Browse entries in the PDBbind-CN Database
HEADER 6PVU_COMPLEX COMPND 6PVU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET P A 0S 24 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 -13.798 4.470 9.468 1.00 41.94 N ATOM 2 CA LYS A 1 -13.818 3.704 10.709 1.00 40.87 C ATOM 3 C LYS A 1 -14.904 2.627 10.683 1.00 37.34 C ATOM 4 O LYS A 1 -16.069 2.899 10.995 1.00 35.64 O ATOM 5 CB LYS A 1 -14.021 4.633 11.906 1.00 41.76 C ATOM 6 HN3 LYS A 1 -14.719 4.933 9.333 1.00 0.00 H ATOM 7 HN2 LYS A 1 -13.610 3.830 8.670 1.00 0.00 H ATOM 8 HN1 LYS A 1 -13.051 5.191 9.519 1.00 0.00 H ATOM 9 N GLU A 2 -14.515 1.411 10.292 1.00 35.79 N ATOM 10 CA GLU A 2 -15.410 0.260 10.351 1.00 31.29 C ATOM 11 C GLU A 2 -15.545 -0.188 11.800 1.00 24.73 C ATOM 12 O GLU A 2 -14.541 -0.482 12.460 1.00 26.31 O ATOM 13 CB GLU A 2 -14.877 -0.884 9.484 1.00 26.64 C ATOM 14 CG GLU A 2 -15.804 -2.102 9.428 1.00 24.42 C ATOM 15 CD GLU A 2 -15.252 -3.268 8.608 1.00 19.99 C ATOM 16 OE1 GLU A 2 -14.069 -3.641 8.764 1.00 21.65 O ATOM 17 OE2 GLU A 2 -16.022 -3.820 7.795 1.00 20.93 O ATOM 18 H GLU A 2 -13.547 1.281 9.935 1.00 0.00 H ATOM 19 N THR A 3 -16.778 -0.237 12.298 1.00 24.44 N ATOM 20 CA THR A 3 -16.994 -0.698 13.661 1.00 23.56 C ATOM 21 C THR A 3 -16.834 -2.214 13.737 1.00 21.48 C ATOM 22 O THR A 3 -16.819 -2.921 12.727 1.00 18.70 O ATOM 23 CB THR A 3 -18.387 -0.315 14.164 1.00 23.17 C ATOM 24 OG1 THR A 3 -19.387 -0.976 13.376 1.00 24.28 O ATOM 25 CG2 THR A 3 -18.599 1.192 14.105 1.00 27.12 C ATOM 26 HG1 THR A 3 -20.286 -0.724 13.706 1.00 0.00 H ATOM 27 H THR A 3 -17.587 0.054 11.713 1.00 0.00 H ATOM 28 N ALA A 4 -16.715 -2.708 14.969 1.00 20.84 N ATOM 29 CA ALA A 4 -16.646 -4.148 15.185 1.00 18.37 C ATOM 30 C ALA A 4 -17.924 -4.829 14.708 1.00 17.19 C ATOM 31 O ALA A 4 -17.885 -5.913 14.108 1.00 15.84 O ATOM 32 CB ALA A 4 -16.424 -4.417 16.672 1.00 17.49 C ATOM 33 H ALA A 4 -16.671 -2.061 15.782 1.00 0.00 H ATOM 34 N ALA A 5 -19.073 -4.204 14.956 1.00 16.16 N ATOM 35 CA ALA A 5 -20.331 -4.795 14.517 1.00 16.36 C ATOM 36 C ALA A 5 -20.407 -4.847 12.995 1.00 16.86 C ATOM 37 O ALA A 5 -20.854 -5.848 12.428 1.00 14.32 O ATOM 38 CB ALA A 5 -21.513 -4.026 15.113 1.00 18.71 C ATOM 39 H ALA A 5 -19.073 -3.295 15.462 1.00 0.00 H ATOM 40 N ALA A 6 -19.963 -3.781 12.316 1.00 16.42 N ATOM 41 CA ALA A 6 -19.947 -3.791 10.856 1.00 16.63 C ATOM 42 C ALA A 6 -18.958 -4.815 10.315 1.00 15.21 C ATOM 43 O ALA A 6 -19.219 -5.462 9.297 1.00 15.47 O ATOM 44 CB ALA A 6 -19.578 -2.400 10.349 1.00 18.79 C ATOM 45 H ALA A 6 -19.628 -2.942 12.831 1.00 0.00 H ATOM 46 N LYS A 7 -17.818 -4.969 10.974 1.00 14.78 N ATOM 47 CA LYS A 7 -16.841 -5.965 10.550 1.00 13.08 C ATOM 48 C LYS A 7 -17.418 -7.376 10.634 1.00 15.48 C ATOM 49 O LYS A 7 -17.232 -8.188 9.722 1.00 14.73 O ATOM 50 CB LYS A 7 -15.578 -5.841 11.398 1.00 17.32 C ATOM 51 CG LYS A 7 -14.511 -6.790 10.976 1.00 16.70 C ATOM 52 CD LYS A 7 -13.242 -6.581 11.764 1.00 21.43 C ATOM 53 CE LYS A 7 -12.149 -7.480 11.235 1.00 22.84 C ATOM 54 NZ LYS A 7 -10.910 -7.359 12.059 1.00 31.01 N ATOM 55 HZ1 LYS A 7 -10.574 -6.375 12.035 1.00 0.00 H ATOM 56 HZ2 LYS A 7 -11.120 -7.631 13.041 1.00 0.00 H ATOM 57 HZ3 LYS A 7 -10.176 -7.987 11.673 1.00 0.00 H ATOM 58 H LYS A 7 -17.618 -4.373 11.802 1.00 0.00 H ATOM 59 N PHE A 8 -18.143 -7.683 11.715 1.00 12.96 N ATOM 60 CA PHE A 8 -18.807 -8.983 11.808 1.00 12.22 C ATOM 61 C PHE A 8 -19.801 -9.186 10.664 1.00 12.60 C ATOM 62 O PHE A 8 -19.866 -10.270 10.068 1.00 11.77 O ATOM 63 CB PHE A 8 -19.505 -9.116 13.166 1.00 12.26 C ATOM 64 CG PHE A 8 -20.279 -10.389 13.306 1.00 10.43 C ATOM 65 CD1 PHE A 8 -21.601 -10.462 12.880 1.00 11.84 C ATOM 66 CD2 PHE A 8 -19.682 -11.517 13.845 1.00 11.29 C ATOM 67 CE1 PHE A 8 -22.318 -11.639 12.974 1.00 11.65 C ATOM 68 CE2 PHE A 8 -20.405 -12.702 13.960 1.00 10.88 C ATOM 69 CZ PHE A 8 -21.718 -12.765 13.528 1.00 9.96 C ATOM 70 H PHE A 8 -18.235 -6.996 12.491 1.00 0.00 H ATOM 71 N GLU A 9 -20.604 -8.165 10.358 1.00 12.29 N ATOM 72 CA GLU A 9 -21.520 -8.278 9.224 1.00 12.13 C ATOM 73 C GLU A 9 -20.776 -8.541 7.914 1.00 13.46 C ATOM 74 O GLU A 9 -21.187 -9.403 7.131 1.00 12.22 O ATOM 75 CB GLU A 9 -22.389 -7.027 9.121 1.00 14.63 C ATOM 76 CG GLU A 9 -23.278 -6.835 10.358 1.00 15.34 C ATOM 77 CD GLU A 9 -24.389 -5.830 10.134 1.00 17.42 C ATOM 78 OE1 GLU A 9 -24.860 -5.688 8.980 1.00 20.10 O ATOM 79 OE2 GLU A 9 -24.804 -5.167 11.113 1.00 16.77 O ATOM 80 H GLU A 9 -20.578 -7.293 10.924 1.00 0.00 H ATOM 81 N ARG A 10 -19.672 -7.828 7.671 1.00 12.18 N ATOM 82 CA ARG A 10 -18.915 -8.047 6.438 1.00 13.53 C ATOM 83 C ARG A 10 -18.301 -9.440 6.407 1.00 12.75 C ATOM 84 O ARG A 10 -18.325 -10.128 5.374 1.00 12.06 O ATOM 85 CB ARG A 10 -17.821 -6.979 6.298 1.00 13.63 C ATOM 86 CG ARG A 10 -16.884 -7.215 5.113 1.00 15.66 C ATOM 87 CD ARG A 10 -15.896 -6.080 4.953 1.00 15.42 C ATOM 88 NE ARG A 10 -15.070 -5.853 6.131 1.00 16.08 N ATOM 89 CZ ARG A 10 -13.946 -6.505 6.396 1.00 16.85 C ATOM 90 NH1 ARG A 10 -13.511 -7.454 5.573 1.00 17.74 N ATOM 91 NH2 ARG A 10 -13.257 -6.213 7.488 1.00 20.56 N ATOM 92 HE ARG A 10 -15.383 -5.131 6.810 1.00 0.00 H ATOM 93 HH12 ARG A 10 -12.629 -7.962 5.785 1.00 0.00 H ATOM 94 HH11 ARG A 10 -14.053 -7.688 4.717 1.00 0.00 H ATOM 95 HH22 ARG A 10 -12.375 -6.723 7.698 1.00 0.00 H ATOM 96 HH21 ARG A 10 -13.598 -5.474 8.136 1.00 0.00 H ATOM 97 H ARG A 10 -19.351 -7.117 8.359 1.00 0.00 H ATOM 98 N GLN A 11 -17.731 -9.874 7.522 1.00 12.04 N ATOM 99 CA GLN A 11 -16.989 -11.120 7.512 1.00 12.73 C ATOM 100 C GLN A 11 -17.886 -12.335 7.644 1.00 13.55 C ATOM 101 O GLN A 11 -17.474 -13.421 7.233 1.00 14.00 O ATOM 102 CB GLN A 11 -15.956 -11.122 8.638 1.00 13.18 C ATOM 103 CG GLN A 11 -14.905 -10.019 8.500 1.00 16.92 C ATOM 104 CD GLN A 11 -13.716 -10.242 9.410 1.00 21.44 C ATOM 105 OE1 GLN A 11 -13.876 -10.547 10.593 1.00 21.11 O ATOM 106 NE2 GLN A 11 -12.509 -10.101 8.860 1.00 22.96 N ATOM 107 HE22 GLN A 11 -12.422 -9.842 7.856 1.00 0.00 H ATOM 108 HE21 GLN A 11 -11.655 -10.250 9.435 1.00 0.00 H ATOM 109 H GLN A 11 -17.815 -9.323 8.400 1.00 0.00 H ATOM 110 N HIS A 12 -19.101 -12.181 8.188 1.00 10.88 N ATOM 111 CA HIS A 12 -19.852 -13.364 8.604 1.00 10.51 C ATOM 112 C HIS A 12 -21.314 -13.422 8.223 1.00 12.85 C ATOM 113 O HIS A 12 -21.911 -14.479 8.423 1.00 12.85 O ATOM 114 CB HIS A 12 -19.715 -13.601 10.117 1.00 10.54 C ATOM 115 CG HIS A 12 -18.303 -13.821 10.527 1.00 10.30 C ATOM 116 ND1 HIS A 12 -17.571 -14.905 10.095 1.00 11.40 N ATOM 117 CD2 HIS A 12 -17.469 -13.087 11.301 1.00 10.87 C ATOM 118 CE1 HIS A 12 -16.348 -14.830 10.584 1.00 12.86 C ATOM 119 NE2 HIS A 12 -16.252 -13.725 11.304 1.00 12.40 N ATOM 120 H HIS A 12 -19.505 -11.231 8.313 1.00 0.00 H ATOM 121 N MET A 13 -21.928 -12.354 7.732 1.00 12.58 N ATOM 122 CA MET A 13 -23.337 -12.375 7.388 1.00 12.40 C ATOM 123 C MET A 13 -23.514 -12.533 5.884 1.00 14.45 C ATOM 124 O MET A 13 -22.936 -11.772 5.102 1.00 15.24 O ATOM 125 CB MET A 13 -24.048 -11.103 7.844 1.00 12.42 C ATOM 126 CG MET A 13 -24.179 -10.976 9.382 1.00 14.22 C ATOM 127 SD MET A 13 -25.178 -12.296 10.137 1.00 13.78 S ATOM 128 CE MET A 13 -26.710 -12.195 9.224 1.00 13.00 C ATOM 129 H MET A 13 -21.385 -11.478 7.590 1.00 0.00 H ATOM 130 N ASP A 14 -24.360 -13.480 5.487 1.00 13.63 N ATOM 131 CA ASP A 14 -24.814 -13.500 4.094 1.00 14.15 C ATOM 132 C ASP A 14 -26.252 -14.018 4.062 1.00 13.04 C ATOM 133 O ASP A 14 -26.507 -15.172 3.703 1.00 14.51 O ATOM 134 CB ASP A 14 -23.921 -14.320 3.174 1.00 15.42 C ATOM 135 CG ASP A 14 -24.380 -14.248 1.750 1.00 20.06 C ATOM 136 OD1 ASP A 14 -25.092 -13.271 1.441 1.00 20.73 O ATOM 137 OD2 ASP A 14 -24.042 -15.156 0.973 1.00 22.69 O ATOM 138 H ASP A 14 -24.696 -14.199 6.159 1.00 0.00 H ATOM 139 N SER A 15 -27.185 -13.136 4.422 1.00 13.57 N ATOM 140 CA SER A 15 -28.602 -13.502 4.451 1.00 16.69 C ATOM 141 C SER A 15 -29.177 -13.733 3.059 1.00 21.83 C ATOM 142 O SER A 15 -30.234 -14.360 2.938 1.00 27.50 O ATOM 143 CB SER A 15 -29.436 -12.420 5.144 1.00 16.79 C ATOM 144 OG SER A 15 -28.891 -12.019 6.386 1.00 17.50 O ATOM 145 HG SER A 15 -28.844 -12.800 6.992 1.00 0.00 H ATOM 146 H SER A 15 -26.901 -12.171 4.687 1.00 0.00 H ATOM 147 N SER A 16 -28.511 -13.237 2.012 1.00 23.06 N ATOM 148 CA SER A 16 -29.109 -13.203 0.676 1.00 24.35 C ATOM 149 C SER A 16 -29.308 -14.595 0.085 1.00 30.52 C ATOM 150 O SER A 16 -30.284 -14.828 -0.638 1.00 30.78 O ATOM 151 CB SER A 16 -28.231 -12.363 -0.245 1.00 26.24 C ATOM 152 OG SER A 16 -28.932 -11.997 -1.404 1.00 32.15 O ATOM 153 HG SER A 16 -28.344 -11.453 -1.986 1.00 0.00 H ATOM 154 H SER A 16 -27.548 -12.868 2.149 1.00 0.00 H ATOM 155 N THR A 17 -28.398 -15.520 0.354 1.00 29.60 N ATOM 156 CA THR A 17 -28.527 -16.895 -0.099 1.00 31.69 C ATOM 157 C THR A 17 -28.938 -17.763 1.079 1.00 30.96 C ATOM 158 O THR A 17 -28.457 -17.566 2.197 1.00 27.50 O ATOM 159 CB THR A 17 -27.199 -17.405 -0.654 1.00 31.28 C ATOM 160 OG1 THR A 17 -26.131 -16.957 0.191 1.00 30.67 O ATOM 161 CG2 THR A 17 -26.979 -16.889 -2.077 1.00 33.20 C ATOM 162 HG1 THR A 17 -26.123 -15.967 0.215 1.00 0.00 H ATOM 163 H THR A 17 -27.561 -15.252 0.910 1.00 0.00 H ATOM 164 N SER A 18 -29.826 -18.726 0.819 1.00 33.29 N ATOM 165 CA SER A 18 -30.291 -19.630 1.861 1.00 29.83 C ATOM 166 C SER A 18 -29.254 -20.680 2.236 1.00 29.66 C ATOM 167 O SER A 18 -29.322 -21.218 3.349 1.00 24.51 O ATOM 168 CB SER A 18 -31.596 -20.313 1.433 1.00 36.61 C ATOM 169 OG SER A 18 -31.389 -21.168 0.318 1.00 38.61 O ATOM 170 HG SER A 18 -32.247 -21.593 0.066 1.00 0.00 H ATOM 171 H SER A 18 -30.193 -18.832 -0.148 1.00 0.00 H ATOM 172 N ALA A 19 -28.309 -20.977 1.343 1.00 27.31 N ATOM 173 CA ALA A 19 -27.271 -21.976 1.582 1.00 27.17 C ATOM 174 C ALA A 19 -26.076 -21.667 0.683 1.00 29.30 C ATOM 175 O ALA A 19 -26.112 -20.742 -0.135 1.00 36.82 O ATOM 176 CB ALA A 19 -27.809 -23.393 1.352 1.00 30.00 C ATOM 177 H ALA A 19 -28.311 -20.473 0.433 1.00 0.00 H ATOM 178 N ALA A 20 -25.003 -22.446 0.853 1.00 28.99 N ATOM 179 CA ALA A 20 -23.791 -22.312 0.049 1.00 30.84 C ATOM 180 C ALA A 20 -24.126 -22.372 -1.434 1.00 36.23 C ATOM 181 O ALA A 20 -24.316 -23.462 -1.989 1.00 41.04 O ATOM 182 CB ALA A 20 -22.793 -23.412 0.414 1.00 29.77 C ATOM 183 H ALA A 20 -25.033 -23.179 1.590 1.00 0.00 H ATOM 184 N SER A 21 -24.185 -21.198 -2.073 1.00 30.35 N ATOM 185 CA SER A 21 -24.798 -21.076 -3.394 1.00 36.95 C ATOM 186 C SER A 21 -24.247 -22.114 -4.354 1.00 34.58 C ATOM 187 O SER A 21 -25.001 -22.888 -4.958 1.00 41.54 O ATOM 188 CB SER A 21 -24.587 -19.662 -3.953 1.00 34.60 C ATOM 189 OG SER A 21 -23.397 -19.556 -4.733 1.00 32.20 O ATOM 190 HG SER A 21 -23.306 -18.629 -5.070 1.00 0.00 H ATOM 191 H SER A 21 -23.785 -20.352 -1.619 1.00 0.00 H ATOM 192 N SER A 22 -22.929 -22.170 -4.477 1.00 27.54 N ATOM 193 CA SER A 22 -22.309 -23.076 -5.424 1.00 25.41 C ATOM 194 C SER A 22 -20.943 -23.483 -4.899 1.00 26.39 C ATOM 195 O SER A 22 -20.482 -23.004 -3.856 1.00 24.16 O ATOM 196 CB SER A 22 -22.190 -22.427 -6.801 1.00 25.60 C ATOM 197 OG SER A 22 -21.242 -21.379 -6.782 1.00 28.04 O ATOM 198 HG SER A 22 -21.182 -20.974 -7.683 1.00 0.00 H ATOM 199 H SER A 22 -22.332 -21.556 -3.887 1.00 0.00 H ATOM 200 N SER A 23 -20.287 -24.367 -5.653 1.00 23.05 N ATOM 201 CA SER A 23 -18.934 -24.783 -5.321 1.00 23.73 C ATOM 202 C SER A 23 -17.949 -23.627 -5.402 1.00 18.40 C ATOM 203 O SER A 23 -16.861 -23.720 -4.836 1.00 24.57 O ATOM 204 CB SER A 23 -18.497 -25.909 -6.258 1.00 21.52 C ATOM 205 OG SER A 23 -18.741 -25.564 -7.618 1.00 18.02 O ATOM 206 HG SER A 23 -18.233 -24.745 -7.846 1.00 0.00 H ATOM 207 H SER A 23 -20.752 -24.766 -6.493 1.00 0.00 H ATOM 208 N ASN A 24 -18.313 -22.537 -6.074 1.00 24.97 N ATOM 209 CA ASN A 24 -17.461 -21.363 -6.192 1.00 25.09 C ATOM 210 C ASN A 24 -17.802 -20.287 -5.165 1.00 21.70 C ATOM 211 O ASN A 24 -17.207 -19.205 -5.204 1.00 19.72 O ATOM 212 CB ASN A 24 -17.577 -20.790 -7.612 1.00 28.67 C ATOM 213 CG ASN A 24 -16.281 -20.158 -8.113 1.00 30.78 C ATOM 214 OD1 ASN A 24 -15.177 -20.612 -7.794 1.00 31.77 O ATOM 215 ND2 ASN A 24 -16.417 -19.113 -8.930 1.00 31.12 N ATOM 216 HD22 ASN A 24 -17.366 -18.763 -9.173 1.00 0.00 H ATOM 217 HD21 ASN A 24 -15.574 -18.648 -9.324 1.00 0.00 H ATOM 218 H ASN A 24 -19.246 -22.524 -6.534 1.00 0.00 H ATOM 219 N TYR A 25 -18.767 -20.557 -4.272 1.00 21.85 N ATOM 220 CA TYR A 25 -19.279 -19.532 -3.364 1.00 21.83 C ATOM 221 C TYR A 25 -18.172 -18.951 -2.495 1.00 14.75 C ATOM 222 O TYR A 25 -17.999 -17.727 -2.425 1.00 17.14 O ATOM 223 CB TYR A 25 -20.388 -20.128 -2.494 1.00 21.96 C ATOM 224 CG TYR A 25 -20.881 -19.226 -1.379 1.00 20.80 C ATOM 225 CD1 TYR A 25 -21.905 -18.310 -1.601 1.00 21.37 C ATOM 226 CD2 TYR A 25 -20.325 -19.299 -0.102 1.00 18.62 C ATOM 227 CE1 TYR A 25 -22.372 -17.488 -0.580 1.00 22.66 C ATOM 228 CE2 TYR A 25 -20.778 -18.481 0.915 1.00 18.09 C ATOM 229 CZ TYR A 25 -21.802 -17.585 0.679 1.00 18.87 C ATOM 230 OH TYR A 25 -22.263 -16.757 1.685 1.00 18.40 O ATOM 231 HH TYR A 25 -22.993 -16.188 1.334 1.00 0.00 H ATOM 232 H TYR A 25 -19.160 -21.519 -4.225 1.00 0.00 H ATOM 233 N CYS A 26 -17.412 -19.818 -1.828 1.00 17.01 N ATOM 234 CA CYS A 26 -16.346 -19.321 -0.963 1.00 15.21 C ATOM 235 C CYS A 26 -15.279 -18.582 -1.757 1.00 15.84 C ATOM 236 O CYS A 26 -14.775 -17.548 -1.311 1.00 15.23 O ATOM 237 CB CYS A 26 -15.739 -20.456 -0.156 1.00 14.88 C ATOM 238 SG CYS A 26 -16.846 -21.041 1.162 1.00 15.35 S ATOM 239 H CYS A 26 -17.577 -20.841 -1.923 1.00 0.00 H ATOM 240 N ASN A 27 -14.924 -19.093 -2.942 1.00 16.41 N ATOM 241 CA ASN A 27 -13.941 -18.387 -3.756 1.00 16.99 C ATOM 242 C ASN A 27 -14.376 -16.956 -4.033 1.00 17.92 C ATOM 243 O ASN A 27 -13.568 -16.029 -3.943 1.00 20.00 O ATOM 244 CB ASN A 27 -13.710 -19.116 -5.077 1.00 17.82 C ATOM 245 CG ASN A 27 -12.965 -20.398 -4.896 1.00 19.06 C ATOM 246 OD1 ASN A 27 -12.193 -20.553 -3.945 1.00 18.06 O ATOM 247 ND2 ASN A 27 -13.172 -21.338 -5.816 1.00 23.60 N ATOM 248 HD22 ASN A 27 -13.832 -21.162 -6.600 1.00 0.00 H ATOM 249 HD21 ASN A 27 -12.673 -22.248 -5.751 1.00 0.00 H ATOM 250 H ASN A 27 -15.344 -19.983 -3.278 1.00 0.00 H ATOM 251 N GLN A 28 -15.649 -16.757 -4.385 1.00 17.81 N ATOM 252 CA GLN A 28 -16.126 -15.414 -4.677 1.00 18.91 C ATOM 253 C GLN A 28 -16.313 -14.593 -3.406 1.00 17.78 C ATOM 254 O GLN A 28 -15.919 -13.423 -3.363 1.00 17.55 O ATOM 255 CB GLN A 28 -17.431 -15.485 -5.475 1.00 23.22 C ATOM 256 CG GLN A 28 -17.227 -15.883 -6.932 1.00 24.75 C ATOM 257 CD GLN A 28 -18.438 -16.568 -7.531 1.00 32.17 C ATOM 258 OE1 GLN A 28 -18.377 -17.106 -8.640 1.00 35.16 O ATOM 259 NE2 GLN A 28 -19.549 -16.552 -6.798 1.00 31.72 N ATOM 260 HE22 GLN A 28 -19.552 -16.086 -5.868 1.00 0.00 H ATOM 261 HE21 GLN A 28 -20.414 -17.006 -7.155 1.00 0.00 H ATOM 262 H GLN A 28 -16.301 -17.564 -4.451 1.00 0.00 H ATOM 263 N MET A 29 -16.890 -15.199 -2.358 1.00 18.44 N ATOM 264 CA MET A 29 -17.263 -14.435 -1.170 1.00 18.37 C ATOM 265 C MET A 29 -16.061 -14.067 -0.314 1.00 17.00 C ATOM 266 O MET A 29 -16.000 -12.960 0.235 1.00 16.78 O ATOM 267 CB MET A 29 -18.266 -15.231 -0.342 1.00 16.58 C ATOM 268 CG MET A 29 -19.645 -15.272 -0.943 1.00 22.28 C ATOM 269 SD MET A 29 -20.465 -13.680 -0.793 1.00 23.31 S ATOM 270 CE MET A 29 -20.731 -13.609 0.977 1.00 18.55 C ATOM 271 H MET A 29 -17.074 -16.222 -2.391 1.00 0.00 H ATOM 272 N MET A 30 -15.091 -14.974 -0.182 1.00 15.38 N ATOM 273 CA MET A 30 -13.882 -14.597 0.546 1.00 14.73 C ATOM 274 C MET A 30 -13.203 -13.391 -0.101 1.00 18.01 C ATOM 275 O MET A 30 -12.684 -12.520 0.600 1.00 18.53 O ATOM 276 CB MET A 30 -12.930 -15.790 0.670 1.00 15.35 C ATOM 277 CG MET A 30 -13.530 -16.959 1.442 1.00 13.01 C ATOM 278 SD MET A 30 -13.787 -16.561 3.186 1.00 12.50 S ATOM 279 CE MET A 30 -12.078 -16.356 3.709 1.00 16.09 C ATOM 280 H MET A 30 -15.193 -15.926 -0.588 1.00 0.00 H ATOM 281 N LYS A 31 -13.238 -13.309 -1.436 1.00 19.03 N ATOM 282 CA LYS A 31 -12.645 -12.165 -2.127 1.00 19.82 C ATOM 283 C LYS A 31 -13.490 -10.904 -1.958 1.00 18.89 C ATOM 284 O LYS A 31 -12.970 -9.842 -1.586 1.00 19.55 O ATOM 285 CB LYS A 31 -12.453 -12.503 -3.605 1.00 19.76 C ATOM 286 CG LYS A 31 -11.970 -11.334 -4.469 1.00 25.45 C ATOM 287 CD LYS A 31 -10.546 -10.909 -4.127 1.00 27.35 C ATOM 288 CE LYS A 31 -9.975 -9.939 -5.172 1.00 31.90 C ATOM 289 NZ LYS A 31 -10.561 -8.575 -5.067 1.00 36.70 N ATOM 290 HZ1 LYS A 31 -11.590 -8.629 -5.209 1.00 0.00 H ATOM 291 HZ2 LYS A 31 -10.360 -8.184 -4.124 1.00 0.00 H ATOM 292 HZ3 LYS A 31 -10.141 -7.962 -5.794 1.00 0.00 H ATOM 293 H LYS A 31 -13.691 -14.066 -1.987 1.00 0.00 H ATOM 294 N SER A 32 -14.802 -11.006 -2.207 1.00 19.25 N ATOM 295 CA SER A 32 -15.637 -9.809 -2.253 1.00 19.31 C ATOM 296 C SER A 32 -15.853 -9.195 -0.876 1.00 18.07 C ATOM 297 O SER A 32 -16.108 -7.992 -0.770 1.00 22.13 O ATOM 298 CB SER A 32 -16.978 -10.110 -2.913 1.00 20.39 C ATOM 299 OG SER A 32 -17.693 -11.115 -2.217 1.00 22.06 O ATOM 300 HG SER A 32 -17.159 -11.948 -2.203 1.00 0.00 H ATOM 301 H SER A 32 -15.228 -11.941 -2.368 1.00 0.00 H ATOM 302 N ARG A 33 -15.774 -9.991 0.181 1.00 17.66 N ATOM 303 CA ARG A 33 -15.861 -9.462 1.533 1.00 17.63 C ATOM 304 C ARG A 33 -14.504 -9.032 2.074 1.00 17.66 C ATOM 305 O ARG A 33 -14.376 -8.798 3.279 1.00 18.18 O ATOM 306 CB ARG A 33 -16.500 -10.494 2.467 1.00 15.28 C ATOM 307 CG ARG A 33 -17.920 -10.872 2.068 1.00 15.18 C ATOM 308 CD ARG A 33 -18.831 -9.644 2.024 1.00 14.90 C ATOM 309 NE ARG A 33 -20.211 -10.038 1.761 1.00 14.91 N ATOM 310 CZ ARG A 33 -21.093 -10.403 2.695 1.00 14.78 C ATOM 311 NH1 ARG A 33 -20.740 -10.413 3.982 1.00 13.56 N ATOM 312 NH2 ARG A 33 -22.325 -10.761 2.346 1.00 15.83 N ATOM 313 HE ARG A 33 -20.532 -10.034 0.772 1.00 0.00 H ATOM 314 HH12 ARG A 33 -21.428 -10.698 4.708 1.00 0.00 H ATOM 315 HH11 ARG A 33 -19.777 -10.136 4.259 1.00 0.00 H ATOM 316 HH22 ARG A 33 -23.010 -11.045 3.075 1.00 0.00 H ATOM 317 HH21 ARG A 33 -22.603 -10.757 1.344 1.00 0.00 H ATOM 318 H ARG A 33 -15.647 -11.014 0.041 1.00 0.00 H ATOM 319 N ASN A 34 -13.482 -8.948 1.213 1.00 21.21 N ATOM 320 CA ASN A 34 -12.169 -8.415 1.576 1.00 22.71 C ATOM 321 C ASN A 34 -11.407 -9.309 2.541 1.00 22.61 C ATOM 322 O ASN A 34 -10.600 -8.821 3.331 1.00 27.43 O ATOM 323 CB ASN A 34 -12.242 -6.986 2.125 1.00 22.60 C ATOM 324 CG ASN A 34 -12.628 -5.970 1.073 1.00 29.33 C ATOM 325 OD1 ASN A 34 -13.295 -6.290 0.085 1.00 32.68 O ATOM 326 ND2 ASN A 34 -12.214 -4.726 1.287 1.00 29.97 N ATOM 327 HD22 ASN A 34 -11.654 -4.503 2.134 1.00 0.00 H ATOM 328 HD21 ASN A 34 -12.450 -3.975 0.607 1.00 0.00 H ATOM 329 H ASN A 34 -13.629 -9.278 0.238 1.00 0.00 H ATOM 330 N LEU A 35 -11.633 -10.620 2.490 1.00 20.65 N ATOM 331 CA LEU A 35 -10.926 -11.557 3.350 1.00 20.31 C ATOM 332 C LEU A 35 -9.732 -12.195 2.658 1.00 21.76 C ATOM 333 O LEU A 35 -9.121 -13.107 3.223 1.00 21.90 O ATOM 334 CB LEU A 35 -11.881 -12.641 3.849 1.00 20.19 C ATOM 335 CG LEU A 35 -13.228 -12.060 4.302 1.00 20.15 C ATOM 336 CD1 LEU A 35 -14.153 -13.153 4.771 1.00 18.84 C ATOM 337 CD2 LEU A 35 -13.011 -11.039 5.398 1.00 21.84 C ATOM 338 H LEU A 35 -12.336 -10.985 1.816 1.00 0.00 H ATOM 339 N THR A 36 -9.405 -11.745 1.441 1.00 22.47 N ATOM 340 CA THR A 36 -8.216 -12.189 0.721 1.00 25.73 C ATOM 341 C THR A 36 -7.344 -11.013 0.294 1.00 28.02 C ATOM 342 O THR A 36 -6.440 -11.188 -0.529 1.00 28.42 O ATOM 343 CB THR A 36 -8.574 -13.043 -0.500 1.00 22.47 C ATOM 344 OG1 THR A 36 -9.215 -12.229 -1.493 1.00 22.08 O ATOM 345 CG2 THR A 36 -9.485 -14.219 -0.124 1.00 23.64 C ATOM 346 HG1 THR A 36 -10.041 -11.837 -1.114 1.00 0.00 H ATOM 347 H THR A 36 -10.027 -11.046 0.987 1.00 0.00 H ATOM 348 N LYS A 37 -7.596 -9.821 0.838 1.00 29.44 N ATOM 349 CA LYS A 37 -6.894 -8.620 0.385 1.00 33.24 C ATOM 350 C LYS A 37 -5.418 -8.644 0.774 1.00 33.05 C ATOM 351 O LYS A 37 -4.543 -8.404 -0.074 1.00 37.03 O ATOM 352 CB LYS A 37 -7.588 -7.369 0.942 1.00 34.01 C ATOM 353 CG LYS A 37 -6.995 -6.035 0.486 1.00 39.81 C ATOM 354 CD LYS A 37 -7.965 -4.887 0.766 1.00 39.86 C ATOM 355 CE LYS A 37 -8.788 -4.515 -0.464 1.00 41.70 C ATOM 356 NZ LYS A 37 -7.981 -3.804 -1.494 1.00 48.25 N ATOM 357 HZ1 LYS A 37 -7.597 -2.927 -1.087 1.00 0.00 H ATOM 358 HZ2 LYS A 37 -7.199 -4.416 -1.803 1.00 0.00 H ATOM 359 HZ3 LYS A 37 -8.586 -3.574 -2.308 1.00 0.00 H ATOM 360 H LYS A 37 -8.303 -9.744 1.597 1.00 0.00 H ATOM 361 N ASP A 38 -5.117 -8.924 2.048 1.00 33.79 N ATOM 362 CA ASP A 38 -3.739 -8.867 2.517 1.00 35.04 C ATOM 363 C ASP A 38 -3.099 -10.250 2.574 1.00 35.01 C ATOM 364 O ASP A 38 -1.865 -10.356 2.652 1.00 33.94 O ATOM 365 CB ASP A 38 -3.681 -8.221 3.900 1.00 38.17 C ATOM 366 CG ASP A 38 -3.887 -6.710 3.848 1.00 43.56 C ATOM 367 OD1 ASP A 38 -4.327 -6.151 4.873 1.00 46.80 O ATOM 368 OD2 ASP A 38 -3.547 -6.080 2.829 1.00 45.25 O ATOM 369 H ASP A 38 -5.875 -9.185 2.710 1.00 0.00 H ATOM 370 N ARG A 39 -3.904 -11.315 2.470 1.00 31.06 N ATOM 371 CA ARG A 39 -3.512 -12.670 2.833 1.00 27.79 C ATOM 372 C ARG A 39 -4.745 -13.532 2.598 1.00 26.82 C ATOM 373 O ARG A 39 -5.862 -13.006 2.564 1.00 26.48 O ATOM 374 CB ARG A 39 -3.150 -12.668 4.316 1.00 29.95 C ATOM 375 CG ARG A 39 -2.610 -13.972 4.860 1.00 31.83 C ATOM 376 CD ARG A 39 -2.879 -14.066 6.365 1.00 34.61 C ATOM 377 NE ARG A 39 -4.221 -13.614 6.726 1.00 35.90 N ATOM 378 CZ ARG A 39 -4.866 -13.995 7.826 1.00 35.47 C ATOM 379 NH1 ARG A 39 -4.294 -14.842 8.668 1.00 37.32 N ATOM 380 NH2 ARG A 39 -6.088 -13.538 8.084 1.00 36.61 N ATOM 381 HE ARG A 39 -4.702 -12.953 6.083 1.00 0.00 H ATOM 382 HH12 ARG A 39 -4.797 -15.140 9.528 1.00 0.00 H ATOM 383 HH11 ARG A 39 -3.341 -15.209 8.469 1.00 0.00 H ATOM 384 HH22 ARG A 39 -6.585 -13.841 8.946 1.00 0.00 H ATOM 385 HH21 ARG A 39 -6.546 -12.878 7.424 1.00 0.00 H ATOM 386 H ARG A 39 -4.867 -11.166 2.108 1.00 0.00 H ATOM 387 N CYS A 40 -4.578 -14.836 2.415 1.00 23.71 N ATOM 388 CA CYS A 40 -5.736 -15.721 2.324 1.00 20.63 C ATOM 389 C CYS A 40 -6.172 -16.043 3.746 1.00 22.68 C ATOM 390 O CYS A 40 -5.484 -16.785 4.454 1.00 22.84 O ATOM 391 CB CYS A 40 -5.396 -17.017 1.594 1.00 19.32 C ATOM 392 SG CYS A 40 -4.754 -16.875 -0.097 1.00 19.93 S ATOM 393 H CYS A 40 -3.618 -15.229 2.336 1.00 0.00 H ATOM 394 N LYS A 41 -7.303 -15.491 4.176 1.00 21.45 N ATOM 395 CA LYS A 41 -7.824 -15.887 5.474 1.00 21.17 C ATOM 396 C LYS A 41 -8.054 -17.395 5.460 1.00 18.73 C ATOM 397 O LYS A 41 -8.770 -17.895 4.580 1.00 16.62 O ATOM 398 CB LYS A 41 -9.119 -15.159 5.807 1.00 21.56 C ATOM 399 CG LYS A 41 -9.616 -15.515 7.180 1.00 20.90 C ATOM 400 CD LYS A 41 -10.765 -14.636 7.628 1.00 18.51 C ATOM 401 CE LYS A 41 -11.108 -14.996 9.074 1.00 20.78 C ATOM 402 NZ LYS A 41 -12.304 -14.306 9.591 1.00 23.09 N ATOM 403 HZ1 LYS A 41 -12.152 -13.278 9.556 1.00 0.00 H ATOM 404 HZ2 LYS A 41 -13.127 -14.556 9.006 1.00 0.00 H ATOM 405 HZ3 LYS A 41 -12.474 -14.599 10.574 1.00 0.00 H ATOM 406 H LYS A 41 -7.805 -14.790 3.595 1.00 0.00 H ATOM 407 N PRO A 42 -7.465 -18.150 6.382 1.00 18.85 N ATOM 408 CA PRO A 42 -7.511 -19.617 6.262 1.00 22.02 C ATOM 409 C PRO A 42 -8.905 -20.228 6.373 1.00 21.40 C ATOM 410 O PRO A 42 -9.243 -21.125 5.592 1.00 22.79 O ATOM 411 CB PRO A 42 -6.566 -20.091 7.378 1.00 22.97 C ATOM 412 CG PRO A 42 -5.692 -18.920 7.656 1.00 24.34 C ATOM 413 CD PRO A 42 -6.536 -17.707 7.435 1.00 22.84 C ATOM 414 N VAL A 43 -9.721 -19.790 7.330 1.00 19.08 N ATOM 415 CA VAL A 43 -11.057 -20.343 7.527 1.00 16.76 C ATOM 416 C VAL A 43 -12.024 -19.216 7.853 1.00 16.17 C ATOM 417 O VAL A 43 -11.650 -18.221 8.485 1.00 17.59 O ATOM 418 CB VAL A 43 -11.102 -21.404 8.647 1.00 22.14 C ATOM 419 CG1 VAL A 43 -10.277 -22.638 8.273 1.00 21.38 C ATOM 420 CG2 VAL A 43 -10.605 -20.811 9.937 1.00 23.57 C ATOM 421 H VAL A 43 -9.395 -19.028 7.958 1.00 0.00 H ATOM 422 N ASN A 44 -13.283 -19.390 7.441 1.00 15.43 N ATOM 423 CA ASN A 44 -14.283 -18.361 7.693 1.00 13.70 C ATOM 424 C ASN A 44 -15.672 -18.930 7.473 1.00 12.61 C ATOM 425 O ASN A 44 -15.876 -19.718 6.548 1.00 17.13 O ATOM 426 CB ASN A 44 -14.079 -17.174 6.757 1.00 14.40 C ATOM 427 CG ASN A 44 -14.905 -15.986 7.154 1.00 13.61 C ATOM 428 OD1 ASN A 44 -14.613 -15.329 8.156 1.00 15.94 O ATOM 429 ND2 ASN A 44 -15.948 -15.694 6.378 1.00 12.51 N ATOM 430 HD22 ASN A 44 -16.154 -16.278 5.543 1.00 0.00 H ATOM 431 HD21 ASN A 44 -16.556 -14.882 6.608 1.00 0.00 H ATOM 432 H ASN A 44 -13.550 -20.261 6.940 1.00 0.00 H ATOM 433 N THR A 45 -16.628 -18.501 8.295 1.00 12.32 N ATOM 434 CA THR A 45 -18.006 -18.961 8.206 1.00 10.83 C ATOM 435 C THR A 45 -18.949 -17.807 7.896 1.00 11.33 C ATOM 436 O THR A 45 -18.841 -16.728 8.483 1.00 11.56 O ATOM 437 CB THR A 45 -18.414 -19.603 9.535 1.00 11.56 C ATOM 438 OG1 THR A 45 -17.575 -20.743 9.754 1.00 15.10 O ATOM 439 CG2 THR A 45 -19.892 -20.028 9.519 1.00 14.92 C ATOM 440 HG1 THR A 45 -17.695 -21.387 9.012 1.00 0.00 H ATOM 441 H THR A 45 -16.380 -17.809 9.031 1.00 0.00 H ATOM 442 N PHE A 46 -19.877 -18.041 6.967 1.00 11.64 N ATOM 443 CA PHE A 46 -20.952 -17.112 6.645 1.00 10.56 C ATOM 444 C PHE A 46 -22.279 -17.694 7.104 1.00 12.03 C ATOM 445 O PHE A 46 -22.524 -18.898 6.950 1.00 12.81 O ATOM 446 CB PHE A 46 -21.027 -16.879 5.127 1.00 12.40 C ATOM 447 CG PHE A 46 -19.854 -16.137 4.584 1.00 13.15 C ATOM 448 CD1 PHE A 46 -19.762 -14.766 4.735 1.00 15.08 C ATOM 449 CD2 PHE A 46 -18.824 -16.810 3.943 1.00 13.15 C ATOM 450 CE1 PHE A 46 -18.657 -14.061 4.237 1.00 15.02 C ATOM 451 CE2 PHE A 46 -17.724 -16.107 3.441 1.00 14.83 C ATOM 452 CZ PHE A 46 -17.648 -14.739 3.589 1.00 14.17 C ATOM 453 H PHE A 46 -19.831 -18.938 6.443 1.00 0.00 H ATOM 454 N VAL A 47 -23.127 -16.837 7.670 1.00 10.46 N ATOM 455 CA VAL A 47 -24.403 -17.240 8.253 1.00 11.58 C ATOM 456 C VAL A 47 -25.533 -16.765 7.351 1.00 11.37 C ATOM 457 O VAL A 47 -25.632 -15.569 7.045 1.00 12.31 O ATOM 458 CB VAL A 47 -24.571 -16.710 9.686 1.00 9.42 C ATOM 459 CG1 VAL A 47 -25.915 -17.199 10.275 1.00 10.89 C ATOM 460 CG2 VAL A 47 -23.403 -17.157 10.557 1.00 11.58 C ATOM 461 H VAL A 47 -22.867 -15.830 7.698 1.00 0.00 H ATOM 462 N HIS A 48 -26.409 -17.701 6.964 1.00 11.75 N ATOM 463 CA HIS A 48 -27.543 -17.424 6.075 1.00 13.44 C ATOM 464 C HIS A 48 -28.844 -17.368 6.863 1.00 15.10 C ATOM 465 O HIS A 48 -29.752 -18.183 6.696 1.00 16.27 O ATOM 466 CB HIS A 48 -27.653 -18.491 4.992 1.00 14.76 C ATOM 467 CG HIS A 48 -26.369 -18.782 4.289 1.00 14.92 C ATOM 468 ND1 HIS A 48 -25.670 -17.827 3.584 1.00 17.42 N ATOM 469 CD2 HIS A 48 -25.665 -19.933 4.170 1.00 15.02 C ATOM 470 CE1 HIS A 48 -24.581 -18.377 3.072 1.00 17.02 C ATOM 471 NE2 HIS A 48 -24.562 -19.657 3.404 1.00 16.14 N ATOM 472 H HIS A 48 -26.279 -18.673 7.311 1.00 0.00 H ATOM 473 N GLU A 49 -28.898 -16.393 7.747 1.00 15.28 N ATOM 474 CA GLU A 49 -30.090 -16.072 8.499 1.00 12.71 C ATOM 475 C GLU A 49 -30.189 -14.563 8.526 1.00 13.90 C ATOM 476 O GLU A 49 -29.235 -13.857 8.182 1.00 14.25 O ATOM 477 CB GLU A 49 -30.005 -16.615 9.935 1.00 14.77 C ATOM 478 CG GLU A 49 -29.769 -18.112 10.022 1.00 13.37 C ATOM 479 CD GLU A 49 -30.948 -18.935 9.515 1.00 16.10 C ATOM 480 OE1 GLU A 49 -32.060 -18.384 9.383 1.00 18.79 O ATOM 481 OE2 GLU A 49 -30.773 -20.151 9.278 1.00 16.01 O ATOM 482 H GLU A 49 -28.041 -15.827 7.912 1.00 0.00 H ATOM 483 N SER A 50 -31.351 -14.063 8.931 1.00 13.84 N ATOM 484 CA SER A 50 -31.539 -12.622 8.997 1.00 13.83 C ATOM 485 C SER A 50 -30.600 -12.006 10.024 1.00 16.40 C ATOM 486 O SER A 50 -30.176 -12.653 10.987 1.00 13.58 O ATOM 487 CB SER A 50 -32.985 -12.282 9.353 1.00 15.51 C ATOM 488 OG SER A 50 -33.258 -12.518 10.731 1.00 15.17 O ATOM 489 HG SER A 50 -34.201 -12.287 10.924 1.00 0.00 H ATOM 490 H SER A 50 -32.126 -14.702 9.201 1.00 0.00 H ATOM 491 N LEU A 51 -30.255 -10.739 9.803 1.00 13.34 N ATOM 492 CA LEU A 51 -29.448 -10.028 10.783 1.00 13.96 C ATOM 493 C LEU A 51 -30.123 -10.025 12.147 1.00 14.93 C ATOM 494 O LEU A 51 -29.467 -10.220 13.175 1.00 12.95 O ATOM 495 CB LEU A 51 -29.174 -8.596 10.308 1.00 16.34 C ATOM 496 CG LEU A 51 -28.269 -7.781 11.235 1.00 18.25 C ATOM 497 CD1 LEU A 51 -26.904 -8.436 11.347 1.00 16.98 C ATOM 498 CD2 LEU A 51 -28.138 -6.334 10.748 1.00 17.91 C ATOM 499 H LEU A 51 -30.561 -10.259 8.933 1.00 0.00 H ATOM 500 N ALA A 52 -31.437 -9.825 12.184 1.00 14.74 N ATOM 501 CA ALA A 52 -32.115 -9.808 13.473 1.00 14.40 C ATOM 502 C ALA A 52 -31.982 -11.149 14.184 1.00 13.70 C ATOM 503 O ALA A 52 -31.781 -11.197 15.409 1.00 15.57 O ATOM 504 CB ALA A 52 -33.581 -9.411 13.285 1.00 17.57 C ATOM 505 H ALA A 52 -31.973 -9.683 11.304 1.00 0.00 H ATOM 506 N ASP A 53 -32.058 -12.254 13.438 1.00 12.44 N ATOM 507 CA ASP A 53 -31.956 -13.565 14.080 1.00 11.90 C ATOM 508 C ASP A 53 -30.547 -13.800 14.621 1.00 12.27 C ATOM 509 O ASP A 53 -30.377 -14.421 15.678 1.00 11.62 O ATOM 510 CB ASP A 53 -32.340 -14.682 13.104 1.00 14.61 C ATOM 511 CG ASP A 53 -33.843 -14.900 13.014 1.00 18.71 C ATOM 512 OD1 ASP A 53 -34.603 -14.216 13.723 1.00 20.99 O ATOM 513 OD2 ASP A 53 -34.262 -15.751 12.203 1.00 20.45 O ATOM 514 H ASP A 53 -32.189 -12.183 12.409 1.00 0.00 H ATOM 515 N VAL A 54 -29.521 -13.319 13.915 1.00 12.43 N ATOM 516 CA VAL A 54 -28.157 -13.496 14.403 1.00 10.24 C ATOM 517 C VAL A 54 -27.885 -12.573 15.587 1.00 10.77 C ATOM 518 O VAL A 54 -27.269 -12.978 16.584 1.00 10.61 O ATOM 519 CB VAL A 54 -27.154 -13.326 13.245 1.00 10.21 C ATOM 520 CG1 VAL A 54 -25.701 -13.351 13.765 1.00 10.62 C ATOM 521 CG2 VAL A 54 -27.382 -14.419 12.236 1.00 10.71 C ATOM 522 H VAL A 54 -29.693 -12.819 13.019 1.00 0.00 H ATOM 523 N GLN A 55 -28.358 -11.332 15.522 1.00 13.75 N ATOM 524 CA GLN A 55 -28.196 -10.431 16.655 1.00 13.11 C ATOM 525 C GLN A 55 -28.890 -10.971 17.900 1.00 11.97 C ATOM 526 O GLN A 55 -28.421 -10.753 19.026 1.00 12.91 O ATOM 527 CB GLN A 55 -28.748 -9.054 16.284 1.00 14.31 C ATOM 528 CG GLN A 55 -27.947 -8.341 15.201 1.00 12.44 C ATOM 529 CD GLN A 55 -28.624 -7.056 14.756 1.00 14.55 C ATOM 530 OE1 GLN A 55 -29.857 -6.956 14.776 1.00 17.00 O ATOM 531 NE2 GLN A 55 -27.823 -6.066 14.361 1.00 15.29 N ATOM 532 HE22 GLN A 55 -26.792 -6.200 14.362 1.00 0.00 H ATOM 533 HE21 GLN A 55 -28.230 -5.160 14.052 1.00 0.00 H ATOM 534 H GLN A 55 -28.843 -11.005 14.662 1.00 0.00 H ATOM 535 N ALA A 56 -30.004 -11.672 17.719 1.00 11.69 N ATOM 536 CA ALA A 56 -30.740 -12.187 18.868 1.00 11.89 C ATOM 537 C ALA A 56 -29.963 -13.266 19.601 1.00 11.69 C ATOM 538 O ALA A 56 -30.281 -13.560 20.754 1.00 12.15 O ATOM 539 CB ALA A 56 -32.087 -12.747 18.423 1.00 13.54 C ATOM 540 H ALA A 56 -30.352 -11.854 16.756 1.00 0.00 H ATOM 541 N VAL A 57 -28.958 -13.865 18.961 1.00 11.24 N ATOM 542 CA VAL A 57 -28.159 -14.873 19.641 1.00 11.32 C ATOM 543 C VAL A 57 -27.464 -14.284 20.855 1.00 10.42 C ATOM 544 O VAL A 57 -27.168 -15.011 21.811 1.00 10.82 O ATOM 545 CB VAL A 57 -27.188 -15.546 18.640 1.00 9.24 C ATOM 546 CG1 VAL A 57 -26.278 -16.576 19.332 1.00 10.33 C ATOM 547 CG2 VAL A 57 -27.969 -16.224 17.536 1.00 11.02 C ATOM 548 H VAL A 57 -28.745 -13.611 17.975 1.00 0.00 H ATOM 549 N CYS A 58 -27.217 -12.976 20.865 1.00 9.46 N ATOM 550 CA CYS A 58 -26.543 -12.362 22.007 1.00 11.10 C ATOM 551 C CYS A 58 -27.366 -12.410 23.290 1.00 11.55 C ATOM 552 O CYS A 58 -26.826 -12.083 24.355 1.00 12.06 O ATOM 553 CB CYS A 58 -26.211 -10.902 21.706 1.00 11.62 C ATOM 554 SG CYS A 58 -25.000 -10.663 20.388 1.00 11.62 S ATOM 555 H CYS A 58 -27.505 -12.389 20.057 1.00 0.00 H ATOM 556 N SER A 59 -28.648 -12.787 23.218 1.00 12.98 N ATOM 557 CA SER A 59 -29.478 -12.989 24.404 1.00 10.82 C ATOM 558 C SER A 59 -29.861 -14.453 24.590 1.00 12.24 C ATOM 559 O SER A 59 -30.756 -14.763 25.374 1.00 12.36 O ATOM 560 CB SER A 59 -30.726 -12.108 24.357 1.00 15.93 C ATOM 561 OG SER A 59 -31.457 -12.337 23.176 1.00 22.94 O ATOM 562 HG SER A 59 -30.889 -12.128 22.392 1.00 0.00 H ATOM 563 H SER A 59 -29.071 -12.942 22.281 1.00 0.00 H ATOM 564 N GLN A 60 -29.169 -15.365 23.907 1.00 10.63 N ATOM 565 CA GLN A 60 -29.450 -16.790 23.994 1.00 11.18 C ATOM 566 C GLN A 60 -28.471 -17.492 24.942 1.00 11.81 C ATOM 567 O GLN A 60 -28.201 -16.955 26.019 1.00 14.15 O ATOM 568 CB GLN A 60 -29.576 -17.373 22.580 1.00 10.61 C ATOM 569 CG GLN A 60 -30.736 -16.635 21.848 1.00 9.22 C ATOM 570 CD GLN A 60 -30.976 -17.079 20.422 1.00 12.49 C ATOM 571 OE1 GLN A 60 -30.512 -18.132 19.966 1.00 11.53 O ATOM 572 NE2 GLN A 60 -31.732 -16.261 19.693 1.00 14.62 N ATOM 573 HE22 GLN A 60 -32.104 -15.385 20.112 1.00 0.00 H ATOM 574 HE21 GLN A 60 -31.951 -16.498 18.704 1.00 0.00 H ATOM 575 H GLN A 60 -28.397 -15.045 23.287 1.00 0.00 H ATOM 576 N LYS A 61 -27.950 -18.673 24.593 1.00 10.81 N ATOM 577 CA LYS A 61 -27.286 -19.514 25.600 1.00 10.18 C ATOM 578 C LYS A 61 -25.861 -19.027 25.846 1.00 10.73 C ATOM 579 O LYS A 61 -25.010 -19.120 24.961 1.00 10.62 O ATOM 580 CB LYS A 61 -27.274 -20.985 25.198 1.00 10.45 C ATOM 581 CG LYS A 61 -26.668 -21.855 26.289 1.00 12.84 C ATOM 582 CD LYS A 61 -26.521 -23.286 25.816 1.00 18.42 C ATOM 583 CE LYS A 61 -25.822 -24.162 26.859 1.00 19.97 C ATOM 584 NZ LYS A 61 -25.605 -25.531 26.296 1.00 24.08 N ATOM 585 HZ1 LYS A 61 -26.523 -25.952 26.048 1.00 0.00 H ATOM 586 HZ2 LYS A 61 -25.011 -25.464 25.445 1.00 0.00 H ATOM 587 HZ3 LYS A 61 -25.130 -26.125 27.005 1.00 0.00 H ATOM 588 H LYS A 61 -28.015 -18.997 23.607 1.00 0.00 H ATOM 589 N ASN A 62 -25.577 -18.542 27.043 1.00 12.52 N ATOM 590 CA ASN A 62 -24.225 -18.090 27.359 1.00 9.92 C ATOM 591 C ASN A 62 -23.294 -19.292 27.519 1.00 11.21 C ATOM 592 O ASN A 62 -23.595 -20.232 28.271 1.00 13.75 O ATOM 593 CB ASN A 62 -24.287 -17.252 28.646 1.00 11.67 C ATOM 594 CG ASN A 62 -23.000 -16.486 28.956 1.00 14.81 C ATOM 595 OD1 ASN A 62 -22.728 -16.211 30.127 1.00 16.54 O ATOM 596 ND2 ASN A 62 -22.227 -16.114 27.935 1.00 13.41 N ATOM 597 HD22 ASN A 62 -22.493 -16.367 26.962 1.00 0.00 H ATOM 598 HD21 ASN A 62 -21.358 -15.571 28.112 1.00 0.00 H ATOM 599 H ASN A 62 -26.323 -18.482 27.765 1.00 0.00 H ATOM 600 N VAL A 63 -22.178 -19.266 26.775 1.00 9.77 N ATOM 601 CA VAL A 63 -21.165 -20.317 26.793 1.00 10.49 C ATOM 602 C VAL A 63 -19.780 -19.678 26.829 1.00 10.82 C ATOM 603 O VAL A 63 -19.593 -18.532 26.428 1.00 11.29 O ATOM 604 CB VAL A 63 -21.263 -21.281 25.586 1.00 10.20 C ATOM 605 CG1 VAL A 63 -22.625 -22.012 25.541 1.00 11.99 C ATOM 606 CG2 VAL A 63 -21.038 -20.530 24.279 1.00 10.12 C ATOM 607 H VAL A 63 -22.026 -18.450 26.149 1.00 0.00 H ATOM 608 N ALA A 64 -18.788 -20.447 27.274 1.00 9.62 N ATOM 609 CA ALA A 64 -17.432 -19.915 27.280 1.00 8.43 C ATOM 610 C ALA A 64 -16.926 -19.778 25.847 1.00 10.21 C ATOM 611 O ALA A 64 -17.181 -20.636 25.000 1.00 10.63 O ATOM 612 CB ALA A 64 -16.505 -20.835 28.082 1.00 11.59 C ATOM 613 H ALA A 64 -18.978 -21.412 27.612 1.00 0.00 H ATOM 614 N CYS A 65 -16.220 -18.683 25.576 1.00 10.22 N ATOM 615 CA CYS A 65 -15.525 -18.498 24.306 1.00 8.16 C ATOM 616 C CYS A 65 -14.260 -19.335 24.274 1.00 9.50 C ATOM 617 O CYS A 65 -13.665 -19.630 25.310 1.00 10.20 O ATOM 618 CB CYS A 65 -15.068 -17.046 24.146 1.00 9.84 C ATOM 619 SG CYS A 65 -16.402 -15.822 24.245 1.00 10.77 S ATOM 620 H CYS A 65 -16.161 -17.933 26.294 1.00 0.00 H ATOM 621 N LYS A 66 -13.811 -19.657 23.056 1.00 9.62 N ATOM 622 CA LYS A 66 -12.582 -20.434 22.914 1.00 9.45 C ATOM 623 C LYS A 66 -11.395 -19.745 23.563 1.00 9.78 C ATOM 624 O LYS A 66 -10.469 -20.421 24.043 1.00 12.46 O ATOM 625 CB LYS A 66 -12.279 -20.690 21.446 1.00 10.23 C ATOM 626 CG LYS A 66 -13.150 -21.775 20.843 1.00 10.38 C ATOM 627 CD LYS A 66 -12.901 -21.886 19.367 1.00 17.60 C ATOM 628 CE LYS A 66 -13.733 -23.005 18.763 1.00 17.84 C ATOM 629 NZ LYS A 66 -13.510 -23.066 17.286 1.00 25.43 N ATOM 630 HZ1 LYS A 66 -13.789 -22.161 16.857 1.00 0.00 H ATOM 631 HZ2 LYS A 66 -12.503 -23.246 17.096 1.00 0.00 H ATOM 632 HZ3 LYS A 66 -14.083 -23.834 16.882 1.00 0.00 H ATOM 633 H LYS A 66 -14.336 -19.355 22.211 1.00 0.00 H ATOM 634 N ASN A 67 -11.414 -18.417 23.633 1.00 11.74 N ATOM 635 CA ASN A 67 -10.306 -17.706 24.261 1.00 11.79 C ATOM 636 C ASN A 67 -10.434 -17.571 25.768 1.00 11.29 C ATOM 637 O ASN A 67 -9.590 -16.909 26.379 1.00 14.87 O ATOM 638 CB ASN A 67 -10.135 -16.325 23.624 1.00 11.85 C ATOM 639 CG ASN A 67 -11.308 -15.392 23.898 1.00 12.90 C ATOM 640 OD1 ASN A 67 -12.220 -15.712 24.655 1.00 11.30 O ATOM 641 ND2 ASN A 67 -11.276 -14.211 23.276 1.00 15.74 N ATOM 642 HD22 ASN A 67 -10.485 -13.978 22.642 1.00 0.00 H ATOM 643 HD21 ASN A 67 -12.042 -13.524 23.425 1.00 0.00 H ATOM 644 H ASN A 67 -12.218 -17.886 23.241 1.00 0.00 H ATOM 645 N GLY A 68 -11.478 -18.130 26.380 1.00 9.20 N ATOM 646 CA GLY A 68 -11.647 -18.101 27.810 1.00 10.10 C ATOM 647 C GLY A 68 -12.461 -16.942 28.333 1.00 11.59 C ATOM 648 O GLY A 68 -12.767 -16.899 29.534 1.00 13.12 O ATOM 649 H GLY A 68 -12.199 -18.606 25.802 1.00 0.00 H ATOM 650 N GLN A 69 -12.812 -15.999 27.470 1.00 11.50 N ATOM 651 CA GLN A 69 -13.748 -14.969 27.851 1.00 11.25 C ATOM 652 C GLN A 69 -15.136 -15.576 27.994 1.00 13.26 C ATOM 653 O GLN A 69 -15.398 -16.697 27.550 1.00 12.26 O ATOM 654 CB GLN A 69 -13.761 -13.862 26.799 1.00 12.23 C ATOM 655 CG GLN A 69 -12.416 -13.143 26.687 1.00 13.61 C ATOM 656 CD GLN A 69 -12.049 -12.381 27.946 1.00 16.93 C ATOM 657 OE1 GLN A 69 -11.121 -12.755 28.673 1.00 19.58 O ATOM 658 NE2 GLN A 69 -12.771 -11.290 28.205 1.00 14.16 N ATOM 659 HE22 GLN A 69 -13.543 -11.013 27.565 1.00 0.00 H ATOM 660 HE21 GLN A 69 -12.562 -10.716 29.047 1.00 0.00 H ATOM 661 H GLN A 69 -12.410 -16.002 26.511 1.00 0.00 H ATOM 662 N THR A 70 -16.026 -14.826 28.624 1.00 10.74 N ATOM 663 CA THR A 70 -17.348 -15.330 28.980 1.00 10.04 C ATOM 664 C THR A 70 -18.468 -14.777 28.112 1.00 11.83 C ATOM 665 O THR A 70 -19.634 -15.117 28.343 1.00 14.50 O ATOM 666 CB THR A 70 -17.656 -15.059 30.458 1.00 14.41 C ATOM 667 OG1 THR A 70 -17.676 -13.645 30.694 1.00 15.54 O ATOM 668 CG2 THR A 70 -16.583 -15.681 31.337 1.00 14.39 C ATOM 669 HG1 THR A 70 -18.374 -13.227 30.130 1.00 0.00 H ATOM 670 H THR A 70 -15.775 -13.848 28.873 1.00 0.00 H ATOM 671 N ASN A 71 -18.162 -13.931 27.132 1.00 10.01 N ATOM 672 CA ASN A 71 -19.182 -13.212 26.373 1.00 9.51 C ATOM 673 C ASN A 71 -19.564 -13.918 25.086 1.00 9.79 C ATOM 674 O ASN A 71 -19.775 -13.270 24.060 1.00 10.52 O ATOM 675 CB ASN A 71 -18.729 -11.780 26.088 1.00 10.76 C ATOM 676 CG ASN A 71 -17.469 -11.701 25.246 1.00 9.71 C ATOM 677 OD1 ASN A 71 -16.462 -12.367 25.510 1.00 11.42 O ATOM 678 ND2 ASN A 71 -17.501 -10.840 24.245 1.00 11.11 N ATOM 679 HD22 ASN A 71 -18.367 -10.297 24.053 1.00 0.00 H ATOM 680 HD21 ASN A 71 -16.660 -10.705 23.648 1.00 0.00 H ATOM 681 H ASN A 71 -17.161 -13.776 26.898 1.00 0.00 H ATOM 682 N CYS A 72 -19.668 -15.241 25.091 1.00 8.62 N ATOM 683 CA CYS A 72 -20.086 -15.965 23.896 1.00 8.78 C ATOM 684 C CYS A 72 -21.457 -16.584 24.108 1.00 9.40 C ATOM 685 O CYS A 72 -21.869 -16.871 25.241 1.00 8.91 O ATOM 686 CB CYS A 72 -19.073 -17.044 23.493 1.00 7.93 C ATOM 687 SG CYS A 72 -17.611 -16.332 22.688 1.00 9.38 S ATOM 688 H CYS A 72 -19.448 -15.769 25.960 1.00 0.00 H ATOM 689 N TYR A 73 -22.181 -16.740 22.997 1.00 9.04 N ATOM 690 CA TYR A 73 -23.578 -17.124 23.030 1.00 9.97 C ATOM 691 C TYR A 73 -23.833 -18.113 21.915 1.00 8.70 C ATOM 692 O TYR A 73 -23.385 -17.897 20.785 1.00 9.68 O ATOM 693 CB TYR A 73 -24.475 -15.896 22.865 1.00 9.99 C ATOM 694 CG TYR A 73 -24.238 -14.938 23.985 1.00 8.64 C ATOM 695 CD1 TYR A 73 -23.235 -13.995 23.892 1.00 8.64 C ATOM 696 CD2 TYR A 73 -24.960 -15.036 25.186 1.00 10.63 C ATOM 697 CE1 TYR A 73 -22.933 -13.149 24.930 1.00 11.02 C ATOM 698 CE2 TYR A 73 -24.672 -14.180 26.243 1.00 10.37 C ATOM 699 CZ TYR A 73 -23.666 -13.233 26.097 1.00 9.72 C ATOM 700 OH TYR A 73 -23.338 -12.368 27.129 1.00 14.40 O ATOM 701 HH TYR A 73 -22.603 -11.772 26.837 1.00 0.00 H ATOM 702 H TYR A 73 -21.726 -16.580 22.075 1.00 0.00 H ATOM 703 N GLN A 74 -24.558 -19.176 22.245 1.00 8.25 N ATOM 704 CA GLN A 74 -24.889 -20.248 21.314 1.00 9.24 C ATOM 705 C GLN A 74 -26.362 -20.153 20.929 1.00 10.09 C ATOM 706 O GLN A 74 -27.228 -19.991 21.795 1.00 10.69 O ATOM 707 CB GLN A 74 -24.596 -21.601 21.955 1.00 9.99 C ATOM 708 CG GLN A 74 -24.878 -22.783 21.059 1.00 9.73 C ATOM 709 CD GLN A 74 -24.340 -24.068 21.644 1.00 13.13 C ATOM 710 OE1 GLN A 74 -23.198 -24.122 22.089 1.00 16.46 O ATOM 711 NE2 GLN A 74 -25.152 -25.104 21.649 1.00 16.52 N ATOM 712 HE22 GLN A 74 -26.113 -25.014 21.261 1.00 0.00 H ATOM 713 HE21 GLN A 74 -24.833 -26.013 22.041 1.00 0.00 H ATOM 714 H GLN A 74 -24.909 -19.247 23.221 1.00 0.00 H ATOM 715 N SER A 75 -26.644 -20.242 19.629 1.00 9.62 N ATOM 716 CA SER A 75 -28.025 -20.114 19.177 1.00 11.21 C ATOM 717 C SER A 75 -28.828 -21.321 19.642 1.00 13.05 C ATOM 718 O SER A 75 -28.338 -22.450 19.614 1.00 11.69 O ATOM 719 CB SER A 75 -28.073 -19.998 17.643 1.00 10.89 C ATOM 720 OG SER A 75 -27.575 -21.153 16.996 1.00 12.02 O ATOM 721 HG SER A 75 -28.118 -21.938 17.260 1.00 0.00 H ATOM 722 H SER A 75 -25.882 -20.402 18.940 1.00 0.00 H ATOM 723 N TYR A 76 -30.068 -21.076 20.094 1.00 11.85 N ATOM 724 CA TYR A 76 -30.917 -22.196 20.507 1.00 13.40 C ATOM 725 C TYR A 76 -31.369 -23.013 19.303 1.00 13.44 C ATOM 726 O TYR A 76 -31.487 -24.244 19.385 1.00 15.71 O ATOM 727 CB TYR A 76 -32.135 -21.692 21.275 1.00 14.32 C ATOM 728 CG TYR A 76 -31.816 -21.141 22.635 1.00 10.91 C ATOM 729 CD1 TYR A 76 -31.190 -21.936 23.601 1.00 11.96 C ATOM 730 CD2 TYR A 76 -32.148 -19.845 22.972 1.00 12.15 C ATOM 731 CE1 TYR A 76 -30.892 -21.430 24.847 1.00 10.68 C ATOM 732 CE2 TYR A 76 -31.856 -19.347 24.223 1.00 12.00 C ATOM 733 CZ TYR A 76 -31.235 -20.137 25.147 1.00 11.62 C ATOM 734 OH TYR A 76 -30.937 -19.630 26.393 1.00 13.21 O ATOM 735 HH TYR A 76 -30.333 -18.852 26.295 1.00 0.00 H ATOM 736 H TYR A 76 -30.423 -20.100 20.150 1.00 0.00 H ATOM 737 N SER A 77 -31.623 -22.359 18.178 1.00 16.29 N ATOM 738 CA SER A 77 -31.987 -23.072 16.965 1.00 15.06 C ATOM 739 C SER A 77 -30.776 -23.251 16.061 1.00 13.45 C ATOM 740 O SER A 77 -29.765 -22.543 16.179 1.00 14.98 O ATOM 741 CB SER A 77 -33.105 -22.337 16.234 1.00 18.05 C ATOM 742 OG SER A 77 -34.294 -22.378 17.014 1.00 20.64 O ATOM 743 HG SER A 77 -35.017 -21.900 16.536 1.00 0.00 H ATOM 744 H SER A 77 -31.561 -21.321 18.163 1.00 0.00 H ATOM 745 N THR A 78 -30.866 -24.240 15.174 1.00 15.59 N ATOM 746 CA THR A 78 -29.816 -24.358 14.177 1.00 15.94 C ATOM 747 C THR A 78 -29.997 -23.269 13.130 1.00 13.74 C ATOM 748 O THR A 78 -31.083 -22.712 12.940 1.00 17.18 O ATOM 749 CB THR A 78 -29.822 -25.727 13.494 1.00 17.27 C ATOM 750 OG1 THR A 78 -31.012 -25.868 12.708 1.00 21.65 O ATOM 751 CG2 THR A 78 -29.764 -26.830 14.525 1.00 20.41 C ATOM 752 HG1 THR A 78 -31.038 -25.157 12.020 1.00 0.00 H ATOM 753 H THR A 78 -31.663 -24.907 15.194 1.00 0.00 H ATOM 754 N MET A 79 -28.894 -22.936 12.477 1.00 12.44 N ATOM 755 CA MET A 79 -28.878 -21.909 11.454 1.00 12.99 C ATOM 756 C MET A 79 -28.158 -22.441 10.227 1.00 12.94 C ATOM 757 O MET A 79 -27.265 -23.290 10.322 1.00 13.46 O ATOM 758 CB MET A 79 -28.179 -20.653 11.966 1.00 12.45 C ATOM 759 CG MET A 79 -28.933 -19.994 13.098 1.00 12.48 C ATOM 760 SD MET A 79 -28.230 -18.388 13.481 1.00 14.44 S ATOM 761 CE MET A 79 -29.482 -17.780 14.575 1.00 14.76 C ATOM 762 H MET A 79 -28.007 -23.429 12.706 1.00 0.00 H ATOM 763 N SER A 80 -28.573 -21.946 9.059 1.00 13.52 N ATOM 764 CA SER A 80 -27.894 -22.299 7.819 1.00 15.79 C ATOM 765 C SER A 80 -26.579 -21.524 7.718 1.00 15.02 C ATOM 766 O SER A 80 -26.557 -20.303 7.886 1.00 14.08 O ATOM 767 CB SER A 80 -28.799 -21.938 6.647 1.00 17.99 C ATOM 768 OG SER A 80 -28.135 -22.132 5.410 1.00 18.30 O ATOM 769 HG SER A 80 -28.744 -21.890 4.668 1.00 0.00 H ATOM 770 H SER A 80 -29.389 -21.302 9.034 1.00 0.00 H ATOM 771 N ILE A 81 -25.477 -22.238 7.476 1.00 14.05 N ATOM 772 CA ILE A 81 -24.156 -21.619 7.423 1.00 14.48 C ATOM 773 C ILE A 81 -23.360 -22.200 6.269 1.00 15.14 C ATOM 774 O ILE A 81 -23.669 -23.268 5.737 1.00 16.74 O ATOM 775 CB ILE A 81 -23.341 -21.781 8.723 1.00 12.29 C ATOM 776 CG1 ILE A 81 -22.971 -23.257 8.934 1.00 16.70 C ATOM 777 CG2 ILE A 81 -24.120 -21.180 9.907 1.00 13.50 C ATOM 778 CD1 ILE A 81 -21.986 -23.500 10.068 1.00 19.71 C ATOM 779 H ILE A 81 -25.562 -23.263 7.321 1.00 0.00 H ATOM 780 N THR A 82 -22.301 -21.485 5.905 1.00 14.69 N ATOM 781 CA THR A 82 -21.340 -21.966 4.921 1.00 14.99 C ATOM 782 C THR A 82 -19.959 -21.808 5.521 1.00 15.27 C ATOM 783 O THR A 82 -19.576 -20.694 5.905 1.00 14.58 O ATOM 784 CB THR A 82 -21.439 -21.196 3.608 1.00 16.52 C ATOM 785 OG1 THR A 82 -22.708 -21.455 2.998 1.00 16.36 O ATOM 786 CG2 THR A 82 -20.330 -21.626 2.651 1.00 18.51 C ATOM 787 HG1 THR A 82 -23.432 -21.164 3.608 1.00 0.00 H ATOM 788 H THR A 82 -22.153 -20.551 6.337 1.00 0.00 H ATOM 789 N ASP A 83 -19.233 -22.918 5.638 1.00 16.35 N ATOM 790 CA ASP A 83 -17.844 -22.878 6.056 1.00 16.35 C ATOM 791 C ASP A 83 -16.959 -22.811 4.822 1.00 17.82 C ATOM 792 O ASP A 83 -17.186 -23.523 3.838 1.00 17.67 O ATOM 793 CB ASP A 83 -17.468 -24.116 6.873 1.00 20.19 C ATOM 794 CG ASP A 83 -18.160 -24.163 8.217 1.00 26.38 C ATOM 795 OD1 ASP A 83 -18.233 -23.115 8.895 1.00 25.27 O ATOM 796 OD2 ASP A 83 -18.614 -25.259 8.608 1.00 30.06 O ATOM 797 H ASP A 83 -19.672 -23.836 5.425 1.00 0.00 H ATOM 798 N CYS A 84 -15.963 -21.933 4.877 1.00 15.75 N ATOM 799 CA CYS A 84 -14.957 -21.808 3.835 1.00 15.11 C ATOM 800 C CYS A 84 -13.606 -22.196 4.408 1.00 20.05 C ATOM 801 O CYS A 84 -13.207 -21.687 5.459 1.00 17.90 O ATOM 802 CB CYS A 84 -14.888 -20.368 3.333 1.00 14.39 C ATOM 803 SG CYS A 84 -16.443 -19.775 2.685 1.00 13.59 S ATOM 804 H CYS A 84 -15.900 -21.306 5.704 1.00 0.00 H ATOM 805 N ARG A 85 -12.897 -23.082 3.713 1.00 19.77 N ATOM 806 CA ARG A 85 -11.582 -23.527 4.151 1.00 21.41 C ATOM 807 C ARG A 85 -10.631 -23.478 2.973 1.00 22.04 C ATOM 808 O ARG A 85 -10.956 -23.970 1.886 1.00 22.33 O ATOM 809 CB ARG A 85 -11.622 -24.954 4.714 1.00 27.30 C ATOM 810 CG ARG A 85 -10.274 -25.440 5.244 1.00 31.97 C ATOM 811 CD ARG A 85 -10.456 -26.589 6.228 1.00 35.44 C ATOM 812 NE ARG A 85 -11.479 -26.267 7.222 1.00 39.22 N ATOM 813 CZ ARG A 85 -11.236 -26.033 8.508 1.00 38.22 C ATOM 814 NH1 ARG A 85 -9.996 -26.093 8.978 1.00 37.45 N ATOM 815 NH2 ARG A 85 -12.239 -25.735 9.325 1.00 37.78 N ATOM 816 HE ARG A 85 -12.467 -26.218 6.900 1.00 0.00 H ATOM 817 HH12 ARG A 85 -9.812 -25.909 9.985 1.00 0.00 H ATOM 818 HH11 ARG A 85 -9.208 -26.324 8.339 1.00 0.00 H ATOM 819 HH22 ARG A 85 -12.053 -25.551 10.332 1.00 0.00 H ATOM 820 HH21 ARG A 85 -13.211 -25.685 8.958 1.00 0.00 H ATOM 821 H ARG A 85 -13.293 -23.467 2.832 1.00 0.00 H ATOM 822 N GLU A 86 -9.465 -22.886 3.198 1.00 23.20 N ATOM 823 CA GLU A 86 -8.479 -22.709 2.141 1.00 25.25 C ATOM 824 C GLU A 86 -7.947 -24.061 1.685 1.00 26.85 C ATOM 825 O GLU A 86 -7.558 -24.895 2.510 1.00 29.42 O ATOM 826 CB GLU A 86 -7.329 -21.849 2.658 1.00 25.38 C ATOM 827 CG GLU A 86 -6.681 -21.005 1.590 1.00 26.25 C ATOM 828 CD GLU A 86 -5.294 -20.529 1.966 1.00 21.91 C ATOM 829 OE1 GLU A 86 -4.608 -19.999 1.074 1.00 23.72 O ATOM 830 OE2 GLU A 86 -4.897 -20.668 3.147 1.00 24.05 O ATOM 831 H GLU A 86 -9.250 -22.539 4.155 1.00 0.00 H ATOM 832 N THR A 87 -7.933 -24.278 0.368 1.00 24.61 N ATOM 833 CA THR A 87 -7.390 -25.508 -0.192 1.00 28.10 C ATOM 834 C THR A 87 -5.880 -25.561 0.026 1.00 29.67 C ATOM 835 O THR A 87 -5.222 -24.550 0.293 1.00 30.57 O ATOM 836 CB THR A 87 -7.672 -25.605 -1.696 1.00 28.51 C ATOM 837 OG1 THR A 87 -6.901 -24.619 -2.395 1.00 28.61 O ATOM 838 CG2 THR A 87 -9.152 -25.394 -2.005 1.00 26.14 C ATOM 839 HG1 THR A 87 -7.149 -23.717 -2.071 1.00 0.00 H ATOM 840 H THR A 87 -8.318 -23.554 -0.272 1.00 0.00 H ATOM 841 N GLY A 88 -5.331 -26.773 -0.080 1.00 34.96 N ATOM 842 CA GLY A 88 -3.901 -26.941 0.107 1.00 34.31 C ATOM 843 C GLY A 88 -3.080 -26.326 -1.008 1.00 33.85 C ATOM 844 O GLY A 88 -1.934 -25.925 -0.788 1.00 35.15 O ATOM 845 H GLY A 88 -5.927 -27.597 -0.297 1.00 0.00 H ATOM 846 N SER A 89 -3.653 -26.237 -2.213 1.00 33.03 N ATOM 847 CA SER A 89 -2.970 -25.656 -3.362 1.00 33.93 C ATOM 848 C SER A 89 -3.169 -24.152 -3.469 1.00 32.30 C ATOM 849 O SER A 89 -2.544 -23.524 -4.330 1.00 32.81 O ATOM 850 CB SER A 89 -3.484 -26.298 -4.648 1.00 34.28 C ATOM 851 OG SER A 89 -4.888 -26.147 -4.753 1.00 39.74 O ATOM 852 HG SER A 89 -5.202 -26.569 -5.592 1.00 0.00 H ATOM 853 H SER A 89 -4.622 -26.596 -2.335 1.00 0.00 H ATOM 854 N SER A 90 -4.026 -23.568 -2.631 1.00 30.47 N ATOM 855 CA SER A 90 -4.289 -22.135 -2.674 1.00 27.15 C ATOM 856 C SER A 90 -3.022 -21.335 -2.388 1.00 26.60 C ATOM 857 O SER A 90 -2.355 -21.548 -1.373 1.00 27.71 O ATOM 858 CB SER A 90 -5.357 -21.800 -1.632 1.00 24.50 C ATOM 859 OG SER A 90 -5.441 -20.402 -1.394 1.00 21.55 O ATOM 860 HG SER A 90 -4.568 -20.072 -1.063 1.00 0.00 H ATOM 861 H SER A 90 -4.521 -24.152 -1.927 1.00 0.00 H ATOM 862 N LYS A 91 -2.694 -20.404 -3.288 1.00 24.86 N ATOM 863 CA LYS A 91 -1.550 -19.508 -3.124 1.00 25.32 C ATOM 864 C LYS A 91 -1.984 -18.076 -3.396 1.00 22.51 C ATOM 865 O LYS A 91 -2.437 -17.761 -4.500 1.00 24.28 O ATOM 866 CB LYS A 91 -0.374 -19.883 -4.042 1.00 28.71 C ATOM 867 CG LYS A 91 0.004 -21.353 -4.044 1.00 30.68 C ATOM 868 CD LYS A 91 0.389 -21.843 -2.659 1.00 33.82 C ATOM 869 CE LYS A 91 0.273 -23.363 -2.571 1.00 33.59 C ATOM 870 NZ LYS A 91 -0.582 -23.812 -1.428 1.00 35.14 N ATOM 871 HZ1 LYS A 91 -0.172 -23.471 -0.535 1.00 0.00 H ATOM 872 HZ2 LYS A 91 -1.541 -23.425 -1.541 1.00 0.00 H ATOM 873 HZ3 LYS A 91 -0.626 -24.851 -1.416 1.00 0.00 H ATOM 874 H LYS A 91 -3.278 -20.312 -4.143 1.00 0.00 H ATOM 875 N TYR A 92 -1.838 -17.222 -2.392 1.00 21.10 N ATOM 876 CA TYR A 92 -2.130 -15.804 -2.514 1.00 22.84 C ATOM 877 C TYR A 92 -1.403 -15.241 -3.731 1.00 24.52 C ATOM 878 O TYR A 92 -0.259 -15.636 -3.994 1.00 23.79 O ATOM 879 CB TYR A 92 -1.623 -15.103 -1.247 1.00 24.63 C ATOM 880 CG TYR A 92 -1.832 -13.606 -1.207 1.00 24.11 C ATOM 881 CD1 TYR A 92 -3.054 -13.060 -0.817 1.00 26.98 C ATOM 882 CD2 TYR A 92 -0.809 -12.734 -1.565 1.00 26.77 C ATOM 883 CE1 TYR A 92 -3.245 -11.692 -0.780 1.00 29.52 C ATOM 884 CE2 TYR A 92 -0.994 -11.365 -1.531 1.00 30.70 C ATOM 885 CZ TYR A 92 -2.211 -10.848 -1.136 1.00 32.13 C ATOM 886 OH TYR A 92 -2.400 -9.486 -1.101 1.00 33.62 O ATOM 887 HH TYR A 92 -3.322 -9.290 -0.798 1.00 0.00 H ATOM 888 H TYR A 92 -1.500 -17.583 -1.477 1.00 0.00 H ATOM 889 N PRO A 93 -2.016 -14.313 -4.489 1.00 24.89 N ATOM 890 CA PRO A 93 -3.328 -13.696 -4.242 1.00 27.43 C ATOM 891 C PRO A 93 -4.516 -14.499 -4.769 1.00 27.34 C ATOM 892 O PRO A 93 -5.649 -14.035 -4.634 1.00 27.09 O ATOM 893 CB PRO A 93 -3.232 -12.394 -5.031 1.00 26.65 C ATOM 894 CG PRO A 93 -2.419 -12.768 -6.215 1.00 28.40 C ATOM 895 CD PRO A 93 -1.394 -13.769 -5.710 1.00 27.05 C ATOM 896 N ASN A 94 -4.274 -15.661 -5.374 1.00 25.12 N ATOM 897 CA ASN A 94 -5.368 -16.475 -5.914 1.00 26.53 C ATOM 898 C ASN A 94 -5.845 -17.469 -4.856 1.00 22.80 C ATOM 899 O ASN A 94 -5.658 -18.683 -4.944 1.00 23.21 O ATOM 900 CB ASN A 94 -4.956 -17.156 -7.213 1.00 26.64 C ATOM 901 CG ASN A 94 -4.408 -16.183 -8.236 1.00 30.23 C ATOM 902 OD1 ASN A 94 -5.125 -15.312 -8.723 1.00 33.91 O ATOM 903 ND2 ASN A 94 -3.136 -16.339 -8.581 1.00 31.38 N ATOM 904 HD22 ASN A 94 -2.567 -17.091 -8.142 1.00 0.00 H ATOM 905 HD21 ASN A 94 -2.709 -15.710 -9.290 1.00 0.00 H ATOM 906 H ASN A 94 -3.294 -15.996 -5.465 1.00 0.00 H ATOM 907 N CYS A 95 -6.477 -16.918 -3.829 1.00 23.56 N ATOM 908 CA CYS A 95 -6.903 -17.735 -2.705 1.00 21.96 C ATOM 909 C CYS A 95 -8.036 -18.651 -3.149 1.00 19.90 C ATOM 910 O CYS A 95 -8.985 -18.205 -3.798 1.00 21.55 O ATOM 911 CB CYS A 95 -7.360 -16.833 -1.558 1.00 21.83 C ATOM 912 SG CYS A 95 -6.065 -15.664 -1.026 1.00 21.41 S ATOM 913 H CYS A 95 -6.669 -15.896 -3.828 1.00 0.00 H ATOM 914 N ALA A 96 -7.923 -19.930 -2.815 1.00 18.48 N ATOM 915 CA ALA A 96 -8.883 -20.947 -3.225 1.00 20.49 C ATOM 916 C ALA A 96 -9.432 -21.659 -1.997 1.00 18.36 C ATOM 917 O ALA A 96 -8.691 -21.950 -1.055 1.00 18.60 O ATOM 918 CB ALA A 96 -8.231 -21.974 -4.157 1.00 24.05 C ATOM 919 H ALA A 96 -7.111 -20.220 -2.233 1.00 0.00 H ATOM 920 N TYR A 97 -10.734 -21.948 -2.030 1.00 20.23 N ATOM 921 CA TYR A 97 -11.461 -22.425 -0.867 1.00 19.28 C ATOM 922 C TYR A 97 -12.424 -23.531 -1.261 1.00 20.61 C ATOM 923 O TYR A 97 -12.981 -23.530 -2.362 1.00 20.29 O ATOM 924 CB TYR A 97 -12.313 -21.294 -0.282 1.00 17.31 C ATOM 925 CG TYR A 97 -11.497 -20.209 0.323 1.00 15.47 C ATOM 926 CD1 TYR A 97 -11.056 -19.139 -0.439 1.00 16.95 C ATOM 927 CD2 TYR A 97 -11.127 -20.282 1.655 1.00 16.22 C ATOM 928 CE1 TYR A 97 -10.282 -18.146 0.111 1.00 15.70 C ATOM 929 CE2 TYR A 97 -10.343 -19.298 2.217 1.00 16.56 C ATOM 930 CZ TYR A 97 -9.928 -18.237 1.446 1.00 16.88 C ATOM 931 OH TYR A 97 -9.162 -17.238 2.000 1.00 15.54 O ATOM 932 HH TYR A 97 -8.319 -17.624 2.348 1.00 0.00 H ATOM 933 H TYR A 97 -11.249 -21.827 -2.925 1.00 0.00 H ATOM 934 N LYS A 98 -12.644 -24.449 -0.327 1.00 23.97 N ATOM 935 CA LYS A 98 -13.728 -25.419 -0.421 1.00 22.00 C ATOM 936 C LYS A 98 -14.968 -24.828 0.245 1.00 19.87 C ATOM 937 O LYS A 98 -14.869 -24.255 1.337 1.00 22.22 O ATOM 938 CB LYS A 98 -13.315 -26.694 0.311 1.00 21.09 C ATOM 939 CG LYS A 98 -11.891 -27.151 0.000 1.00 29.95 C ATOM 940 CD LYS A 98 -11.495 -28.419 0.758 1.00 32.01 C ATOM 941 CE LYS A 98 -11.076 -28.123 2.197 1.00 33.21 C ATOM 942 NZ LYS A 98 -9.638 -27.730 2.303 1.00 34.95 N ATOM 943 HZ1 LYS A 98 -9.041 -28.504 1.947 1.00 0.00 H ATOM 944 HZ2 LYS A 98 -9.471 -26.874 1.737 1.00 0.00 H ATOM 945 HZ3 LYS A 98 -9.404 -27.540 3.298 1.00 0.00 H ATOM 946 H LYS A 98 -12.019 -24.477 0.504 1.00 0.00 H ATOM 947 N THR A 99 -16.125 -24.948 -0.418 1.00 19.47 N ATOM 948 CA THR A 99 -17.392 -24.427 0.091 1.00 19.13 C ATOM 949 C THR A 99 -18.221 -25.563 0.682 1.00 24.02 C ATOM 950 O THR A 99 -18.616 -26.485 -0.043 1.00 21.29 O ATOM 951 CB THR A 99 -18.181 -23.764 -1.037 1.00 19.09 C ATOM 952 OG1 THR A 99 -17.463 -22.632 -1.525 1.00 19.51 O ATOM 953 CG2 THR A 99 -19.534 -23.305 -0.531 1.00 17.60 C ATOM 954 HG1 THR A 99 -16.582 -22.925 -1.868 1.00 0.00 H ATOM 955 H THR A 99 -16.122 -25.434 -1.337 1.00 0.00 H ATOM 956 N THR A 100 -18.510 -25.487 1.988 1.00 19.99 N ATOM 957 CA THR A 100 -19.304 -26.508 2.663 1.00 22.09 C ATOM 958 C THR A 100 -20.490 -25.897 3.388 1.00 20.07 C ATOM 959 O THR A 100 -20.324 -25.015 4.234 1.00 22.78 O ATOM 960 CB THR A 100 -18.490 -27.340 3.649 1.00 20.67 C ATOM 961 OG1 THR A 100 -17.319 -27.845 2.999 1.00 24.77 O ATOM 962 CG2 THR A 100 -19.322 -28.518 4.156 1.00 25.85 C ATOM 963 HG1 THR A 100 -16.770 -27.087 2.675 1.00 0.00 H ATOM 964 H THR A 100 -18.158 -24.677 2.537 1.00 0.00 H ATOM 965 N GLN A 101 -21.668 -26.415 3.100 1.00 22.40 N ATOM 966 CA GLN A 101 -22.906 -25.958 3.700 1.00 20.88 C ATOM 967 C GLN A 101 -23.223 -26.823 4.917 1.00 18.40 C ATOM 968 O GLN A 101 -22.906 -28.014 4.945 1.00 21.33 O ATOM 969 CB GLN A 101 -24.020 -26.075 2.661 1.00 23.54 C ATOM 970 CG GLN A 101 -25.378 -25.757 3.168 1.00 26.55 C ATOM 971 CD GLN A 101 -25.485 -24.338 3.654 1.00 23.03 C ATOM 972 OE1 GLN A 101 -24.761 -23.450 3.190 1.00 25.79 O ATOM 973 NE2 GLN A 101 -26.403 -24.104 4.589 1.00 21.54 N ATOM 974 HE22 GLN A 101 -26.989 -24.884 4.949 1.00 0.00 H ATOM 975 HE21 GLN A 101 -26.534 -23.141 4.960 1.00 0.00 H ATOM 976 H GLN A 101 -21.711 -27.190 2.408 1.00 0.00 H ATOM 977 N ALA A 102 -23.825 -26.214 5.938 1.00 18.01 N ATOM 978 CA ALA A 102 -24.178 -26.948 7.145 1.00 18.38 C ATOM 979 C ALA A 102 -25.354 -26.266 7.825 1.00 15.81 C ATOM 980 O ALA A 102 -25.681 -25.114 7.541 1.00 14.58 O ATOM 981 CB ALA A 102 -22.990 -27.040 8.113 1.00 21.50 C ATOM 982 H ALA A 102 -24.046 -25.200 5.872 1.00 0.00 H ATOM 983 N ASN A 103 -26.004 -27.003 8.721 1.00 16.69 N ATOM 984 CA ASN A 103 -27.034 -26.449 9.600 1.00 16.20 C ATOM 985 C ASN A 103 -26.614 -26.784 11.023 1.00 18.10 C ATOM 986 O ASN A 103 -26.706 -27.936 11.458 1.00 17.61 O ATOM 987 CB ASN A 103 -28.408 -27.009 9.254 1.00 17.60 C ATOM 988 CG ASN A 103 -28.832 -26.638 7.856 1.00 19.12 C ATOM 989 OD1 ASN A 103 -28.467 -27.306 6.888 1.00 26.10 O ATOM 990 ND2 ASN A 103 -29.576 -25.552 7.736 1.00 22.60 N ATOM 991 HD22 ASN A 103 -29.860 -25.020 8.583 1.00 0.00 H ATOM 992 HD21 ASN A 103 -29.877 -25.230 6.794 1.00 0.00 H ATOM 993 H ASN A 103 -25.771 -28.013 8.800 1.00 0.00 H ATOM 994 N LYS A 104 -26.137 -25.772 11.739 1.00 14.27 N ATOM 995 CA LYS A 104 -25.539 -25.963 13.047 1.00 13.73 C ATOM 996 C LYS A 104 -25.941 -24.793 13.929 1.00 13.33 C ATOM 997 O LYS A 104 -26.401 -23.753 13.447 1.00 13.55 O ATOM 998 CB LYS A 104 -24.006 -26.066 12.930 1.00 16.10 C ATOM 999 CG LYS A 104 -23.552 -27.358 12.227 1.00 18.90 C ATOM 1000 CD LYS A 104 -22.094 -27.354 11.826 1.00 24.65 C ATOM 1001 CE LYS A 104 -21.195 -27.787 12.966 1.00 26.62 C ATOM 1002 NZ LYS A 104 -19.827 -28.099 12.464 1.00 33.68 N ATOM 1003 HZ1 LYS A 104 -19.882 -28.868 11.766 1.00 0.00 H ATOM 1004 HZ2 LYS A 104 -19.422 -27.252 12.017 1.00 0.00 H ATOM 1005 HZ3 LYS A 104 -19.226 -28.394 13.260 1.00 0.00 H ATOM 1006 H LYS A 104 -26.194 -24.810 11.349 1.00 0.00 H ATOM 1007 N HIS A 105 -25.782 -24.979 15.239 1.00 14.26 N ATOM 1008 CA HIS A 105 -25.896 -23.868 16.163 1.00 12.55 C ATOM 1009 C HIS A 105 -24.615 -23.057 16.087 1.00 14.23 C ATOM 1010 O HIS A 105 -23.512 -23.620 16.052 1.00 16.90 O ATOM 1011 CB HIS A 105 -26.095 -24.382 17.589 1.00 14.89 C ATOM 1012 CG HIS A 105 -27.238 -25.345 17.713 1.00 14.64 C ATOM 1013 ND1 HIS A 105 -28.505 -24.953 18.084 1.00 15.89 N ATOM 1014 CD2 HIS A 105 -27.307 -26.678 17.485 1.00 18.66 C ATOM 1015 CE1 HIS A 105 -29.308 -26.004 18.082 1.00 17.31 C ATOM 1016 NE2 HIS A 105 -28.602 -27.064 17.733 1.00 19.89 N ATOM 1017 H HIS A 105 -25.574 -25.931 15.602 1.00 0.00 H ATOM 1018 N ILE A 106 -24.759 -21.759 16.037 1.00 11.48 N ATOM 1019 CA ILE A 106 -23.601 -20.877 15.959 1.00 10.94 C ATOM 1020 C ILE A 106 -23.255 -20.375 17.354 1.00 9.38 C ATOM 1021 O ILE A 106 -24.120 -20.248 18.238 1.00 9.28 O ATOM 1022 CB ILE A 106 -23.789 -19.714 14.963 1.00 9.58 C ATOM 1023 CG1 ILE A 106 -24.832 -18.709 15.463 1.00 10.35 C ATOM 1024 CG2 ILE A 106 -24.139 -20.246 13.569 1.00 13.10 C ATOM 1025 CD1 ILE A 106 -24.913 -17.420 14.651 1.00 11.81 C ATOM 1026 H ILE A 106 -25.715 -21.349 16.053 1.00 0.00 H ATOM 1027 N ILE A 107 -21.976 -20.061 17.552 1.00 8.51 N ATOM 1028 CA ILE A 107 -21.499 -19.423 18.782 1.00 8.33 C ATOM 1029 C ILE A 107 -20.820 -18.123 18.381 1.00 9.72 C ATOM 1030 O ILE A 107 -19.876 -18.144 17.589 1.00 10.39 O ATOM 1031 CB ILE A 107 -20.517 -20.318 19.561 1.00 9.07 C ATOM 1032 CG1 ILE A 107 -21.209 -21.635 19.928 1.00 9.94 C ATOM 1033 CG2 ILE A 107 -20.011 -19.591 20.818 1.00 9.17 C ATOM 1034 CD1 ILE A 107 -20.271 -22.667 20.583 1.00 11.33 C ATOM 1035 H ILE A 107 -21.288 -20.277 16.803 1.00 0.00 H ATOM 1036 N VAL A 108 -21.308 -17.004 18.905 1.00 8.00 N ATOM 1037 CA VAL A 108 -20.749 -15.690 18.607 1.00 8.45 C ATOM 1038 C VAL A 108 -20.366 -15.006 19.908 1.00 8.41 C ATOM 1039 O VAL A 108 -20.940 -15.277 20.967 1.00 9.77 O ATOM 1040 CB VAL A 108 -21.726 -14.791 17.807 1.00 9.78 C ATOM 1041 CG1 VAL A 108 -22.022 -15.379 16.408 1.00 10.44 C ATOM 1042 CG2 VAL A 108 -23.021 -14.545 18.581 1.00 10.42 C ATOM 1043 H VAL A 108 -22.120 -17.067 19.552 1.00 0.00 H ATOM 1044 N ALA A 109 -19.365 -14.133 19.833 1.00 8.35 N ATOM 1045 CA ALA A 109 -19.040 -13.245 20.947 1.00 8.03 C ATOM 1046 C ALA A 109 -19.746 -11.921 20.727 1.00 9.59 C ATOM 1047 O ALA A 109 -19.792 -11.414 19.603 1.00 11.03 O ATOM 1048 CB ALA A 109 -17.534 -12.976 21.032 1.00 10.19 C ATOM 1049 H ALA A 109 -18.801 -14.081 18.961 1.00 0.00 H ATOM 1050 N CYS A 110 -20.319 -11.371 21.792 1.00 9.74 N ATOM 1051 CA CYS A 110 -21.072 -10.129 21.693 1.00 9.27 C ATOM 1052 C CYS A 110 -20.463 -9.086 22.612 1.00 10.12 C ATOM 1053 O CYS A 110 -19.954 -9.413 23.687 1.00 9.88 O ATOM 1054 CB CYS A 110 -22.528 -10.370 22.109 1.00 9.87 C ATOM 1055 SG CYS A 110 -23.333 -11.606 21.077 1.00 10.81 S ATOM 1056 H CYS A 110 -20.228 -11.838 22.717 1.00 0.00 H ATOM 1057 N GLU A 111 -20.528 -7.819 22.183 1.00 9.90 N ATOM 1058 CA GLU A 111 -20.000 -6.692 22.946 1.00 9.97 C ATOM 1059 C GLU A 111 -20.824 -5.452 22.634 1.00 11.88 C ATOM 1060 O GLU A 111 -21.520 -5.390 21.617 1.00 12.47 O ATOM 1061 CB GLU A 111 -18.556 -6.377 22.558 1.00 10.46 C ATOM 1062 CG GLU A 111 -17.563 -7.437 22.973 1.00 12.18 C ATOM 1063 CD GLU A 111 -16.145 -7.071 22.657 1.00 19.46 C ATOM 1064 OE1 GLU A 111 -15.255 -7.631 23.323 1.00 22.55 O ATOM 1065 OE2 GLU A 111 -15.918 -6.253 21.740 1.00 22.52 O ATOM 1066 H GLU A 111 -20.975 -7.629 21.264 1.00 0.00 H ATOM 1067 N GLY A 112 -20.709 -4.453 23.516 1.00 11.17 N ATOM 1068 CA GLY A 112 -21.180 -3.106 23.243 1.00 12.51 C ATOM 1069 C GLY A 112 -22.580 -2.813 23.752 1.00 15.41 C ATOM 1070 O GLY A 112 -23.251 -3.619 24.412 1.00 14.62 O ATOM 1071 H GLY A 112 -20.264 -4.649 24.435 1.00 0.00 H ATOM 1072 N ASN A 113 -22.990 -1.584 23.452 1.00 17.61 N ATOM 1073 CA ASN A 113 -24.358 -1.114 23.672 1.00 16.56 C ATOM 1074 C ASN A 113 -24.773 -0.388 22.400 1.00 17.58 C ATOM 1075 O ASN A 113 -24.324 0.756 22.181 1.00 23.74 O ATOM 1076 CB ASN A 113 -24.430 -0.182 24.879 1.00 19.28 C ATOM 1077 CG ASN A 113 -25.856 0.206 25.231 1.00 23.21 C ATOM 1078 OD1 ASN A 113 -26.817 -0.400 24.755 1.00 22.11 O ATOM 1079 ND2 ASN A 113 -25.998 1.212 26.083 1.00 31.63 N ATOM 1080 HD22 ASN A 113 -25.159 1.696 26.461 1.00 0.00 H ATOM 1081 HD21 ASN A 113 -26.949 1.517 26.374 1.00 0.00 H ATOM 1082 H ASN A 113 -22.302 -0.922 23.039 1.00 0.00 H ATOM 1083 N PRO A 114 -25.608 -0.994 21.538 1.00 19.83 N ATOM 1084 CA PRO A 114 -26.319 -2.251 21.781 1.00 16.45 C ATOM 1085 C PRO A 114 -25.386 -3.460 21.788 1.00 16.29 C ATOM 1086 O PRO A 114 -24.305 -3.429 21.198 1.00 14.97 O ATOM 1087 CB PRO A 114 -27.280 -2.339 20.589 1.00 21.76 C ATOM 1088 CG PRO A 114 -26.576 -1.624 19.502 1.00 21.04 C ATOM 1089 CD PRO A 114 -25.873 -0.479 20.179 1.00 20.31 C ATOM 1090 N TYR A 115 -25.812 -4.502 22.490 1.00 14.97 N ATOM 1091 CA TYR A 115 -25.029 -5.728 22.622 1.00 13.42 C ATOM 1092 C TYR A 115 -25.230 -6.579 21.377 1.00 11.50 C ATOM 1093 O TYR A 115 -26.289 -7.194 21.196 1.00 14.22 O ATOM 1094 CB TYR A 115 -25.535 -6.474 23.841 1.00 11.71 C ATOM 1095 CG TYR A 115 -24.567 -7.460 24.454 1.00 11.11 C ATOM 1096 CD1 TYR A 115 -23.279 -7.075 24.843 1.00 12.08 C ATOM 1097 CD2 TYR A 115 -24.979 -8.764 24.702 1.00 10.99 C ATOM 1098 CE1 TYR A 115 -22.425 -7.979 25.442 1.00 10.98 C ATOM 1099 CE2 TYR A 115 -24.136 -9.676 25.310 1.00 10.36 C ATOM 1100 CZ TYR A 115 -22.861 -9.275 25.680 1.00 11.69 C ATOM 1101 OH TYR A 115 -22.031 -10.198 26.298 1.00 12.47 O ATOM 1102 HH TYR A 115 -22.453 -10.509 27.138 1.00 0.00 H ATOM 1103 H TYR A 115 -26.736 -4.444 22.963 1.00 0.00 H ATOM 1104 N VAL A 116 -24.205 -6.638 20.521 1.00 11.86 N ATOM 1105 CA VAL A 116 -24.343 -7.212 19.185 1.00 11.43 C ATOM 1106 C VAL A 116 -23.143 -8.119 18.889 1.00 12.13 C ATOM 1107 O VAL A 116 -22.121 -8.050 19.565 1.00 10.13 O ATOM 1108 CB VAL A 116 -24.449 -6.126 18.096 1.00 13.81 C ATOM 1109 CG1 VAL A 116 -25.781 -5.376 18.220 1.00 14.92 C ATOM 1110 CG2 VAL A 116 -23.256 -5.188 18.165 1.00 12.14 C ATOM 1111 H VAL A 116 -23.281 -6.264 20.815 1.00 0.00 H ATOM 1112 N PRO A 117 -23.287 -8.996 17.899 1.00 11.41 N ATOM 1113 CA PRO A 117 -22.160 -9.882 17.570 1.00 10.92 C ATOM 1114 C PRO A 117 -20.970 -9.109 17.030 1.00 11.13 C ATOM 1115 O PRO A 117 -21.119 -8.230 16.175 1.00 12.79 O ATOM 1116 CB PRO A 117 -22.743 -10.819 16.499 1.00 10.55 C ATOM 1117 CG PRO A 117 -24.245 -10.745 16.684 1.00 14.38 C ATOM 1118 CD PRO A 117 -24.514 -9.344 17.151 1.00 11.67 C ATOM 1119 N VAL A 118 -19.775 -9.468 17.525 1.00 10.05 N ATOM 1120 CA VAL A 118 -18.523 -8.889 17.045 1.00 10.98 C ATOM 1121 C VAL A 118 -17.512 -9.946 16.600 1.00 11.42 C ATOM 1122 O VAL A 118 -16.510 -9.606 15.967 1.00 13.16 O ATOM 1123 CB VAL A 118 -17.902 -7.919 18.065 1.00 13.23 C ATOM 1124 CG1 VAL A 118 -18.800 -6.708 18.288 1.00 12.84 C ATOM 1125 CG2 VAL A 118 -17.618 -8.635 19.365 1.00 12.18 C ATOM 1126 H VAL A 118 -19.739 -10.185 18.278 1.00 0.00 H ATOM 1127 N HIS A 119 -17.767 -11.226 16.893 1.00 10.70 N ATOM 1128 CA HIS A 119 -16.812 -12.286 16.575 1.00 11.24 C ATOM 1129 C HIS A 119 -17.570 -13.597 16.403 1.00 10.33 C ATOM 1130 O HIS A 119 -18.492 -13.877 17.171 1.00 10.77 O ATOM 1131 CB HIS A 119 -15.759 -12.383 17.697 1.00 12.03 C ATOM 1132 CG HIS A 119 -15.013 -13.685 17.760 1.00 11.24 C ATOM 1133 ND1 HIS A 119 -13.913 -13.953 16.975 1.00 13.13 N ATOM 1134 CD2 HIS A 119 -15.180 -14.771 18.559 1.00 11.34 C ATOM 1135 CE1 HIS A 119 -13.456 -15.162 17.260 1.00 13.58 C ATOM 1136 NE2 HIS A 119 -14.208 -15.676 18.220 1.00 11.80 N ATOM 1137 H HIS A 119 -18.664 -11.472 17.357 1.00 0.00 H ATOM 1138 N PHE A 120 -17.212 -14.373 15.370 1.00 10.31 N ATOM 1139 CA PHE A 120 -17.761 -15.708 15.158 1.00 9.39 C ATOM 1140 C PHE A 120 -16.811 -16.704 15.814 1.00 11.22 C ATOM 1141 O PHE A 120 -15.654 -16.816 15.401 1.00 11.89 O ATOM 1142 CB PHE A 120 -17.923 -16.024 13.665 1.00 10.09 C ATOM 1143 CG PHE A 120 -18.725 -17.261 13.415 1.00 10.45 C ATOM 1144 CD1 PHE A 120 -18.117 -18.511 13.417 1.00 11.76 C ATOM 1145 CD2 PHE A 120 -20.093 -17.181 13.226 1.00 11.11 C ATOM 1146 CE1 PHE A 120 -18.865 -19.656 13.210 1.00 12.38 C ATOM 1147 CE2 PHE A 120 -20.845 -18.329 13.037 1.00 11.76 C ATOM 1148 CZ PHE A 120 -20.225 -19.556 13.030 1.00 11.80 C ATOM 1149 H PHE A 120 -16.514 -14.008 14.691 1.00 0.00 H ATOM 1150 N ASP A 121 -17.291 -17.430 16.836 1.00 7.86 N ATOM 1151 CA ASP A 121 -16.383 -18.281 17.602 1.00 10.08 C ATOM 1152 C ASP A 121 -16.337 -19.723 17.114 1.00 10.27 C ATOM 1153 O ASP A 121 -15.252 -20.329 17.081 1.00 11.96 O ATOM 1154 CB ASP A 121 -16.738 -18.243 19.095 1.00 9.67 C ATOM 1155 CG ASP A 121 -15.548 -18.536 19.982 1.00 9.93 C ATOM 1156 OD1 ASP A 121 -14.474 -17.933 19.732 1.00 10.98 O ATOM 1157 OD2 ASP A 121 -15.693 -19.347 20.928 1.00 10.05 O ATOM 1158 H ASP A 121 -18.301 -17.387 17.081 1.00 0.00 H ATOM 1159 N ALA A 122 -17.486 -20.287 16.746 1.00 9.37 N ATOM 1160 CA ALA A 122 -17.566 -21.711 16.463 1.00 10.13 C ATOM 1161 C ALA A 122 -18.962 -22.046 15.964 1.00 11.45 C ATOM 1162 O ALA A 122 -19.900 -21.259 16.100 1.00 10.96 O ATOM 1163 CB ALA A 122 -17.317 -22.539 17.733 1.00 12.48 C ATOM 1164 H ALA A 122 -18.340 -19.699 16.660 1.00 0.00 H ATOM 1165 N SER A 123 -19.087 -23.237 15.368 1.00 13.21 N ATOM 1166 CA SER A 123 -20.393 -23.822 15.121 1.00 14.89 C ATOM 1167 C SER A 123 -20.386 -25.227 15.696 1.00 14.56 C ATOM 1168 O SER A 123 -19.354 -25.903 15.677 1.00 19.24 O ATOM 1169 CB SER A 123 -20.730 -23.847 13.626 1.00 18.58 C ATOM 1170 OG SER A 123 -19.838 -24.694 12.940 1.00 21.68 O ATOM 1171 HG SER A 123 -20.066 -24.701 11.977 1.00 0.00 H ATOM 1172 H SER A 123 -18.233 -23.754 15.076 1.00 0.00 H ATOM 1173 N VAL A 124 -21.526 -25.644 16.229 1.00 14.99 N ATOM 1174 CA VAL A 124 -21.618 -26.931 16.904 1.00 15.45 C ATOM 1175 C VAL A 124 -22.881 -27.669 16.507 1.00 17.81 C ATOM 1176 O VAL A 124 -23.885 -27.095 16.076 1.00 17.53 O ATOM 1177 CB VAL A 124 -21.502 -26.810 18.439 1.00 17.12 C ATOM 1178 CG1 VAL A 124 -20.136 -26.262 18.835 1.00 18.73 C ATOM 1179 CG2 VAL A 124 -22.613 -25.948 18.996 1.00 18.83 C ATOM 1180 OXT VAL A 124 -22.914 -28.881 16.640 1.00 23.71 O ATOM 1181 H VAL A 124 -22.371 -25.041 16.164 1.00 0.00 H TER 1182 VAL A 124 HETATM 1183 O HOH 1 -8.716 -17.970 9.807 1.00 25.91 O HETATM 1184 O HOH 2 -27.465 -26.819 5.038 1.00 27.04 O HETATM 1185 O HOH 3 -25.477 -24.911 -0.673 1.00 31.15 O HETATM 1186 O HOH 4 -19.311 -26.091 10.711 1.00 31.82 O HETATM 1187 O HOH 5 -17.807 -28.529 -1.118 1.00 27.73 O HETATM 1188 O HOH 6 -32.252 -22.158 9.274 1.00 25.08 O HETATM 1189 O HOH 7 -16.578 -4.536 20.048 1.00 27.73 O HETATM 1190 O HOH 8 -15.827 -7.902 14.261 1.00 18.21 O HETATM 1191 O HOH 9 -3.439 -18.314 4.117 1.00 23.76 O HETATM 1192 O HOH 10 -26.568 -3.286 11.003 1.00 25.35 O HETATM 1193 O HOH 11 -4.189 -20.628 -5.842 1.00 28.35 O HETATM 1194 O HOH 12 -31.581 -17.155 26.871 1.00 16.09 O HETATM 1195 O HOH 13 -18.114 -2.722 6.684 1.00 25.07 O HETATM 1196 O HOH 14 -12.745 -15.152 31.483 1.00 22.33 O HETATM 1197 O HOH 15 -15.382 -26.174 3.564 1.00 24.59 O HETATM 1198 O HOH 16 -32.666 -9.407 17.108 1.00 19.68 O HETATM 1199 O HOH 17 -18.341 -23.012 11.585 1.00 26.36 O HETATM 1200 O HOH 18 -31.670 -6.945 16.687 1.00 24.59 O HETATM 1201 O HOH 19 -15.166 -20.661 10.849 1.00 26.53 O HETATM 1202 O HOH 20 -21.309 -25.799 22.927 1.00 16.26 O HETATM 1203 O HOH 21 -35.883 -12.097 10.856 1.00 25.58 O HETATM 1204 O HOH 22 -27.817 -8.073 19.201 1.00 18.59 O HETATM 1205 O HOH 23 -30.998 -25.119 5.517 1.00 29.57 O HETATM 1206 O HOH 24 -22.760 -1.944 19.596 1.00 18.22 O HETATM 1207 O HOH 25 -10.282 -9.847 -0.889 1.00 25.48 O HETATM 1208 O HOH 26 -21.996 -0.269 13.357 1.00 30.31 O HETATM 1209 O HOH 27 -9.421 -15.060 28.352 1.00 21.36 O HETATM 1210 O HOH 28 -24.838 -3.276 26.587 1.00 19.99 O HETATM 1211 O HOH 29 -33.321 -15.987 9.568 1.00 16.53 O HETATM 1212 O HOH 30 -12.706 -16.851 21.488 1.00 12.40 O HETATM 1213 O HOH 31 -13.478 -18.345 14.842 1.00 27.22 O HETATM 1214 O HOH 32 -25.297 -29.627 8.944 1.00 29.33 O HETATM 1215 O HOH 33 -22.705 -7.336 14.144 1.00 14.71 O HETATM 1216 O HOH 34 -12.094 -23.817 -4.932 1.00 30.45 O HETATM 1217 O HOH 35 -24.915 -15.820 31.721 1.00 20.07 O HETATM 1218 O HOH 36 -22.336 -30.703 5.047 1.00 34.90 O HETATM 1219 O HOH 37 -27.305 -11.996 27.076 1.00 22.20 O HETATM 1220 O HOH 38 -17.189 -21.327 22.151 1.00 9.31 O HETATM 1221 O HOH 39 -32.242 -16.110 16.831 1.00 14.28 O HETATM 1222 O HOH 40 -20.397 -4.142 7.161 1.00 22.29 O HETATM 1223 O HOH 41 -6.024 -11.648 -3.236 1.00 30.00 O HETATM 1224 O HOH 42 -31.769 -19.554 17.922 1.00 19.02 O HETATM 1225 O HOH 43 -10.907 -16.161 -3.108 1.00 24.39 O HETATM 1226 O HOH 44 -16.080 -25.852 -3.202 1.00 23.85 O HETATM 1227 O HOH 45 -14.550 -10.397 26.089 1.00 15.28 O HETATM 1228 O HOH 46 -27.970 -24.708 21.258 1.00 22.09 O HETATM 1229 O HOH 47 -9.415 -22.844 23.056 1.00 22.52 O HETATM 1230 O HOH 48 -25.513 -8.046 7.568 1.00 23.69 O HETATM 1231 O HOH 49 -12.626 -18.828 17.778 1.00 21.55 O HETATM 1232 O HOH 50 -16.942 -26.572 17.009 1.00 26.39 O HETATM 1233 O HOH 51 -12.460 -9.378 30.302 1.00 15.39 O HETATM 1234 O HOH 52 -15.288 -21.927 -3.263 1.00 18.60 O HETATM 1235 O HOH 53 -26.151 -28.676 15.339 1.00 25.90 O HETATM 1236 O HOH 54 -18.113 -23.303 25.448 1.00 10.60 O HETATM 1237 O HOH 55 -24.890 -5.645 13.935 1.00 16.52 O HETATM 1238 O HOH 56 -15.899 -10.450 12.634 1.00 17.74 O HETATM 1239 O HOH 57 -19.033 -8.539 26.273 1.00 10.15 O HETATM 1240 O HOH 58 -19.934 -9.532 -1.066 1.00 24.98 O HETATM 1241 O HOH 59 -22.330 -25.742 -7.165 1.00 21.25 O HETATM 1242 O HOH 60 -19.974 -12.123 29.815 1.00 19.92 O HETATM 1243 O HOH 61 -15.544 -12.117 -5.918 1.00 29.14 O HETATM 1244 O HOH 62 -19.318 -2.275 17.106 1.00 21.91 O HETATM 1245 O HOH 63 -21.299 -19.621 -9.088 1.00 23.12 O HETATM 1246 O HOH 64 -20.832 -30.708 17.503 1.00 25.52 O HETATM 1247 O HOH 65 -28.772 -7.643 22.631 1.00 24.77 O HETATM 1248 O HOH 66 -17.768 -12.116 33.160 1.00 25.21 O HETATM 1249 O HOH 67 -15.304 -10.380 22.382 1.00 17.60 O HETATM 1250 O HOH 68 -17.172 -24.788 -9.949 1.00 21.52 O HETATM 1251 O HOH 69 -16.201 -0.636 16.978 1.00 26.17 O HETATM 1252 O HOH 70 -26.097 -10.415 4.613 1.00 19.92 O HETATM 1253 O HOH 71 -14.412 -12.774 23.445 1.00 12.54 O HETATM 1254 O HOH 72 -15.455 -17.845 10.915 1.00 17.68 O HETATM 1255 O HOH 73 -28.301 -4.002 23.988 1.00 27.73 O HETATM 1256 O HOH 74 -21.448 -0.320 21.241 1.00 25.13 O HETATM 1257 O HOH 75 2.008 -16.484 -2.253 1.00 23.35 O HETATM 1258 O HOH 76 -28.367 -3.392 13.113 1.00 24.95 O HETATM 1259 O HOH 77 -22.110 -19.739 30.833 1.00 28.25 O HETATM 1260 O HOH 78 -16.418 -24.527 14.870 1.00 20.31 O HETATM 1261 O HOH 79 -31.057 -24.317 10.069 1.00 24.20 O HETATM 1262 O HOH 80 -7.436 -11.883 5.447 1.00 29.81 O HETATM 1263 O HOH 81 -20.439 -3.572 19.413 1.00 18.10 O HETATM 1264 O HOH 82 -20.073 -17.906 29.570 1.00 18.60 O HETATM 1265 O HOH 83 -27.526 -25.577 23.652 1.00 30.01 O HETATM 1266 O HOH 84 -28.385 -26.077 27.730 1.00 19.20 O HETATM 1267 O HOH 85 -30.225 -29.716 16.817 1.00 35.54 O HETATM 1268 O HOH 86 -31.969 -15.271 5.562 1.00 24.75 O HETATM 1269 O HOH 87 -6.593 -29.484 1.282 1.00 44.59 O HETATM 1270 O HOH 88 -13.896 -14.331 21.261 1.00 17.19 O HETATM 1271 O HOH 89 -9.321 -10.749 6.961 1.00 30.93 O HETATM 1272 O HOH 90 -19.546 -13.148 -4.201 1.00 29.81 O HETATM 1273 O HOH 91 -21.107 -0.405 16.290 1.00 24.63 O HETATM 1274 O HOH 92 -32.971 -12.969 5.915 1.00 23.98 O HETATM 1275 O HOH 93 -32.537 -11.631 3.544 1.00 25.47 O HETATM 1276 O HOH 94 -27.539 -2.660 15.710 1.00 23.87 O HETATM 1277 O HOH 95 -19.360 -22.455 30.298 1.00 23.30 O HETATM 1278 O HOH 96 -18.581 -19.568 30.896 1.00 21.49 O HETATM 1279 O HOH 97 -35.096 -10.192 16.856 1.00 27.33 O HETATM 1280 O HOH 98 -23.645 -1.975 12.806 1.00 30.03 O HETATM 1281 O HOH 99 -12.876 -25.548 14.425 1.00 40.69 O HETATM 1282 O HOH 100 -10.476 -17.112 19.976 1.00 24.06 O HETATM 1283 O HOH 101 -11.718 -24.203 12.995 1.00 41.38 O HETATM 1284 O HOH 102 -24.983 -3.332 15.172 1.00 19.22 O HETATM 1285 O HOH 103 -29.758 -5.995 18.819 1.00 27.03 O HETATM 1286 O HOH 104 -5.913 -22.752 -6.952 1.00 31.27 O HETATM 1287 O HOH 105 -2.289 -18.259 6.742 1.00 30.32 O HETATM 1288 O HOH 106 -25.531 -32.162 16.542 1.00 25.50 O HETATM 1289 O HOH 107 -33.013 -18.573 15.539 1.00 20.71 O HETATM 1290 O HOH 108 -13.622 -16.145 33.798 1.00 25.00 O HETATM 1291 O HOH 109 -23.636 -1.560 16.952 1.00 19.31 O HETATM 1292 O12 P A 0 -7.235 -13.342 10.610 1.00 -0.61 O HETATM 1293 P04 P A 0 -7.555 -13.093 12.061 1.00 0.34 P HETATM 1294 O02 P A 0 -9.073 -12.423 12.037 1.00 -0.12 O HETATM 1295 P02 P A 0 -9.897 -11.220 11.254 1.00 0.34 P HETATM 1296 O04 P A 0 -10.376 -11.859 9.978 1.00 -0.61 O HETATM 1297 O06 P A 0 -9.097 -9.948 11.189 1.00 -0.61 O HETATM 1298 O16 P A 0 -11.154 -11.068 12.305 1.00 -0.12 O HETATM 1299 P05 P A 0 -11.311 -10.960 13.938 1.00 0.34 P HETATM 1300 O13 P A 0 -10.020 -11.325 14.624 1.00 -0.61 O HETATM 1301 O07 P A 0 -12.433 -12.150 14.162 1.00 -0.12 O HETATM 1302 P03 P A 0 -13.245 -13.226 13.214 1.00 0.34 P HETATM 1303 O01 P A 0 -12.245 -14.556 13.237 1.00 -0.12 O HETATM 1304 P01 P A 0 -10.791 -14.945 13.947 1.00 0.34 P HETATM 1305 O15 P A 0 -10.052 -15.751 12.722 1.00 -0.12 O HETATM 1306 P06 P A 0 -8.508 -16.017 12.230 1.00 0.34 P HETATM 1307 O14 P A 0 -7.869 -17.096 13.071 1.00 -0.61 O HETATM 1308 O08 P A 0 -7.855 -14.576 12.691 1.00 -0.12 O HETATM 1309 O18 P A 0 -8.529 -16.121 10.731 1.00 -0.61 O HETATM 1310 O03 P A 0 -10.967 -15.943 15.060 1.00 -0.61 O HETATM 1311 O05 P A 0 -10.125 -13.623 14.210 1.00 -0.61 O HETATM 1312 O09 P A 0 -13.294 -12.634 11.828 1.00 -0.61 O HETATM 1313 O11 P A 0 -14.529 -13.663 13.874 1.00 -0.61 O HETATM 1314 O17 P A 0 -12.006 -9.676 14.303 1.00 -0.61 O HETATM 1315 O10 P A 0 -6.609 -12.293 12.909 1.00 -0.61 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 238 237 803 CONECT 392 391 912 CONECT 554 553 1055 CONECT 619 618 687 CONECT 687 619 686 CONECT 803 238 802 CONECT 912 392 911 CONECT 1055 554 1054 CONECT 1292 1293 CONECT 1293 1292 1294 1308 1315 CONECT 1294 1293 1295 CONECT 1295 1294 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 1299 CONECT 1299 1298 1300 1301 1314 CONECT 1300 1299 CONECT 1301 1299 1302 CONECT 1302 1301 1303 1312 1313 CONECT 1303 1302 1304 CONECT 1304 1303 1305 1310 1311 CONECT 1305 1304 1306 CONECT 1306 1305 1307 1308 1309 CONECT 1307 1306 CONECT 1308 1293 1306 CONECT 1309 1306 CONECT 1310 1304 CONECT 1311 1304 CONECT 1312 1302 CONECT 1313 1302 CONECT 1314 1299 CONECT 1315 1293 MASTER 0 0 0 0 0 0 0 0 1314 1 36 10 END
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RCSB PDB
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RCSB PDB
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6pvu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RNase A
Ligand Name
P0S
EC.Number
E.C.4.6.1.18
Resolution
1.49(Å)
Affinity (Kd/Ki/IC50)
Ki=6.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 18400-18404
Ligand Properties
Formula
H
1
2
O
1
8
P
6
Molecular Weight
485.927
Exact Mass
485.845
No. of atoms
36
No. of bonds
36
Polar Surface Area
379.68
LOGP Value
-7.06 (
Computed with XLOGP3
)
-1.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 1
Canonical SMILES
OP1(O)OP(O)(O)OP(O)(O)OP(OP(OP(O1)(O)O)(O)O)(O)O
InChI String
InChI=1S/H18O18P6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12,19-24H
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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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