM 671 N ASP A 47 -1.343 -1.910 -14.033 1.00 0.00 N ATOM 672 CA ASP A 47 -0.479 -0.991 -13.300 1.00 0.00 C ATOM 673 C ASP A 47 -1.106 0.398 -13.204 1.00 0.00 C ATOM 674 O ASP A 47 -0.893 1.119 -12.230 1.00 0.00 O ATOM 675 CB ASP A 47 0.898 -0.904 -13.964 1.00 0.00 C ATOM 676 CG ASP A 47 0.828 -0.514 -15.431 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.294 -0.355 -15.956 1.00 0.00 O ATOM 678 OD2 ASP A 47 1.899 -0.373 -16.057 1.00 0.00 O ATOM 679 HA ASP A 47 -0.359 -1.381 -12.289 1.00 0.00 H ATOM 680 HB2 ASP A 47 1.492 -0.159 -13.435 1.00 0.00 H ATOM 681 HB3 ASP A 47 1.383 -1.877 -13.886 1.00 0.00 H ATOM 682 H ASP A 47 -0.961 -2.412 -14.860 1.00 0.00 H ATOM 683 N GLU A 48 -1.878 0.768 -14.221 1.00 0.00 N ATOM 684 CA GLU A 48 -2.533 2.067 -14.254 1.00 0.00 C ATOM 685 C GLU A 48 -3.442 2.258 -13.042 1.00 0.00 C ATOM 686 O GLU A 48 -3.653 3.382 -12.586 1.00 0.00 O ATOM 687 CB GLU A 48 -3.341 2.210 -15.544 1.00 0.00 C ATOM 688 CG GLU A 48 -2.499 2.099 -16.805 1.00 0.00 C ATOM 689 CD GLU A 48 -3.319 2.262 -18.071 1.00 0.00 C ATOM 690 OE1 GLU A 48 -3.937 3.333 -18.244 1.00 0.00 O ATOM 691 OE2 GLU A 48 -3.341 1.319 -18.889 1.00 0.00 O ATOM 692 HA GLU A 48 -1.763 2.838 -14.223 1.00 0.00 H ATOM 693 HB2 GLU A 48 -4.099 1.427 -15.565 1.00 0.00 H ATOM 694 HB3 GLU A 48 -3.828 3.185 -15.539 1.00 0.00 H ATOM 695 HG2 GLU A 48 -1.733 2.874 -16.783 1.00 0.00 H ATOM 696 HG3 GLU A 48 -2.022 1.119 -16.821 1.00 0.00 H ATOM 697 H GLU A 48 -2.018 0.111 -15.015 1.00 0.00 H ATOM 698 N ASP A 49 -3.988 1.155 -12.538 1.00 0.00 N ATOM 699 CA ASP A 49 -4.886 1.196 -11.385 1.00 0.00 C ATOM 700 C ASP A 49 -4.117 1.396 -10.074 1.00 0.00 C ATOM 701 O ASP A 49 -4.426 0.769 -9.061 1.00 0.00 O ATOM 702 CB ASP A 49 -5.711 -0.094 -11.320 1.00 0.00 C ATOM 703 CG ASP A 49 -6.802 -0.033 -10.269 1.00 0.00 C ATOM 704 OD1 ASP A 49 -7.674 0.855 -10.369 1.00 0.00 O ATOM 705 OD2 ASP A 49 -6.786 -0.875 -9.347 1.00 0.00 O ATOM 706 HA ASP A 49 -5.553 2.049 -11.511 1.00 0.00 H ATOM 707 HB2 ASP A 49 -6.172 -0.264 -12.293 1.00 0.00 H ATOM 708 HB3 ASP A 49 -5.045 -0.924 -11.085 1.00 0.00 H ATOM 709 H ASP A 49 -3.770 0.237 -12.976 1.00 0.00 H ATOM 710 N ASN A 50 -3.120 2.277 -10.096 1.00 0.00 N ATOM 711 CA ASN A 50 -2.323 2.562 -8.905 1.00 0.00 C ATOM 712 C ASN A 50 -3.134 3.333 -7.870 1.00 0.00 C ATOM 713 O ASN A 50 -3.941 4.197 -8.216 1.00 0.00 O ATOM 714 CB ASN A 50 -1.068 3.360 -9.272 1.00 0.00 C ATOM 715 CG ASN A 50 0.036 2.496 -9.859 1.00 0.00 C ATOM 716 OD1 ASN A 50 1.011 3.009 -10.407 1.00 0.00 O ATOM 717 ND2 ASN A 50 -0.094 1.181 -9.721 1.00 0.00 N ATOM 718 HA ASN A 50 -2.026 1.606 -8.473 1.00 0.00 H ATOM 719 HB2 ASN A 50 -1.341 4.120 -10.004 1.00 0.00 H ATOM 720 HB3 ASN A 50 -0.689 3.844 -8.372 1.00 0.00 H ATOM 721 HD22 ASN A 50 -0.934 0.788 -9.251 1.00 0.00 H ATOM 722 HD21 ASN A 50 0.645 0.545 -10.083 1.00 0.00 H ATOM 723 H ASN A 50 -2.903 2.775 -10.983 1.00 0.00 H ATOM 724 N THR A 51 -2.906 3.024 -6.599 1.00 0.00 N ATOM 725 CA THR A 51 -3.604 3.696 -5.511 1.00 0.00 C ATOM 726 C THR A 51 -2.825 3.571 -4.206 1.00 0.00 C ATOM 727 O THR A 51 -2.547 2.469 -3.732 1.00 0.00 O ATOM 728 CB THR A 51 -5.030 3.140 -5.315 1.00 0.00 C ATOM 729 OG1 THR A 51 -5.666 3.801 -4.215 1.00 0.00 O ATOM 730 CG2 THR A 51 -5.008 1.638 -5.065 1.00 0.00 C ATOM 731 HA THR A 51 -3.681 4.748 -5.786 1.00 0.00 H ATOM 732 HB THR A 51 -5.592 3.327 -6.230 1.00 0.00 H ATOM 733 HG1 THR A 51 -6.579 3.438 -4.097 1.00 0.00 H ATOM 734 HG23 THR A 51 -4.523 1.138 -5.904 1.00 0.00 H ATOM 735 HG21 THR A 51 -4.455 1.432 -4.149 1.00 0.00 H ATOM 736 HG22 THR A 51 -6.030 1.273 -4.964 1.00 0.00 H ATOM 737 H THR A 51 -2.211 2.283 -6.374 1.00 0.00 H ATOM 738 N TRP A 52 -2.470 4.716 -3.637 1.00 0.00 N ATOM 739 CA TRP A 52 -1.717 4.760 -2.395 1.00 0.00 C ATOM 740 C TRP A 52 -2.629 4.474 -1.208 1.00 0.00 C ATOM 741 O TRP A 52 -3.517 5.266 -0.891 1.00 0.00 O ATOM 742 CB TRP A 52 -1.058 6.128 -2.249 1.00 0.00 C ATOM 743 CG TRP A 52 -0.204 6.497 -3.428 1.00 0.00 C ATOM 744 CD1 TRP A 52 -0.589 6.579 -4.738 1.00 0.00 C ATOM 745 CD2 TRP A 52 1.186 6.817 -3.402 1.00 0.00 C ATOM 746 NE1 TRP A 52 0.481 6.931 -5.523 1.00 0.00 N ATOM 747 CE2 TRP A 52 1.581 7.088 -4.725 1.00 0.00 C ATOM 748 CE3 TRP A 52 2.133 6.903 -2.386 1.00 0.00 C ATOM 749 CZ2 TRP A 52 2.887 7.441 -5.052 1.00 0.00 C ATOM 750 CZ3 TRP A 52 3.425 7.250 -2.710 1.00 0.00 C ATOM 751 CH2 TRP A 52 3.794 7.516 -4.033 1.00 0.00 C ATOM 752 HA TRP A 52 -0.943 3.993 -2.417 1.00 0.00 H ATOM 753 HB2 TRP A 52 -1.839 6.880 -2.137 1.00 0.00 H ATOM 754 HB3 TRP A 52 -0.433 6.119 -1.356 1.00 0.00 H ATOM 755 HE1 TRP A 52 0.459 7.058 -6.555 1.00 0.00 H ATOM 756 HD1 TRP A 52 -1.598 6.392 -5.105 1.00 0.00 H ATOM 757 HZ2 TRP A 52 3.175 7.650 -6.082 1.00 0.00 H ATOM 758 HH2 TRP A 52 4.826 7.789 -4.255 1.00 0.00 H ATOM 759 HZ3 TRP A 52 4.174 7.319 -1.921 1.00 0.00 H ATOM 760 HE3 TRP A 52 1.856 6.699 -1.352 1.00 0.00 H ATOM 761 H TRP A 52 -2.739 5.610 -4.094 1.00 0.00 H ATOM 762 N GLU A 53 -2.415 3.334 -0.561 1.00 0.00 N ATOM 763 CA GLU A 53 -3.229 2.939 0.582 1.00 0.00 C ATOM 764 C GLU A 53 -2.573 3.340 1.900 1.00 0.00 C ATOM 765 O GLU A 53 -1.348 3.325 2.022 1.00 0.00 O ATOM 766 CB GLU A 53 -3.474 1.430 0.562 1.00 0.00 C ATOM 767 CG GLU A 53 -4.080 0.928 -0.739 1.00 0.00 C ATOM 768 CD GLU A 53 -5.427 1.557 -1.050 1.00 0.00 C ATOM 769 OE1 GLU A 53 -5.944 2.319 -0.204 1.00 0.00 O ATOM 770 OE2 GLU A 53 -5.972 1.278 -2.138 1.00 0.00 O ATOM 771 HA GLU A 53 -4.183 3.461 0.505 1.00 0.00 H ATOM 772 HB2 GLU A 53 -2.521 0.924 0.716 1.00 0.00 H ATOM 773 HB3 GLU A 53 -4.153 1.180 1.377 1.00 0.00 H ATOM 774 HG2 GLU A 53 -3.393 1.158 -1.554 1.00 0.00 H ATOM 775 HG3 GLU A 53 -4.209 -0.152 -0.668 1.00 0.00 H ATOM 776 H GLU A 53 -1.648 2.708 -0.878 1.00 0.00 H ATOM 777 N PRO A 54 -3.385 3.698 2.912 1.00 0.00 N ATOM 778 CA PRO A 54 -2.875 4.094 4.226 1.00 0.00 C ATOM 779 C PRO A 54 -2.008 3.006 4.850 1.00 0.00 C ATOM 780 O PRO A 54 -2.358 1.826 4.819 1.00 0.00 O ATOM 781 CB PRO A 54 -4.139 4.327 5.065 1.00 0.00 C ATOM 782 CG PRO A 54 -5.246 3.677 4.306 1.00 0.00 C ATOM 783 CD PRO A 54 -4.855 3.737 2.860 1.00 0.00 C ATOM 784 HA PRO A 54 -2.236 4.975 4.164 1.00 0.00 H ATOM 785 HD3 PRO A 54 -5.251 2.882 2.311 1.00 0.00 H ATOM 786 HD2 PRO A 54 -5.207 4.659 2.397 1.00 0.00 H ATOM 787 HG3 PRO A 54 -6.181 4.214 4.467 1.00 0.00 H ATOM 788 HG2 PRO A 54 -5.364 2.641 4.623 1.00 0.00 H ATOM 789 HB2 PRO A 54 -4.033 3.871 6.049 1.00 0.00 H ATOM 790 HB3 PRO A 54 -4.330 5.394 5.179 1.00 0.00 H ATOM 791 N GLU A 55 -0.870 3.413 5.402 1.00 0.00 N ATOM 792 CA GLU A 55 0.064 2.480 6.023 1.00 0.00 C ATOM 793 C GLU A 55 -0.620 1.627 7.088 1.00 0.00 C ATOM 794 O GLU A 55 -0.383 0.422 7.173 1.00 0.00 O ATOM 795 CB GLU A 55 1.240 3.245 6.637 1.00 0.00 C ATOM 796 CG GLU A 55 2.267 2.351 7.312 1.00 0.00 C ATOM 797 CD GLU A 55 3.394 3.137 7.952 1.00 0.00 C ATOM 798 OE1 GLU A 55 4.093 3.873 7.226 1.00 0.00 O ATOM 799 OE2 GLU A 55 3.576 3.017 9.183 1.00 0.00 O ATOM 800 HA GLU A 55 0.434 1.810 5.246 1.00 0.00 H ATOM 801 HB2 GLU A 55 1.738 3.804 5.845 1.00 0.00 H ATOM 802 HB3 GLU A 55 0.848 3.940 7.379 1.00 0.00 H ATOM 803 HG2 GLU A 55 1.767 1.766 8.084 1.00 0.00 H ATOM 804 HG3 GLU A 55 2.690 1.679 6.565 1.00 0.00 H ATOM 805 H GLU A 55 -0.638 4.427 5.391 1.00 0.00 H ATOM 806 N GLU A 56 -1.465 2.256 7.901 1.00 0.00 N ATOM 807 CA GLU A 56 -2.176 1.545 8.960 1.00 0.00 C ATOM 808 C GLU A 56 -2.953 0.360 8.392 1.00 0.00 C ATOM 809 O GLU A 56 -2.939 -0.733 8.959 1.00 0.00 O ATOM 810 CB GLU A 56 -3.123 2.494 9.698 1.00 0.00 C ATOM 811 CG GLU A 56 -4.147 3.165 8.796 1.00 0.00 C ATOM 812 CD GLU A 56 -5.066 4.102 9.555 1.00 0.00 C ATOM 813 OE1 GLU A 56 -4.558 5.066 10.165 1.00 0.00 O ATOM 814 OE2 GLU A 56 -6.293 3.871 9.539 1.00 0.00 O ATOM 815 HA GLU A 56 -1.439 1.165 9.667 1.00 0.00 H ATOM 816 HB2 GLU A 56 -3.656 1.924 10.459 1.00 0.00 H ATOM 817 HB3 GLU A 56 -2.527 3.270 10.178 1.00 0.00 H ATOM 818 HG2 GLU A 56 -3.619 3.736 8.032 1.00 0.00 H ATOM 819 HG3 GLU A 56 -4.751 2.394 8.319 1.00 0.00 H ATOM 820 H GLU A 56 -1.623 3.277 7.780 1.00 0.00 H ATOM 821 N ASN A 57 -3.620 0.584 7.265 1.00 0.00 N ATOM 822 CA ASN A 57 -4.396 -0.463 6.609 1.00 0.00 C ATOM 823 C ASN A 57 -3.488 -1.571 6.090 1.00 0.00 C ATOM 824 O ASN A 57 -3.845 -2.750 6.132 1.00 0.00 O ATOM 825 CB ASN A 57 -5.207 0.124 5.451 1.00 0.00 C ATOM 826 CG ASN A 57 -6.300 1.063 5.920 1.00 0.00 C ATOM 827 OD1 ASN A 57 -6.047 1.998 6.679 1.00 0.00 O ATOM 828 ND2 ASN A 57 -7.522 0.826 5.458 1.00 0.00 N ATOM 829 HA ASN A 57 -5.077 -0.889 7.346 1.00 0.00 H ATOM 830 HB2 ASN A 57 -4.532 0.674 4.795 1.00 0.00 H ATOM 831 HB3 ASN A 57 -5.665 -0.694 4.895 1.00 0.00 H ATOM 832 HD22 ASN A 57 -7.689 0.023 4.818 1.00 0.00 H ATOM 833 HD21 ASN A 57 -8.312 1.443 5.736 1.00 0.00 H ATOM 834 H ASN A 57 -3.588 1.532 6.839 1.00 0.00 H ATOM 835 N LEU A 58 -2.319 -1.185 5.585 1.00 0.00 N ATOM 836 CA LEU A 58 -1.366 -2.146 5.040 1.00 0.00 C ATOM 837 C LEU A 58 -0.980 -3.193 6.079 1.00 0.00 C ATOM 838 O LEU A 58 -0.587 -2.859 7.197 1.00 0.00 O ATOM 839 CB LEU A 58 -0.106 -1.430 4.544 1.00 0.00 C ATOM 840 CG LEU A 58 -0.350 -0.173 3.706 1.00 0.00 C ATOM 841 CD1 LEU A 58 0.956 0.337 3.118 1.00 0.00 C ATOM 842 CD2 LEU A 58 -1.357 -0.440 2.600 1.00 0.00 C ATOM 843 HA LEU A 58 -1.850 -2.649 4.203 1.00 0.00 H ATOM 844 HB2 LEU A 58 0.483 -1.144 5.415 1.00 0.00 H ATOM 845 HB3 LEU A 58 0.464 -2.134 3.937 1.00 0.00 H ATOM 846 HG LEU A 58 -0.762 0.593 4.363 1.00 0.00 H ATOM 847 HD21 LEU A 58 -0.978 -1.227 1.948 1.00 0.00 H ATOM 848 HD22 LEU A 58 -2.303 -0.755 3.040 1.00 0.00 H ATOM 849 HD23 LEU A 58 -1.510 0.471 2.022 1.00 0.00 H ATOM 850 HD11 LEU A 58 1.647 0.578 3.926 1.00 0.00 H ATOM 851 HD12 LEU A 58 1.392 -0.434 2.483 1.00 0.00 H ATOM 852 HD13 LEU A 58 0.762 1.231 2.526 1.00 0.00 H ATOM 853 H LEU A 58 -2.079 -0.173 5.579 1.00 0.00 H ATOM 854 N ASP A 59 -1.083 -4.459 5.692 1.00 0.00 N ATOM 855 CA ASP A 59 -0.734 -5.565 6.576 1.00 0.00 C ATOM 856 C ASP A 59 0.529 -6.254 6.066 1.00 0.00 C ATOM 857 O ASP A 59 0.570 -7.475 5.913 1.00 0.00 O ATOM 858 CB ASP A 59 -1.891 -6.567 6.657 1.00 0.00 C ATOM 859 CG ASP A 59 -1.660 -7.649 7.696 1.00 0.00 C ATOM 860 OD1 ASP A 59 -0.607 -7.617 8.368 1.00 0.00 O ATOM 861 OD2 ASP A 59 -2.535 -8.529 7.839 1.00 0.00 O ATOM 862 HA ASP A 59 -0.546 -5.174 7.576 1.00 0.00 H ATOM 863 HB2 ASP A 59 -2.803 -6.027 6.913 1.00 0.00 H ATOM 864 HB3 ASP A 59 -2.012 -7.040 5.682 1.00 0.00 H ATOM 865 H ASP A 59 -1.422 -4.668 4.731 1.00 0.00 H ATOM 866 N CYS A 60 1.554 -5.454 5.791 1.00 0.00 N ATOM 867 CA CYS A 60 2.818 -5.975 5.281 1.00 0.00 C ATOM 868 C CYS A 60 3.984 -5.067 5.674 1.00 0.00 C ATOM 869 O CYS A 60 4.661 -4.504 4.814 1.00 0.00 O ATOM 870 CB CYS A 60 2.752 -6.113 3.758 1.00 0.00 C ATOM 871 SG CYS A 60 2.381 -4.572 2.889 1.00 0.00 S ATOM 872 HA CYS A 60 2.986 -6.957 5.724 1.00 0.00 H ATOM 873 HB2 CYS A 60 1.976 -6.839 3.514 1.00 0.00 H ATOM 874 HB3 CYS A 60 3.716 -6.481 3.406 1.00 0.00 H ATOM 875 HG CYS A 60 3.360 -3.640 3.170 1.00 0.00 H ATOM 876 H CYS A 60 1.453 -4.430 5.943 1.00 0.00 H ATOM 877 N PRO A 61 4.236 -4.914 6.989 1.00 0.00 N ATOM 878 CA PRO A 61 5.328 -4.074 7.492 1.00 0.00 C ATOM 879 C PRO A 61 6.676 -4.468 6.899 1.00 0.00 C ATOM 880 O PRO A 61 7.542 -3.621 6.686 1.00 0.00 O ATOM 881 CB PRO A 61 5.315 -4.311 9.009 1.00 0.00 C ATOM 882 CG PRO A 61 4.478 -5.529 9.216 1.00 0.00 C ATOM 883 CD PRO A 61 3.491 -5.550 8.086 1.00 0.00 C ATOM 884 HA PRO A 61 5.189 -3.028 7.220 1.00 0.00 H ATOM 885 HD3 PRO A 61 3.210 -6.571 7.829 1.00 0.00 H ATOM 886 HD2 PRO A 61 2.596 -4.980 8.335 1.00 0.00 H ATOM 887 HG3 PRO A 61 3.958 -5.473 10.172 1.00 0.00 H ATOM 888 HG2 PRO A 61 5.099 -6.424 9.193 1.00 0.00 H ATOM 889 HB2 PRO A 61 6.327 -4.477 9.377 1.00 0.00 H ATOM 890 HB3 PRO A 61 4.878 -3.456 9.525 1.00 0.00 H ATOM 891 N ASP A 62 6.845 -5.760 6.635 1.00 0.00 N ATOM 892 CA ASP A 62 8.089 -6.269 6.065 1.00 0.00 C ATOM 893 C ASP A 62 8.405 -5.577 4.742 1.00 0.00 C ATOM 894 O ASP A 62 9.545 -5.181 4.498 1.00 0.00 O ATOM 895 CB ASP A 62 8.000 -7.781 5.855 1.00 0.00 C ATOM 896 CG ASP A 62 9.265 -8.353 5.242 1.00 0.00 C ATOM 897 OD1 ASP A 62 10.342 -8.203 5.855 1.00 0.00 O ATOM 898 OD2 ASP A 62 9.176 -8.953 4.150 1.00 0.00 O ATOM 899 HA ASP A 62 8.894 -6.055 6.768 1.00 0.00 H ATOM 900 HB2 ASP A 62 7.830 -8.260 6.819 1.00 0.00 H ATOM 901 HB3 ASP A 62 7.161 -7.994 5.192 1.00 0.00 H ATOM 902 H ASP A 62 6.072 -6.425 6.840 1.00 0.00 H ATOM 903 N LEU A 63 7.391 -5.430 3.892 1.00 0.00 N ATOM 904 CA LEU A 63 7.575 -4.779 2.600 1.00 0.00 C ATOM 905 C LEU A 63 7.973 -3.323 2.789 1.00 0.00 C ATOM 906 O LEU A 63 8.863 -2.820 2.104 1.00 0.00 O ATOM 907 CB LEU A 63 6.299 -4.858 1.762 1.00 0.00 C ATOM 908 CG LEU A 63 5.773 -6.269 1.491 1.00 0.00 C ATOM 909 CD1 LEU A 63 4.594 -6.208 0.537 1.00 0.00 C ATOM 910 CD2 LEU A 63 6.868 -7.162 0.925 1.00 0.00 C ATOM 911 HA LEU A 63 8.373 -5.303 2.073 1.00 0.00 H ATOM 912 HB2 LEU A 63 5.519 -4.304 2.284 1.00 0.00 H ATOM 913 HB3 LEU A 63 6.498 -4.384 0.801 1.00 0.00 H ATOM 914 HG LEU A 63 5.444 -6.700 2.436 1.00 0.00 H ATOM 915 HD21 LEU A 63 7.232 -6.739 -0.011 1.00 0.00 H ATOM 916 HD22 LEU A 63 7.688 -7.226 1.640 1.00 0.00 H ATOM 917 HD23 LEU A 63 6.465 -8.158 0.743 1.00 0.00 H ATOM 918 HD11 LEU A 63 3.800 -5.607 0.981 1.00 0.00 H ATOM 919 HD12 LEU A 63 4.912 -5.756 -0.403 1.00 0.00 H ATOM 920 HD13 LEU A 63 4.227 -7.217 0.350 1.00 0.00 H ATOM 921 H LEU A 63 6.450 -5.786 4.154 1.00 0.00 H ATOM 922 N ILE A 64 7.309 -2.651 3.726 1.00 0.00 N ATOM 923 CA ILE A 64 7.603 -1.253 4.006 1.00 0.00 C ATOM 924 C ILE A 64 9.081 -1.082 4.324 1.00 0.00 C ATOM 925 O ILE A 64 9.776 -0.297 3.684 1.00 0.00 O ATOM 926 CB ILE A 64 6.764 -0.723 5.188 1.00 0.00 C ATOM 927 CG1 ILE A 64 5.267 -0.874 4.895 1.00 0.00 C ATOM 928 CG2 ILE A 64 7.110 0.732 5.478 1.00 0.00 C ATOM 929 CD1 ILE A 64 4.790 -0.068 3.704 1.00 0.00 C ATOM 930 HA ILE A 64 7.346 -0.679 3.116 1.00 0.00 H ATOM 931 HB ILE A 64 7.001 -1.315 6.072 1.00 0.00 H ATOM 932 HG12 ILE A 64 5.059 -1.927 4.703 1.00 0.00 H ATOM 933 HG13 ILE A 64 4.710 -0.550 5.774 1.00 0.00 H ATOM 934 HD11 ILE A 64 4.979 0.990 3.884 1.00 0.00 H ATOM 935 HD12 ILE A 64 5.328 -0.388 2.812 1.00 0.00 H ATOM 936 HD13 ILE A 64 3.721 -0.229 3.563 1.00 0.00 H ATOM 937 HG21 ILE A 64 8.167 0.809 5.731 1.00 0.00 H ATOM 938 HG22 ILE A 64 6.901 1.337 4.595 1.00 0.00 H ATOM 939 HG23 ILE A 64 6.508 1.087 6.314 1.00 0.00 H ATOM 940 H ILE A 64 6.565 -3.134 4.269 1.00 0.00 H ATOM 941 N ALA A 65 9.558 -1.841 5.305 1.00 0.00 N ATOM 942 CA ALA A 65 10.960 -1.789 5.699 1.00 0.00 C ATOM 943 C ALA A 65 11.863 -2.042 4.499 1.00 0.00 C ATOM 944 O ALA A 65 12.930 -1.444 4.373 1.00 0.00 O ATOM 945 CB ALA A 65 11.237 -2.809 6.795 1.00 0.00 C ATOM 946 HA ALA A 65 11.174 -0.793 6.086 1.00 0.00 H ATOM 947 HB1 ALA A 65 10.614 -2.588 7.662 1.00 0.00 H ATOM 948 HB2 ALA A 65 11.006 -3.808 6.426 1.00 0.00 H ATOM 949 HB3 ALA A 65 12.288 -2.759 7.079 1.00 0.00 H ATOM 950 H ALA A 65 8.915 -2.488 5.804 1.00 0.00 H ATOM 951 N GLU A 66 11.419 -2.934 3.619 1.00 0.00 N ATOM 952 CA GLU A 66 12.169 -3.282 2.419 1.00 0.00 C ATOM 953 C GLU A 66 12.407 -2.056 1.538 1.00 0.00 C ATOM 954 O GLU A 66 13.456 -1.928 0.908 1.00 0.00 O ATOM 955 CB GLU A 66 11.418 -4.369 1.632 1.00 0.00 C ATOM 956 CG GLU A 66 12.159 -4.872 0.399 1.00 0.00 C ATOM 957 CD GLU A 66 12.016 -3.954 -0.802 1.00 0.00 C ATOM 958 OE1 GLU A 66 11.210 -3.003 -0.735 1.00 0.00 O ATOM 959 OE2 GLU A 66 12.699 -4.201 -1.819 1.00 0.00 O ATOM 960 HA GLU A 66 13.143 -3.666 2.723 1.00 0.00 H ATOM 961 HB2 GLU A 66 11.246 -5.215 2.297 1.00 0.00 H ATOM 962 HB3 GLU A 66 10.460 -3.959 1.312 1.00 0.00 H ATOM 963 HG2 GLU A 66 13.218 -4.961 0.643 1.00 0.00 H ATOM 964 HG3 GLU A 66 11.765 -5.853 0.134 1.00 0.00 H ATOM 965 H GLU A 66 10.505 -3.399 3.793 1.00 0.00 H ATOM 966 N PHE A 67 11.419 -1.167 1.488 1.00 0.00 N ATOM 967 CA PHE A 67 11.508 0.038 0.670 1.00 0.00 C ATOM 968 C PHE A 67 12.513 1.043 1.234 1.00 0.00 C ATOM 969 O PHE A 67 13.395 1.514 0.516 1.00 0.00 O ATOM 970 CB PHE A 67 10.122 0.676 0.544 1.00 0.00 C ATOM 971 CG PHE A 67 10.121 2.052 -0.056 1.00 0.00 C ATOM 972 CD1 PHE A 67 10.594 2.269 -1.340 1.00 0.00 C ATOM 973 CD2 PHE A 67 9.642 3.129 0.669 1.00 0.00 C ATOM 974 CE1 PHE A 67 10.587 3.538 -1.888 1.00 0.00 C ATOM 975 CE2 PHE A 67 9.633 4.398 0.130 1.00 0.00 C ATOM 976 CZ PHE A 67 10.106 4.605 -1.152 1.00 0.00 C ATOM 977 HA PHE A 67 11.868 -0.251 -0.317 1.00 0.00 H ATOM 978 HB2 PHE A 67 9.506 0.031 -0.082 1.00 0.00 H ATOM 979 HB3 PHE A 67 9.684 0.739 1.540 1.00 0.00 H ATOM 980 HD2 PHE A 67 9.267 2.972 1.680 1.00 0.00 H ATOM 981 HE2 PHE A 67 9.254 5.237 0.714 1.00 0.00 H ATOM 982 HZ PHE A 67 10.100 5.607 -1.582 1.00 0.00 H ATOM 983 HE1 PHE A 67 10.960 3.697 -2.900 1.00 0.00 H ATOM 984 HD1 PHE A 67 10.975 1.431 -1.924 1.00 0.00 H ATOM 985 H PHE A 67 10.559 -1.335 2.048 1.00 0.00 H ATOM 986 N LEU A 68 12.370 1.382 2.513 1.00 0.00 N ATOM 987 CA LEU A 68 13.256 2.338 3.151 1.00 0.00 C ATOM 988 C LEU A 68 14.634 1.738 3.402 1.00 0.00 C ATOM 989 O LEU A 68 15.599 2.460 3.635 1.00 0.00 O ATOM 990 CB LEU A 68 12.641 2.817 4.466 1.00 0.00 C ATOM 991 CG LEU A 68 11.267 3.479 4.338 1.00 0.00 C ATOM 992 CD1 LEU A 68 11.289 4.568 3.281 1.00 0.00 C ATOM 993 CD2 LEU A 68 10.185 2.459 4.025 1.00 0.00 C ATOM 994 HA LEU A 68 13.381 3.187 2.479 1.00 0.00 H ATOM 995 HB2 LEU A 68 12.541 1.955 5.126 1.00 0.00 H ATOM 996 HB3 LEU A 68 13.323 3.539 4.915 1.00 0.00 H ATOM 997 HG LEU A 68 11.032 3.933 5.301 1.00 0.00 H ATOM 998 HD21 LEU A 68 10.418 1.961 3.084 1.00 0.00 H ATOM 999 HD22 LEU A 68 10.140 1.721 4.826 1.00 0.00 H ATOM 1000 HD23 LEU A 68 9.223 2.965 3.941 1.00 0.00 H ATOM 1001 HD11 LEU A 68 12.021 5.327 3.558 1.00 0.00 H ATOM 1002 HD12 LEU A 68 11.561 4.133 2.319 1.00 0.00 H ATOM 1003 HD13 LEU A 68 10.301 5.023 3.209 1.00 0.00 H ATOM 1004 H LEU A 68 11.604 0.951 3.069 1.00 0.00 H ATOM 1005 N GLN A 69 14.710 0.416 3.364 1.00 0.00 N ATOM 1006 CA GLN A 69 15.965 -0.288 3.599 1.00 0.00 C ATOM 1007 C GLN A 69 17.038 0.133 2.596 1.00 0.00 C ATOM 1008 O GLN A 69 18.214 0.240 2.942 1.00 0.00 O ATOM 1009 CB GLN A 69 15.740 -1.796 3.517 1.00 0.00 C ATOM 1010 CG GLN A 69 16.962 -2.608 3.892 1.00 0.00 C ATOM 1011 CD GLN A 69 16.716 -4.102 3.821 1.00 0.00 C ATOM 1012 OE1 GLN A 69 16.390 -4.640 2.763 1.00 0.00 O ATOM 1013 NE2 GLN A 69 16.872 -4.781 4.952 1.00 0.00 N ATOM 1014 HA GLN A 69 16.315 -0.025 4.597 1.00 0.00 H ATOM 1015 HB2 GLN A 69 14.927 -2.062 4.193 1.00 0.00 H ATOM 1016 HB3 GLN A 69 15.457 -2.048 2.495 1.00 0.00 H ATOM 1017 HG2 GLN A 69 17.772 -2.355 3.208 1.00 0.00 H ATOM 1018 HG3 GLN A 69 17.253 -2.350 4.910 1.00 0.00 H ATOM 1019 HE22 GLN A 69 17.149 -4.284 5.823 1.00 0.00 H ATOM 1020 HE21 GLN A 69 16.718 -5.809 4.967 1.00 0.00 H ATOM 1021 H GLN A 69 13.851 -0.135 3.161 1.00 0.00 H ATOM 1022 N SER A 70 16.632 0.358 1.353 1.00 0.00 N ATOM 1023 CA SER A 70 17.567 0.760 0.308 1.00 0.00 C ATOM 1024 C SER A 70 17.880 2.253 0.388 1.00 0.00 C ATOM 1025 O SER A 70 19.036 2.664 0.282 1.00 0.00 O ATOM 1026 CB SER A 70 16.996 0.415 -1.069 1.00 0.00 C ATOM 1027 OG SER A 70 15.713 0.989 -1.246 1.00 0.00 O ATOM 1028 HA SER A 70 18.497 0.212 0.459 1.00 0.00 H ATOM 1029 HB2 SER A 70 16.918 -0.668 -1.161 1.00 0.00 H ATOM 1030 HB3 SER A 70 17.667 0.797 -1.839 1.00 0.00 H ATOM 1031 HG SER A 70 15.780 1.974 -1.167 1.00 0.00 H ATOM 1032 H SER A 70 15.625 0.245 1.119 1.00 0.00 H ATOM 1033 N GLN A 71 16.839 3.058 0.568 1.00 0.00 N ATOM 1034 CA GLN A 71 16.986 4.510 0.654 1.00 0.00 C ATOM 1035 C GLN A 71 17.693 4.946 1.934 1.00 0.00 C ATOM 1036 O GLN A 71 18.282 6.027 1.978 1.00 0.00 O ATOM 1037 CB GLN A 71 15.617 5.187 0.566 1.00 0.00 C ATOM 1038 CG GLN A 71 15.076 5.321 -0.852 1.00 0.00 C ATOM 1039 CD GLN A 71 15.031 4.004 -1.603 1.00 0.00 C ATOM 1040 OE1 GLN A 71 16.067 3.430 -1.938 1.00 0.00 O ATOM 1041 NE2 GLN A 71 13.824 3.519 -1.872 1.00 0.00 N ATOM 1042 HA GLN A 71 17.606 4.819 -0.188 1.00 0.00 H ATOM 1043 HB2 GLN A 71 14.907 4.600 1.149 1.00 0.00 H ATOM 1044 HB3 GLN A 71 15.701 6.185 0.996 1.00 0.00 H ATOM 1045 HG2 GLN A 71 14.065 5.725 -0.800 1.00 0.00 H ATOM 1046 HG3 GLN A 71 15.714 6.012 -1.402 1.00 0.00 H ATOM 1047 HE22 GLN A 71 12.975 4.039 -1.569 1.00 0.00 H ATOM 1048 HE21 GLN A 71 13.728 2.620 -2.385 1.00 0.00 H ATOM 1049 H GLN A 71 15.889 2.642 0.650 1.00 0.00 H ATOM 1050 N LYS A 72 17.619 4.125 2.981 1.00 0.00 N ATOM 1051 CA LYS A 72 18.249 4.475 4.251 1.00 0.00 C ATOM 1052 C LYS A 72 19.772 4.522 4.126 1.00 0.00 C ATOM 1053 O LYS A 72 20.294 4.980 3.111 1.00 0.00 O ATOM 1054 CB LYS A 72 17.823 3.518 5.365 1.00 0.00 C ATOM 1055 CG LYS A 72 18.290 2.085 5.169 1.00 0.00 C ATOM 1056 CD LYS A 72 17.883 1.194 6.334 1.00 0.00 C ATOM 1057 CE LYS A 72 18.548 1.626 7.633 1.00 0.00 C ATOM 1058 NZ LYS A 72 20.034 1.589 7.537 1.00 0.00 N ATOM 1059 HA LYS A 72 17.906 5.475 4.518 1.00 0.00 H ATOM 1060 HB2 LYS A 72 18.232 3.885 6.306 1.00 0.00 H ATOM 1061 HB3 LYS A 72 16.734 3.519 5.419 1.00 0.00 H ATOM 1062 HG2 LYS A 72 17.849 1.692 4.253 1.00 0.00 H ATOM 1063 HG3 LYS A 72 19.376 2.077 5.081 1.00 0.00 H ATOM 1064 HD2 LYS A 72 16.801 1.245 6.457 1.00 0.00 H ATOM 1065 HD3 LYS A 72 18.174 0.167 6.112 1.00 0.00 H ATOM 1066 HE2 LYS A 72 18.230 0.956 8.432 1.00 0.00 H ATOM 1067 HE3 LYS A 72 18.235 2.643 7.868 1.00 0.00 H ATOM 1068 HZ1 LYS A 72 20.342 0.620 7.320 1.00 0.00 H ATOM 1069 HZ2 LYS A 72 20.347 2.231 6.781 1.00 0.00 H ATOM 1070 HZ3 LYS A 72 20.446 1.890 8.443 1.00 0.00 H ATOM 1071 H LYS A 72 17.107 3.224 2.893 1.00 0.00 H ATOM 1072 N THR A 73 20.483 4.085 5.172 1.00 0.00 N ATOM 1073 CA THR A 73 21.944 4.128 5.170 1.00 0.00 C ATOM 1074 C THR A 73 22.393 5.524 4.764 1.00 0.00 C ATOM 1075 O THR A 73 23.486 5.725 4.234 1.00 0.00 O ATOM 1076 CB THR A 73 22.560 3.084 4.215 1.00 0.00 C ATOM 1077 OG1 THR A 73 22.150 3.339 2.866 1.00 0.00 O ATOM 1078 CG2 THR A 73 22.148 1.676 4.615 1.00 0.00 C ATOM 1079 HA THR A 73 22.291 3.888 6.175 1.00 0.00 H ATOM 1080 HB THR A 73 23.645 3.165 4.283 1.00 0.00 H ATOM 1081 HG1 THR A 73 21.163 3.288 2.807 1.00 0.00 H ATOM 1082 HG23 THR A 73 22.461 1.485 5.641 1.00 0.00 H ATOM 1083 HG21 THR A 73 21.065 1.581 4.541 1.00 0.00 H ATOM 1084 HG22 THR A 73 22.624 0.956 3.949 1.00 0.00 H ATOM 1085 H THR A 73 19.986 3.707 6.004 1.00 0.00 H ATOM 1086 N ALA A 74 21.497 6.472 5.014 1.00 0.00 N ATOM 1087 CA ALA A 74 21.698 7.875 4.690 1.00 0.00 C ATOM 1088 C ALA A 74 20.437 8.651 5.047 1.00 0.00 C ATOM 1089 O ALA A 74 20.477 9.850 5.315 1.00 0.00 O ATOM 1090 CB ALA A 74 22.020 8.042 3.211 1.00 0.00 C ATOM 1091 HA ALA A 74 22.541 8.261 5.264 1.00 0.00 H ATOM 1092 HB1 ALA A 74 22.930 7.490 2.974 1.00 0.00 H ATOM 1093 HB2 ALA A 74 21.193 7.656 2.615 1.00 0.00 H ATOM 1094 HB3 ALA A 74 22.167 9.099 2.990 1.00 0.00 H ATOM 1095 H ALA A 74 20.602 6.195 5.466 1.00 0.00 H ATOM 1096 N HIS A 75 19.310 7.937 5.036 1.00 0.00 N ATOM 1097 CA HIS A 75 18.013 8.524 5.347 1.00 0.00 C ATOM 1098 C HIS A 75 17.990 9.121 6.752 1.00 0.00 C ATOM 1099 O HIS A 75 18.360 8.457 7.722 1.00 0.00 O ATOM 1100 CB HIS A 75 16.913 7.467 5.219 1.00 0.00 C ATOM 1101 CG HIS A 75 15.540 7.989 5.512 1.00 0.00 C ATOM 1102 ND1 HIS A 75 14.947 8.999 4.785 1.00 0.00 N ATOM 1103 CD2 HIS A 75 14.644 7.637 6.464 1.00 0.00 C ATOM 1104 CE1 HIS A 75 13.746 9.245 5.275 1.00 0.00 C ATOM 1105 NE2 HIS A 75 13.538 8.432 6.294 1.00 0.00 N ATOM 1106 HA HIS A 75 17.834 9.328 4.633 1.00 0.00 H ATOM 1107 HB2 HIS A 75 16.924 7.080 4.200 1.00 0.00 H ATOM 1108 HB3 HIS A 75 17.130 6.658 5.916 1.00 0.00 H ATOM 1109 HD2 HIS A 75 14.776 6.866 7.223 1.00 0.00 H ATOM 1110 HE1 HIS A 75 13.046 9.992 4.902 1.00 0.00 H ATOM 1111 H HIS A 75 19.359 6.926 4.797 1.00 0.00 H ATOM 1112 N GLU A 76 17.533 10.371 6.847 1.00 0.00 N ATOM 1113 CA GLU A 76 17.431 11.079 8.126 1.00 0.00 C ATOM 1114 C GLU A 76 18.801 11.448 8.701 1.00 0.00 C ATOM 1115 O GLU A 76 18.923 12.443 9.415 1.00 0.00 O ATOM 1116 CB GLU A 76 16.648 10.239 9.140 1.00 0.00 C ATOM 1117 CG GLU A 76 16.445 10.932 10.479 1.00 0.00 C ATOM 1118 CD GLU A 76 15.652 10.089 11.460 1.00 0.00 C ATOM 1119 OE1 GLU A 76 15.268 8.956 11.096 1.00 0.00 O ATOM 1120 OE2 GLU A 76 15.416 10.561 12.592 1.00 0.00 O ATOM 1121 HA GLU A 76 16.897 12.009 7.932 1.00 0.00 H ATOM 1122 HB2 GLU A 76 15.669 10.012 8.717 1.00 0.00 H ATOM 1123 HB3 GLU A 76 17.192 9.310 9.312 1.00 0.00 H ATOM 1124 HG2 GLU A 76 17.422 11.146 10.913 1.00 0.00 H ATOM 1125 HG3 GLU A 76 15.911 11.867 10.311 1.00 0.00 H ATOM 1126 H GLU A 76 17.238 10.862 5.979 1.00 0.00 H ATOM 1127 N THR A 77 19.819 10.641 8.404 1.00 0.00 N ATOM 1128 CA THR A 77 21.171 10.882 8.909 1.00 0.00 C ATOM 1129 C THR A 77 21.169 11.022 10.428 1.00 0.00 C ATOM 1130 O THR A 77 21.819 11.909 10.982 1.00 0.00 O ATOM 1131 CB THR A 77 21.818 12.138 8.284 1.00 0.00 C ATOM 1132 OG1 THR A 77 21.077 13.311 8.637 1.00 0.00 O ATOM 1133 CG2 THR A 77 21.888 12.017 6.770 1.00 0.00 C ATOM 1134 HA THR A 77 21.765 10.015 8.621 1.00 0.00 H ATOM 1135 HB THR A 77 22.832 12.221 8.676 1.00 0.00 H ATOM 1136 HG1 THR A 77 20.149 13.226 8.303 1.00 0.00 H ATOM 1137 HG23 THR A 77 22.453 11.123 6.504 1.00 0.00 H ATOM 1138 HG21 THR A 77 20.878 11.944 6.366 1.00 0.00 H ATOM 1139 HG22 THR A 77 22.383 12.897 6.359 1.00 0.00 H ATOM 1140 H THR A 77 19.647 9.815 7.795 1.00 0.00 H ATOM 1141 N ASP A 78 20.434 10.136 11.092 1.00 0.00 N ATOM 1142 CA ASP A 78 20.336 10.146 12.549 1.00 0.00 C ATOM 1143 C ASP A 78 20.009 8.746 13.072 1.00 0.00 C ATOM 1144 O ASP A 78 20.627 7.766 12.658 1.00 0.00 O ATOM 1145 CB ASP A 78 19.269 11.148 13.008 1.00 0.00 C ATOM 1146 CG ASP A 78 19.620 12.582 12.663 1.00 0.00 C ATOM 1147 OD1 ASP A 78 20.672 13.066 13.133 1.00 0.00 O ATOM 1148 OD2 ASP A 78 18.841 13.223 11.926 1.00 0.00 O ATOM 1149 HA ASP A 78 21.299 10.453 12.957 1.00 0.00 H ATOM 1150 HB2 ASP A 78 18.324 10.895 12.527 1.00 0.00 H ATOM 1151 HB3 ASP A 78 19.158 11.067 14.089 1.00 0.00 H ATOM 1152 H ASP A 78 19.912 9.413 10.557 1.00 0.00 H ATOM 1153 N LYS A 79 19.039 8.656 13.983 1.00 0.00 N ATOM 1154 CA LYS A 79 18.643 7.373 14.553 1.00 0.00 C ATOM 1155 C LYS A 79 17.956 6.496 13.504 1.00 0.00 C ATOM 1156 O LYS A 79 18.364 6.472 12.343 1.00 0.00 O ATOM 1157 CB LYS A 79 17.714 7.599 15.749 1.00 0.00 C ATOM 1158 CG LYS A 79 18.334 8.451 16.845 1.00 0.00 C ATOM 1159 CD LYS A 79 17.369 8.664 18.003 1.00 0.00 C ATOM 1160 CE LYS A 79 17.017 7.353 18.688 1.00 0.00 C ATOM 1161 NZ LYS A 79 16.074 7.555 19.822 1.00 0.00 N ATOM 1162 HA LYS A 79 19.540 6.854 14.891 1.00 0.00 H ATOM 1163 HB2 LYS A 79 16.810 8.095 15.395 1.00 0.00 H ATOM 1164 HB3 LYS A 79 17.453 6.629 16.172 1.00 0.00 H ATOM 1165 HG2 LYS A 79 19.229 7.953 17.217 1.00 0.00 H ATOM 1166 HG3 LYS A 79 18.606 9.421 16.428 1.00 0.00 H ATOM 1167 HD2 LYS A 79 17.831 9.331 18.731 1.00 0.00 H ATOM 1168 HD3 LYS A 79 16.455 9.121 17.623 1.00 0.00 H ATOM 1169 HE2 LYS A 79 17.931 6.896 19.067 1.00 0.00 H ATOM 1170 HE3 LYS A 79 16.555 6.687 17.959 1.00 0.00 H ATOM 1171 HZ1 LYS A 79 16.510 8.184 20.526 1.00 0.00 H ATOM 1172 HZ2 LYS A 79 15.195 7.985 19.468 1.00 0.00 H ATOM 1173 HZ3 LYS A 79 15.860 6.637 20.261 1.00 0.00 H ATOM 1174 H LYS A 79 18.553 9.521 14.294 1.00 0.00 H ATOM 1175 N SER A 80 16.913 5.776 13.920 1.00 0.00 N ATOM 1176 CA SER A 80 16.172 4.898 13.017 1.00 0.00 C ATOM 1177 C SER A 80 17.090 3.846 12.403 1.00 0.00 C ATOM 1178 O SER A 80 17.295 2.794 13.046 1.00 0.00 O ATOM 1179 CB SER A 80 15.496 5.716 11.913 1.00 0.00 C ATOM 1180 OG SER A 80 14.574 6.644 12.458 1.00 0.00 O ATOM 1181 HA SER A 80 15.405 4.386 13.598 1.00 0.00 H ATOM 1182 OXT SER A 80 17.597 4.080 11.284 1.00 0.00 O ATOM 1183 HB2 SER A 80 14.966 5.040 11.242 1.00 0.00 H ATOM 1184 HB3 SER A 80 16.258 6.258 11.353 1.00 0.00 H ATOM 1185 HG SER A 80 14.152 7.158 11.724 1.00 0.00 H ATOM 1186 H SER A 80 16.619 5.841 14.915 1.00 0.00 H TER 1187 SER A 80 HETATM 1188 N ALA A 1 4.346 -22.060 3.547 1.00 0.24 N HETATM 1189 CA ALA A 1 3.309 -22.095 4.611 1.00 0.06 C HETATM 1190 C ALA A 1 3.119 -20.718 5.238 1.00 0.23 C HETATM 1191 O ALA A 1 1.993 -20.300 5.508 1.00 -0.39 O HETATM 1192 N ALA A 1 4.226 -20.015 5.466 1.00 -0.26 N HETATM 1193 CA ALA A 1 4.178 -18.684 6.060 1.00 0.13 C HETATM 1194 C ALA A 1 3.292 -17.745 5.245 1.00 0.20 C HETATM 1195 O ALA A 1 3.271 -17.802 4.015 1.00 -0.39 O HETATM 1196 N ALA A 1 2.545 -16.893 5.942 1.00 -0.26 N HETATM 1197 CA ALA A 1 1.645 -15.950 5.290 1.00 0.16 C HETATM 1198 C ALA A 1 2.414 -14.901 4.494 1.00 0.21 C HETATM 1199 O ALA A 1 3.340 -14.273 5.006 1.00 -0.39 O HETATM 1200 N ALA A 1 2.021 -14.716 3.238 1.00 -0.26 N HETATM 1201 CA ALA A 1 2.667 -13.739 2.369 1.00 0.13 C HETATM 1202 CB ALA A 1 2.487 -14.126 0.901 1.00 -0.01 C HETATM 1203 CG ALA A 1 1.036 -14.297 0.485 1.00 -0.04 C HETATM 1204 CD ALA A 1 0.928 -14.853 -0.926 1.00 -0.01 C HETATM 1205 CE ALA A 1 -0.520 -15.086 -1.325 1.00 -0.03 C HETATM 1206 NZ ALA A 1 -0.630 -15.719 -2.668 1.00 0.23 N HETATM 1207 CH1 ALA A 1 -1.734 -16.486 -2.709 1.00 -0.04 C HETATM 1208 H39 ALA A 1 -1.818 -16.955 -3.700 1.00 0.08 H HETATM 1209 H40 ALA A 1 -2.621 -15.863 -2.522 1.00 0.08 H HETATM 1210 H41 ALA A 1 -1.666 -17.268 -1.938 1.00 0.08 H HETATM 1211 CH2 ALA A 1 -0.721 -14.760 -3.605 1.00 -0.04 C HETATM 1212 H42 ALA A 1 0.181 -14.131 -3.574 1.00 0.08 H HETATM 1213 H43 ALA A 1 -1.608 -14.139 -3.410 1.00 0.08 H HETATM 1214 H44 ALA A 1 -0.810 -15.225 -4.598 1.00 0.08 H HETATM 1215 H38 ALA A 1 0.184 -16.287 -2.842 1.00 0.20 H HETATM 1216 H36 ALA A 1 -1.044 -14.119 -1.343 1.00 0.08 H HETATM 1217 H37 ALA A 1 -0.992 -15.745 -0.582 1.00 0.08 H HETATM 1218 H34 ALA A 1 1.470 -15.809 -0.976 1.00 0.03 H HETATM 1219 H35 ALA A 1 1.381 -14.137 -1.628 1.00 0.03 H HETATM 1220 H32 ALA A 1 0.534 -13.319 0.524 1.00 0.03 H HETATM 1221 H33 ALA A 1 0.543 -14.990 1.182 1.00 0.03 H HETATM 1222 H30 ALA A 1 3.012 -15.077 0.726 1.00 0.03 H HETATM 1223 H31 ALA A 1 2.936 -13.339 0.277 1.00 0.03 H HETATM 1224 C ALA A 1 2.115 -12.338 2.622 1.00 0.20 C HETATM 1225 O ALA A 1 0.932 -12.171 2.920 1.00 -0.39 O HETATM 1226 N ALA A 1 2.986 -11.339 2.509 1.00 -0.26 N HETATM 1227 CA ALA A 1 2.602 -9.948 2.730 1.00 0.13 C HETATM 1228 C ALA A 1 1.355 -9.571 1.932 1.00 0.20 C HETATM 1229 O ALA A 1 1.216 -9.934 0.764 1.00 -0.39 O HETATM 1230 N ALA A 1 0.453 -8.837 2.581 1.00 -0.26 N HETATM 1231 CA ALA A 1 -0.791 -8.396 1.957 1.00 0.16 C HETATM 1232 C ALA A 1 -1.251 -7.069 2.551 1.00 0.21 C HETATM 1233 O ALA A 1 -1.081 -6.826 3.744 1.00 -0.39 O HETATM 1234 N ALA A 1 -1.834 -6.213 1.717 1.00 -0.26 N HETATM 1235 CA ALA A 1 -2.315 -4.914 2.175 1.00 0.13 C HETATM 1236 C ALA A 1 -3.686 -4.599 1.592 1.00 0.20 C HETATM 1237 O ALA A 1 -3.886 -4.664 0.378 1.00 -0.39 O HETATM 1238 N ALA A 1 -4.628 -4.251 2.464 1.00 -0.26 N HETATM 1239 CA ALA A 1 -5.980 -3.919 2.034 1.00 0.13 C HETATM 1240 C ALA A 1 -5.975 -2.632 1.219 1.00 0.20 C HETATM 1241 O ALA A 1 -5.568 -1.579 1.711 1.00 -0.39 O HETATM 1242 N ALA A 1 -6.422 -2.720 -0.030 1.00 -0.26 N HETATM 1243 CA ALA A 1 -6.458 -1.556 -0.908 1.00 0.13 C HETATM 1244 CB ALA A 1 -6.307 -1.985 -2.367 1.00 -0.01 C HETATM 1245 CG ALA A 1 -7.426 -2.894 -2.851 1.00 -0.04 C HETATM 1246 CD ALA A 1 -7.333 -3.154 -4.346 1.00 -0.01 C HETATM 1247 CE ALA A 1 -7.422 -1.856 -5.148 1.00 -0.03 C HETATM 1248 NZ ALA A 1 -7.484 -2.083 -6.628 1.00 0.23 N HETATM 1249 CH1 ALA A 1 -6.414 -2.799 -7.028 1.00 -0.04 C HETATM 1250 H89 ALA A 1 -6.467 -2.961 -8.115 1.00 0.08 H HETATM 1251 H90 ALA A 1 -6.409 -3.771 -6.512 1.00 0.08 H HETATM 1252 H91 ALA A 1 -5.493 -2.249 -6.784 1.00 0.08 H HETATM 1253 CH2 ALA A 1 -8.611 -2.756 -6.932 1.00 -0.04 C HETATM 1254 H92 ALA A 1 -9.485 -2.173 -6.606 1.00 0.08 H HETATM 1255 H93 ALA A 1 -8.607 -3.729 -6.419 1.00 0.08 H HETATM 1256 H94 ALA A 1 -8.661 -2.915 -8.019 1.00 0.08 H HETATM 1257 H88 ALA A 1 -7.487 -1.193 -7.102 1.00 0.20 H HETATM 1258 H86 ALA A 1 -6.535 -1.245 -4.924 1.00 0.08 H HETATM 1259 H87 ALA A 1 -8.328 -1.315 -4.839 1.00 0.08 H HETATM 1260 H84 ALA A 1 -8.159 -3.816 -4.646 1.00 0.03 H HETATM 1261 H85 ALA A 1 -6.372 -3.644 -4.564 1.00 0.03 H HETATM 1262 H82 ALA A 1 -8.393 -2.417 -2.632 1.00 0.03 H HETATM 1263 H83 ALA A 1 -7.361 -3.854 -2.318 1.00 0.03 H HETATM 1264 H80 ALA A 1 -5.352 -2.520 -2.475 1.00 0.03 H HETATM 1265 H81 ALA A 1 -6.295 -1.083 -2.996 1.00 0.03 H HETATM 1266 C ALA A 1 -7.751 -0.766 -0.735 1.00 0.20 C HETATM 1267 O ALA A 1 -8.200 -0.091 -1.662 1.00 -0.39 O HETATM 1268 N ALA A 1 -8.344 -0.849 0.454 1.00 -0.26 N HETATM 1269 CA ALA A 1 -9.583 -0.135 0.744 1.00 0.15 C HETATM 1270 C ALA A 1 -10.608 -0.350 -0.370 1.00 0.21 C HETATM 1271 O ALA A 1 -11.246 0.596 -0.833 1.00 -0.39 O HETATM 1272 N ALA A 1 -10.754 -1.600 -0.802 1.00 -0.26 N HETATM 1273 CA ALA A 1 -11.691 -1.937 -1.867 1.00 0.16 C HETATM 1274 C ALA A 1 -13.123 -1.578 -1.482 1.00 0.21 C HETATM 1275 O ALA A 1 -13.803 -0.849 -2.205 1.00 -0.39 O HETATM 1276 N ALA A 1 -13.573 -2.096 -0.343 1.00 -0.27 N HETATM 1277 CA ALA A 1 -14.924 -1.823 0.115 1.00 0.12 C HETATM 1278 C ALA A 1 -15.964 -2.155 -0.936 1.00 0.20 C HETATM 1279 O ALA A 1 -15.820 -3.133 -1.670 1.00 -0.39 O HETATM 1280 N ALA A 1 -17.009 -1.333 -1.018 1.00 -0.27 N HETATM 1281 CA ALA A 1 -18.057 -1.559 -1.999 1.00 0.12 C HETATM 1282 C ALA A 1 -18.607 -2.972 -1.954 1.00 0.20 C HETATM 1283 O ALA A 1 -18.947 -3.479 -0.886 1.00 -0.39 O HETATM 1284 N ALA A 1 -18.686 -3.607 -3.120 1.00 -0.26 N HETATM 1285 CA ALA A 1 -19.192 -4.971 -3.219 1.00 0.13 C HETATM 1286 C ALA A 1 -18.874 -5.564 -4.589 1.00 0.20 C HETATM 1287 O ALA A 1 -19.018 -4.896 -5.613 1.00 -0.39 O HETATM 1288 N ALA A 1 -18.436 -6.820 -4.596 1.00 -0.26 N HETATM 1289 CA ALA A 1 -18.092 -7.505 -5.838 1.00 0.13 C HETATM 1290 C ALA A 1 -19.288 -7.565 -6.786 1.00 0.21 C HETATM 1291 O ALA A 1 -20.409 -7.849 -6.365 1.00 -0.39 O HETATM 1292 N ALA A 1 -19.063 -7.301 -8.087 1.00 -0.25 N HETATM 1293 CA ALA A 1 -20.129 -7.330 -9.095 1.00 0.13 C HETATM 1294 C ALA A 1 -20.719 -8.726 -9.269 1.00 0.20 C HETATM 1295 O ALA A 1 -21.937 -8.889 -9.351 1.00 -0.39 O HETATM 1296 N ALA A 1 -19.846 -9.727 -9.326 1.00 -0.27 N HETATM 1297 CA ALA A 1 -20.296 -11.098 -9.488 1.00 0.12 C HETATM 1298 C ALA A 1 -20.994 -11.329 -10.814 1.00 0.20 C HETATM 1299 O ALA A 1 -20.537 -10.855 -11.855 1.00 -0.39 O HETATM 1300 N ALA A 1 -22.103 -12.061 -10.777 1.00 -0.27 N HETATM 1301 CA ALA A 1 -22.848 -12.344 -11.990 1.00 0.08 C HETATM 1302 C ALA A 1 -24.037 -13.251 -11.743 1.00 0.06 C HETATM 1303 O ALA A 1 -24.934 -12.856 -10.967 1.00 -0.57 O HETATM 1304 OXT ALA A 1 -24.073 -14.355 -12.325 1.00 -0.57 O HETATM 1305 H142 ALA A 1 -22.176 -12.832 -12.711 1.00 0.07 H HETATM 1306 H143 ALA A 1 -23.210 -11.395 -12.411 1.00 0.07 H HETATM 1307 H141 ALA A 1 -22.428 -12.421 -9.902 1.00 0.19 H HETATM 1308 H139 ALA A 1 -20.997 -11.337 -8.675 1.00 0.08 H HETATM 1309 H140 ALA A 1 -19.423 -11.765 -9.428 1.00 0.08 H HETATM 1310 H138 ALA A 1 -18.867 -9.533 -9.257 1.00 0.19 H HETATM 1311 CB ALA A 1 -19.425 -6.880 -10.380 1.00 -0.01 C HETATM 1312 CG ALA A 1 -17.983 -7.167 -10.148 1.00 -0.03 C HETATM 1313 CD ALA A 1 -17.756 -6.959 -8.678 1.00 0.04 C HETATM 1314 H136 ALA A 1 -16.966 -7.626 -8.302 1.00 0.05 H HETATM 1315 H137 ALA A 1 -17.487 -5.914 -8.464 1.00 0.05 H HETATM 1316 H134 ALA A 1 -17.356 -6.478 -10.734 1.00 0.03 H HETATM 1317 H135 ALA A 1 -17.749 -8.204 -10.429 1.00 0.03 H HETATM 1318 H132 ALA A 1 -19.583 -5.805 -10.552 1.00 0.03 H HETATM 1319 H133 ALA A 1 -19.798 -7.448 -11.245 1.00 0.03 H HETATM 1320 H131 ALA A 1 -20.933 -6.630 -8.825 1.00 0.08 H HETATM 1321 CB ALA A 1 -17.581 -8.906 -5.541 1.00 -0.02 C HETATM 1322 H128 ALA A 1 -17.326 -9.411 -6.484 1.00 0.03 H HETATM 1323 H129 ALA A 1 -18.362 -9.478 -5.019 1.00 0.03 H HETATM 1324 H130 ALA A 1 -16.686 -8.843 -4.905 1.00 0.03 H HETATM 1325 H127 ALA A 1 -17.289 -6.939 -6.333 1.00 0.08 H HETATM 1326 H126 ALA A 1 -18.340 -7.307 -3.728 1.00 0.19 H HETATM 1327 CB ALA A 1 -20.703 -5.005 -2.969 1.00 -0.01 C HETATM 1328 CG ALA A 1 -21.509 -4.191 -3.969 1.00 -0.04 C HETATM 1329 CD ALA A 1 -23.001 -4.290 -3.694 1.00 -0.01 C HETATM 1330 CE ALA A 1 -23.809 -3.507 -4.715 1.00 -0.04 C HETATM 1331 NZ ALA A 1 -23.470 -2.058 -4.702 1.00 0.22 N HETATM 1332 H123 ALA A 1 -24.026 -1.577 -5.391 1.00 0.20 H HETATM 1333 H124 ALA A 1 -22.492 -1.940 -4.917 1.00 0.20 H HETATM 1334 H125 ALA A 1 -23.662 -1.676 -3.789 1.00 0.20 H HETATM 1335 H121 ALA A 1 -24.879 -3.623 -4.486 1.00 0.08 H HETATM 1336 H122 ALA A 1 -23.602 -3.911 -5.717 1.00 0.08 H HETATM 1337 H119 ALA A 1 -23.207 -3.888 -2.691 1.00 0.03 H HETATM 1338 H120 ALA A 1 -23.302 -5.347 -3.734 1.00 0.03 H HETATM 1339 H117 ALA A 1 -21.307 -4.568 -4.982 1.00 0.03 H HETATM 1340 H118 ALA A 1 -21.202 -3.137 -3.902 1.00 0.03 H HETATM 1341 H115 ALA A 1 -20.897 -4.607 -1.962 1.00 0.03 H HETATM 1342 H116 ALA A 1 -21.040 -6.051 -3.022 1.00 0.03 H HETATM 1343 H114 ALA A 1 -18.697 -5.582 -2.450 1.00 0.08 H HETATM 1344 H113 ALA A 1 -18.390 -3.136 -3.951 1.00 0.19 H HETATM 1345 H111 ALA A 1 -17.646 -1.373 -3.002 1.00 0.08 H HETATM 1346 H112 ALA A 1 -18.879 -0.855 -1.804 1.00 0.08 H HETATM 1347 H110 ALA A 1 -17.073 -0.551 -0.397 1.00 0.19 H HETATM 1348 H108 ALA A 1 -15.004 -0.755 0.367 1.00 0.08 H HETATM 1349 H109 ALA A 1 -15.122 -2.427 1.013 1.00 0.08 H HETATM 1350 H107 ALA A 1 -12.974 -2.680 0.205 1.00 0.19 H HETATM 1351 CB ALA A 1 -11.629 -3.437 -2.215 1.00 0.09 C HETATM 1352 OG1 ALA A 1 -10.297 -3.797 -2.597 1.00 -0.39 O HETATM 1353 H103 ALA A 1 -10.269 -4.723 -2.809 1.00 0.21 H HETATM 1354 CG2 ALA A 1 -12.590 -3.773 -3.345 1.00 -0.03 C HETATM 1355 H104 ALA A 1 -12.526 -4.847 -3.573 1.00 0.03 H HETATM 1356 H105 ALA A 1 -12.322 -3.192 -4.239 1.00 0.03 H HETATM 1357 H106 ALA A 1 -13.617 -3.523 -3.039 1.00 0.03 H HETATM 1358 H102 ALA A 1 -11.914 -4.017 -1.325 1.00 0.06 H HETATM 1359 H101 ALA A 1 -11.414 -1.359 -2.761 1.00 0.08 H HETATM 1360 H100 ALA A 1 -10.207 -2.327 -0.386 1.00 0.19 H HETATM 1361 CB ALA A 1 -9.303 1.361 0.917 1.00 0.08 C HETATM 1362 OG ALA A 1 -10.489 2.072 1.231 1.00 -0.39 O HETATM 1363 H99 ALA A 1 -11.119 1.960 0.529 1.00 0.21 H HETATM 1364 H97 ALA A 1 -8.884 1.758 -0.019 1.00 0.06 H HETATM 1365 H98 ALA A 1 -8.576 1.498 1.731 1.00 0.06 H HETATM 1366 H96 ALA A 1 -10.000 -0.526 1.684 1.00 0.08 H HETATM 1367 H95 ALA A 1 -7.930 -1.415 1.167 1.00 0.19 H HETATM 1368 H79 ALA A 1 -5.614 -0.901 -0.646 1.00 0.08 H HETATM 1369 H78 ALA A 1 -6.740 -3.603 -0.375 1.00 0.19 H HETATM 1370 CB ALA A 1 -6.898 -3.767 3.249 1.00 -0.01 C HETATM 1371 CG ALA A 1 -6.938 -4.999 4.141 1.00 -0.02 C HETATM 1372 CD ALA A 1 -7.855 -4.793 5.336 1.00 0.06 C HETATM 1373 NE ALA A 1 -7.834 -5.930 6.256 1.00 -0.27 N HETATM 1374 CZ ALA A 1 -8.243 -7.156 5.934 1.00 0.29 C HETATM 1375 NH1 ALA A 1 -8.718 -7.407 4.722 1.00 -0.28 N HETATM 1376 H74 ALA A 1 -9.033 -8.357 4.479 1.00 0.26 H HETATM 1377 H75 ALA A 1 -8.772 -6.652 4.024 1.00 0.26 H HETATM 1378 NH2 ALA A 1 -8.181 -8.132 6.831 1.00 -0.28 N HETATM 1379 H76 ALA A 1 -7.813 -7.942 7.774 1.00 0.26 H HETATM 1380 H77 ALA A 1 -8.501 -9.079 6.584 1.00 0.26 H HETATM 1381 H73 ALA A 1 -7.481 -5.773 7.211 1.00 0.26 H HETATM 1382 H71 ALA A 1 -8.883 -4.652 4.972 1.00 0.07 H HETATM 1383 H72 ALA A 1 -7.531 -3.893 5.879 1.00 0.07 H HETATM 1384 H69 ALA A 1 -5.921 -5.211 4.503 1.00 0.03 H HETATM 1385 H70 ALA A 1 -7.304 -5.854 3.553 1.00 0.03 H HETATM 1386 H67 ALA A 1 -7.918 -3.564 2.891 1.00 0.03 H HETATM 1387 H68 ALA A 1 -6.543 -2.915 3.848 1.00 0.03 H HETATM 1388 H66 ALA A 1 -6.360 -4.736 1.403 1.00 0.08 H HETATM 1389 H65 ALA A 1 -4.403 -4.216 3.438 1.00 0.19 H HETATM 1390 CB ALA A 1 -1.321 -3.822 1.803 1.00 -0.02 C HETATM 1391 H62 ALA A 1 -1.696 -2.849 2.154 1.00 0.03 H HETATM 1392 H63 ALA A 1 -1.198 -3.795 0.710 1.00 0.03 H HETATM 1393 H64 ALA A 1 -0.350 -4.033 2.276 1.00 0.03 H HETATM 1394 H61 ALA A 1 -2.404 -4.946 3.271 1.00 0.08 H HETATM 1395 H60 ALA A 1 -1.945 -6.465 0.756 1.00 0.19 H HETATM 1396 CB ALA A 1 -1.921 -9.430 2.142 1.00 0.09 C HETATM 1397 OG1 ALA A 1 -2.139 -9.672 3.536 1.00 -0.39 O HETATM 1398 H56 ALA A 1 -2.836 -10.309 3.640 1.00 0.21 H HETATM 1399 CG2 ALA A 1 -1.593 -10.739 1.443 1.00 -0.03 C HETATM 1400 H57 ALA A 1 -2.417 -11.452 1.594 1.00 0.03 H HETATM 1401 H58 ALA A 1 -0.665 -11.156 1.862 1.00 0.03 H HETATM 1402 H59 ALA A 1 -1.459 -10.556 0.367 1.00 0.03 H HETATM 1403 H55 ALA A 1 -2.843 -9.021 1.704 1.00 0.06 H HETATM 1404 H54 ALA A 1 -0.608 -8.261 0.881 1.00 0.08 H HETATM 1405 H53 ALA A 1 0.634 -8.579 3.530 1.00 0.19 H HETATM 1406 CB ALA A 1 3.756 -9.016 2.360 1.00 0.00 C HETATM 1407 CG ALA A 1 4.908 -9.043 3.354 1.00 0.04 C HETATM 1408 CD ALA A 1 5.523 -10.420 3.505 1.00 0.17 C HETATM 1409 OE1 ALA A 1 6.024 -10.999 2.542 1.00 -0.40 O HETATM 1410 NE2 ALA A 1 5.489 -10.952 4.722 1.00 -0.30 N HETATM 1411 H51 ALA A 1 5.880 -11.858 4.883 1.00 0.18 H HETATM 1412 H52 ALA A 1 5.073 -10.446 5.478 1.00 0.18 H HETATM 1413 H49 ALA A 1 4.533 -8.716 4.335 1.00 0.05 H HETATM 1414 H50 ALA A 1 5.686 -8.347 3.009 1.00 0.05 H HETATM 1415 H47 ALA A 1 3.368 -7.988 2.306 1.00 0.03 H HETATM 1416 H48 ALA A 1 4.141 -9.315 1.374 1.00 0.03 H HETATM 1417 H46 ALA A 1 2.378 -9.820 3.799 1.00 0.08 H HETATM 1418 H45 ALA A 1 3.933 -11.547 2.265 1.00 0.19 H HETATM 1419 H29 ALA A 1 3.743 -13.733 2.597 1.00 0.08 H HETATM 1420 H28 ALA A 1 1.263 -15.261 2.880 1.00 0.19 H HETATM 1421 CB ALA A 1 0.736 -15.240 6.314 1.00 0.09 C HETATM 1422 OG1 ALA A 1 -0.093 -14.278 5.650 1.00 -0.39 O HETATM 1423 H24 ALA A 1 -0.649 -13.846 6.288 1.00 0.21 H HETATM 1424 CG2 ALA A 1 1.563 -14.547 7.388 1.00 -0.03 C HETATM 1425 H25 ALA A 1 0.892 -14.050 8.104 1.00 0.03 H HETATM 1426 H26 ALA A 1 2.219 -13.799 6.920 1.00 0.03 H HETATM 1427 H27 ALA A 1 2.176 -15.292 7.917 1.00 0.03 H HETATM 1428 H23 ALA A 1 0.093 -15.992 6.795 1.00 0.06 H HETATM 1429 H22 ALA A 1 1.008 -16.516 4.594 1.00 0.08 H HETATM 1430 H21 ALA A 1 2.603 -16.900 6.940 1.00 0.19 H HETATM 1431 CB ALA A 1 5.595 -18.112 6.212 1.00 -0.01 C HETATM 1432 CG ALA A 1 6.490 -18.298 4.991 1.00 -0.02 C HETATM 1433 CD ALA A 1 6.139 -17.334 3.869 1.00 0.06 C HETATM 1434 NE ALA A 1 6.258 -15.941 4.288 1.00 -0.27 N HETATM 1435 CZ ALA A 1 6.018 -14.907 3.490 1.00 0.29 C HETATM 1436 NH1 ALA A 1 5.650 -15.106 2.232 1.00 -0.28 N HETATM 1437 H17 ALA A 1 5.465 -14.301 1.616 1.00 0.26 H HETATM 1438 H18 ALA A 1 5.549 -16.065 1.870 1.00 0.26 H HETATM 1439 NH2 ALA A 1 6.148 -13.670 3.948 1.00 -0.28 N HETATM 1440 H19 ALA A 1 6.434 -13.510 4.925 1.00 0.26 H HETATM 1441 H20 ALA A 1 5.963 -12.869 3.327 1.00 0.26 H HETATM 1442 H16 ALA A 1 6.545 -15.749 5.258 1.00 0.26 H HETATM 1443 H14 ALA A 1 5.103 -17.522 3.550 1.00 0.07 H HETATM 1444 H15 ALA A 1 6.820 -17.510 3.023 1.00 0.07 H HETATM 1445 H12 ALA A 1 6.376 -19.328 4.622 1.00 0.03 H HETATM 1446 H13 ALA A 1 7.535 -18.129 5.289 1.00 0.03 H HETATM 1447 H10 ALA A 1 6.075 -18.608 7.068 1.00 0.03 H HETATM 1448 H11 ALA A 1 5.510 -17.034 6.414 1.00 0.03 H HETATM 1449 H9 ALA A 1 3.739 -18.776 7.064 1.00 0.08 H HETATM 1450 H8 ALA A 1 5.112 -20.409 5.224 1.00 0.19 H HETATM 1451 CB ALA A 1 3.680 -23.115 5.677 1.00 -0.00 C HETATM 1452 H5 ALA A 1 2.904 -23.129 6.457 1.00 0.03 H HETATM 1453 H6 ALA A 1 4.646 -22.841 6.126 1.00 0.03 H HETATM 1454 H7 ALA A 1 3.758 -24.112 5.219 1.00 0.03 H HETATM 1455 H4 ALA A 1 2.356 -22.400 4.154 1.00 0.11 H HETATM 1456 H1 ALA A 1 4.451 -22.981 3.150 1.00 0.20 H HETATM 1457 H2 ALA A 1 5.224 -21.762 3.943 1.00 0.20 H HETATM 1458 H3 ALA A 1 4.066 -21.413 2.826 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 1188 1189 1456 1457 1458 CONECT 1189 1188 1190 1451 1455 CONECT 1190 1189 1191 1192 CONECT 1191 1190 CONECT 1192 1190 1193 1450 CONECT 1193 1192 1194 1431 1449 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1430 CONECT 1197 1196 1198 1421 1429 CONECT 1198 1197 1199 1200 CONECT 1199 1198 CONECT 1200 1198 1201 1420 CONECT 1201 1200 1202 1224 1419 CONECT 1202 1201 1203 1222 1223 CONECT 1203 1202 1204 1220 1221 CONECT 1204 1203 1205 1218 1219 CONECT 1205 1204 1206 1216 1217 CONECT 1206 1205 1207 1211 1215 CONECT 1207 1206 1208 1209 1210 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 CONECT 1211 1206 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1206 CONECT 1216 1205 CONECT 1217 1205 CONECT 1218 1204 CONECT 1219 1204 CONECT 1220 1203 CONECT 1221 1203 CONECT 1222 1202 CONECT 1223 1202 CONECT 1224 1201 1225 1226 CONECT 1225 1224 CONECT 1226 1224 1227 1418 CONECT 1227 1226 1228 1406 1417 CONECT 1228 1227 1229 1230 CONECT 1229 1228 CONECT 1230 1228 1231 1405 CONECT 1231 1230 1232 1396 1404 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1395 CONECT 1235 1234 1236 1390 1394 CONECT 1236 1235 1237 1238 CONECT 1237 1236 CONECT 1238 1236 1239 1389 CONECT 1239 1238 1240 1370 1388 CONECT 1240 1239 1241 1242 CONECT 1241 1240 CONECT 1242 1240 1243 1369 CONECT 1243 1242 1244 1266 1368 CONECT 1244 1243 1245 1264 1265 CONECT 1245 1244 1246 1262 1263 CONECT 1246 1245 1247 1260 1261 CONECT 1247 1246 1248 1258 1259 CONECT 1248 1247 1249 1253 1257 CONECT 1249 1248 1250 1251 1252 CONECT 1250 1249 CONECT 1251 1249 CONECT 1252 1249 CONECT 1253 1248 1254 1255 1256 CONECT 1254 1253 CONECT 1255 1253 CONECT 1256 1253 CONECT 1257 1248 CONECT 1258 1247 CONECT 1259 1247 CONECT 1260 1246 CONECT 1261 1246 CONECT 1262 1245 CONECT 1263 1245 CONECT 1264 1244 CONECT 1265 1244 CONECT 1266 1243 1267 1268 CONECT 1267 1266 CONECT 1268 1266 1269 1367 CONECT 1269 1268 1270 1361 1366 CONECT 1270 1269 1271 1272 CONECT 1271 1270 CONECT 1272 1270 1273 1360 CONECT 1273 1272 1274 1351 1359 CONECT 1274 1273 1275 1276 CONECT 1275 1274 CONECT 1276 1274 1277 1350 CONECT 1277 1276 1278 1348 1349 CONECT 1278 1277 1279 1280 CONECT 1279 1278 CONECT 1280 1278 1281 1347 CONECT 1281 1280 1282 1345 1346 CONECT 1282 1281 1283 1284 CONECT 1283 1282 CONECT 1284 1282 1285 1344 CONECT 1285 1284 1286 1327 1343 CONECT 1286 1285 1287 1288 CONECT 1287 1286 CONECT 1288 1286 1289 1326 CONECT 1289 1288 1290 1321 1325 CONECT 1290 1289 1291 1292 CONECT 1291 1290 CONECT 1292 1290 1293 1313 CONECT 1293 1292 1294 1311 1320 CONECT 1294 1293 1295 1296 CONECT 1295 1294 CONECT 1296 1294 1297 1310 CONECT 1297 1296 1298 1308 1309 CONECT 1298 1297 1299 1300 CONECT 1299 1298 CONECT 1300 1298 1301 1307 CONECT 1301 1300 1302 1305 1306 CONECT 1302 1301 1303 1304 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1301 CONECT 1306 1301 CONECT 1307 1300 CONECT 1308 1297 CONECT 1309 1297 CONECT 1310 1296 CONECT 1311 1293 1312 1318 1319 CONECT 1312 1311 1313 1316 1317 CONECT 1313 1292 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1312 CONECT 1317 1312 CONECT 1318 1311 CONECT 1319 1311 CONECT 1320 1293 CONECT 1321 1289 1322 1323 1324 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1321 CONECT 1325 1289 CONECT 1326 1288 CONECT 1327 1285 1328 1341 1342 CONECT 1328 1327 1329 1339 1340 CONECT 1329 1328 1330 1337 1338 CONECT 1330 1329 1331 1335 1336 CONECT 1331 1330 1332 1333 1334 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1331 CONECT 1335 1330 CONECT 1336 1330 CONECT 1337 1329 CONECT 1338 1329 CONECT 1339 1328 CONECT 1340 1328 CONECT 1341 1327 CONECT 1342 1327 CONECT 1343 1285 CONECT 1344 1284 CONECT 1345 1281 CONECT 1346 1281 CONECT 1347 1280 CONECT 1348 1277 CONECT 1349 1277 CONECT 1350 1276 CONECT 1351 1273 1352 1354 1358 CONECT 1352 1351 1353 CONECT 1353 1352 CONECT 1354 1351 1355 1356 1357 CONECT 1355 1354 CONECT 1356 1354 CONECT 1357 1354 CONECT 1358 1351 CONECT 1359 1273 CONECT 1360 1272 CONECT 1361 1269 1362 1364 1365 CONECT 1362 1361 1363 CONECT 1363 1362 CONECT 1364 1361 CONECT 1365 1361 CONECT 1366 1269 CONECT 1367 1268 CONECT 1368 1243 CONECT 1369 1242 CONECT 1370 1239 1371 1386 1387 CONECT 1371 1370 1372 1384 1385 CONECT 1372 1371 1373 1382 1383 CONECT 1373 1372 1374 1381 CONECT 1374 1373 1375 1378 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1374 1379 1380 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1373 CONECT 1382 1372 CONECT 1383 1372 CONECT 1384 1371 CONECT 1385 1371 CONECT 1386 1370 CONECT 1387 1370 CONECT 1388 1239 CONECT 1389 1238 CONECT 1390 1235 1391 1392 1393 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1390 CONECT 1394 1235 CONECT 1395 1234 CONECT 1396 1231 1397 1399 1403 CONECT 1397 1396 1398 CONECT 1398 1397 CONECT 1399 1396 1400 1401 1402 CONECT 1400 1399 CONECT 1401 1399 CONECT 1402 1399 CONECT 1403 1396 CONECT 1404 1231 CONECT 1405 1230 CONECT 1406 1227 1407 1415 1416 CONECT 1407 1406 1408 1413 1414 CONECT 1408 1407 1409 1410 CONECT 1409 1408 CONECT 1410 1408 1411 1412 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1407 CONECT 1414 1407 CONECT 1415 1406 CONECT 1416 1406 CONECT 1417 1227 CONECT 1418 1226 CONECT 1419 1201 CONECT 1420 1200 CONECT 1421 1197 1422 1424 1428 CONECT 1422 1421 1423 CONECT 1423 1422 CONECT 1424 1421 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1421 CONECT 1429 1197 CONECT 1430 1196 CONECT 1431 1193 1432 1447 1448 CONECT 1432 1431 1433 1445 1446 CONECT 1433 1432 1434 1443 1444 CONECT 1434 1433 1435 1442 CONECT 1435 1434 1436 1439 CONECT 1436 1435 1437 1438 CONECT 1437 1436 CONECT 1438 1436 CONECT 1439 1435 1440 1441 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1434 CONECT 1443 1433 CONECT 1444 1433 CONECT 1445 1432 CONECT 1446 1432 CONECT 1447 1431 CONECT 1448 1431 CONECT 1449 1193 CONECT 1450 1192 CONECT 1451 1189 1452 1453 1454 CONECT 1452 1451 CONECT 1453 1451 CONECT 1454 1451 CONECT 1455 1189 CONECT 1456 1188 CONECT 1457 1188 CONECT 1458 1188 MASTER 0 0 0 0 0 0 0 0 1457 1 275 6 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1guw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a3e
RCSB PDB
PDBbind
18-mer
1l0a
RCSB PDB
PDBbind
18-mer
1n4m
RCSB PDB
PDBbind
18-mer
1o9k
RCSB PDB
PDBbind
18-mer
1ov3
RCSB PDB
PDBbind
18-mer
1pdq
RCSB PDB
PDBbind
18-mer
2df6
RCSB PDB
PDBbind
18-mer
2emt
RCSB PDB
PDBbind
18-mer
2h2d
RCSB PDB
PDBbind
18-mer
2kbr
RCSB PDB
PDBbind
18-mer
2knh
RCSB PDB
PDBbind
18-mer
2kzu
RCSB PDB
PDBbind
18-mer
2l8j
RCSB PDB
PDBbind
18-mer
2lp8
RCSB PDB
PDBbind
18-mer
2rvn
RCSB PDB
PDBbind
18-mer
2vpg
RCSB PDB
PDBbind
18-mer
2xs8
RCSB PDB
PDBbind
18-mer
2y9q
RCSB PDB
PDBbind
18-mer
3c3q
RCSB PDB
PDBbind
18-mer
3cfv
RCSB PDB
PDBbind
18-mer
3isw
RCSB PDB
PDBbind
18-mer
3iux
RCSB PDB
PDBbind
18-mer
3kl8
RCSB PDB
PDBbind
18-mer
3l6x
RCSB PDB
PDBbind
18-mer
3pdh
RCSB PDB
PDBbind
18-mer
3rtx
RCSB PDB
PDBbind
18-mer
3uat
RCSB PDB
PDBbind
18-mer
3v31
RCSB PDB
PDBbind
18-mer
3v43
RCSB PDB
PDBbind
18-mer
4aom
RCSB PDB
PDBbind
18-mer
4ejf
RCSB PDB
PDBbind
18-mer
4glr
RCSB PDB
PDBbind
18-mer
4jk5
RCSB PDB
PDBbind
18-mer
4jk6
RCSB PDB
PDBbind
18-mer
4mzl
RCSB PDB
PDBbind
18-mer
4pn1
RCSB PDB
PDBbind
18-mer
4pz8
RCSB PDB
PDBbind
18-mer
4ris
RCSB PDB
PDBbind
18-mer
4rqi
RCSB PDB
PDBbind
18-mer
4wrq
RCSB PDB
PDBbind
18-mer
4xh2
RCSB PDB
PDBbind
18-mer
5b4w
RCSB PDB
PDBbind
18-mer
5e2v
RCSB PDB
PDBbind
18-mer
5e2w
RCSB PDB
PDBbind
18-mer
5jek
RCSB PDB
PDBbind
18-mer
5mk1
RCSB PDB
PDBbind
18-mer
5mk3
RCSB PDB
PDBbind
18-mer
5ods
RCSB PDB
PDBbind
18-mer
5sve
RCSB PDB
PDBbind
18-mer
5t90
RCSB PDB
PDBbind
18-mer
5uwi
RCSB PDB
PDBbind
18-mer
5v3r
RCSB PDB
PDBbind
18-mer
5wa1
RCSB PDB
PDBbind
18-mer
5xyf
RCSB PDB
PDBbind
18-mer
5yc2
RCSB PDB
PDBbind
18-mer
5yv5
RCSB PDB
PDBbind
18-mer
6bhd
RCSB PDB
PDBbind
18-mer
6bhe
RCSB PDB
PDBbind
18-mer
6bhh
RCSB PDB
PDBbind
18-mer
6h41
RCSB PDB
PDBbind
18-mer
6jjz
RCSB PDB
PDBbind
18-mer
6iqg
RCSB PDB
PDBbind
18-mer
6esa
RCSB PDB
PDBbind
18-mer
6erw
RCSB PDB
PDBbind
18-mer
6erv
RCSB PDB
PDBbind
18-mer
6eru
RCSB PDB
PDBbind
18-mer
6em7
RCSB PDB
PDBbind
18-mer
6em6
RCSB PDB
PDBbind
18-mer
6eh2
RCSB PDB
PDBbind
18-mer
6egw
RCSB PDB
PDBbind
18-mer
5y53
RCSB PDB
PDBbind
18-mer
5szc
RCSB PDB
PDBbind
18-mer
5szb
RCSB PDB
PDBbind
18-mer
5ous
RCSB PDB
PDBbind
18-mer
5oua
RCSB PDB
PDBbind
18-mer
5ol3
RCSB PDB
PDBbind
18-mer
5ok3
RCSB PDB
PDBbind
18-mer
5o0e
RCSB PDB
PDBbind
18-mer
5nw8
RCSB PDB
PDBbind
18-mer
6ema
RCSB PDB
PDBbind
18-mer
6sen
RCSB PDB
PDBbind
18-mer
6seo
RCSB PDB
PDBbind
18-mer
Entry Information
PDB ID
1guw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
heterochromatin protein 1 (HP1)
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.9uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
(2002) Nature Vol. 416: pp. 103
Ligand Properties
Formula
C
7
6
H
1
4
4
N
2
8
O
2
4
Molecular Weight
1834.130
Exact Mass
1833.090
No. of atoms
272
No. of bonds
272
Polar Surface Area
843.4
LOGP Value
-8.72 (
Computed with XLOGP3
)
-12.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 25
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 83
No. of Nitrogen and Oxygen Atoms: 52
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O)C)NC(=O)CNC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH+](C)C)CCC(=O)N)C)CCC[NH+]=C(N)N)CCCC[NH+](C)C)CO
InChI String
InChI=1S/C76H138N28O24/c1-39(78)61(115)93-49(24-18-30-85-76(82)83)67(121)101-60(44(6)108)73(127)97-47(22-13-16-32-103(9)10)64(118)96-50(26-27-53(79)109)68(122)100-59(43(5)107)72(126)90-40(2)62(116)94-48(23-17-29-84-75(80)81)65(119)95-46(21-12-15-31-102(7)8)66(120)98-51(38-105)69(123)99-58(42(4)106)71(125)89-35-54(110)86-36-56(112)92-45(20-11-14-28-77)63(117)91-41(3)74(128)104-33-19-25-52(104)70(124)88-34-55(111)87-37-57(113)114/h39-52,58-60,105-108H,11-38,77-78H2,1-10H3,(H2,79,109)(H,86,110)(H,87,111)(H,88,124)(H,89,125)(H,90,126)(H,91,117)(H,92,112)(H,93,115)(H,94,116)(H,95,119)(H,96,118)(H,97,127)(H,98,120)(H,99,123)(H,100,122)(H,101,121)(H,113,114)(H4,80,81,84)(H4,82,83,85)/p+6/t39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-,60-/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):
P83917
P68433
Entrez Gene ID
NCBI Entrez Gene ID:
12412
319152
319153
360198
97908
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com