Browse entries in the PDBbind-CN Database
HEADER 5A2K_COMPLEX COMPND 5A2K_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 H 116 GLN VAL GLN LEU GLN GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 H 116 PRO GLY GLY SER MET LYS LEU SER CYS VAL ALA SER GLY SEQRES 3 H 116 PHE THR PHE SER ASN TYR TRP MET ASN TRP VAL ARG GLN SEQRES 4 H 116 SER PRO GLU LYS GLY LEU GLU TRP VAL ALA GLU ILE ARG SEQRES 5 H 116 LEU LYS SER ASN ASN TYR ALA THR HIS TYR ALA GLU SER SEQRES 6 H 116 VAL LYS GLY ARG PHE THR ILE SER ARG ASP ASP SER LYS SEQRES 7 H 116 SER SER VAL TYR LEU GLN MET ASN ASN LEU ARG ALA GLU SEQRES 8 H 116 ASP THR GLY ILE TYR TYR CYS THR GLY VAL GLY GLN PHE SEQRES 9 H 116 ALA TYR TRP GLY GLN GLY THR THR VAL THR VAL SER SEQRES 1 H 109 ILE VAL VAL THR GLN GLU SER ALA LEU THR THR SER PRO SEQRES 2 H 109 GLY GLU THR VAL THR LEU THR CYS ARG SER SER THR GLY SEQRES 3 H 109 ALA VAL THR THR SER ASN TYR ALA ASN TRP VAL GLN GLU SEQRES 4 H 109 LYS PRO ASP HIS LEU PHE THR GLY LEU ILE GLY GLY THR SEQRES 5 H 109 ASN ASN ARG ALA PRO GLY VAL PRO ALA ARG PHE SER GLY SEQRES 6 H 109 SER LEU ILE GLY ASP LYS ALA ALA LEU THR ILE THR GLY SEQRES 7 H 109 ALA GLN THR GLU ASP GLU ALA ILE TYR PHE CYS ALA LEU SEQRES 8 H 109 TRP TYR SER ASN HIS TRP VAL PHE GLY GLY GLY THR LYS SEQRES 9 H 109 LEU THR VAL LEU GLY HET ALA A 414 91 SSBOND 1 CYS H 22 CYS H 92 SSBOND 2 CYS H 1023 CYS H 1088 ATOM 1 N GLN H 1 30.341 -2.723 15.653 1.00 56.82 N ATOM 2 CA GLN H 1 29.049 -2.947 16.356 1.00 54.40 C ATOM 3 C GLN H 1 28.584 -1.620 16.944 1.00 52.12 C ATOM 4 O GLN H 1 29.032 -1.190 18.012 1.00 57.08 O ATOM 5 CB GLN H 1 29.158 -4.021 17.449 1.00 53.13 C ATOM 6 HN3 GLN H 1 31.046 -2.367 16.330 1.00 0.00 H ATOM 7 HN2 GLN H 1 30.205 -2.025 14.894 1.00 0.00 H ATOM 8 HN1 GLN H 1 30.673 -3.620 15.245 1.00 0.00 H ATOM 9 N VAL H 2 27.717 -0.957 16.187 1.00 47.94 N ATOM 10 CA VAL H 2 26.882 0.121 16.696 1.00 42.78 C ATOM 11 C VAL H 2 25.960 -0.446 17.768 1.00 38.86 C ATOM 12 O VAL H 2 25.453 -1.562 17.629 1.00 35.80 O ATOM 13 CB VAL H 2 25.973 0.687 15.586 1.00 41.56 C ATOM 14 CG1 VAL H 2 24.856 1.538 16.182 1.00 39.86 C ATOM 15 CG2 VAL H 2 26.790 1.476 14.570 1.00 41.91 C ATOM 16 H VAL H 2 27.631 -1.220 15.185 1.00 0.00 H ATOM 17 N GLN H 3 25.731 0.327 18.827 1.00 35.10 N ATOM 18 CA GLN H 3 24.798 -0.086 19.852 1.00 36.47 C ATOM 19 C GLN H 3 23.879 1.078 20.227 1.00 31.89 C ATOM 20 O GLN H 3 24.297 2.233 20.318 1.00 30.07 O ATOM 21 CB GLN H 3 25.512 -0.659 21.081 1.00 41.34 C ATOM 22 CG GLN H 3 24.534 -1.160 22.149 1.00 48.96 C ATOM 23 CD GLN H 3 25.167 -2.076 23.204 1.00 56.09 C ATOM 24 OE1 GLN H 3 26.394 -2.144 23.341 1.00 55.31 O ATOM 25 NE2 GLN H 3 24.318 -2.783 23.961 1.00 58.26 N ATOM 26 HE22 GLN H 3 23.292 -2.696 23.812 1.00 0.00 H ATOM 27 HE21 GLN H 3 24.684 -3.419 24.698 1.00 0.00 H ATOM 28 H GLN H 3 26.227 1.236 18.918 1.00 0.00 H ATOM 29 N LEU H 4 22.609 0.748 20.382 1.00 28.65 N ATOM 30 CA LEU H 4 21.627 1.656 20.932 1.00 27.01 C ATOM 31 C LEU H 4 21.019 0.922 22.105 1.00 26.23 C ATOM 32 O LEU H 4 20.836 -0.300 22.056 1.00 27.93 O ATOM 33 CB LEU H 4 20.554 1.988 19.897 1.00 25.68 C ATOM 34 CG LEU H 4 21.002 2.837 18.722 1.00 26.03 C ATOM 35 CD1 LEU H 4 19.974 2.731 17.623 1.00 25.43 C ATOM 36 CD2 LEU H 4 21.190 4.294 19.111 1.00 26.48 C ATOM 37 H LEU H 4 22.303 -0.204 20.097 1.00 0.00 H ATOM 38 N GLN H 5 20.744 1.653 23.173 1.00 25.90 N ATOM 39 CA GLN H 5 20.284 1.036 24.411 1.00 27.15 C ATOM 40 C GLN H 5 19.311 1.942 25.143 1.00 24.20 C ATOM 41 O GLN H 5 19.710 2.949 25.760 1.00 23.33 O ATOM 42 CB GLN H 5 21.453 0.703 25.337 1.00 30.27 C ATOM 43 CG GLN H 5 20.975 -0.004 26.602 1.00 35.56 C ATOM 44 CD GLN H 5 22.111 -0.308 27.553 1.00 42.60 C ATOM 45 OE1 GLN H 5 21.982 -0.126 28.763 1.00 50.54 O ATOM 46 NE2 GLN H 5 23.242 -0.746 27.011 1.00 47.10 N ATOM 47 HE22 GLN H 5 23.306 -0.885 25.982 1.00 0.00 H ATOM 48 HE21 GLN H 5 24.064 -0.949 27.615 1.00 0.00 H ATOM 49 H GLN H 5 20.858 2.686 23.128 1.00 0.00 H ATOM 50 N GLU H 6 18.041 1.546 25.093 1.00 22.93 N ATOM 51 CA GLU H 6 16.960 2.292 25.711 1.00 22.14 C ATOM 52 C GLU H 6 16.830 1.930 27.199 1.00 22.43 C ATOM 53 O GLU H 6 17.242 0.852 27.612 1.00 22.67 O ATOM 54 CB GLU H 6 15.623 1.986 25.023 1.00 21.31 C ATOM 55 CG GLU H 6 15.577 2.263 23.530 1.00 21.13 C ATOM 56 CD GLU H 6 16.047 1.111 22.690 1.00 21.64 C ATOM 57 OE1 GLU H 6 16.642 0.162 23.262 1.00 21.63 O ATOM 58 OE2 GLU H 6 15.789 1.136 21.458 1.00 22.01 O ATOM 59 H GLU H 6 17.814 0.665 24.590 1.00 0.00 H ATOM 60 N SER H 7 16.267 2.853 27.967 1.00 20.95 N ATOM 61 CA SER H 7 15.982 2.665 29.384 1.00 22.23 C ATOM 62 C SER H 7 14.852 3.597 29.813 1.00 22.28 C ATOM 63 O SER H 7 14.528 4.578 29.133 1.00 21.15 O ATOM 64 CB SER H 7 17.231 2.904 30.245 1.00 24.34 C ATOM 65 OG SER H 7 17.720 4.220 30.105 1.00 24.49 O ATOM 66 HG SER H 7 17.959 4.383 29.158 1.00 0.00 H ATOM 67 H SER H 7 16.014 3.764 27.533 1.00 0.00 H ATOM 68 N GLY H 8 14.243 3.270 30.943 1.00 21.89 N ATOM 69 CA GLY H 8 13.332 4.174 31.608 1.00 22.09 C ATOM 70 C GLY H 8 11.908 3.673 31.652 1.00 22.11 C ATOM 71 O GLY H 8 11.052 4.323 32.249 1.00 23.57 O ATOM 72 H GLY H 8 14.425 2.337 31.364 1.00 0.00 H ATOM 73 N GLY H 9 11.627 2.547 30.997 1.00 21.09 N ATOM 74 CA GLY H 9 10.261 2.040 30.932 1.00 20.93 C ATOM 75 C GLY H 9 9.845 1.428 32.258 1.00 21.84 C ATOM 76 O GLY H 9 10.611 1.439 33.237 1.00 23.50 O ATOM 77 H GLY H 9 12.392 2.023 30.526 1.00 0.00 H ATOM 78 N GLY H 10 8.621 0.927 32.302 1.00 21.50 N ATOM 79 CA GLY H 10 8.087 0.349 33.516 1.00 23.11 C ATOM 80 C GLY H 10 6.591 0.118 33.445 1.00 23.92 C ATOM 81 O GLY H 10 6.027 -0.072 32.352 1.00 23.58 O ATOM 82 H GLY H 10 8.031 0.949 31.446 1.00 0.00 H ATOM 83 N LEU H 11 5.973 0.153 34.626 1.00 23.88 N ATOM 84 CA LEU H 11 4.560 -0.142 34.845 1.00 25.97 C ATOM 85 C LEU H 11 3.946 1.074 35.506 1.00 26.38 C ATOM 86 O LEU H 11 4.228 1.353 36.673 1.00 24.81 O ATOM 87 CB LEU H 11 4.441 -1.344 35.784 1.00 28.11 C ATOM 88 CG LEU H 11 3.249 -2.320 35.822 1.00 32.94 C ATOM 89 CD1 LEU H 11 2.875 -2.674 37.261 1.00 33.01 C ATOM 90 CD2 LEU H 11 2.038 -1.913 34.977 1.00 33.10 C ATOM 91 H LEU H 11 6.543 0.411 35.457 1.00 0.00 H ATOM 92 N VAL H 12 3.092 1.777 34.770 1.00 26.62 N ATOM 93 CA VAL H 12 2.617 3.111 35.116 1.00 29.39 C ATOM 94 C VAL H 12 1.067 3.213 35.005 1.00 30.74 C ATOM 95 O VAL H 12 0.428 2.430 34.300 1.00 27.57 O ATOM 96 CB VAL H 12 3.353 4.114 34.197 1.00 33.18 C ATOM 97 CG1 VAL H 12 2.631 5.445 34.071 1.00 37.01 C ATOM 98 CG2 VAL H 12 4.793 4.313 34.674 1.00 33.83 C ATOM 99 H VAL H 12 2.740 1.348 33.891 1.00 0.00 H ATOM 100 N GLN H 13 0.457 4.147 35.734 1.00 32.35 N ATOM 101 CA GLN H 13 -1.006 4.354 35.674 1.00 34.28 C ATOM 102 C GLN H 13 -1.381 5.343 34.553 1.00 30.13 C ATOM 103 O GLN H 13 -0.639 6.270 34.252 1.00 28.28 O ATOM 104 CB GLN H 13 -1.582 4.884 37.032 1.00 39.84 C ATOM 105 CG GLN H 13 -2.234 3.816 37.932 1.00 44.63 C ATOM 106 CD GLN H 13 -1.236 2.836 38.554 1.00 45.69 C ATOM 107 OE1 GLN H 13 -1.004 1.733 38.032 1.00 45.81 O ATOM 108 NE2 GLN H 13 -0.639 3.236 39.669 1.00 45.56 N ATOM 109 HE22 GLN H 13 -0.862 4.168 40.073 1.00 0.00 H ATOM 110 HE21 GLN H 13 0.052 2.618 40.139 1.00 0.00 H ATOM 111 H GLN H 13 1.026 4.748 36.363 1.00 0.00 H ATOM 112 N PRO H 14 -2.578 5.176 33.971 1.00 31.99 N ATOM 113 CA PRO H 14 -3.027 6.179 33.023 1.00 32.17 C ATOM 114 C PRO H 14 -3.012 7.566 33.655 1.00 30.28 C ATOM 115 O PRO H 14 -3.317 7.706 34.851 1.00 30.61 O ATOM 116 CB PRO H 14 -4.466 5.741 32.699 1.00 33.93 C ATOM 117 CG PRO H 14 -4.500 4.274 33.008 1.00 34.89 C ATOM 118 CD PRO H 14 -3.580 4.113 34.175 1.00 34.30 C ATOM 119 N GLY H 15 -2.667 8.575 32.867 1.00 30.31 N ATOM 120 CA GLY H 15 -2.563 9.950 33.351 1.00 31.85 C ATOM 121 C GLY H 15 -1.159 10.332 33.768 1.00 33.13 C ATOM 122 O GLY H 15 -0.835 11.516 33.828 1.00 35.37 O ATOM 123 H GLY H 15 -2.463 8.380 31.866 1.00 0.00 H ATOM 124 N GLY H 16 -0.314 9.334 34.029 1.00 32.88 N ATOM 125 CA GLY H 16 1.047 9.590 34.498 1.00 33.86 C ATOM 126 C GLY H 16 2.021 10.079 33.428 1.00 32.82 C ATOM 127 O GLY H 16 1.656 10.290 32.269 1.00 28.82 O ATOM 128 H GLY H 16 -0.630 8.352 33.896 1.00 0.00 H ATOM 129 N SER H 17 3.273 10.228 33.854 1.00 31.76 N ATOM 130 CA SER H 17 4.366 10.727 33.037 1.00 30.60 C ATOM 131 C SER H 17 5.555 9.805 33.235 1.00 28.80 C ATOM 132 O SER H 17 5.710 9.185 34.291 1.00 26.66 O ATOM 133 CB SER H 17 4.802 12.131 33.473 1.00 34.50 C ATOM 134 OG SER H 17 4.083 13.161 32.809 1.00 39.08 O ATOM 135 HG SER H 17 3.117 13.068 33.007 1.00 0.00 H ATOM 136 H SER H 17 3.483 9.970 34.839 1.00 0.00 H ATOM 137 N MET H 18 6.421 9.749 32.227 1.00 27.18 N ATOM 138 CA MET H 18 7.672 9.031 32.331 1.00 26.79 C ATOM 139 C MET H 18 8.604 9.487 31.189 1.00 25.06 C ATOM 140 O MET H 18 8.126 9.920 30.147 1.00 25.90 O ATOM 141 CB MET H 18 7.395 7.508 32.343 1.00 30.33 C ATOM 142 CG MET H 18 8.089 6.632 31.321 1.00 32.29 C ATOM 143 SD MET H 18 7.360 4.954 31.301 1.00 33.70 S ATOM 144 CE MET H 18 7.803 4.350 32.920 1.00 38.16 C ATOM 145 H MET H 18 6.192 10.236 31.337 1.00 0.00 H ATOM 146 N LYS H 19 9.906 9.477 31.440 1.00 22.23 N ATOM 147 CA LYS H 19 10.885 9.875 30.442 1.00 20.90 C ATOM 148 C LYS H 19 11.782 8.701 30.094 1.00 20.22 C ATOM 149 O LYS H 19 12.419 8.076 30.966 1.00 21.73 O ATOM 150 CB LYS H 19 11.710 11.035 30.927 1.00 23.00 C ATOM 151 CG LYS H 19 12.650 11.619 29.878 1.00 23.46 C ATOM 152 CD LYS H 19 13.312 12.872 30.444 1.00 25.25 C ATOM 153 CE LYS H 19 14.164 13.559 29.406 1.00 26.62 C ATOM 154 NZ LYS H 19 14.684 14.869 29.922 1.00 27.51 N ATOM 155 HZ1 LYS H 19 13.883 15.488 30.162 1.00 0.00 H ATOM 156 HZ2 LYS H 19 15.261 14.701 30.771 1.00 0.00 H ATOM 157 HZ3 LYS H 19 15.267 15.322 29.189 1.00 0.00 H ATOM 158 H LYS H 19 10.237 9.175 32.379 1.00 0.00 H ATOM 159 N LEU H 20 11.826 8.373 28.821 1.00 19.59 N ATOM 160 CA LEU H 20 12.722 7.336 28.320 1.00 19.77 C ATOM 161 C LEU H 20 14.014 7.928 27.837 1.00 20.05 C ATOM 162 O LEU H 20 14.051 9.076 27.396 1.00 20.69 O ATOM 163 CB LEU H 20 12.078 6.572 27.162 1.00 20.11 C ATOM 164 CG LEU H 20 10.659 6.071 27.330 1.00 19.88 C ATOM 165 CD1 LEU H 20 10.227 5.339 26.070 1.00 19.80 C ATOM 166 CD2 LEU H 20 10.471 5.173 28.565 1.00 20.54 C ATOM 167 H LEU H 20 11.203 8.868 28.151 1.00 0.00 H ATOM 168 N SER H 21 15.078 7.136 27.939 1.00 20.13 N ATOM 169 CA SER H 21 16.418 7.526 27.495 1.00 22.43 C ATOM 170 C SER H 21 16.935 6.488 26.531 1.00 22.23 C ATOM 171 O SER H 21 16.522 5.350 26.563 1.00 22.41 O ATOM 172 CB SER H 21 17.409 7.631 28.667 1.00 22.40 C ATOM 173 OG SER H 21 17.051 8.660 29.550 1.00 22.87 O ATOM 174 HG SER H 21 16.149 8.480 29.916 1.00 0.00 H ATOM 175 H SER H 21 14.952 6.191 28.355 1.00 0.00 H ATOM 176 N CYS H 22 17.864 6.888 25.679 1.00 22.92 N ATOM 177 CA CYS H 22 18.517 5.965 24.761 1.00 22.88 C ATOM 178 C CYS H 22 19.920 6.485 24.533 1.00 24.23 C ATOM 179 O CYS H 22 20.108 7.646 24.123 1.00 21.25 O ATOM 180 CB CYS H 22 17.760 5.844 23.446 1.00 25.19 C ATOM 181 SG CYS H 22 18.787 5.172 22.108 1.00 28.49 S ATOM 182 H CYS H 22 18.136 7.892 25.664 1.00 0.00 H ATOM 183 N VAL H 23 20.898 5.624 24.817 1.00 22.84 N ATOM 184 CA VAL H 23 22.291 5.968 24.590 1.00 25.01 C ATOM 185 C VAL H 23 22.837 5.218 23.389 1.00 24.48 C ATOM 186 O VAL H 23 22.645 4.012 23.258 1.00 22.72 O ATOM 187 CB VAL H 23 23.164 5.764 25.848 1.00 26.38 C ATOM 188 CG1 VAL H 23 23.177 4.321 26.328 1.00 27.70 C ATOM 189 CG2 VAL H 23 24.576 6.252 25.575 1.00 26.95 C ATOM 190 H VAL H 23 20.659 4.690 25.208 1.00 0.00 H ATOM 191 N ALA H 24 23.533 5.956 22.526 1.00 24.61 N ATOM 192 CA ALA H 24 24.082 5.426 21.292 1.00 25.26 C ATOM 193 C ALA H 24 25.611 5.298 21.333 1.00 27.64 C ATOM 194 O ALA H 24 26.288 6.073 21.999 1.00 27.88 O ATOM 195 CB ALA H 24 23.679 6.355 20.159 1.00 25.34 C ATOM 196 H ALA H 24 23.690 6.960 22.747 1.00 0.00 H ATOM 197 N SER H 25 26.156 4.327 20.609 1.00 28.64 N ATOM 198 CA SER H 25 27.601 4.183 20.500 1.00 31.05 C ATOM 199 C SER H 25 27.963 3.566 19.157 1.00 31.62 C ATOM 200 O SER H 25 27.155 2.859 18.576 1.00 31.94 O ATOM 201 CB SER H 25 28.129 3.320 21.650 1.00 32.45 C ATOM 202 OG SER H 25 27.701 1.972 21.558 1.00 33.62 O ATOM 203 HG SER H 25 28.067 1.458 22.321 1.00 0.00 H ATOM 204 H SER H 25 25.538 3.656 20.110 1.00 0.00 H ATOM 205 N GLY H 26 29.168 3.850 18.666 1.00 32.85 N ATOM 206 CA GLY H 26 29.679 3.195 17.449 1.00 34.07 C ATOM 207 C GLY H 26 29.417 3.907 16.131 1.00 33.35 C ATOM 208 O GLY H 26 29.807 3.414 15.073 1.00 34.91 O ATOM 209 H GLY H 26 29.762 4.551 19.153 1.00 0.00 H ATOM 210 N PHE H 27 28.748 5.057 16.180 1.00 31.94 N ATOM 211 CA PHE H 27 28.567 5.880 14.995 1.00 30.21 C ATOM 212 C PHE H 27 28.508 7.331 15.403 1.00 29.77 C ATOM 213 O PHE H 27 28.387 7.634 16.591 1.00 29.85 O ATOM 214 CB PHE H 27 27.334 5.469 14.189 1.00 29.79 C ATOM 215 CG PHE H 27 26.007 5.758 14.864 1.00 27.71 C ATOM 216 CD1 PHE H 27 25.580 5.006 15.954 1.00 28.25 C ATOM 217 CD2 PHE H 27 25.165 6.744 14.371 1.00 27.63 C ATOM 218 CE1 PHE H 27 24.351 5.253 16.553 1.00 27.01 C ATOM 219 CE2 PHE H 27 23.930 7.002 14.969 1.00 27.76 C ATOM 220 CZ PHE H 27 23.526 6.253 16.056 1.00 26.39 C ATOM 221 H PHE H 27 28.346 5.374 17.085 1.00 0.00 H ATOM 222 N THR H 28 28.629 8.233 14.430 1.00 29.56 N ATOM 223 CA THR H 28 28.653 9.657 14.758 1.00 29.63 C ATOM 224 C THR H 28 27.214 10.131 14.987 1.00 27.80 C ATOM 225 O THR H 28 26.584 10.674 14.081 1.00 26.75 O ATOM 226 CB THR H 28 29.354 10.487 13.667 1.00 30.91 C ATOM 227 OG1 THR H 28 30.686 9.993 13.485 1.00 32.60 O ATOM 228 CG2 THR H 28 29.418 11.956 14.058 1.00 31.96 C ATOM 229 HG1 THR H 28 31.141 10.524 12.784 1.00 0.00 H ATOM 230 H THR H 28 28.706 7.925 13.440 1.00 0.00 H ATOM 231 N PHE H 29 26.739 9.928 16.215 1.00 28.33 N ATOM 232 CA PHE H 29 25.343 10.161 16.624 1.00 27.74 C ATOM 233 C PHE H 29 24.838 11.527 16.205 1.00 27.63 C ATOM 234 O PHE H 29 23.724 11.655 15.710 1.00 27.57 O ATOM 235 CB PHE H 29 25.269 10.033 18.151 1.00 27.51 C ATOM 236 CG PHE H 29 23.937 10.388 18.744 1.00 26.05 C ATOM 237 CD1 PHE H 29 22.925 9.446 18.800 1.00 25.94 C ATOM 238 CD2 PHE H 29 23.705 11.646 19.290 1.00 26.01 C ATOM 239 CE1 PHE H 29 21.700 9.755 19.353 1.00 24.68 C ATOM 240 CE2 PHE H 29 22.467 11.950 19.870 1.00 25.54 C ATOM 241 CZ PHE H 29 21.471 11.004 19.895 1.00 24.71 C ATOM 242 H PHE H 29 27.402 9.580 16.937 1.00 0.00 H ATOM 243 N SER H 30 25.671 12.547 16.423 1.00 29.40 N ATOM 244 CA SER H 30 25.291 13.946 16.166 1.00 29.80 C ATOM 245 C SER H 30 25.011 14.252 14.685 1.00 27.91 C ATOM 246 O SER H 30 24.387 15.255 14.373 1.00 27.95 O ATOM 247 CB SER H 30 26.377 14.897 16.706 1.00 30.83 C ATOM 248 OG SER H 30 27.627 14.638 16.061 1.00 32.68 O ATOM 249 HG SER H 30 28.315 15.255 16.417 1.00 0.00 H ATOM 250 H SER H 30 26.624 12.346 16.788 1.00 0.00 H ATOM 251 N ASN H 31 25.481 13.396 13.781 1.00 27.91 N ATOM 252 CA ASN H 31 25.277 13.570 12.339 1.00 29.04 C ATOM 253 C ASN H 31 23.956 13.039 11.805 1.00 26.58 C ATOM 254 O ASN H 31 23.640 13.285 10.648 1.00 27.61 O ATOM 255 CB ASN H 31 26.393 12.874 11.561 1.00 30.83 C ATOM 256 CG ASN H 31 27.680 13.663 11.555 1.00 33.59 C ATOM 257 OD1 ASN H 31 27.761 14.768 12.085 1.00 34.90 O ATOM 258 ND2 ASN H 31 28.703 13.087 10.942 1.00 36.48 N ATOM 259 HD22 ASN H 31 28.588 12.149 10.507 1.00 0.00 H ATOM 260 HD21 ASN H 31 29.622 13.572 10.896 1.00 0.00 H ATOM 261 H ASN H 31 26.016 12.568 14.111 1.00 0.00 H ATOM 262 N TYR H 32 23.226 12.281 12.630 1.00 25.03 N ATOM 263 CA TYR H 32 21.985 11.616 12.204 1.00 24.03 C ATOM 264 C TYR H 32 20.733 12.029 12.974 1.00 23.06 C ATOM 265 O TYR H 32 20.760 12.326 14.166 1.00 23.63 O ATOM 266 CB TYR H 32 22.164 10.093 12.291 1.00 23.06 C ATOM 267 CG TYR H 32 23.258 9.597 11.383 1.00 24.34 C ATOM 268 CD1 TYR H 32 22.997 9.304 10.033 1.00 25.63 C ATOM 269 CD2 TYR H 32 24.541 9.439 11.853 1.00 25.34 C ATOM 270 CE1 TYR H 32 24.013 8.864 9.192 1.00 26.56 C ATOM 271 CE2 TYR H 32 25.565 9.020 11.018 1.00 27.61 C ATOM 272 CZ TYR H 32 25.293 8.724 9.706 1.00 27.41 C ATOM 273 OH TYR H 32 26.323 8.286 8.902 1.00 30.14 O ATOM 274 HH TYR H 32 25.978 8.114 7.990 1.00 0.00 H ATOM 275 H TYR H 32 23.548 12.157 13.611 1.00 0.00 H ATOM 276 N TRP H 33 19.614 12.046 12.261 1.00 21.72 N ATOM 277 CA TRP H 33 18.343 12.212 12.907 1.00 21.30 C ATOM 278 C TRP H 33 18.096 10.972 13.760 1.00 21.25 C ATOM 279 O TRP H 33 18.594 9.871 13.460 1.00 22.93 O ATOM 280 CB TRP H 33 17.178 12.333 11.906 1.00 21.40 C ATOM 281 CG TRP H 33 17.253 13.392 10.820 1.00 21.40 C ATOM 282 CD1 TRP H 33 18.302 14.229 10.519 1.00 21.84 C ATOM 283 CD2 TRP H 33 16.234 13.670 9.856 1.00 20.91 C ATOM 284 NE1 TRP H 33 17.974 15.028 9.437 1.00 21.86 N ATOM 285 CE2 TRP H 33 16.715 14.699 9.015 1.00 21.04 C ATOM 286 CE3 TRP H 33 14.943 13.166 9.635 1.00 20.47 C ATOM 287 CZ2 TRP H 33 15.957 15.217 7.975 1.00 22.05 C ATOM 288 CZ3 TRP H 33 14.199 13.678 8.598 1.00 21.20 C ATOM 289 CH2 TRP H 33 14.710 14.690 7.773 1.00 21.25 C ATOM 290 HE1 TRP H 33 18.584 15.757 9.015 1.00 0.00 H ATOM 291 H TRP H 33 19.658 11.938 11.228 1.00 0.00 H ATOM 292 N MET H 34 17.342 11.146 14.823 1.00 20.80 N ATOM 293 CA MET H 34 16.900 10.012 15.628 1.00 20.69 C ATOM 294 C MET H 34 15.381 9.943 15.725 1.00 20.38 C ATOM 295 O MET H 34 14.678 10.949 15.644 1.00 21.71 O ATOM 296 CB MET H 34 17.560 10.040 17.012 1.00 21.72 C ATOM 297 CG MET H 34 19.059 9.751 16.980 1.00 22.20 C ATOM 298 SD MET H 34 19.538 8.121 16.380 1.00 26.75 S ATOM 299 CE MET H 34 18.785 6.998 17.535 1.00 27.30 C ATOM 300 H MET H 34 17.056 12.108 15.095 1.00 0.00 H ATOM 301 N ASN H 35 14.884 8.720 15.832 1.00 19.19 N ATOM 302 CA ASN H 35 13.443 8.444 15.920 1.00 17.71 C ATOM 303 C ASN H 35 13.124 7.578 17.149 1.00 17.14 C ATOM 304 O ASN H 35 13.984 6.794 17.593 1.00 17.33 O ATOM 305 CB ASN H 35 12.944 7.665 14.702 1.00 18.31 C ATOM 306 CG ASN H 35 13.291 8.318 13.381 1.00 18.36 C ATOM 307 OD1 ASN H 35 12.485 9.089 12.847 1.00 20.31 O ATOM 308 ND2 ASN H 35 14.478 8.002 12.844 1.00 19.04 N ATOM 309 HD22 ASN H 35 15.115 7.347 13.340 1.00 0.00 H ATOM 310 HD21 ASN H 35 14.762 8.412 11.931 1.00 0.00 H ATOM 311 H ASN H 35 15.545 7.917 15.855 1.00 0.00 H ATOM 312 N TRP H 36 11.889 7.689 17.642 1.00 16.78 N ATOM 313 CA TRP H 36 11.289 6.670 18.515 1.00 17.52 C ATOM 314 C TRP H 36 10.218 5.978 17.714 1.00 17.79 C ATOM 315 O TRP H 36 9.421 6.643 17.007 1.00 18.50 O ATOM 316 CB TRP H 36 10.700 7.272 19.811 1.00 17.78 C ATOM 317 CG TRP H 36 11.748 7.694 20.774 1.00 18.33 C ATOM 318 CD1 TRP H 36 12.336 8.938 20.861 1.00 19.49 C ATOM 319 CD2 TRP H 36 12.381 6.893 21.782 1.00 18.24 C ATOM 320 NE1 TRP H 36 13.255 8.961 21.869 1.00 19.39 N ATOM 321 CE2 TRP H 36 13.315 7.722 22.447 1.00 18.75 C ATOM 322 CE3 TRP H 36 12.246 5.561 22.194 1.00 18.13 C ATOM 323 CZ2 TRP H 36 14.124 7.258 23.487 1.00 18.53 C ATOM 324 CZ3 TRP H 36 13.055 5.100 23.223 1.00 18.94 C ATOM 325 CH2 TRP H 36 13.968 5.955 23.869 1.00 18.84 C ATOM 326 HE1 TRP H 36 13.819 9.787 22.153 1.00 0.00 H ATOM 327 H TRP H 36 11.328 8.530 17.399 1.00 0.00 H ATOM 328 N VAL H 37 10.165 4.655 17.879 1.00 17.42 N ATOM 329 CA VAL H 37 9.177 3.793 17.265 1.00 17.63 C ATOM 330 C VAL H 37 8.722 2.825 18.355 1.00 17.85 C ATOM 331 O VAL H 37 9.543 2.323 19.132 1.00 18.82 O ATOM 332 CB VAL H 37 9.791 3.006 16.078 1.00 17.83 C ATOM 333 CG1 VAL H 37 8.795 2.005 15.499 1.00 18.77 C ATOM 334 CG2 VAL H 37 10.323 3.936 14.972 1.00 18.34 C ATOM 335 H VAL H 37 10.882 4.213 18.490 1.00 0.00 H ATOM 336 N ARG H 38 7.424 2.567 18.428 1.00 17.93 N ATOM 337 CA ARG H 38 6.935 1.639 19.427 1.00 19.50 C ATOM 338 C ARG H 38 6.199 0.455 18.836 1.00 20.94 C ATOM 339 O ARG H 38 5.589 0.547 17.753 1.00 20.43 O ATOM 340 CB ARG H 38 6.036 2.360 20.435 1.00 20.34 C ATOM 341 CG ARG H 38 4.742 2.906 19.856 1.00 20.02 C ATOM 342 CD ARG H 38 4.075 3.891 20.805 1.00 21.08 C ATOM 343 NE ARG H 38 2.814 4.376 20.252 1.00 21.67 N ATOM 344 CZ ARG H 38 1.960 5.179 20.885 1.00 22.84 C ATOM 345 NH1 ARG H 38 2.219 5.622 22.125 1.00 23.10 N ATOM 346 NH2 ARG H 38 0.820 5.534 20.284 1.00 24.27 N ATOM 347 HE ARG H 38 2.563 4.071 19.290 1.00 0.00 H ATOM 348 HH12 ARG H 38 1.542 6.248 22.605 1.00 0.00 H ATOM 349 HH11 ARG H 38 3.097 5.339 22.606 1.00 0.00 H ATOM 350 HH22 ARG H 38 0.148 6.161 20.772 1.00 0.00 H ATOM 351 HH21 ARG H 38 0.605 5.184 19.329 1.00 0.00 H ATOM 352 H ARG H 38 6.761 3.028 17.772 1.00 0.00 H ATOM 353 N GLN H 39 6.219 -0.633 19.593 1.00 21.34 N ATOM 354 CA GLN H 39 5.607 -1.888 19.176 1.00 23.14 C ATOM 355 C GLN H 39 4.544 -2.360 20.179 1.00 24.03 C ATOM 356 O GLN H 39 4.844 -2.613 21.350 1.00 23.06 O ATOM 357 CB GLN H 39 6.686 -2.954 19.023 1.00 22.43 C ATOM 358 CG GLN H 39 6.170 -4.288 18.504 1.00 23.61 C ATOM 359 CD GLN H 39 7.241 -5.343 18.413 1.00 24.33 C ATOM 360 OE1 GLN H 39 8.241 -5.305 19.134 1.00 24.96 O ATOM 361 NE2 GLN H 39 7.011 -6.340 17.548 1.00 25.11 N ATOM 362 HE22 GLN H 39 6.154 -6.330 16.960 1.00 0.00 H ATOM 363 HE21 GLN H 39 7.690 -7.123 17.465 1.00 0.00 H ATOM 364 H GLN H 39 6.689 -0.589 20.520 1.00 0.00 H ATOM 365 N SER H 40 3.308 -2.520 19.721 1.00 26.78 N ATOM 366 CA SER H 40 2.315 -3.248 20.529 1.00 32.56 C ATOM 367 C SER H 40 1.782 -4.490 19.809 1.00 39.18 C ATOM 368 O SER H 40 1.754 -4.536 18.559 1.00 39.76 O ATOM 369 CB SER H 40 1.165 -2.318 20.904 1.00 33.16 C ATOM 370 OG SER H 40 0.503 -1.814 19.776 1.00 33.49 O ATOM 371 HG SER H 40 -0.233 -1.218 20.065 1.00 0.00 H ATOM 372 H SER H 40 3.042 -2.132 18.794 1.00 0.00 H ATOM 373 N PRO H 41 1.317 -5.500 20.583 1.00 46.85 N ATOM 374 CA PRO H 41 0.645 -6.630 19.931 1.00 49.12 C ATOM 375 C PRO H 41 -0.436 -6.149 18.969 1.00 51.47 C ATOM 376 O PRO H 41 -0.505 -6.630 17.833 1.00 53.78 O ATOM 377 CB PRO H 41 0.033 -7.405 21.098 1.00 46.42 C ATOM 378 CG PRO H 41 0.832 -7.005 22.282 1.00 46.63 C ATOM 379 CD PRO H 41 1.206 -5.576 22.047 1.00 44.25 C ATOM 380 N GLU H 42 -1.203 -5.152 19.412 1.00 57.66 N ATOM 381 CA GLU H 42 -2.396 -4.644 18.700 1.00 64.40 C ATOM 382 C GLU H 42 -2.178 -3.693 17.491 1.00 66.75 C ATOM 383 O GLU H 42 -2.998 -3.682 16.564 1.00 66.75 O ATOM 384 CB GLU H 42 -3.314 -3.943 19.703 1.00 69.63 C ATOM 385 CG GLU H 42 -3.588 -4.768 20.955 1.00 77.52 C ATOM 386 CD GLU H 42 -5.011 -4.630 21.463 1.00 87.83 C ATOM 387 OE1 GLU H 42 -5.943 -4.501 20.628 1.00 95.78 O ATOM 388 OE2 GLU H 42 -5.198 -4.666 22.701 1.00 93.08 O ATOM 389 H GLU H 42 -0.946 -4.704 20.315 1.00 0.00 H ATOM 390 N LYS H 43 -1.105 -2.893 17.497 1.00 65.91 N ATOM 391 CA LYS H 43 -0.869 -1.893 16.429 1.00 63.00 C ATOM 392 C LYS H 43 0.453 -2.056 15.657 1.00 54.10 C ATOM 393 O LYS H 43 0.858 -1.139 14.938 1.00 52.12 O ATOM 394 CB LYS H 43 -0.962 -0.469 17.012 1.00 69.53 C ATOM 395 CG LYS H 43 -2.296 -0.161 17.676 1.00 74.62 C ATOM 396 CD LYS H 43 -2.443 1.317 18.012 1.00 79.51 C ATOM 397 CE LYS H 43 -1.579 1.737 19.197 1.00 80.82 C ATOM 398 NZ LYS H 43 -1.988 3.072 19.729 1.00 80.37 N ATOM 399 HZ1 LYS H 43 -1.890 3.787 18.980 1.00 0.00 H ATOM 400 HZ2 LYS H 43 -2.979 3.030 20.042 1.00 0.00 H ATOM 401 HZ3 LYS H 43 -1.379 3.325 20.533 1.00 0.00 H ATOM 402 H LYS H 43 -0.418 -2.975 18.273 1.00 0.00 H ATOM 403 N GLY H 44 1.111 -3.212 15.792 1.00 45.12 N ATOM 404 CA GLY H 44 2.375 -3.499 15.091 1.00 38.77 C ATOM 405 C GLY H 44 3.474 -2.504 15.465 1.00 33.54 C ATOM 406 O GLY H 44 3.580 -2.134 16.649 1.00 31.71 O ATOM 407 H GLY H 44 0.713 -3.940 16.419 1.00 0.00 H ATOM 408 N LEU H 45 4.269 -2.062 14.474 1.00 26.55 N ATOM 409 CA LEU H 45 5.205 -0.943 14.669 1.00 23.68 C ATOM 410 C LEU H 45 4.524 0.382 14.352 1.00 22.73 C ATOM 411 O LEU H 45 3.811 0.514 13.357 1.00 21.80 O ATOM 412 CB LEU H 45 6.455 -1.061 13.808 1.00 23.42 C ATOM 413 CG LEU H 45 7.431 -2.178 14.078 1.00 23.29 C ATOM 414 CD1 LEU H 45 8.643 -2.017 13.167 1.00 21.95 C ATOM 415 CD2 LEU H 45 7.853 -2.162 15.534 1.00 23.93 C ATOM 416 H LEU H 45 4.221 -2.524 13.544 1.00 0.00 H ATOM 417 N GLU H 46 4.723 1.359 15.229 1.00 21.00 N ATOM 418 CA GLU H 46 4.219 2.705 15.028 1.00 21.01 C ATOM 419 C GLU H 46 5.330 3.736 15.214 1.00 19.95 C ATOM 420 O GLU H 46 5.890 3.852 16.302 1.00 19.09 O ATOM 421 CB GLU H 46 3.113 2.951 16.026 1.00 22.42 C ATOM 422 CG GLU H 46 2.399 4.267 15.851 1.00 24.89 C ATOM 423 CD GLU H 46 1.309 4.501 16.880 1.00 26.71 C ATOM 424 OE1 GLU H 46 1.273 3.783 17.898 1.00 27.65 O ATOM 425 OE2 GLU H 46 0.503 5.433 16.635 1.00 29.56 O ATOM 426 H GLU H 46 5.261 1.151 16.094 1.00 0.00 H ATOM 427 N TRP H 47 5.622 4.509 14.177 1.00 19.09 N ATOM 428 CA TRP H 47 6.546 5.632 14.327 1.00 19.07 C ATOM 429 C TRP H 47 5.921 6.711 15.224 1.00 19.88 C ATOM 430 O TRP H 47 4.741 7.059 15.059 1.00 20.16 O ATOM 431 CB TRP H 47 6.891 6.199 12.974 1.00 19.37 C ATOM 432 CG TRP H 47 7.753 7.406 13.036 1.00 19.49 C ATOM 433 CD1 TRP H 47 9.105 7.456 13.105 1.00 19.15 C ATOM 434 CD2 TRP H 47 7.308 8.751 12.923 1.00 20.34 C ATOM 435 NE1 TRP H 47 9.539 8.768 13.074 1.00 19.64 N ATOM 436 CE2 TRP H 47 8.442 9.579 12.970 1.00 20.66 C ATOM 437 CE3 TRP H 47 6.049 9.338 12.800 1.00 21.51 C ATOM 438 CZ2 TRP H 47 8.353 10.973 12.887 1.00 22.34 C ATOM 439 CZ3 TRP H 47 5.972 10.725 12.732 1.00 22.79 C ATOM 440 CH2 TRP H 47 7.108 11.513 12.774 1.00 22.61 C ATOM 441 HE1 TRP H 47 10.529 9.084 13.122 1.00 0.00 H ATOM 442 H TRP H 47 5.191 4.315 13.251 1.00 0.00 H ATOM 443 N VAL H 48 6.710 7.192 16.184 1.00 20.27 N ATOM 444 CA VAL H 48 6.261 8.135 17.219 1.00 22.00 C ATOM 445 C VAL H 48 6.784 9.565 17.029 1.00 19.90 C ATOM 446 O VAL H 48 6.043 10.534 17.165 1.00 19.61 O ATOM 447 CB VAL H 48 6.737 7.654 18.631 1.00 23.46 C ATOM 448 CG1 VAL H 48 6.358 8.649 19.710 1.00 26.44 C ATOM 449 CG2 VAL H 48 6.196 6.283 18.960 1.00 25.48 C ATOM 450 H VAL H 48 7.703 6.882 16.202 1.00 0.00 H ATOM 451 N ALA H 49 8.079 9.705 16.787 1.00 19.92 N ATOM 452 CA ALA H 49 8.693 11.027 16.750 1.00 19.68 C ATOM 453 C ALA H 49 10.044 10.956 16.091 1.00 21.04 C ATOM 454 O ALA H 49 10.705 9.891 16.098 1.00 19.20 O ATOM 455 CB ALA H 49 8.852 11.571 18.162 1.00 20.47 C ATOM 456 H ALA H 49 8.665 8.862 16.621 1.00 0.00 H ATOM 457 N GLU H 50 10.454 12.105 15.547 1.00 21.43 N ATOM 458 CA GLU H 50 11.797 12.288 15.044 1.00 21.16 C ATOM 459 C GLU H 50 12.362 13.588 15.581 1.00 20.83 C ATOM 460 O GLU H 50 11.616 14.528 15.882 1.00 20.69 O ATOM 461 CB GLU H 50 11.822 12.328 13.514 1.00 22.33 C ATOM 462 CG GLU H 50 11.448 13.691 12.962 1.00 23.77 C ATOM 463 CD GLU H 50 11.524 13.865 11.453 1.00 24.97 C ATOM 464 OE1 GLU H 50 11.558 12.880 10.677 1.00 24.40 O ATOM 465 OE2 GLU H 50 11.530 15.050 11.055 1.00 22.52 O ATOM 466 H GLU H 50 9.783 12.897 15.483 1.00 0.00 H ATOM 467 N ILE H 51 13.688 13.631 15.613 1.00 20.45 N ATOM 468 CA ILE H 51 14.439 14.842 15.903 1.00 21.06 C ATOM 469 C ILE H 51 15.631 14.912 14.955 1.00 22.09 C ATOM 470 O ILE H 51 16.343 13.938 14.736 1.00 22.13 O ATOM 471 CB ILE H 51 14.846 14.924 17.405 1.00 21.34 C ATOM 472 CG1 ILE H 51 15.613 16.221 17.701 1.00 21.99 C ATOM 473 CG2 ILE H 51 15.682 13.720 17.830 1.00 20.50 C ATOM 474 CD1 ILE H 51 15.618 16.563 19.178 1.00 22.70 C ATOM 475 H ILE H 51 14.216 12.756 15.421 1.00 0.00 H ATOM 476 N ARG H 52 15.832 16.089 14.383 1.00 22.66 N ATOM 477 CA ARG H 52 16.879 16.278 13.414 1.00 25.92 C ATOM 478 C ARG H 52 18.068 16.885 14.174 1.00 25.91 C ATOM 479 O ARG H 52 18.375 16.535 15.341 1.00 23.80 O ATOM 480 CB ARG H 52 16.375 17.165 12.277 1.00 29.02 C ATOM 481 CG ARG H 52 14.863 17.201 12.157 1.00 33.60 C ATOM 482 CD ARG H 52 14.184 16.450 11.049 1.00 34.79 C ATOM 483 NE ARG H 52 14.092 17.263 9.864 1.00 33.75 N ATOM 484 CZ ARG H 52 13.211 17.154 8.855 1.00 33.66 C ATOM 485 NH1 ARG H 52 12.207 16.297 8.813 1.00 33.20 N ATOM 486 NH2 ARG H 52 13.365 17.971 7.837 1.00 31.81 N ATOM 487 HE ARG H 52 14.792 18.027 9.779 1.00 0.00 H ATOM 488 HH12 ARG H 52 11.571 16.281 7.990 1.00 0.00 H ATOM 489 HH11 ARG H 52 12.052 15.638 9.603 1.00 0.00 H ATOM 490 HH22 ARG H 52 12.709 17.927 7.031 1.00 0.00 H ATOM 491 HH21 ARG H 52 14.142 18.662 7.838 1.00 0.00 H ATOM 492 H ARG H 52 15.222 16.892 14.639 1.00 0.00 H ATOM 493 N LEU H 52A 19.079 17.673 13.304 1.00 26.66 N ATOM 494 CA LEU H 52A 20.400 17.913 13.835 1.00 25.70 C ATOM 495 C LEU H 52A 20.380 19.280 14.514 1.00 25.38 C ATOM 496 O LEU H 52A 19.433 20.048 14.371 1.00 24.68 O ATOM 497 CB LEU H 52A 21.410 17.888 12.702 1.00 26.89 C ATOM 498 CG LEU H 52A 21.269 16.716 11.724 1.00 26.31 C ATOM 499 CD1 LEU H 52A 22.356 16.788 10.651 1.00 28.12 C ATOM 500 CD2 LEU H 52A 21.326 15.397 12.470 1.00 26.56 C ATOM 501 H LEU H 52A 18.813 18.021 12.361 1.00 0.00 H ATOM 502 N LYS H 52B 21.661 19.564 15.174 1.00 30.30 N ATOM 503 CA LYS H 52B 21.917 20.884 15.768 1.00 32.52 C ATOM 504 C LYS H 52B 21.758 21.995 14.739 1.00 31.59 C ATOM 505 O LYS H 52B 21.071 22.988 14.938 1.00 32.96 O ATOM 506 CB LYS H 52B 23.327 20.890 16.315 1.00 35.21 C ATOM 507 CG LYS H 52B 23.720 22.221 16.944 1.00 39.61 C ATOM 508 CD LYS H 52B 25.032 22.072 17.691 1.00 43.90 C ATOM 509 CE LYS H 52B 25.413 23.354 18.416 1.00 48.72 C ATOM 510 NZ LYS H 52B 26.818 23.239 18.902 1.00 53.10 N ATOM 511 HZ1 LYS H 52B 26.893 22.432 19.553 1.00 0.00 H ATOM 512 HZ2 LYS H 52B 27.453 23.092 18.092 1.00 0.00 H ATOM 513 HZ3 LYS H 52B 27.084 24.113 19.399 1.00 0.00 H ATOM 514 H LYS H 52B 22.392 18.826 15.221 1.00 0.00 H ATOM 515 N SER H 52C 22.089 21.527 13.182 1.00 29.87 N ATOM 516 CA SER H 52C 22.031 22.565 12.164 1.00 31.74 C ATOM 517 C SER H 52C 20.588 22.822 11.730 1.00 33.70 C ATOM 518 O SER H 52C 20.323 23.761 10.988 1.00 34.57 O ATOM 519 CB SER H 52C 22.876 22.135 10.982 1.00 32.60 C ATOM 520 OG SER H 52C 22.548 20.812 10.609 1.00 29.14 O ATOM 521 HG SER H 52C 23.105 20.540 9.837 1.00 0.00 H ATOM 522 H SER H 52C 22.326 20.542 12.946 1.00 0.00 H ATOM 523 N ASN H 53 19.655 22.000 12.218 1.00 31.88 N ATOM 524 CA ASN H 53 18.228 22.192 11.968 1.00 31.92 C ATOM 525 C ASN H 53 17.552 22.737 13.219 1.00 32.04 C ATOM 526 O ASN H 53 16.338 22.686 13.341 1.00 30.43 O ATOM 527 CB ASN H 53 17.589 20.845 11.552 1.00 31.91 C ATOM 528 CG ASN H 53 18.405 20.116 10.483 1.00 32.11 C ATOM 529 OD1 ASN H 53 18.892 18.991 10.675 1.00 30.67 O ATOM 530 ND2 ASN H 53 18.588 20.781 9.352 1.00 33.25 N ATOM 531 HD22 ASN H 53 18.164 21.722 9.228 1.00 0.00 H ATOM 532 HD21 ASN H 53 19.156 20.362 8.588 1.00 0.00 H ATOM 533 H ASN H 53 19.956 21.191 12.799 1.00 0.00 H ATOM 534 N ASN H 54 18.350 23.267 14.149 1.00 33.16 N ATOM 535 CA ASN H 54 17.850 23.706 15.446 1.00 35.26 C ATOM 536 C ASN H 54 16.991 22.617 16.060 1.00 31.42 C ATOM 537 O ASN H 54 15.933 22.884 16.640 1.00 30.71 O ATOM 538 CB ASN H 54 17.089 25.027 15.306 1.00 41.63 C ATOM 539 CG ASN H 54 17.980 26.145 14.766 1.00 47.66 C ATOM 540 OD1 ASN H 54 19.164 26.258 15.137 1.00 51.47 O ATOM 541 ND2 ASN H 54 17.426 26.964 13.867 1.00 51.11 N ATOM 542 HD22 ASN H 54 16.433 26.833 13.586 1.00 0.00 H ATOM 543 HD21 ASN H 54 17.988 27.733 13.448 1.00 0.00 H ATOM 544 H ASN H 54 19.364 23.370 13.941 1.00 0.00 H ATOM 545 N TYR H 55 17.449 21.379 15.889 1.00 28.40 N ATOM 546 CA TYR H 55 16.834 20.226 16.517 1.00 27.10 C ATOM 547 C TYR H 55 15.331 20.117 16.277 1.00 26.13 C ATOM 548 O TYR H 55 14.575 19.748 17.178 1.00 26.15 O ATOM 549 CB TYR H 55 17.124 20.265 18.006 1.00 27.92 C ATOM 550 CG TYR H 55 18.580 20.173 18.361 1.00 28.86 C ATOM 551 CD1 TYR H 55 19.320 19.048 18.036 1.00 28.18 C ATOM 552 CD2 TYR H 55 19.206 21.183 19.074 1.00 30.00 C ATOM 553 CE1 TYR H 55 20.656 18.940 18.391 1.00 29.52 C ATOM 554 CE2 TYR H 55 20.545 21.094 19.415 1.00 31.08 C ATOM 555 CZ TYR H 55 21.266 19.964 19.090 1.00 30.74 C ATOM 556 OH TYR H 55 22.604 19.863 19.427 1.00 31.84 O ATOM 557 HH TYR H 55 22.701 19.929 20.410 1.00 0.00 H ATOM 558 H TYR H 55 18.280 21.233 15.281 1.00 0.00 H ATOM 559 N ALA H 56 14.918 20.400 15.045 1.00 25.73 N ATOM 560 CA ALA H 56 13.516 20.322 14.649 1.00 26.01 C ATOM 561 C ALA H 56 12.919 18.941 14.927 1.00 24.49 C ATOM 562 O ALA H 56 13.562 17.914 14.712 1.00 23.73 O ATOM 563 CB ALA H 56 13.358 20.667 13.174 1.00 26.71 C ATOM 564 H ALA H 56 15.622 20.688 14.336 1.00 0.00 H ATOM 565 N THR H 57 11.678 18.943 15.401 1.00 24.88 N ATOM 566 CA THR H 57 10.979 17.728 15.761 1.00 25.63 C ATOM 567 C THR H 57 9.684 17.586 14.978 1.00 27.35 C ATOM 568 O THR H 57 9.091 18.584 14.534 1.00 27.74 O ATOM 569 CB THR H 57 10.620 17.734 17.274 1.00 25.48 C ATOM 570 OG1 THR H 57 9.755 18.851 17.567 1.00 26.37 O ATOM 571 CG2 THR H 57 11.879 17.824 18.120 1.00 25.01 C ATOM 572 HG1 THR H 57 9.530 18.849 18.531 1.00 0.00 H ATOM 573 H THR H 57 11.189 19.854 15.518 1.00 0.00 H ATOM 574 N HIS H 58 9.253 16.340 14.810 1.00 26.89 N ATOM 575 CA HIS H 58 7.918 16.030 14.286 1.00 28.36 C ATOM 576 C HIS H 58 7.395 14.830 15.054 1.00 25.65 C ATOM 577 O HIS H 58 8.163 13.966 15.516 1.00 23.58 O ATOM 578 CB HIS H 58 7.914 15.679 12.782 1.00 30.11 C ATOM 579 CG HIS H 58 8.330 16.789 11.864 1.00 34.97 C ATOM 580 ND1 HIS H 58 9.638 16.954 11.443 1.00 36.33 N ATOM 581 CD2 HIS H 58 7.606 17.731 11.210 1.00 37.26 C ATOM 582 CE1 HIS H 58 9.708 17.973 10.599 1.00 37.93 C ATOM 583 NE2 HIS H 58 8.490 18.457 10.435 1.00 36.52 N ATOM 584 H HIS H 58 9.887 15.554 15.060 1.00 0.00 H ATOM 585 N TYR H 59 6.080 14.781 15.180 1.00 25.16 N ATOM 586 CA TYR H 59 5.399 13.747 15.961 1.00 25.04 C ATOM 587 C TYR H 59 4.275 13.084 15.201 1.00 25.32 C ATOM 588 O TYR H 59 3.637 13.713 14.353 1.00 25.79 O ATOM 589 CB TYR H 59 4.816 14.365 17.231 1.00 24.94 C ATOM 590 CG TYR H 59 5.857 14.977 18.106 1.00 24.40 C ATOM 591 CD1 TYR H 59 6.263 16.294 17.922 1.00 25.30 C ATOM 592 CD2 TYR H 59 6.478 14.230 19.105 1.00 23.51 C ATOM 593 CE1 TYR H 59 7.244 16.860 18.719 1.00 25.62 C ATOM 594 CE2 TYR H 59 7.473 14.776 19.889 1.00 22.75 C ATOM 595 CZ TYR H 59 7.848 16.096 19.701 1.00 24.00 C ATOM 596 OH TYR H 59 8.830 16.633 20.485 1.00 23.94 O ATOM 597 HH TYR H 59 8.978 17.577 20.226 1.00 0.00 H ATOM 598 H TYR H 59 5.506 15.507 14.705 1.00 0.00 H ATOM 599 N ALA H 60 4.017 11.819 15.521 1.00 24.06 N ATOM 600 CA ALA H 60 2.779 11.183 15.084 1.00 24.43 C ATOM 601 C ALA H 60 1.569 11.897 15.705 1.00 26.42 C ATOM 602 O ALA H 60 1.596 12.352 16.857 1.00 24.84 O ATOM 603 CB ALA H 60 2.778 9.701 15.450 1.00 25.01 C ATOM 604 H ALA H 60 4.703 11.279 16.087 1.00 0.00 H ATOM 605 N GLU H 61 0.485 11.975 14.952 1.00 29.43 N ATOM 606 CA GLU H 61 -0.709 12.613 15.468 1.00 32.99 C ATOM 607 C GLU H 61 -1.154 11.957 16.791 1.00 31.45 C ATOM 608 O GLU H 61 -1.712 12.620 17.663 1.00 30.80 O ATOM 609 CB GLU H 61 -1.822 12.565 14.404 1.00 37.17 C ATOM 610 CG GLU H 61 -2.833 13.691 14.517 1.00 45.04 C ATOM 611 CD GLU H 61 -2.224 15.080 14.351 1.00 50.22 C ATOM 612 OE1 GLU H 61 -1.184 15.233 13.657 1.00 53.55 O ATOM 613 OE2 GLU H 61 -2.802 16.029 14.927 1.00 57.63 O ATOM 614 H GLU H 61 0.489 11.579 13.990 1.00 0.00 H ATOM 615 N SER H 62 -0.861 10.661 16.957 1.00 30.77 N ATOM 616 CA SER H 62 -1.306 9.912 18.140 1.00 30.08 C ATOM 617 C SER H 62 -0.692 10.387 19.456 1.00 29.84 C ATOM 618 O SER H 62 -1.197 10.061 20.527 1.00 29.14 O ATOM 619 CB SER H 62 -1.002 8.419 17.971 1.00 29.73 C ATOM 620 OG SER H 62 0.384 8.160 17.763 1.00 26.96 O ATOM 621 HG SER H 62 0.525 7.185 17.660 1.00 0.00 H ATOM 622 H SER H 62 -0.303 10.171 16.229 1.00 0.00 H ATOM 623 N VAL H 63 0.439 11.095 19.370 1.00 27.58 N ATOM 624 CA VAL H 63 1.159 11.531 20.558 1.00 26.31 C ATOM 625 C VAL H 63 1.400 13.031 20.607 1.00 28.34 C ATOM 626 O VAL H 63 1.964 13.523 21.589 1.00 25.97 O ATOM 627 CB VAL H 63 2.517 10.811 20.698 1.00 25.00 C ATOM 628 CG1 VAL H 63 2.311 9.307 20.645 1.00 24.85 C ATOM 629 CG2 VAL H 63 3.518 11.266 19.640 1.00 25.70 C ATOM 630 H VAL H 63 0.814 11.340 18.431 1.00 0.00 H ATOM 631 N LYS H 64 1.000 13.730 19.551 1.00 29.53 N ATOM 632 CA LYS H 64 1.213 15.173 19.448 1.00 34.45 C ATOM 633 C LYS H 64 0.569 15.869 20.640 1.00 32.57 C ATOM 634 O LYS H 64 -0.567 15.561 21.013 1.00 32.57 O ATOM 635 CB LYS H 64 0.637 15.727 18.135 1.00 37.88 C ATOM 636 CG LYS H 64 1.364 16.965 17.605 1.00 41.32 C ATOM 637 CD LYS H 64 0.888 17.374 16.211 1.00 43.22 C ATOM 638 CE LYS H 64 1.697 18.538 15.661 1.00 43.13 C ATOM 639 NZ LYS H 64 1.557 18.672 14.184 1.00 43.59 N ATOM 640 HZ1 LYS H 64 1.890 17.800 13.725 1.00 0.00 H ATOM 641 HZ2 LYS H 64 0.557 18.831 13.945 1.00 0.00 H ATOM 642 HZ3 LYS H 64 2.126 19.478 13.855 1.00 0.00 H ATOM 643 H LYS H 64 0.520 13.235 18.772 1.00 0.00 H ATOM 644 N GLY H 65 1.321 16.782 21.244 1.00 34.05 N ATOM 645 CA GLY H 65 0.880 17.505 22.436 1.00 32.92 C ATOM 646 C GLY H 65 1.063 16.778 23.753 1.00 33.00 C ATOM 647 O GLY H 65 0.810 17.346 24.819 1.00 34.13 O ATOM 648 H GLY H 65 2.262 16.991 20.853 1.00 0.00 H ATOM 649 N ARG H 66 1.477 15.513 23.704 1.00 28.45 N ATOM 650 CA ARG H 66 1.687 14.738 24.908 1.00 27.99 C ATOM 651 C ARG H 66 3.147 14.320 25.073 1.00 26.51 C ATOM 652 O ARG H 66 3.648 14.229 26.189 1.00 25.71 O ATOM 653 CB ARG H 66 0.790 13.518 24.876 1.00 29.80 C ATOM 654 CG ARG H 66 -0.706 13.835 24.730 1.00 32.83 C ATOM 655 CD ARG H 66 -1.452 12.630 24.150 1.00 34.61 C ATOM 656 NE ARG H 66 -1.220 11.550 25.040 1.00 35.05 N ATOM 657 CZ ARG H 66 -0.791 10.324 24.773 1.00 31.17 C ATOM 658 NH1 ARG H 66 -0.612 9.805 23.546 1.00 32.39 N ATOM 659 NH2 ARG H 66 -0.573 9.580 25.816 1.00 29.98 N ATOM 660 HE ARG H 66 -1.414 11.747 26.043 1.00 0.00 H ATOM 661 HH12 ARG H 66 -0.270 8.829 23.439 1.00 0.00 H ATOM 662 HH11 ARG H 66 -0.815 10.380 22.704 1.00 0.00 H ATOM 663 HH22 ARG H 66 -0.235 8.604 25.697 1.00 0.00 H ATOM 664 HH21 ARG H 66 -0.737 9.961 26.770 1.00 0.00 H ATOM 665 H ARG H 66 1.653 15.072 22.779 1.00 0.00 H ATOM 666 N PHE H 67 3.820 14.023 23.967 1.00 24.58 N ATOM 667 CA PHE H 67 5.210 13.550 24.012 1.00 24.81 C ATOM 668 C PHE H 67 6.165 14.636 23.513 1.00 23.91 C ATOM 669 O PHE H 67 5.811 15.442 22.657 1.00 26.07 O ATOM 670 CB PHE H 67 5.423 12.284 23.148 1.00 24.99 C ATOM 671 CG PHE H 67 4.745 11.009 23.657 1.00 25.06 C ATOM 672 CD1 PHE H 67 3.833 11.001 24.717 1.00 25.09 C ATOM 673 CD2 PHE H 67 5.008 9.792 22.998 1.00 24.67 C ATOM 674 CE1 PHE H 67 3.237 9.823 25.137 1.00 24.99 C ATOM 675 CE2 PHE H 67 4.392 8.617 23.403 1.00 25.08 C ATOM 676 CZ PHE H 67 3.503 8.627 24.458 1.00 25.08 C ATOM 677 H PHE H 67 3.351 14.128 23.045 1.00 0.00 H ATOM 678 N THR H 68 7.393 14.610 24.021 1.00 23.70 N ATOM 679 CA THR H 68 8.458 15.509 23.574 1.00 23.59 C ATOM 680 C THR H 68 9.737 14.714 23.368 1.00 22.90 C ATOM 681 O THR H 68 10.223 14.039 24.283 1.00 22.38 O ATOM 682 CB THR H 68 8.761 16.590 24.610 1.00 25.64 C ATOM 683 OG1 THR H 68 7.544 17.277 24.949 1.00 24.60 O ATOM 684 CG2 THR H 68 9.832 17.542 24.094 1.00 25.75 C ATOM 685 HG1 THR H 68 7.738 17.978 25.620 1.00 0.00 H ATOM 686 H THR H 68 7.607 13.920 24.769 1.00 0.00 H ATOM 687 N ILE H 69 10.299 14.820 22.179 1.00 21.89 N ATOM 688 CA ILE H 69 11.566 14.172 21.885 1.00 20.75 C ATOM 689 C ILE H 69 12.645 15.219 22.023 1.00 21.88 C ATOM 690 O ILE H 69 12.441 16.372 21.632 1.00 20.08 O ATOM 691 CB ILE H 69 11.573 13.494 20.480 1.00 21.28 C ATOM 692 CG1 ILE H 69 12.877 12.723 20.226 1.00 20.45 C ATOM 693 CG2 ILE H 69 11.270 14.496 19.363 1.00 21.41 C ATOM 694 CD1 ILE H 69 12.868 11.971 18.900 1.00 22.52 C ATOM 695 H ILE H 69 9.827 15.377 21.439 1.00 0.00 H ATOM 696 N SER H 70 13.786 14.803 22.566 1.00 21.43 N ATOM 697 CA SER H 70 14.956 15.663 22.684 1.00 22.32 C ATOM 698 C SER H 70 16.244 14.843 22.578 1.00 22.46 C ATOM 699 O SER H 70 16.237 13.600 22.620 1.00 22.13 O ATOM 700 CB SER H 70 14.894 16.425 24.007 1.00 22.39 C ATOM 701 OG SER H 70 15.015 15.547 25.112 1.00 21.99 O ATOM 702 HG SER H 70 14.276 14.889 25.092 1.00 0.00 H ATOM 703 H SER H 70 13.845 13.827 22.920 1.00 0.00 H ATOM 704 N ARG H 71 17.363 15.532 22.424 1.00 22.17 N ATOM 705 CA ARG H 71 18.647 14.885 22.338 1.00 21.80 C ATOM 706 C ARG H 71 19.723 15.707 23.019 1.00 25.08 C ATOM 707 O ARG H 71 19.602 16.932 23.160 1.00 24.64 O ATOM 708 CB ARG H 71 19.063 14.619 20.880 1.00 20.87 C ATOM 709 CG ARG H 71 19.327 15.853 19.998 1.00 21.57 C ATOM 710 CD ARG H 71 19.376 15.511 18.500 1.00 21.97 C ATOM 711 NE ARG H 71 20.516 14.675 18.143 1.00 21.83 N ATOM 712 CZ ARG H 71 20.619 13.952 17.021 1.00 22.36 C ATOM 713 NH1 ARG H 71 19.660 13.993 16.107 1.00 21.62 N ATOM 714 NH2 ARG H 71 21.697 13.194 16.806 1.00 22.18 N ATOM 715 HE ARG H 71 21.311 14.637 18.812 1.00 0.00 H ATOM 716 HH12 ARG H 71 19.746 13.429 15.237 1.00 0.00 H ATOM 717 HH11 ARG H 71 18.822 14.589 16.259 1.00 0.00 H ATOM 718 HH22 ARG H 71 21.773 12.634 15.933 1.00 0.00 H ATOM 719 HH21 ARG H 71 22.461 13.164 17.511 1.00 0.00 H ATOM 720 H ARG H 71 17.314 16.569 22.363 1.00 0.00 H ATOM 721 N ASP H 72 20.771 14.999 23.411 1.00 25.04 N ATOM 722 CA ASP H 72 21.971 15.594 24.000 1.00 26.45 C ATOM 723 C ASP H 72 23.149 14.965 23.273 1.00 26.21 C ATOM 724 O ASP H 72 23.614 13.890 23.623 1.00 25.47 O ATOM 725 CB ASP H 72 22.003 15.343 25.523 1.00 26.80 C ATOM 726 CG ASP H 72 23.265 15.898 26.187 1.00 27.22 C ATOM 727 OD1 ASP H 72 24.151 16.384 25.444 1.00 28.04 O ATOM 728 OD2 ASP H 72 23.365 15.835 27.431 1.00 29.75 O ATOM 729 H ASP H 72 20.740 13.966 23.294 1.00 0.00 H ATOM 730 N ASP H 73 23.609 15.646 22.232 1.00 27.63 N ATOM 731 CA ASP H 73 24.736 15.169 21.413 1.00 27.57 C ATOM 732 C ASP H 73 26.015 14.967 22.246 1.00 29.56 C ATOM 733 O ASP H 73 26.788 14.078 21.943 1.00 28.02 O ATOM 734 CB ASP H 73 25.012 16.118 20.234 1.00 27.82 C ATOM 735 CG ASP H 73 23.891 16.109 19.161 1.00 28.12 C ATOM 736 OD1 ASP H 73 23.087 15.160 19.121 1.00 28.30 O ATOM 737 OD2 ASP H 73 23.816 17.067 18.361 1.00 28.73 O ATOM 738 H ASP H 73 23.157 16.550 21.985 1.00 0.00 H ATOM 739 N SER H 74 26.230 15.763 23.296 1.00 30.05 N ATOM 740 CA SER H 74 27.399 15.562 24.171 1.00 32.44 C ATOM 741 C SER H 74 27.366 14.213 24.928 1.00 32.84 C ATOM 742 O SER H 74 28.423 13.694 25.301 1.00 32.29 O ATOM 743 CB SER H 74 27.603 16.747 25.148 1.00 33.74 C ATOM 744 OG SER H 74 26.871 16.591 26.368 1.00 34.44 O ATOM 745 HG SER H 74 25.904 16.528 26.166 1.00 0.00 H ATOM 746 H SER H 74 25.564 16.535 23.499 1.00 0.00 H ATOM 747 N LYS H 75 26.168 13.665 25.150 1.00 31.82 N ATOM 748 CA LYS H 75 26.008 12.356 25.786 1.00 31.29 C ATOM 749 C LYS H 75 25.580 11.269 24.786 1.00 28.96 C ATOM 750 O LYS H 75 25.266 10.144 25.194 1.00 27.60 O ATOM 751 CB LYS H 75 24.979 12.416 26.921 1.00 33.18 C ATOM 752 CG LYS H 75 25.428 13.202 28.136 1.00 36.71 C ATOM 753 CD LYS H 75 24.491 12.984 29.319 1.00 39.21 C ATOM 754 CE LYS H 75 25.065 13.606 30.589 1.00 43.04 C ATOM 755 NZ LYS H 75 24.026 13.736 31.650 1.00 44.15 N ATOM 756 HZ1 LYS H 75 23.254 14.342 31.305 1.00 0.00 H ATOM 757 HZ2 LYS H 75 23.651 12.794 31.884 1.00 0.00 H ATOM 758 HZ3 LYS H 75 24.450 14.162 32.499 1.00 0.00 H ATOM 759 H LYS H 75 25.317 14.188 24.860 1.00 0.00 H ATOM 760 N SER H 76 25.571 11.588 23.498 1.00 27.38 N ATOM 761 CA SER H 76 25.164 10.604 22.479 1.00 27.95 C ATOM 762 C SER H 76 23.804 9.974 22.830 1.00 25.86 C ATOM 763 O SER H 76 23.599 8.769 22.662 1.00 25.36 O ATOM 764 CB SER H 76 26.257 9.520 22.310 1.00 30.85 C ATOM 765 OG SER H 76 27.493 10.095 21.874 1.00 33.19 O ATOM 766 HG SER H 76 28.171 9.381 21.775 1.00 0.00 H ATOM 767 H SER H 76 25.855 12.544 23.204 1.00 0.00 H ATOM 768 N SER H 77 22.875 10.803 23.292 1.00 23.96 N ATOM 769 CA SER H 77 21.607 10.320 23.822 1.00 23.62 C ATOM 770 C SER H 77 20.398 11.009 23.239 1.00 22.49 C ATOM 771 O SER H 77 20.427 12.202 22.921 1.00 22.69 O ATOM 772 CB SER H 77 21.580 10.465 25.346 1.00 25.08 C ATOM 773 OG SER H 77 22.576 9.647 25.938 1.00 25.95 O ATOM 774 HG SER H 77 22.546 9.752 26.922 1.00 0.00 H ATOM 775 H SER H 77 23.058 11.827 23.275 1.00 0.00 H ATOM 776 N VAL H 78 19.324 10.236 23.140 1.00 21.64 N ATOM 777 CA VAL H 78 18.018 10.745 22.732 1.00 21.11 C ATOM 778 C VAL H 78 17.011 10.385 23.806 1.00 20.27 C ATOM 779 O VAL H 78 17.179 9.402 24.499 1.00 20.72 O ATOM 780 CB VAL H 78 17.624 10.239 21.310 1.00 22.54 C ATOM 781 CG1 VAL H 78 17.441 8.738 21.246 1.00 23.28 C ATOM 782 CG2 VAL H 78 16.382 10.942 20.801 1.00 22.06 C ATOM 783 H VAL H 78 19.417 9.224 23.363 1.00 0.00 H ATOM 784 N TYR H 79 15.975 11.200 23.955 1.00 20.11 N ATOM 785 CA TYR H 79 15.035 11.058 25.049 1.00 20.44 C ATOM 786 C TYR H 79 13.603 11.195 24.558 1.00 20.37 C ATOM 787 O TYR H 79 13.347 11.805 23.512 1.00 21.04 O ATOM 788 CB TYR H 79 15.276 12.153 26.080 1.00 21.42 C ATOM 789 CG TYR H 79 16.690 12.230 26.592 1.00 21.88 C ATOM 790 CD1 TYR H 79 17.114 11.409 27.629 1.00 22.85 C ATOM 791 CD2 TYR H 79 17.598 13.138 26.043 1.00 22.35 C ATOM 792 CE1 TYR H 79 18.413 11.471 28.108 1.00 23.37 C ATOM 793 CE2 TYR H 79 18.908 13.227 26.524 1.00 23.58 C ATOM 794 CZ TYR H 79 19.318 12.386 27.543 1.00 24.61 C ATOM 795 OH TYR H 79 20.615 12.481 28.019 1.00 25.90 O ATOM 796 HH TYR H 79 20.750 11.817 28.741 1.00 0.00 H ATOM 797 H TYR H 79 15.833 11.965 23.265 1.00 0.00 H ATOM 798 N LEU H 80 12.672 10.639 25.326 1.00 20.08 N ATOM 799 CA LEU H 80 11.251 10.778 25.038 1.00 19.70 C ATOM 800 C LEU H 80 10.530 11.012 26.346 1.00 20.02 C ATOM 801 O LEU H 80 10.419 10.111 27.176 1.00 19.39 O ATOM 802 CB LEU H 80 10.679 9.538 24.323 1.00 18.92 C ATOM 803 CG LEU H 80 9.248 9.683 23.784 1.00 18.08 C ATOM 804 CD1 LEU H 80 9.193 10.719 22.643 1.00 18.90 C ATOM 805 CD2 LEU H 80 8.769 8.326 23.321 1.00 18.22 C ATOM 806 H LEU H 80 12.967 10.088 26.157 1.00 0.00 H ATOM 807 N GLN H 81 10.063 12.242 26.520 1.00 20.54 N ATOM 808 CA GLN H 81 9.221 12.627 27.648 1.00 22.75 C ATOM 809 C GLN H 81 7.790 12.360 27.242 1.00 22.98 C ATOM 810 O GLN H 81 7.297 12.900 26.268 1.00 24.28 O ATOM 811 CB GLN H 81 9.427 14.114 27.991 1.00 23.52 C ATOM 812 CG GLN H 81 8.578 14.673 29.134 1.00 24.73 C ATOM 813 CD GLN H 81 8.848 13.997 30.448 1.00 24.44 C ATOM 814 OE1 GLN H 81 9.988 13.903 30.880 1.00 24.87 O ATOM 815 NE2 GLN H 81 7.792 13.536 31.103 1.00 26.70 N ATOM 816 HE22 GLN H 81 6.841 13.639 30.695 1.00 0.00 H ATOM 817 HE21 GLN H 81 7.914 13.071 32.025 1.00 0.00 H ATOM 818 H GLN H 81 10.309 12.968 25.817 1.00 0.00 H ATOM 819 N MET H 82 7.143 11.511 28.028 1.00 23.63 N ATOM 820 CA MET H 82 5.790 11.096 27.811 1.00 24.49 C ATOM 821 C MET H 82 4.964 11.631 28.968 1.00 24.31 C ATOM 822 O MET H 82 5.036 11.117 30.090 1.00 26.05 O ATOM 823 CB MET H 82 5.731 9.576 27.761 1.00 26.18 C ATOM 824 CG MET H 82 6.538 8.999 26.605 1.00 27.46 C ATOM 825 SD MET H 82 6.540 7.206 26.572 1.00 31.83 S ATOM 826 CE MET H 82 7.368 6.863 28.056 1.00 30.88 C ATOM 827 H MET H 82 7.648 11.124 28.851 1.00 0.00 H ATOM 828 N ASN H 82A 3.818 12.543 28.515 1.00 27.14 N ATOM 829 CA ASN H 82A 2.869 13.034 29.497 1.00 27.75 C ATOM 830 C ASN H 82A 1.493 12.528 29.166 1.00 28.29 C ATOM 831 O ASN H 82A 1.218 12.029 28.068 1.00 27.08 O ATOM 832 CB ASN H 82A 2.874 14.547 29.516 1.00 28.52 C ATOM 833 CG ASN H 82A 4.213 15.127 29.930 1.00 29.28 C ATOM 834 OD1 ASN H 82A 4.944 14.561 30.724 1.00 30.39 O ATOM 835 ND2 ASN H 82A 4.525 16.285 29.396 1.00 32.62 N ATOM 836 HD22 ASN H 82A 3.876 16.738 28.722 1.00 0.00 H ATOM 837 HD21 ASN H 82A 5.421 16.749 29.647 1.00 0.00 H ATOM 838 H ASN H 82A 3.722 12.807 27.514 1.00 0.00 H ATOM 839 N ASN H 82B 0.381 12.533 30.371 1.00 33.36 N ATOM 840 CA ASN H 82B -0.959 12.102 30.021 1.00 35.04 C ATOM 841 C ASN H 82B -0.887 10.806 29.233 1.00 30.76 C ATOM 842 O ASN H 82B -1.718 10.525 28.398 1.00 29.98 O ATOM 843 CB ASN H 82B -1.687 13.171 29.213 1.00 38.10 C ATOM 844 CG ASN H 82B -1.921 14.437 30.005 1.00 44.86 C ATOM 845 OD1 ASN H 82B -2.569 14.412 31.061 1.00 47.74 O ATOM 846 ND2 ASN H 82B -1.402 15.562 29.499 1.00 47.48 N ATOM 847 HD22 ASN H 82B -0.865 15.533 28.609 1.00 0.00 H ATOM 848 HD21 ASN H 82B -1.535 16.466 29.996 1.00 0.00 H ATOM 849 H ASN H 82B 0.624 12.830 31.337 1.00 0.00 H ATOM 850 N LEU H 82C -0.117 9.687 29.981 1.00 28.03 N ATOM 851 CA LEU H 82C -0.108 8.349 29.431 1.00 28.49 C ATOM 852 C LEU H 82C -1.522 7.780 29.330 1.00 28.49 C ATOM 853 O LEU H 82C -2.370 8.033 30.184 1.00 30.07 O ATOM 854 CB LEU H 82C 0.788 7.464 30.288 1.00 29.05 C ATOM 855 CG LEU H 82C 2.253 7.808 30.001 1.00 29.99 C ATOM 856 CD1 LEU H 82C 3.105 7.291 31.143 1.00 33.07 C ATOM 857 CD2 LEU H 82C 2.693 7.256 28.647 1.00 29.09 C ATOM 858 H LEU H 82C 0.387 9.896 30.867 1.00 0.00 H ATOM 859 N ARG H 83 -1.761 7.047 28.256 1.00 28.03 N ATOM 860 CA ARG H 83 -3.031 6.381 27.996 1.00 30.34 C ATOM 861 C ARG H 83 -2.738 4.898 27.864 1.00 28.01 C ATOM 862 O ARG H 83 -1.623 4.516 27.509 1.00 26.05 O ATOM 863 CB ARG H 83 -3.624 6.876 26.672 1.00 32.94 C ATOM 864 CG ARG H 83 -3.960 8.359 26.593 1.00 37.54 C ATOM 865 CD ARG H 83 -4.153 8.783 25.129 1.00 40.24 C ATOM 866 NE ARG H 83 -4.767 10.105 24.972 1.00 42.58 N ATOM 867 CZ ARG H 83 -4.973 10.723 23.804 1.00 45.19 C ATOM 868 NH1 ARG H 83 -4.593 10.169 22.654 1.00 44.39 N ATOM 869 NH2 ARG H 83 -5.553 11.918 23.780 1.00 47.40 N ATOM 870 HE ARG H 83 -5.066 10.601 25.836 1.00 0.00 H ATOM 871 HH12 ARG H 83 -4.762 10.666 21.756 1.00 0.00 H ATOM 872 HH11 ARG H 83 -4.127 9.239 22.654 1.00 0.00 H ATOM 873 HH22 ARG H 83 -5.714 12.400 22.872 1.00 0.00 H ATOM 874 HH21 ARG H 83 -5.846 12.372 24.669 1.00 0.00 H ATOM 875 H ARG H 83 -0.999 6.939 27.556 1.00 0.00 H ATOM 876 N ALA H 84 -3.732 4.058 28.119 1.00 27.11 N ATOM 877 CA ALA H 84 -3.576 2.618 27.931 1.00 26.71 C ATOM 878 C ALA H 84 -2.965 2.310 26.538 1.00 26.87 C ATOM 879 O ALA H 84 -2.085 1.445 26.409 1.00 26.81 O ATOM 880 CB ALA H 84 -4.926 1.914 28.099 1.00 27.87 C ATOM 881 H ALA H 84 -4.641 4.432 28.460 1.00 0.00 H ATOM 882 N GLU H 85 -3.400 3.042 25.515 1.00 25.52 N ATOM 883 CA GLU H 85 -2.935 2.809 24.137 1.00 26.72 C ATOM 884 C GLU H 85 -1.459 3.153 23.883 1.00 24.88 C ATOM 885 O GLU H 85 -0.939 2.863 22.804 1.00 23.70 O ATOM 886 CB GLU H 85 -3.817 3.549 23.141 1.00 28.68 C ATOM 887 CG GLU H 85 -3.669 5.061 23.110 1.00 31.87 C ATOM 888 CD GLU H 85 -4.482 5.703 21.983 1.00 37.78 C ATOM 889 OE1 GLU H 85 -4.347 5.269 20.808 1.00 42.03 O ATOM 890 OE2 GLU H 85 -5.262 6.641 22.264 1.00 39.28 O ATOM 891 H GLU H 85 -4.088 3.801 25.694 1.00 0.00 H ATOM 892 N ASP H 86 -0.804 3.770 24.872 1.00 22.93 N ATOM 893 CA ASP H 86 0.631 4.025 24.799 1.00 22.81 C ATOM 894 C ASP H 86 1.451 2.811 25.207 1.00 21.96 C ATOM 895 O ASP H 86 2.679 2.824 25.105 1.00 21.73 O ATOM 896 CB ASP H 86 0.988 5.193 25.698 1.00 24.04 C ATOM 897 CG ASP H 86 0.400 6.503 25.224 1.00 24.41 C ATOM 898 OD1 ASP H 86 0.369 6.771 24.002 1.00 23.16 O ATOM 899 OD2 ASP H 86 -0.002 7.311 26.105 1.00 26.40 O ATOM 900 H ASP H 86 -1.331 4.076 25.715 1.00 0.00 H ATOM 901 N THR H 87 0.787 1.779 25.718 1.00 21.94 N ATOM 902 CA THR H 87 1.475 0.552 26.088 1.00 20.81 C ATOM 903 C THR H 87 2.247 -0.027 24.886 1.00 22.18 C ATOM 904 O THR H 87 1.715 -0.133 23.775 1.00 22.48 O ATOM 905 CB THR H 87 0.474 -0.462 26.663 1.00 20.87 C ATOM 906 OG1 THR H 87 -0.057 0.036 27.905 1.00 19.68 O ATOM 907 CG2 THR H 87 1.116 -1.823 26.861 1.00 20.90 C ATOM 908 HG1 THR H 87 -0.516 0.898 27.744 1.00 0.00 H ATOM 909 H THR H 87 -0.241 1.850 25.856 1.00 0.00 H ATOM 910 N GLY H 88 3.516 -0.367 25.093 1.00 21.75 N ATOM 911 CA GLY H 88 4.289 -1.048 24.054 1.00 21.32 C ATOM 912 C GLY H 88 5.750 -1.078 24.387 1.00 20.99 C ATOM 913 O GLY H 88 6.159 -0.545 25.427 1.00 21.22 O ATOM 914 H GLY H 88 3.965 -0.146 26.005 1.00 0.00 H ATOM 915 N ILE H 89 6.527 -1.702 23.506 1.00 19.55 N ATOM 916 CA ILE H 89 7.973 -1.626 23.557 1.00 19.36 C ATOM 917 C ILE H 89 8.477 -0.439 22.736 1.00 19.08 C ATOM 918 O ILE H 89 8.148 -0.297 21.546 1.00 17.98 O ATOM 919 CB ILE H 89 8.649 -2.911 23.037 1.00 20.01 C ATOM 920 CG1 ILE H 89 8.145 -4.130 23.816 1.00 21.76 C ATOM 921 CG2 ILE H 89 10.166 -2.768 23.163 1.00 21.06 C ATOM 922 CD1 ILE H 89 8.400 -5.449 23.139 1.00 23.17 C ATOM 923 H ILE H 89 6.081 -2.265 22.754 1.00 0.00 H ATOM 924 N TYR H 90 9.245 0.429 23.399 1.00 18.81 N ATOM 925 CA TYR H 90 9.771 1.633 22.790 1.00 18.29 C ATOM 926 C TYR H 90 11.241 1.478 22.377 1.00 18.61 C ATOM 927 O TYR H 90 12.117 1.100 23.194 1.00 19.01 O ATOM 928 CB TYR H 90 9.589 2.817 23.747 1.00 17.38 C ATOM 929 CG TYR H 90 8.144 3.315 23.810 1.00 17.18 C ATOM 930 CD1 TYR H 90 7.169 2.570 24.440 1.00 17.12 C ATOM 931 CD2 TYR H 90 7.778 4.535 23.258 1.00 17.34 C ATOM 932 CE1 TYR H 90 5.851 2.998 24.498 1.00 18.04 C ATOM 933 CE2 TYR H 90 6.468 4.980 23.299 1.00 16.96 C ATOM 934 CZ TYR H 90 5.516 4.220 23.927 1.00 17.50 C ATOM 935 OH TYR H 90 4.227 4.643 23.975 1.00 19.31 O ATOM 936 HH TYR H 90 3.680 3.977 24.462 1.00 0.00 H ATOM 937 H TYR H 90 9.475 0.232 24.394 1.00 0.00 H ATOM 938 N TYR H 91 11.483 1.742 21.099 1.00 17.82 N ATOM 939 CA TYR H 91 12.801 1.646 20.491 1.00 18.37 C ATOM 940 C TYR H 91 13.267 2.998 19.974 1.00 18.30 C ATOM 941 O TYR H 91 12.472 3.746 19.372 1.00 19.19 O ATOM 942 CB TYR H 91 12.797 0.675 19.285 1.00 18.91 C ATOM 943 CG TYR H 91 12.225 -0.700 19.562 1.00 19.41 C ATOM 944 CD1 TYR H 91 10.874 -0.931 19.423 1.00 19.93 C ATOM 945 CD2 TYR H 91 13.035 -1.750 20.009 1.00 19.72 C ATOM 946 CE1 TYR H 91 10.337 -2.187 19.652 1.00 21.09 C ATOM 947 CE2 TYR H 91 12.509 -3.001 20.289 1.00 20.69 C ATOM 948 CZ TYR H 91 11.162 -3.216 20.101 1.00 20.56 C ATOM 949 OH TYR H 91 10.566 -4.444 20.348 1.00 22.87 O ATOM 950 HH TYR H 91 9.598 -4.385 20.151 1.00 0.00 H ATOM 951 H TYR H 91 10.686 2.034 20.499 1.00 0.00 H ATOM 952 N CYS H 92 14.547 3.291 20.168 1.00 19.12 N ATOM 953 CA CYS H 92 15.226 4.394 19.451 1.00 20.71 C ATOM 954 C CYS H 92 15.898 3.757 18.226 1.00 20.21 C ATOM 955 O CYS H 92 16.448 2.626 18.286 1.00 19.78 O ATOM 956 CB CYS H 92 16.243 5.174 20.323 1.00 23.65 C ATOM 957 SG CYS H 92 17.487 4.058 21.005 1.00 29.30 S ATOM 958 H CYS H 92 15.093 2.725 20.849 1.00 0.00 H ATOM 959 N THR H 93 15.780 4.467 17.102 1.00 19.27 N ATOM 960 CA THR H 93 16.229 3.965 15.815 1.00 19.38 C ATOM 961 C THR H 93 16.583 5.110 14.879 1.00 19.18 C ATOM 962 O THR H 93 15.948 6.182 14.899 1.00 17.85 O ATOM 963 CB THR H 93 15.198 2.984 15.204 1.00 18.45 C ATOM 964 OG1 THR H 93 15.606 2.565 13.883 1.00 18.29 O ATOM 965 CG2 THR H 93 13.761 3.604 15.146 1.00 18.40 C ATOM 966 HG1 THR H 93 16.484 2.111 13.939 1.00 0.00 H ATOM 967 H THR H 93 15.351 5.413 17.149 1.00 0.00 H ATOM 968 N GLY H 94 17.607 4.881 14.068 1.00 18.73 N ATOM 969 CA GLY H 94 17.941 5.809 12.978 1.00 19.01 C ATOM 970 C GLY H 94 18.995 5.269 12.069 1.00 19.99 C ATOM 971 O GLY H 94 19.377 4.112 12.210 1.00 21.50 O ATOM 972 H GLY H 94 18.185 4.028 14.206 1.00 0.00 H ATOM 973 N VAL H 95 19.450 6.139 11.168 1.00 20.14 N ATOM 974 CA VAL H 95 20.502 5.904 10.177 1.00 20.47 C ATOM 975 C VAL H 95 19.975 5.171 8.940 1.00 21.37 C ATOM 976 O VAL H 95 19.660 3.976 8.985 1.00 21.53 O ATOM 977 CB VAL H 95 21.746 5.182 10.764 1.00 20.52 C ATOM 978 CG1 VAL H 95 22.816 5.022 9.686 1.00 22.02 C ATOM 979 CG2 VAL H 95 22.298 5.929 11.968 1.00 20.65 C ATOM 980 H VAL H 95 19.013 7.083 11.169 1.00 0.00 H ATOM 981 N GLY H 96 19.864 5.922 7.852 1.00 21.75 N ATOM 982 CA GLY H 96 19.621 5.381 6.513 1.00 22.40 C ATOM 983 C GLY H 96 18.499 4.406 6.238 1.00 21.86 C ATOM 984 O GLY H 96 18.703 3.478 5.460 1.00 23.23 O ATOM 985 H GLY H 96 19.955 6.953 7.956 1.00 0.00 H ATOM 986 N GLN H 97 17.286 4.565 6.782 1.00 20.29 N ATOM 987 CA GLN H 97 16.829 5.535 7.780 1.00 19.02 C ATOM 988 C GLN H 97 16.510 4.816 9.113 1.00 18.82 C ATOM 989 O GLN H 97 16.326 5.469 10.145 1.00 18.99 O ATOM 990 CB GLN H 97 15.535 6.220 7.274 1.00 18.91 C ATOM 991 CG GLN H 97 15.778 7.298 6.199 1.00 19.46 C ATOM 992 CD GLN H 97 16.266 6.740 4.855 1.00 19.34 C ATOM 993 OE1 GLN H 97 15.655 5.867 4.282 1.00 19.16 O ATOM 994 NE2 GLN H 97 17.374 7.256 4.361 1.00 20.46 N ATOM 995 HE22 GLN H 97 17.875 8.006 4.880 1.00 0.00 H ATOM 996 HE21 GLN H 97 17.747 6.913 3.453 1.00 0.00 H ATOM 997 H GLN H 97 16.560 3.901 6.446 1.00 0.00 H ATOM 998 N PHE H 98 16.409 3.489 9.096 1.00 19.23 N ATOM 999 CA PHE H 98 16.114 2.706 10.319 1.00 19.13 C ATOM 1000 C PHE H 98 17.116 1.551 10.471 1.00 19.48 C ATOM 1001 O PHE H 98 16.760 0.395 10.781 1.00 20.42 O ATOM 1002 CB PHE H 98 14.696 2.177 10.303 1.00 19.14 C ATOM 1003 CG PHE H 98 13.664 3.261 10.322 1.00 18.85 C ATOM 1004 CD1 PHE H 98 13.359 3.912 11.501 1.00 18.34 C ATOM 1005 CD2 PHE H 98 13.065 3.678 9.149 1.00 19.75 C ATOM 1006 CE1 PHE H 98 12.416 4.950 11.534 1.00 18.49 C ATOM 1007 CE2 PHE H 98 12.125 4.705 9.158 1.00 20.44 C ATOM 1008 CZ PHE H 98 11.804 5.335 10.358 1.00 18.05 C ATOM 1009 H PHE H 98 16.541 2.986 8.196 1.00 0.00 H ATOM 1010 N ALA H 101 18.476 1.742 10.087 1.00 19.02 N ATOM 1011 CA ALA H 101 19.496 0.703 10.132 1.00 19.66 C ATOM 1012 C ALA H 101 19.610 0.132 11.549 1.00 21.05 C ATOM 1013 O ALA H 101 19.601 -1.077 11.753 1.00 20.27 O ATOM 1014 CB ALA H 101 20.816 1.248 9.651 1.00 20.58 C ATOM 1015 H ALA H 101 18.758 2.685 9.753 1.00 0.00 H ATOM 1016 N TYR H 102 19.650 1.017 12.534 1.00 21.54 N ATOM 1017 CA TYR H 102 19.993 0.622 13.895 1.00 22.06 C ATOM 1018 C TYR H 102 18.827 0.806 14.844 1.00 21.00 C ATOM 1019 O TYR H 102 18.159 1.837 14.813 1.00 20.76 O ATOM 1020 CB TYR H 102 21.179 1.443 14.398 1.00 24.28 C ATOM 1021 CG TYR H 102 22.377 1.380 13.477 1.00 27.31 C ATOM 1022 CD1 TYR H 102 22.871 0.146 13.010 1.00 29.18 C ATOM 1023 CD2 TYR H 102 23.005 2.546 13.047 1.00 31.45 C ATOM 1024 CE1 TYR H 102 23.968 0.088 12.159 1.00 32.34 C ATOM 1025 CE2 TYR H 102 24.108 2.492 12.194 1.00 33.99 C ATOM 1026 CZ TYR H 102 24.578 1.265 11.761 1.00 34.24 C ATOM 1027 OH TYR H 102 25.660 1.217 10.911 1.00 37.65 O ATOM 1028 HH TYR H 102 25.869 0.273 10.698 1.00 0.00 H ATOM 1029 H TYR H 102 19.432 2.014 12.332 1.00 0.00 H ATOM 1030 N TRP H 103 18.619 -0.216 15.673 1.00 20.13 N ATOM 1031 CA TRP H 103 17.609 -0.271 16.692 1.00 20.71 C ATOM 1032 C TRP H 103 18.223 -0.720 18.022 1.00 19.94 C ATOM 1033 O TRP H 103 19.079 -1.623 18.064 1.00 20.81 O ATOM 1034 CB TRP H 103 16.544 -1.301 16.323 1.00 19.76 C ATOM 1035 CG TRP H 103 15.798 -0.938 15.086 1.00 19.34 C ATOM 1036 CD1 TRP H 103 16.288 -0.866 13.828 1.00 19.73 C ATOM 1037 CD2 TRP H 103 14.404 -0.608 14.990 1.00 18.83 C ATOM 1038 NE1 TRP H 103 15.289 -0.515 12.941 1.00 18.52 N ATOM 1039 CE2 TRP H 103 14.132 -0.334 13.632 1.00 18.61 C ATOM 1040 CE3 TRP H 103 13.361 -0.523 15.918 1.00 18.51 C ATOM 1041 CZ2 TRP H 103 12.856 0.037 13.182 1.00 18.61 C ATOM 1042 CZ3 TRP H 103 12.088 -0.178 15.473 1.00 18.16 C ATOM 1043 CH2 TRP H 103 11.850 0.113 14.131 1.00 18.88 C ATOM 1044 HE1 TRP H 103 15.403 -0.407 11.913 1.00 0.00 H ATOM 1045 H TRP H 103 19.241 -1.044 15.574 1.00 0.00 H ATOM 1046 N GLY H 104 17.735 -0.148 19.107 1.00 19.92 N ATOM 1047 CA GLY H 104 18.023 -0.680 20.414 1.00 20.81 C ATOM 1048 C GLY H 104 17.204 -1.911 20.712 1.00 21.35 C ATOM 1049 O GLY H 104 16.317 -2.307 19.936 1.00 21.43 O ATOM 1050 H GLY H 104 17.135 0.697 19.017 1.00 0.00 H ATOM 1051 N GLN H 105 17.475 -2.503 21.859 1.00 22.32 N ATOM 1052 CA GLN H 105 16.746 -3.687 22.333 1.00 23.84 C ATOM 1053 C GLN H 105 15.314 -3.371 22.802 1.00 22.26 C ATOM 1054 O GLN H 105 14.475 -4.275 22.945 1.00 22.72 O ATOM 1055 CB GLN H 105 17.549 -4.371 23.456 1.00 26.94 C ATOM 1056 CG GLN H 105 17.330 -3.814 24.875 1.00 28.91 C ATOM 1057 CD GLN H 105 17.893 -2.417 25.120 1.00 28.76 C ATOM 1058 OE1 GLN H 105 18.879 -2.002 24.483 1.00 30.06 O ATOM 1059 NE2 GLN H 105 17.301 -1.700 26.095 1.00 28.87 N ATOM 1060 HE22 GLN H 105 16.479 -2.088 26.600 1.00 0.00 H ATOM 1061 HE21 GLN H 105 17.666 -0.758 26.343 1.00 0.00 H ATOM 1062 H GLN H 105 18.236 -2.116 22.452 1.00 0.00 H ATOM 1063 N GLY H 106 15.055 -2.096 23.089 1.00 21.03 N ATOM 1064 CA GLY H 106 13.727 -1.644 23.479 1.00 20.59 C ATOM 1065 C GLY H 106 13.571 -1.571 24.984 1.00 20.63 C ATOM 1066 O GLY H 106 14.261 -2.317 25.730 1.00 19.69 O ATOM 1067 H GLY H 106 15.827 -1.401 23.033 1.00 0.00 H ATOM 1068 N THR H 107 12.683 -0.675 25.408 1.00 18.73 N ATOM 1069 CA THR H 107 12.235 -0.565 26.806 1.00 19.61 C ATOM 1070 C THR H 107 10.707 -0.657 26.835 1.00 19.54 C ATOM 1071 O THR H 107 10.013 0.022 26.080 1.00 18.70 O ATOM 1072 CB THR H 107 12.795 0.711 27.517 1.00 20.23 C ATOM 1073 OG1 THR H 107 12.515 0.651 28.931 1.00 20.78 O ATOM 1074 CG2 THR H 107 12.288 2.002 26.924 1.00 19.54 C ATOM 1075 HG1 THR H 107 12.945 -0.153 29.317 1.00 0.00 H ATOM 1076 H THR H 107 12.282 -0.014 24.712 1.00 0.00 H ATOM 1077 N THR H 108 10.206 -1.529 27.695 1.00 20.68 N ATOM 1078 CA THR H 108 8.782 -1.799 27.796 1.00 22.40 C ATOM 1079 C THR H 108 8.052 -0.757 28.672 1.00 23.20 C ATOM 1080 O THR H 108 8.461 -0.457 29.791 1.00 22.56 O ATOM 1081 CB THR H 108 8.562 -3.202 28.369 1.00 24.36 C ATOM 1082 OG1 THR H 108 9.170 -4.158 27.479 1.00 25.41 O ATOM 1083 CG2 THR H 108 7.062 -3.509 28.479 1.00 26.80 C ATOM 1084 HG1 THR H 108 10.139 -3.970 27.406 1.00 0.00 H ATOM 1085 H THR H 108 10.857 -2.041 28.323 1.00 0.00 H ATOM 1086 N VAL H 109 6.975 -0.210 28.127 1.00 22.28 N ATOM 1087 CA VAL H 109 6.084 0.720 28.851 1.00 21.94 C ATOM 1088 C VAL H 109 4.713 0.049 28.922 1.00 22.92 C ATOM 1089 O VAL H 109 4.103 -0.240 27.891 1.00 22.45 O ATOM 1090 CB VAL H 109 5.978 2.066 28.113 1.00 21.97 C ATOM 1091 CG1 VAL H 109 4.965 2.974 28.743 1.00 22.42 C ATOM 1092 CG2 VAL H 109 7.339 2.750 28.058 1.00 22.28 C ATOM 1093 H VAL H 109 6.746 -0.447 27.141 1.00 0.00 H ATOM 1094 N THR H 110 4.240 -0.210 30.141 1.00 22.87 N ATOM 1095 CA THR H 110 2.936 -0.815 30.343 1.00 24.34 C ATOM 1096 C THR H 110 2.102 0.192 31.122 1.00 26.34 C ATOM 1097 O THR H 110 2.433 0.528 32.276 1.00 25.03 O ATOM 1098 CB THR H 110 3.045 -2.125 31.140 1.00 25.64 C ATOM 1099 OG1 THR H 110 3.875 -3.053 30.426 1.00 25.23 O ATOM 1100 CG2 THR H 110 1.672 -2.728 31.368 1.00 26.92 C ATOM 1101 HG1 THR H 110 4.777 -2.663 30.307 1.00 0.00 H ATOM 1102 H THR H 110 4.821 0.028 30.970 1.00 0.00 H ATOM 1103 N VAL H 111 1.026 0.660 30.495 1.00 25.85 N ATOM 1104 CA VAL H 111 0.123 1.625 31.101 1.00 28.19 C ATOM 1105 C VAL H 111 -1.163 0.905 31.458 1.00 31.31 C ATOM 1106 O VAL H 111 -1.895 0.473 30.569 1.00 31.86 O ATOM 1107 CB VAL H 111 -0.193 2.798 30.145 1.00 27.50 C ATOM 1108 CG1 VAL H 111 -1.026 3.854 30.857 1.00 28.68 C ATOM 1109 CG2 VAL H 111 1.087 3.414 29.625 1.00 26.35 C ATOM 1110 H VAL H 111 0.823 0.322 29.533 1.00 0.00 H ATOM 1111 N SER H 112 -1.435 0.754 32.749 1.00 35.08 N ATOM 1112 CA SER H 112 -2.652 0.046 33.160 1.00 40.86 C ATOM 1113 C SER H 112 -3.148 0.492 34.531 1.00 41.58 C ATOM 1114 O SER H 112 -2.341 0.801 35.415 1.00 42.76 O ATOM 1115 CB SER H 112 -2.393 -1.468 33.130 1.00 44.65 C ATOM 1116 OG SER H 112 -3.506 -2.199 33.615 1.00 48.68 O ATOM 1117 HG SER H 112 -3.303 -3.167 33.581 1.00 0.00 H ATOM 1118 H SER H 112 -0.787 1.137 33.467 1.00 0.00 H TER 1119 SER H 112 ATOM 1120 N ILE H1003 -3.550 7.392 6.406 1.00 32.02 N ATOM 1121 CA ILE H1003 -2.713 6.594 5.437 1.00 32.68 C ATOM 1122 C ILE H1003 -2.509 5.193 5.974 1.00 29.88 C ATOM 1123 O ILE H1003 -2.148 5.007 7.146 1.00 29.80 O ATOM 1124 CB ILE H1003 -1.312 7.222 5.165 1.00 33.90 C ATOM 1125 CG1 ILE H1003 -1.450 8.616 4.547 1.00 36.10 C ATOM 1126 CG2 ILE H1003 -0.470 6.310 4.249 1.00 34.55 C ATOM 1127 CD1 ILE H1003 -0.195 9.465 4.613 1.00 37.86 C ATOM 1128 HN3 ILE H1003 -3.063 7.441 7.324 1.00 0.00 H ATOM 1129 HN2 ILE H1003 -4.474 6.930 6.526 1.00 0.00 H ATOM 1130 HN1 ILE H1003 -3.688 8.353 6.033 1.00 0.00 H ATOM 1131 N VAL H1004 -2.727 4.218 5.096 1.00 29.61 N ATOM 1132 CA VAL H1004 -2.556 2.815 5.400 1.00 28.51 C ATOM 1133 C VAL H1004 -1.504 2.236 4.465 1.00 27.26 C ATOM 1134 O VAL H1004 -1.551 2.427 3.239 1.00 26.08 O ATOM 1135 CB VAL H1004 -3.886 2.050 5.237 1.00 31.30 C ATOM 1136 CG1 VAL H1004 -3.680 0.555 5.432 1.00 31.40 C ATOM 1137 CG2 VAL H1004 -4.919 2.579 6.237 1.00 31.61 C ATOM 1138 H VAL H1004 -3.037 4.479 4.138 1.00 0.00 H ATOM 1139 N VAL H1005 -0.542 1.542 5.066 1.00 23.83 N ATOM 1140 CA VAL H1005 0.509 0.866 4.325 1.00 22.76 C ATOM 1141 C VAL H1005 0.258 -0.622 4.486 1.00 21.58 C ATOM 1142 O VAL H1005 0.155 -1.112 5.610 1.00 21.27 O ATOM 1143 CB VAL H1005 1.891 1.233 4.864 1.00 21.93 C ATOM 1144 CG1 VAL H1005 2.976 0.416 4.161 1.00 21.73 C ATOM 1145 CG2 VAL H1005 2.117 2.720 4.688 1.00 22.95 C ATOM 1146 H VAL H1005 -0.542 1.481 6.104 1.00 0.00 H ATOM 1147 N THR H1006 0.121 -1.325 3.366 1.00 21.04 N ATOM 1148 CA THR H1006 -0.312 -2.710 3.393 1.00 20.28 C ATOM 1149 C THR H1006 0.795 -3.633 2.911 1.00 19.06 C ATOM 1150 O THR H1006 1.357 -3.436 1.832 1.00 18.78 O ATOM 1151 CB THR H1006 -1.567 -2.936 2.530 1.00 21.40 C ATOM 1152 OG1 THR H1006 -2.617 -2.084 2.999 1.00 23.77 O ATOM 1153 CG2 THR H1006 -2.028 -4.367 2.640 1.00 23.48 C ATOM 1154 HG1 THR H1006 -2.330 -1.139 2.929 1.00 0.00 H ATOM 1155 H THR H1006 0.328 -0.874 2.452 1.00 0.00 H ATOM 1156 N GLN H1007 1.057 -4.651 3.722 1.00 17.99 N ATOM 1157 CA GLN H1007 1.958 -5.755 3.393 1.00 17.83 C ATOM 1158 C GLN H1007 1.221 -7.107 3.439 1.00 18.39 C ATOM 1159 O GLN H1007 0.167 -7.244 4.097 1.00 18.68 O ATOM 1160 CB GLN H1007 3.076 -5.811 4.425 1.00 16.98 C ATOM 1161 CG GLN H1007 3.942 -4.564 4.468 1.00 17.12 C ATOM 1162 CD GLN H1007 5.043 -4.679 5.494 1.00 17.68 C ATOM 1163 OE1 GLN H1007 5.009 -4.037 6.541 1.00 17.42 O ATOM 1164 NE2 GLN H1007 6.011 -5.524 5.215 1.00 16.50 N ATOM 1165 HE22 GLN H1007 6.001 -6.048 4.316 1.00 0.00 H ATOM 1166 HE21 GLN H1007 6.786 -5.669 5.893 1.00 0.00 H ATOM 1167 H GLN H1007 0.591 -4.664 4.652 1.00 0.00 H ATOM 1168 N GLU H1008 1.761 -8.092 2.737 1.00 17.06 N ATOM 1169 CA GLU H1008 1.233 -9.450 2.825 1.00 16.78 C ATOM 1170 C GLU H1008 1.224 -9.921 4.292 1.00 16.93 C ATOM 1171 O GLU H1008 2.226 -9.769 4.969 1.00 17.34 O ATOM 1172 CB GLU H1008 2.087 -10.408 2.025 1.00 16.57 C ATOM 1173 CG GLU H1008 2.027 -10.238 0.522 1.00 17.13 C ATOM 1174 CD GLU H1008 3.041 -9.268 -0.048 1.00 17.47 C ATOM 1175 OE1 GLU H1008 3.769 -8.615 0.714 1.00 16.38 O ATOM 1176 OE2 GLU H1008 3.096 -9.146 -1.292 1.00 19.56 O ATOM 1177 H GLU H1008 2.571 -7.895 2.115 1.00 0.00 H ATOM 1178 N SER H1009 0.124 -10.480 4.780 1.00 17.11 N ATOM 1179 CA SER H1009 0.145 -10.983 6.182 1.00 17.81 C ATOM 1180 C SER H1009 1.246 -12.019 6.419 1.00 16.88 C ATOM 1181 O SER H1009 2.009 -11.924 7.387 1.00 18.43 O ATOM 1182 CB SER H1009 -1.203 -11.553 6.629 1.00 18.78 C ATOM 1183 OG SER H1009 -2.202 -10.570 6.596 1.00 21.98 O ATOM 1184 HG SER H1009 -2.294 -10.225 5.673 1.00 0.00 H ATOM 1185 H SER H1009 -0.733 -10.565 4.197 1.00 0.00 H ATOM 1186 N ALA H1010 1.318 -13.004 5.518 1.00 16.70 N ATOM 1187 CA ALA H1010 2.291 -14.084 5.575 1.00 16.39 C ATOM 1188 C ALA H1010 2.725 -14.519 4.202 1.00 16.61 C ATOM 1189 O ALA H1010 1.973 -14.419 3.258 1.00 16.75 O ATOM 1190 CB ALA H1010 1.697 -15.279 6.305 1.00 17.47 C ATOM 1191 H ALA H1010 0.639 -12.998 4.730 1.00 0.00 H ATOM 1192 N LEU H1011 3.982 -14.953 4.084 1.00 16.13 N ATOM 1193 CA LEU H1011 4.437 -15.704 2.923 1.00 16.52 C ATOM 1194 C LEU H1011 5.241 -16.886 3.392 1.00 16.58 C ATOM 1195 O LEU H1011 5.886 -16.825 4.442 1.00 16.63 O ATOM 1196 CB LEU H1011 5.282 -14.828 1.977 1.00 17.07 C ATOM 1197 CG LEU H1011 4.548 -13.671 1.319 1.00 17.69 C ATOM 1198 CD1 LEU H1011 5.510 -12.659 0.678 1.00 18.23 C ATOM 1199 CD2 LEU H1011 3.555 -14.148 0.282 1.00 19.12 C ATOM 1200 H LEU H1011 4.658 -14.748 4.847 1.00 0.00 H ATOM 1201 N THR H1012 5.194 -17.963 2.620 1.00 16.46 N ATOM 1202 CA THR H1012 5.937 -19.164 2.901 1.00 16.97 C ATOM 1203 C THR H1012 6.936 -19.444 1.769 1.00 17.81 C ATOM 1204 O THR H1012 6.566 -19.446 0.597 1.00 18.16 O ATOM 1205 CB THR H1012 4.981 -20.360 3.058 1.00 18.32 C ATOM 1206 OG1 THR H1012 4.024 -20.113 4.093 1.00 17.10 O ATOM 1207 CG2 THR H1012 5.755 -21.588 3.413 1.00 18.61 C ATOM 1208 HG1 THR H1012 3.421 -20.894 4.176 1.00 0.00 H ATOM 1209 H THR H1012 4.592 -17.939 1.772 1.00 0.00 H ATOM 1210 N THR H1013 8.189 -19.704 2.134 1.00 17.82 N ATOM 1211 CA THR H1013 9.218 -20.049 1.166 1.00 17.39 C ATOM 1212 C THR H1013 10.044 -21.234 1.688 1.00 18.59 C ATOM 1213 O THR H1013 9.686 -21.871 2.674 1.00 18.98 O ATOM 1214 CB THR H1013 10.076 -18.818 0.803 1.00 18.08 C ATOM 1215 OG1 THR H1013 10.863 -19.074 -0.379 1.00 17.35 O ATOM 1216 CG2 THR H1013 10.959 -18.389 1.964 1.00 18.47 C ATOM 1217 HG1 THR H1013 10.260 -19.279 -1.137 1.00 0.00 H ATOM 1218 H THR H1013 8.440 -19.659 3.142 1.00 0.00 H ATOM 1219 N SER H1014 11.123 -21.558 0.980 1.00 18.29 N ATOM 1220 CA SER H1014 11.996 -22.642 1.391 1.00 18.83 C ATOM 1221 C SER H1014 13.400 -22.171 1.136 1.00 17.87 C ATOM 1222 O SER H1014 13.604 -21.254 0.333 1.00 18.21 O ATOM 1223 CB SER H1014 11.744 -23.886 0.566 1.00 20.80 C ATOM 1224 OG SER H1014 10.452 -24.372 0.787 1.00 23.92 O ATOM 1225 HG SER H1014 10.344 -24.596 1.745 1.00 0.00 H ATOM 1226 H SER H1014 11.345 -21.024 0.116 1.00 0.00 H ATOM 1227 N PRO H1015 14.384 -22.805 1.784 1.00 18.18 N ATOM 1228 CA PRO H1015 15.758 -22.429 1.485 1.00 17.74 C ATOM 1229 C PRO H1015 16.120 -22.538 0.018 1.00 17.48 C ATOM 1230 O PRO H1015 15.825 -23.549 -0.645 1.00 18.10 O ATOM 1231 CB PRO H1015 16.586 -23.386 2.337 1.00 18.75 C ATOM 1232 CG PRO H1015 15.688 -23.708 3.462 1.00 19.32 C ATOM 1233 CD PRO H1015 14.325 -23.827 2.842 1.00 19.06 C ATOM 1234 N GLY H1016 16.749 -21.484 -0.482 1.00 17.31 N ATOM 1235 CA GLY H1016 17.208 -21.414 -1.841 1.00 17.11 C ATOM 1236 C GLY H1016 16.241 -20.818 -2.833 1.00 16.87 C ATOM 1237 O GLY H1016 16.588 -20.610 -3.995 1.00 16.50 O ATOM 1238 H GLY H1016 16.918 -20.668 0.140 1.00 0.00 H ATOM 1239 N GLU H1017 15.014 -20.545 -2.412 1.00 16.93 N ATOM 1240 CA GLU H1017 14.049 -19.891 -3.274 1.00 17.02 C ATOM 1241 C GLU H1017 14.230 -18.402 -3.316 1.00 17.28 C ATOM 1242 O GLU H1017 14.936 -17.820 -2.514 1.00 15.49 O ATOM 1243 CB GLU H1017 12.621 -20.195 -2.784 1.00 18.37 C ATOM 1244 CG GLU H1017 12.276 -21.657 -2.808 1.00 20.23 C ATOM 1245 CD GLU H1017 12.224 -22.215 -4.217 1.00 23.12 C ATOM 1246 OE1 GLU H1017 11.487 -21.728 -5.090 1.00 25.33 O ATOM 1247 OE2 GLU H1017 12.962 -23.156 -4.492 1.00 25.33 O ATOM 1248 H GLU H1017 14.738 -20.805 -1.444 1.00 0.00 H ATOM 1249 N THR H1018 13.540 -17.782 -4.254 1.00 18.57 N ATOM 1250 CA THR H1018 13.523 -16.333 -4.354 1.00 18.21 C ATOM 1251 C THR H1018 12.129 -15.889 -3.940 1.00 19.00 C ATOM 1252 O THR H1018 11.130 -16.364 -4.496 1.00 20.94 O ATOM 1253 CB THR H1018 13.901 -15.893 -5.782 1.00 18.21 C ATOM 1254 OG1 THR H1018 15.270 -16.263 -6.049 1.00 19.20 O ATOM 1255 CG2 THR H1018 13.788 -14.427 -5.925 1.00 18.91 C ATOM 1256 HG1 THR H1018 15.514 -15.981 -6.966 1.00 0.00 H ATOM 1257 H THR H1018 12.995 -18.344 -4.938 1.00 0.00 H ATOM 1258 N VAL H1019 12.059 -15.009 -2.949 1.00 16.87 N ATOM 1259 CA VAL H1019 10.791 -14.554 -2.426 1.00 17.74 C ATOM 1260 C VAL H1019 10.779 -13.044 -2.422 1.00 17.23 C ATOM 1261 O VAL H1019 11.771 -12.406 -2.073 1.00 16.88 O ATOM 1262 CB VAL H1019 10.489 -15.151 -1.028 1.00 17.87 C ATOM 1263 CG1 VAL H1019 11.483 -14.686 0.027 1.00 17.76 C ATOM 1264 CG2 VAL H1019 9.077 -14.808 -0.569 1.00 18.58 C ATOM 1265 H VAL H1019 12.939 -14.637 -2.538 1.00 0.00 H ATOM 1266 N THR H1020 9.645 -12.476 -2.813 1.00 16.42 N ATOM 1267 CA THR H1020 9.494 -11.027 -2.848 1.00 16.67 C ATOM 1268 C THR H1020 8.308 -10.591 -1.990 1.00 16.84 C ATOM 1269 O THR H1020 7.185 -11.044 -2.165 1.00 16.56 O ATOM 1270 CB THR H1020 9.369 -10.502 -4.280 1.00 17.46 C ATOM 1271 OG1 THR H1020 10.591 -10.787 -4.972 1.00 17.96 O ATOM 1272 CG2 THR H1020 9.100 -9.021 -4.347 1.00 17.93 C ATOM 1273 HG1 THR H1020 11.343 -10.339 -4.510 1.00 0.00 H ATOM 1274 H THR H1020 8.847 -13.078 -3.101 1.00 0.00 H ATOM 1275 N LEU H1021 8.578 -9.681 -1.063 1.00 16.00 N ATOM 1276 CA LEU H1021 7.563 -9.100 -0.192 1.00 16.04 C ATOM 1277 C LEU H1021 7.229 -7.731 -0.717 1.00 16.09 C ATOM 1278 O LEU H1021 8.131 -7.049 -1.252 1.00 15.52 O ATOM 1279 CB LEU H1021 8.137 -8.940 1.226 1.00 16.41 C ATOM 1280 CG LEU H1021 8.296 -10.164 2.127 1.00 17.59 C ATOM 1281 CD1 LEU H1021 9.198 -11.229 1.525 1.00 18.47 C ATOM 1282 CD2 LEU H1021 8.811 -9.778 3.505 1.00 17.56 C ATOM 1283 H LEU H1021 9.563 -9.366 -0.952 1.00 0.00 H ATOM 1284 N THR H1022 5.969 -7.299 -0.537 1.00 15.35 N ATOM 1285 CA THR H1022 5.556 -5.993 -1.067 1.00 16.57 C ATOM 1286 C THR H1022 4.878 -5.065 -0.060 1.00 16.07 C ATOM 1287 O THR H1022 4.470 -5.461 1.030 1.00 15.63 O ATOM 1288 CB THR H1022 4.679 -6.111 -2.342 1.00 16.50 C ATOM 1289 OG1 THR H1022 3.385 -6.624 -2.016 1.00 17.91 O ATOM 1290 CG2 THR H1022 5.349 -6.953 -3.389 1.00 16.69 C ATOM 1291 HG1 THR H1022 3.480 -7.521 -1.607 1.00 0.00 H ATOM 1292 H THR H1022 5.286 -7.890 -0.022 1.00 0.00 H ATOM 1293 N CYS H1023 4.815 -3.796 -0.434 1.00 16.25 N ATOM 1294 CA CYS H1023 4.498 -2.733 0.476 1.00 16.94 C ATOM 1295 C CYS H1023 3.732 -1.695 -0.333 1.00 18.08 C ATOM 1296 O CYS H1023 4.292 -1.003 -1.168 1.00 18.48 O ATOM 1297 CB CYS H1023 5.815 -2.150 1.023 1.00 17.74 C ATOM 1298 SG CYS H1023 5.607 -0.740 2.137 1.00 19.20 S ATOM 1299 H CYS H1023 5.003 -3.560 -1.429 1.00 0.00 H ATOM 1300 N ARG H1024 2.422 -1.626 -0.110 1.00 19.69 N ATOM 1301 CA ARG H1024 1.547 -0.735 -0.857 1.00 20.60 C ATOM 1302 C ARG H1024 1.092 0.471 -0.024 1.00 20.88 C ATOM 1303 O ARG H1024 0.836 0.344 1.161 1.00 20.03 O ATOM 1304 CB ARG H1024 0.325 -1.544 -1.286 1.00 21.04 C ATOM 1305 CG ARG H1024 -0.736 -0.777 -2.015 1.00 24.89 C ATOM 1306 CD ARG H1024 -1.771 -1.741 -2.572 1.00 25.99 C ATOM 1307 NE ARG H1024 -1.400 -2.328 -3.853 1.00 28.04 N ATOM 1308 CZ ARG H1024 -1.431 -1.705 -5.030 1.00 27.56 C ATOM 1309 NH1 ARG H1024 -1.813 -0.438 -5.131 1.00 27.92 N ATOM 1310 NH2 ARG H1024 -1.067 -2.360 -6.126 1.00 27.70 N ATOM 1311 HE ARG H1024 -1.084 -3.319 -3.848 1.00 0.00 H ATOM 1312 HH12 ARG H1024 -1.829 0.028 -6.061 1.00 0.00 H ATOM 1313 HH11 ARG H1024 -2.096 0.089 -4.280 1.00 0.00 H ATOM 1314 HH22 ARG H1024 -1.088 -1.881 -7.049 1.00 0.00 H ATOM 1315 HH21 ARG H1024 -0.761 -3.352 -6.061 1.00 0.00 H ATOM 1316 H ARG H1024 2.008 -2.232 0.626 1.00 0.00 H ATOM 1317 N SER H1025 0.995 1.623 -0.681 1.00 22.06 N ATOM 1318 CA SER H1025 0.464 2.870 -0.106 1.00 23.64 C ATOM 1319 C SER H1025 -1.010 3.111 -0.500 1.00 24.81 C ATOM 1320 O SER H1025 -1.359 3.024 -1.692 1.00 24.86 O ATOM 1321 CB SER H1025 1.283 4.048 -0.629 1.00 24.46 C ATOM 1322 OG SER H1025 0.778 5.274 -0.101 1.00 26.61 O ATOM 1323 HG SER H1025 1.317 6.028 -0.448 1.00 0.00 H ATOM 1324 H SER H1025 1.317 1.645 -1.670 1.00 0.00 H ATOM 1325 N SER H1026 -1.856 3.426 0.487 1.00 27.60 N ATOM 1326 CA SER H1026 -3.259 3.777 0.237 1.00 28.95 C ATOM 1327 C SER H1026 -3.379 5.079 -0.566 1.00 30.68 C ATOM 1328 O SER H1026 -4.377 5.278 -1.260 1.00 34.95 O ATOM 1329 CB SER H1026 -4.038 3.895 1.547 1.00 28.87 C ATOM 1330 OG SER H1026 -3.584 5.003 2.281 1.00 28.67 O ATOM 1331 HG SER H1026 -3.717 5.827 1.748 1.00 0.00 H ATOM 1332 H SER H1026 -1.507 3.422 1.467 1.00 0.00 H ATOM 1333 N THR H1027 -2.367 5.944 -0.483 1.00 30.56 N ATOM 1334 CA THR H1027 -2.391 7.267 -1.143 1.00 31.71 C ATOM 1335 C THR H1027 -2.296 7.131 -2.652 1.00 31.30 C ATOM 1336 O THR H1027 -2.635 8.041 -3.413 1.00 33.53 O ATOM 1337 CB THR H1027 -1.231 8.182 -0.679 1.00 31.89 C ATOM 1338 OG1 THR H1027 0.035 7.664 -1.125 1.00 32.86 O ATOM 1339 CG2 THR H1027 -1.223 8.326 0.837 1.00 32.79 C ATOM 1340 HG1 THR H1027 0.171 6.758 -0.749 1.00 0.00 H ATOM 1341 H THR H1027 -1.527 5.677 0.068 1.00 0.00 H ATOM 1342 N GLY H1027A -1.865 5.783 -3.385 1.00 27.32 N ATOM 1343 CA GLY H1027A -1.361 5.771 -4.733 1.00 27.76 C ATOM 1344 C GLY H1027A -0.004 5.128 -4.747 1.00 27.42 C ATOM 1345 O GLY H1027A 0.326 4.401 -3.837 1.00 26.87 O ATOM 1346 H GLY H1027A -1.951 4.882 -2.872 1.00 0.00 H ATOM 1347 N ALA H1027B 0.640 5.314 -6.187 1.00 27.92 N ATOM 1348 CA ALA H1027B 1.882 4.586 -6.395 1.00 27.03 C ATOM 1349 C ALA H1027B 2.898 4.978 -5.324 1.00 25.77 C ATOM 1350 O ALA H1027B 2.943 6.092 -4.815 1.00 26.57 O ATOM 1351 CB ALA H1027B 2.434 4.860 -7.762 1.00 27.15 C ATOM 1352 H ALA H1027B 0.208 5.909 -6.923 1.00 0.00 H ATOM 1353 N VAL H1027C 3.800 3.900 -4.777 1.00 22.59 N ATOM 1354 CA VAL H1027C 5.033 4.182 -4.096 1.00 22.49 C ATOM 1355 C VAL H1027C 6.082 4.640 -5.113 1.00 23.37 C ATOM 1356 O VAL H1027C 6.235 4.067 -6.218 1.00 24.99 O ATOM 1357 CB VAL H1027C 5.484 2.962 -3.293 1.00 21.56 C ATOM 1358 CG1 VAL H1027C 6.776 3.276 -2.565 1.00 21.02 C ATOM 1359 CG2 VAL H1027C 4.390 2.534 -2.311 1.00 22.11 C ATOM 1360 H VAL H1027C 3.516 2.907 -4.898 1.00 0.00 H ATOM 1361 N THR H1028 6.781 5.710 -4.754 1.00 23.36 N ATOM 1362 CA THR H1028 7.844 6.248 -5.574 1.00 24.37 C ATOM 1363 C THR H1028 9.088 6.380 -4.711 1.00 23.05 C ATOM 1364 O THR H1028 9.035 6.162 -3.499 1.00 20.66 O ATOM 1365 CB THR H1028 7.445 7.622 -6.131 1.00 26.04 C ATOM 1366 OG1 THR H1028 7.541 8.603 -5.102 1.00 27.50 O ATOM 1367 CG2 THR H1028 5.983 7.582 -6.673 1.00 28.89 C ATOM 1368 HG1 THR H1028 7.283 9.487 -5.465 1.00 0.00 H ATOM 1369 H THR H1028 6.557 6.177 -3.852 1.00 0.00 H ATOM 1370 N THR H1029 10.214 6.731 -5.326 1.00 23.83 N ATOM 1371 CA THR H1029 11.438 6.968 -4.555 1.00 24.23 C ATOM 1372 C THR H1029 11.288 8.116 -3.540 1.00 24.26 C ATOM 1373 O THR H1029 12.059 8.173 -2.597 1.00 23.62 O ATOM 1374 CB THR H1029 12.633 7.231 -5.467 1.00 25.81 C ATOM 1375 OG1 THR H1029 12.313 8.340 -6.332 1.00 25.75 O ATOM 1376 CG2 THR H1029 12.922 5.964 -6.308 1.00 25.97 C ATOM 1377 HG1 THR H1029 12.124 9.142 -5.783 1.00 0.00 H ATOM 1378 H THR H1029 10.226 6.838 -6.360 1.00 0.00 H ATOM 1379 N SER H1030 10.299 9.005 -3.738 1.00 24.43 N ATOM 1380 CA SER H1030 9.975 10.068 -2.769 1.00 24.98 C ATOM 1381 C SER H1030 9.330 9.593 -1.459 1.00 23.60 C ATOM 1382 O SER H1030 9.192 10.367 -0.528 1.00 23.67 O ATOM 1383 CB SER H1030 9.122 11.164 -3.420 1.00 27.48 C ATOM 1384 OG SER H1030 9.908 11.818 -4.389 1.00 29.65 O ATOM 1385 HG SER H1030 9.373 12.530 -4.821 1.00 0.00 H ATOM 1386 H SER H1030 9.739 8.940 -4.612 1.00 0.00 H ATOM 1387 N ASN H1031 8.951 8.318 -1.416 1.00 22.47 N ATOM 1388 CA ASN H1031 8.562 7.647 -0.187 1.00 20.98 C ATOM 1389 C ASN H1031 9.717 6.960 0.576 1.00 20.56 C ATOM 1390 O ASN H1031 9.480 6.455 1.674 1.00 19.53 O ATOM 1391 CB ASN H1031 7.476 6.623 -0.485 1.00 21.85 C ATOM 1392 CG ASN H1031 6.193 7.246 -1.020 1.00 23.13 C ATOM 1393 OD1 ASN H1031 5.736 6.911 -2.112 1.00 24.25 O ATOM 1394 ND2 ASN H1031 5.595 8.128 -0.242 1.00 23.02 N ATOM 1395 HD22 ASN H1031 6.016 8.383 0.674 1.00 0.00 H ATOM 1396 HD21 ASN H1031 4.703 8.568 -0.545 1.00 0.00 H ATOM 1397 H ASN H1031 8.932 7.776 -2.304 1.00 0.00 H ATOM 1398 N TYR H1032 10.929 6.922 0.007 1.00 19.58 N ATOM 1399 CA TYR H1032 12.116 6.452 0.739 1.00 19.87 C ATOM 1400 C TYR H1032 11.867 5.157 1.511 1.00 18.36 C ATOM 1401 O TYR H1032 12.178 5.073 2.692 1.00 18.60 O ATOM 1402 CB TYR H1032 12.605 7.557 1.690 1.00 20.36 C ATOM 1403 CG TYR H1032 13.005 8.790 0.915 1.00 22.90 C ATOM 1404 CD1 TYR H1032 14.295 8.925 0.382 1.00 24.91 C ATOM 1405 CD2 TYR H1032 12.064 9.785 0.637 1.00 24.18 C ATOM 1406 CE1 TYR H1032 14.637 10.044 -0.368 1.00 26.19 C ATOM 1407 CE2 TYR H1032 12.399 10.892 -0.112 1.00 26.26 C ATOM 1408 CZ TYR H1032 13.685 11.008 -0.624 1.00 27.94 C ATOM 1409 OH TYR H1032 14.004 12.131 -1.386 1.00 31.12 O ATOM 1410 HH TYR H1032 14.948 12.073 -1.679 1.00 0.00 H ATOM 1411 H TYR H1032 11.034 7.233 -0.980 1.00 0.00 H ATOM 1412 N ALA H1033 11.374 4.133 0.818 1.00 18.50 N ATOM 1413 CA ALA H1033 10.931 2.911 1.484 1.00 18.23 C ATOM 1414 C ALA H1033 12.081 2.303 2.267 1.00 18.15 C ATOM 1415 O ALA H1033 13.207 2.202 1.750 1.00 17.94 O ATOM 1416 CB ALA H1033 10.368 1.910 0.498 1.00 18.98 C ATOM 1417 H ALA H1033 11.303 4.204 -0.217 1.00 0.00 H ATOM 1418 N ASN H1034 11.789 1.923 3.507 1.00 16.69 N ATOM 1419 CA ASN H1034 12.705 1.131 4.325 1.00 16.16 C ATOM 1420 C ASN H1034 12.120 -0.232 4.602 1.00 16.54 C ATOM 1421 O ASN H1034 10.900 -0.404 4.647 1.00 16.81 O ATOM 1422 CB ASN H1034 12.958 1.797 5.681 1.00 16.31 C ATOM 1423 CG ASN H1034 13.993 2.875 5.617 1.00 17.00 C ATOM 1424 OD1 ASN H1034 15.037 2.793 6.275 1.00 17.19 O ATOM 1425 ND2 ASN H1034 13.731 3.894 4.804 1.00 17.46 N ATOM 1426 HD22 ASN H1034 12.838 3.918 4.271 1.00 0.00 H ATOM 1427 HD21 ASN H1034 14.419 4.667 4.701 1.00 0.00 H ATOM 1428 H ASN H1034 10.872 2.201 3.911 1.00 0.00 H ATOM 1429 N TRP H1035 13.001 -1.191 4.837 1.00 15.70 N ATOM 1430 CA TRP H1035 12.629 -2.529 5.233 1.00 15.84 C ATOM 1431 C TRP H1035 13.397 -2.887 6.471 1.00 16.07 C ATOM 1432 O TRP H1035 14.604 -2.728 6.513 1.00 17.66 O ATOM 1433 CB TRP H1035 12.911 -3.535 4.107 1.00 15.48 C ATOM 1434 CG TRP H1035 12.043 -3.338 2.906 1.00 14.86 C ATOM 1435 CD1 TRP H1035 12.279 -2.543 1.802 1.00 15.45 C ATOM 1436 CD2 TRP H1035 10.765 -3.931 2.705 1.00 14.68 C ATOM 1437 NE1 TRP H1035 11.234 -2.650 0.911 1.00 15.30 N ATOM 1438 CE2 TRP H1035 10.287 -3.488 1.445 1.00 15.28 C ATOM 1439 CE3 TRP H1035 10.003 -4.823 3.444 1.00 14.67 C ATOM 1440 CZ2 TRP H1035 9.071 -3.877 0.940 1.00 15.77 C ATOM 1441 CZ3 TRP H1035 8.775 -5.244 2.897 1.00 15.19 C ATOM 1442 CH2 TRP H1035 8.346 -4.773 1.671 1.00 15.16 C ATOM 1443 HE1 TRP H1035 11.173 -2.175 -0.012 1.00 0.00 H ATOM 1444 H TRP H1035 14.012 -0.970 4.731 1.00 0.00 H ATOM 1445 N VAL H1036 12.678 -3.388 7.470 1.00 16.43 N ATOM 1446 CA VAL H1036 13.244 -3.753 8.766 1.00 17.30 C ATOM 1447 C VAL H1036 12.839 -5.176 9.123 1.00 17.25 C ATOM 1448 O VAL H1036 11.688 -5.568 8.921 1.00 17.98 O ATOM 1449 CB VAL H1036 12.726 -2.792 9.857 1.00 17.50 C ATOM 1450 CG1 VAL H1036 13.215 -3.216 11.215 1.00 18.52 C ATOM 1451 CG2 VAL H1036 13.165 -1.356 9.516 1.00 18.11 C ATOM 1452 H VAL H1036 11.658 -3.528 7.321 1.00 0.00 H ATOM 1453 N GLN H1037 13.787 -5.937 9.655 1.00 16.56 N ATOM 1454 CA GLN H1037 13.559 -7.311 10.056 1.00 16.43 C ATOM 1455 C GLN H1037 13.421 -7.449 11.556 1.00 17.24 C ATOM 1456 O GLN H1037 14.288 -6.971 12.293 1.00 15.92 O ATOM 1457 CB GLN H1037 14.762 -8.146 9.633 1.00 17.13 C ATOM 1458 CG GLN H1037 14.619 -9.636 9.851 1.00 17.08 C ATOM 1459 CD GLN H1037 15.941 -10.323 9.733 1.00 18.47 C ATOM 1460 OE1 GLN H1037 16.884 -9.990 10.476 1.00 20.67 O ATOM 1461 NE2 GLN H1037 16.049 -11.276 8.815 1.00 18.68 N ATOM 1462 HE22 GLN H1037 15.232 -11.518 8.218 1.00 0.00 H ATOM 1463 HE21 GLN H1037 16.950 -11.780 8.693 1.00 0.00 H ATOM 1464 H GLN H1037 14.734 -5.530 9.790 1.00 0.00 H ATOM 1465 N GLU H1038 12.398 -8.182 12.001 1.00 16.42 N ATOM 1466 CA GLU H1038 12.233 -8.508 13.412 1.00 17.67 C ATOM 1467 C GLU H1038 12.492 -9.995 13.624 1.00 18.06 C ATOM 1468 O GLU H1038 11.757 -10.837 13.084 1.00 17.53 O ATOM 1469 CB GLU H1038 10.805 -8.177 13.886 1.00 17.15 C ATOM 1470 CG GLU H1038 10.594 -8.467 15.358 1.00 18.55 C ATOM 1471 CD GLU H1038 9.168 -8.378 15.834 1.00 19.59 C ATOM 1472 OE1 GLU H1038 8.274 -8.033 15.043 1.00 20.29 O ATOM 1473 OE2 GLU H1038 8.965 -8.634 17.053 1.00 20.49 O ATOM 1474 H GLU H1038 11.696 -8.532 11.318 1.00 0.00 H ATOM 1475 N LYS H1039 13.558 -10.311 14.371 1.00 19.96 N ATOM 1476 CA LYS H1039 13.831 -11.685 14.773 1.00 22.84 C ATOM 1477 C LYS H1039 13.417 -11.926 16.236 1.00 25.41 C ATOM 1478 O LYS H1039 13.174 -10.984 16.994 1.00 23.72 O ATOM 1479 CB LYS H1039 15.297 -12.017 14.517 1.00 24.78 C ATOM 1480 CG LYS H1039 15.609 -12.315 13.048 1.00 28.59 C ATOM 1481 CD LYS H1039 16.994 -12.944 12.899 1.00 33.60 C ATOM 1482 CE LYS H1039 17.387 -13.182 11.447 1.00 36.60 C ATOM 1483 NZ LYS H1039 18.710 -13.883 11.281 1.00 36.78 N ATOM 1484 HZ1 LYS H1039 19.462 -13.310 11.714 1.00 0.00 H ATOM 1485 HZ2 LYS H1039 18.669 -14.812 11.746 1.00 0.00 H ATOM 1486 HZ3 LYS H1039 18.909 -14.010 10.268 1.00 0.00 H ATOM 1487 H LYS H1039 14.208 -9.557 14.672 1.00 0.00 H ATOM 1488 N PRO H1040 13.329 -13.197 16.641 1.00 28.72 N ATOM 1489 CA PRO H1040 12.673 -13.416 17.922 1.00 33.59 C ATOM 1490 C PRO H1040 13.247 -12.659 19.099 1.00 36.69 C ATOM 1491 O PRO H1040 14.425 -12.285 19.129 1.00 39.59 O ATOM 1492 CB PRO H1040 12.801 -14.924 18.131 1.00 33.45 C ATOM 1493 CG PRO H1040 12.699 -15.447 16.735 1.00 32.17 C ATOM 1494 CD PRO H1040 13.445 -14.452 15.874 1.00 31.75 C ATOM 1495 N ASP H1041 12.363 -12.526 20.077 1.00 37.15 N ATOM 1496 CA ASP H1041 12.405 -11.546 21.117 1.00 38.80 C ATOM 1497 C ASP H1041 12.884 -10.188 20.671 1.00 34.04 C ATOM 1498 O ASP H1041 13.828 -9.599 21.241 1.00 30.33 O ATOM 1499 CB ASP H1041 13.080 -12.040 22.389 1.00 44.65 C ATOM 1500 CG ASP H1041 12.171 -11.830 23.618 1.00 51.35 C ATOM 1501 OD1 ASP H1041 10.987 -11.488 23.412 1.00 57.14 O ATOM 1502 OD2 ASP H1041 12.608 -12.020 24.766 1.00 59.84 O ATOM 1503 H ASP H1041 11.567 -13.195 20.089 1.00 0.00 H ATOM 1504 N HIS H1042 12.136 -9.671 19.698 1.00 29.88 N ATOM 1505 CA HIS H1042 12.114 -8.227 19.416 1.00 28.16 C ATOM 1506 C HIS H1042 13.489 -7.674 19.056 1.00 26.51 C ATOM 1507 O HIS H1042 13.904 -6.620 19.568 1.00 26.62 O ATOM 1508 CB HIS H1042 11.556 -7.496 20.638 1.00 28.90 C ATOM 1509 CG HIS H1042 10.221 -8.005 21.077 1.00 29.63 C ATOM 1510 ND1 HIS H1042 9.055 -7.731 20.398 1.00 29.01 N ATOM 1511 CD2 HIS H1042 9.870 -8.789 22.120 1.00 29.63 C ATOM 1512 CE1 HIS H1042 8.045 -8.323 21.007 1.00 28.41 C ATOM 1513 NE2 HIS H1042 8.513 -8.969 22.057 1.00 30.43 N ATOM 1514 H HIS H1042 11.550 -10.307 19.120 1.00 0.00 H ATOM 1515 N LEU H1043 14.195 -8.401 18.191 1.00 23.83 N ATOM 1516 CA LEU H1043 15.511 -7.991 17.696 1.00 24.24 C ATOM 1517 C LEU H1043 15.308 -7.410 16.305 1.00 21.47 C ATOM 1518 O LEU H1043 15.079 -8.155 15.348 1.00 20.64 O ATOM 1519 CB LEU H1043 16.460 -9.182 17.621 1.00 27.09 C ATOM 1520 CG LEU H1043 16.806 -9.882 18.928 1.00 31.49 C ATOM 1521 CD1 LEU H1043 17.779 -11.024 18.662 1.00 33.80 C ATOM 1522 CD2 LEU H1043 17.354 -8.891 19.961 1.00 33.13 C ATOM 1523 H LEU H1043 13.794 -9.299 17.852 1.00 0.00 H ATOM 1524 N PHE H1044 15.365 -6.086 16.201 1.00 19.78 N ATOM 1525 CA PHE H1044 15.112 -5.389 14.934 1.00 19.12 C ATOM 1526 C PHE H1044 16.387 -4.945 14.271 1.00 20.37 C ATOM 1527 O PHE H1044 17.301 -4.411 14.934 1.00 20.90 O ATOM 1528 CB PHE H1044 14.263 -4.149 15.170 1.00 18.99 C ATOM 1529 CG PHE H1044 12.840 -4.452 15.507 1.00 19.58 C ATOM 1530 CD1 PHE H1044 12.440 -4.636 16.817 1.00 20.16 C ATOM 1531 CD2 PHE H1044 11.907 -4.538 14.518 1.00 19.89 C ATOM 1532 CE1 PHE H1044 11.116 -4.888 17.114 1.00 21.42 C ATOM 1533 CE2 PHE H1044 10.589 -4.802 14.797 1.00 20.75 C ATOM 1534 CZ PHE H1044 10.199 -5.011 16.094 1.00 20.81 C ATOM 1535 H PHE H1044 15.597 -5.525 17.046 1.00 0.00 H ATOM 1536 N THR H1045 16.469 -5.176 12.968 1.00 19.43 N ATOM 1537 CA THR H1045 17.582 -4.662 12.189 1.00 21.24 C ATOM 1538 C THR H1045 17.100 -4.137 10.843 1.00 18.83 C ATOM 1539 O THR H1045 16.260 -4.752 10.161 1.00 18.21 O ATOM 1540 CB THR H1045 18.850 -5.605 12.163 1.00 24.37 C ATOM 1541 OG1 THR H1045 19.332 -5.819 10.826 1.00 30.34 O ATOM 1542 CG2 THR H1045 18.655 -6.882 12.811 1.00 23.09 C ATOM 1543 HG1 THR H1045 20.124 -6.413 10.853 1.00 0.00 H ATOM 1544 H THR H1045 15.727 -5.732 12.498 1.00 0.00 H ATOM 1545 N GLY H1046 17.574 -2.946 10.502 1.00 18.39 N ATOM 1546 CA GLY H1046 17.240 -2.342 9.237 1.00 17.94 C ATOM 1547 C GLY H1046 17.997 -3.005 8.115 1.00 17.95 C ATOM 1548 O GLY H1046 19.223 -3.218 8.212 1.00 19.12 O ATOM 1549 H GLY H1046 18.199 -2.438 11.160 1.00 0.00 H ATOM 1550 N LEU H1047 17.282 -3.335 7.048 1.00 16.67 N ATOM 1551 CA LEU H1047 17.896 -4.003 5.890 1.00 17.73 C ATOM 1552 C LEU H1047 18.151 -3.079 4.697 1.00 17.28 C ATOM 1553 O LEU H1047 19.234 -3.113 4.110 1.00 17.83 O ATOM 1554 CB LEU H1047 16.986 -5.142 5.453 1.00 18.59 C ATOM 1555 CG LEU H1047 16.766 -6.237 6.481 1.00 19.25 C ATOM 1556 CD1 LEU H1047 15.892 -7.291 5.864 1.00 20.44 C ATOM 1557 CD2 LEU H1047 18.089 -6.794 6.979 1.00 20.69 C ATOM 1558 H LEU H1047 16.265 -3.117 7.029 1.00 0.00 H ATOM 1559 N ILE H1048 17.154 -2.271 4.379 1.00 17.39 N ATOM 1560 CA ILE H1048 17.120 -1.403 3.223 1.00 18.05 C ATOM 1561 C ILE H1048 16.550 -0.056 3.642 1.00 19.06 C ATOM 1562 O ILE H1048 15.601 -0.007 4.389 1.00 17.46 O ATOM 1563 CB ILE H1048 16.162 -1.960 2.144 1.00 19.00 C ATOM 1564 CG1 ILE H1048 16.596 -3.350 1.682 1.00 19.07 C ATOM 1565 CG2 ILE H1048 16.027 -1.010 0.956 1.00 19.69 C ATOM 1566 CD1 ILE H1048 17.882 -3.420 0.880 1.00 20.07 C ATOM 1567 H ILE H1048 16.328 -2.259 5.011 1.00 0.00 H ATOM 1568 N GLY H1049 17.121 1.020 3.089 1.00 18.44 N ATOM 1569 CA GLY H1049 16.588 2.365 3.216 1.00 18.64 C ATOM 1570 C GLY H1049 16.679 3.065 1.877 1.00 18.71 C ATOM 1571 O GLY H1049 17.298 2.568 0.966 1.00 19.68 O ATOM 1572 H GLY H1049 17.993 0.886 2.539 1.00 0.00 H ATOM 1573 N GLY H1050 16.003 4.205 1.745 1.00 19.47 N ATOM 1574 CA GLY H1050 16.019 4.965 0.499 1.00 19.70 C ATOM 1575 C GLY H1050 15.679 4.094 -0.676 1.00 18.81 C ATOM 1576 O GLY H1050 16.356 4.126 -1.715 1.00 19.43 O ATOM 1577 H GLY H1050 15.450 4.563 2.550 1.00 0.00 H ATOM 1578 N THR H1051 14.650 3.268 -0.503 1.00 18.12 N ATOM 1579 CA THR H1051 14.126 2.393 -1.562 1.00 18.75 C ATOM 1580 C THR H1051 14.980 1.131 -1.800 1.00 19.19 C ATOM 1581 O THR H1051 14.467 0.010 -1.702 1.00 17.54 O ATOM 1582 CB THR H1051 13.886 3.101 -2.925 1.00 18.69 C ATOM 1583 OG1 THR H1051 13.001 4.206 -2.772 1.00 20.46 O ATOM 1584 CG2 THR H1051 13.207 2.152 -3.889 1.00 19.52 C ATOM 1585 HG1 THR H1051 13.394 4.857 -2.138 1.00 0.00 H ATOM 1586 H THR H1051 14.192 3.240 0.430 1.00 0.00 H ATOM 1587 N ASN H1052 16.263 1.315 -2.132 1.00 19.58 N ATOM 1588 CA ASN H1052 17.102 0.198 -2.501 1.00 19.74 C ATOM 1589 C ASN H1052 18.548 0.241 -2.003 1.00 20.43 C ATOM 1590 O ASN H1052 19.400 -0.423 -2.552 1.00 19.30 O ATOM 1591 CB ASN H1052 17.094 0.074 -4.020 1.00 21.29 C ATOM 1592 CG ASN H1052 17.581 1.328 -4.700 1.00 22.90 C ATOM 1593 OD1 ASN H1052 18.120 2.240 -4.047 1.00 22.45 O ATOM 1594 ND2 ASN H1052 17.408 1.387 -6.010 1.00 24.50 N ATOM 1595 HD22 ASN H1052 16.952 0.598 -6.510 1.00 0.00 H ATOM 1596 HD21 ASN H1052 17.728 2.223 -6.540 1.00 0.00 H ATOM 1597 H ASN H1052 16.662 2.275 -2.124 1.00 0.00 H ATOM 1598 N ASN H1053 18.807 1.016 -0.968 1.00 20.43 N ATOM 1599 CA ASN H1053 20.124 1.060 -0.391 1.00 24.05 C ATOM 1600 C ASN H1053 20.275 0.084 0.767 1.00 23.85 C ATOM 1601 O ASN H1053 19.670 0.235 1.822 1.00 25.70 O ATOM 1602 CB ASN H1053 20.477 2.474 0.046 1.00 26.74 C ATOM 1603 CG ASN H1053 21.734 2.952 -0.635 1.00 35.31 C ATOM 1604 OD1 ASN H1053 22.864 2.589 -0.237 1.00 38.42 O ATOM 1605 ND2 ASN H1053 21.548 3.680 -1.747 1.00 37.02 N ATOM 1606 HD22 ASN H1053 20.587 3.956 -2.033 1.00 0.00 H ATOM 1607 HD21 ASN H1053 22.365 3.969 -2.322 1.00 0.00 H ATOM 1608 H ASN H1053 18.050 1.603 -0.564 1.00 0.00 H ATOM 1609 N ARG H1054 21.148 -0.890 0.592 1.00 26.23 N ATOM 1610 CA ARG H1054 21.332 -1.903 1.606 1.00 26.85 C ATOM 1611 C ARG H1054 22.143 -1.336 2.796 1.00 29.96 C ATOM 1612 O ARG H1054 23.221 -0.803 2.596 1.00 28.13 O ATOM 1613 CB ARG H1054 21.989 -3.110 0.916 1.00 29.00 C ATOM 1614 CG ARG H1054 22.127 -4.325 1.763 1.00 30.51 C ATOM 1615 CD ARG H1054 22.177 -5.595 0.952 1.00 31.36 C ATOM 1616 NE ARG H1054 22.816 -5.453 -0.337 1.00 34.64 N ATOM 1617 CZ ARG H1054 24.109 -5.652 -0.593 1.00 40.76 C ATOM 1618 NH1 ARG H1054 24.982 -6.015 0.358 1.00 42.47 N ATOM 1619 NH2 ARG H1054 24.538 -5.496 -1.840 1.00 44.22 N ATOM 1620 HE ARG H1054 22.213 -5.170 -1.136 1.00 0.00 H ATOM 1621 HH12 ARG H1054 25.983 -6.160 0.117 1.00 0.00 H ATOM 1622 HH11 ARG H1054 24.658 -6.151 1.337 1.00 0.00 H ATOM 1623 HH22 ARG H1054 25.542 -5.645 -2.067 1.00 0.00 H ATOM 1624 HH21 ARG H1054 23.870 -5.225 -2.590 1.00 0.00 H ATOM 1625 H ARG H1054 21.708 -0.929 -0.283 1.00 0.00 H ATOM 1626 N ALA H1055 21.608 -1.409 4.017 1.00 29.67 N ATOM 1627 CA ALA H1055 22.377 -0.947 5.216 1.00 34.48 C ATOM 1628 C ALA H1055 23.745 -1.690 5.366 1.00 35.80 C ATOM 1629 O ALA H1055 23.924 -2.802 4.869 1.00 32.17 O ATOM 1630 CB ALA H1055 21.513 -1.078 6.474 1.00 33.72 C ATOM 1631 H ALA H1055 20.648 -1.790 4.137 1.00 0.00 H ATOM 1632 N PRO H1056 24.740 -1.069 6.037 1.00 40.90 N ATOM 1633 CA PRO H1056 26.060 -1.756 6.043 1.00 40.67 C ATOM 1634 C PRO H1056 26.034 -3.149 6.715 1.00 36.76 C ATOM 1635 O PRO H1056 25.294 -3.379 7.685 1.00 33.91 O ATOM 1636 CB PRO H1056 26.989 -0.771 6.787 1.00 44.41 C ATOM 1637 CG PRO H1056 26.073 0.163 7.540 1.00 45.96 C ATOM 1638 CD PRO H1056 24.703 0.127 6.901 1.00 44.44 C ATOM 1639 N GLY H1057 26.805 -4.077 6.156 1.00 35.59 N ATOM 1640 CA GLY H1057 26.883 -5.432 6.687 1.00 31.29 C ATOM 1641 C GLY H1057 25.616 -6.261 6.491 1.00 27.06 C ATOM 1642 O GLY H1057 25.549 -7.399 6.932 1.00 25.66 O ATOM 1643 H GLY H1057 27.368 -3.829 5.317 1.00 0.00 H ATOM 1644 N VAL H1058 24.620 -5.710 5.804 1.00 24.26 N ATOM 1645 CA VAL H1058 23.435 -6.483 5.460 1.00 22.09 C ATOM 1646 C VAL H1058 23.789 -7.433 4.299 1.00 19.95 C ATOM 1647 O VAL H1058 24.418 -7.010 3.328 1.00 19.89 O ATOM 1648 CB VAL H1058 22.240 -5.565 5.135 1.00 21.97 C ATOM 1649 CG1 VAL H1058 21.090 -6.316 4.467 1.00 21.16 C ATOM 1650 CG2 VAL H1058 21.746 -4.934 6.428 1.00 23.56 C ATOM 1651 H VAL H1058 24.688 -4.715 5.509 1.00 0.00 H ATOM 1652 N PRO H1059 23.402 -8.711 4.421 1.00 18.85 N ATOM 1653 CA PRO H1059 23.740 -9.670 3.391 1.00 18.30 C ATOM 1654 C PRO H1059 23.230 -9.306 2.003 1.00 17.99 C ATOM 1655 O PRO H1059 22.096 -8.790 1.821 1.00 16.76 O ATOM 1656 CB PRO H1059 23.097 -10.971 3.893 1.00 17.85 C ATOM 1657 CG PRO H1059 23.001 -10.809 5.356 1.00 18.57 C ATOM 1658 CD PRO H1059 22.665 -9.367 5.522 1.00 18.95 C ATOM 1659 N ALA H1060 24.044 -9.643 1.013 1.00 17.84 N ATOM 1660 CA ALA H1060 23.714 -9.356 -0.368 1.00 17.63 C ATOM 1661 C ALA H1060 22.447 -10.017 -0.944 1.00 17.11 C ATOM 1662 O ALA H1060 21.935 -9.546 -1.954 1.00 17.74 O ATOM 1663 CB ALA H1060 24.929 -9.655 -1.257 1.00 18.75 C ATOM 1664 H ALA H1060 24.940 -10.124 1.232 1.00 0.00 H ATOM 1665 N ARG H1061 21.990 -11.137 -0.356 1.00 16.37 N ATOM 1666 CA ARG H1061 20.714 -11.761 -0.757 1.00 16.29 C ATOM 1667 C ARG H1061 19.501 -10.865 -0.581 1.00 16.30 C ATOM 1668 O ARG H1061 18.473 -11.142 -1.206 1.00 17.26 O ATOM 1669 CB ARG H1061 20.451 -13.072 -0.032 1.00 16.35 C ATOM 1670 CG ARG H1061 20.209 -13.012 1.474 1.00 16.04 C ATOM 1671 CD ARG H1061 20.065 -14.437 1.999 1.00 16.74 C ATOM 1672 NE ARG H1061 19.901 -14.487 3.453 1.00 17.23 N ATOM 1673 CZ ARG H1061 20.892 -14.368 4.340 1.00 16.82 C ATOM 1674 NH1 ARG H1061 22.159 -14.181 3.936 1.00 17.74 N ATOM 1675 NH2 ARG H1061 20.631 -14.440 5.630 1.00 17.44 N ATOM 1676 HE ARG H1061 18.939 -14.626 3.823 1.00 0.00 H ATOM 1677 HH12 ARG H1061 22.921 -14.090 4.638 1.00 0.00 H ATOM 1678 HH11 ARG H1061 22.379 -14.127 2.921 1.00 0.00 H ATOM 1679 HH22 ARG H1061 21.401 -14.348 6.322 1.00 0.00 H ATOM 1680 HH21 ARG H1061 19.655 -14.589 5.955 1.00 0.00 H ATOM 1681 H ARG H1061 22.551 -11.575 0.402 1.00 0.00 H ATOM 1682 N PHE H1062 19.600 -9.792 0.226 1.00 15.53 N ATOM 1683 CA PHE H1062 18.488 -8.849 0.375 1.00 15.73 C ATOM 1684 C PHE H1062 18.593 -7.674 -0.609 1.00 15.95 C ATOM 1685 O PHE H1062 19.650 -7.041 -0.724 1.00 16.73 O ATOM 1686 CB PHE H1062 18.438 -8.276 1.819 1.00 15.10 C ATOM 1687 CG PHE H1062 18.202 -9.308 2.872 1.00 15.11 C ATOM 1688 CD1 PHE H1062 16.915 -9.724 3.148 1.00 15.81 C ATOM 1689 CD2 PHE H1062 19.260 -9.830 3.640 1.00 15.64 C ATOM 1690 CE1 PHE H1062 16.679 -10.685 4.123 1.00 16.22 C ATOM 1691 CE2 PHE H1062 19.011 -10.795 4.613 1.00 15.68 C ATOM 1692 CZ PHE H1062 17.728 -11.204 4.860 1.00 15.90 C ATOM 1693 H PHE H1062 20.482 -9.629 0.753 1.00 0.00 H ATOM 1694 N SER H1063 17.502 -7.366 -1.300 1.00 15.82 N ATOM 1695 CA SER H1063 17.499 -6.164 -2.165 1.00 16.65 C ATOM 1696 C SER H1063 16.158 -5.480 -2.161 1.00 17.36 C ATOM 1697 O SER H1063 15.132 -6.104 -1.963 1.00 18.43 O ATOM 1698 CB SER H1063 17.920 -6.481 -3.584 1.00 17.94 C ATOM 1699 OG SER H1063 17.037 -7.401 -4.207 1.00 18.31 O ATOM 1700 HG SER H1063 17.025 -8.246 -3.691 1.00 0.00 H ATOM 1701 H SER H1063 16.655 -7.965 -1.234 1.00 0.00 H ATOM 1702 N GLY H1064 16.198 -4.168 -2.332 1.00 17.58 N ATOM 1703 CA GLY H1064 14.995 -3.338 -2.363 1.00 17.36 C ATOM 1704 C GLY H1064 14.694 -2.874 -3.765 1.00 18.54 C ATOM 1705 O GLY H1064 15.602 -2.651 -4.575 1.00 20.11 O ATOM 1706 H GLY H1064 17.124 -3.709 -2.449 1.00 0.00 H ATOM 1707 N SER H1065 13.412 -2.742 -4.077 1.00 18.38 N ATOM 1708 CA SER H1065 12.996 -2.284 -5.392 1.00 18.72 C ATOM 1709 C SER H1065 11.632 -1.608 -5.327 1.00 18.89 C ATOM 1710 O SER H1065 10.996 -1.548 -4.275 1.00 17.77 O ATOM 1711 CB SER H1065 12.956 -3.449 -6.394 1.00 18.77 C ATOM 1712 OG SER H1065 12.065 -4.474 -5.973 1.00 18.56 O ATOM 1713 HG SER H1065 12.360 -4.826 -5.096 1.00 0.00 H ATOM 1714 H SER H1065 12.689 -2.971 -3.366 1.00 0.00 H ATOM 1715 N LEU H1066 11.241 -1.047 -6.471 1.00 19.21 N ATOM 1716 CA LEU H1066 9.872 -0.637 -6.728 1.00 19.70 C ATOM 1717 C LEU H1066 9.364 -1.536 -7.860 1.00 19.66 C ATOM 1718 O LEU H1066 10.014 -1.664 -8.898 1.00 20.00 O ATOM 1719 CB LEU H1066 9.784 0.812 -7.169 1.00 20.21 C ATOM 1720 CG LEU H1066 10.254 1.871 -6.185 1.00 21.02 C ATOM 1721 CD1 LEU H1066 10.149 3.235 -6.847 1.00 22.18 C ATOM 1722 CD2 LEU H1066 9.471 1.871 -4.874 1.00 21.78 C ATOM 1723 H LEU H1066 11.951 -0.896 -7.216 1.00 0.00 H ATOM 1724 N ILE H1067 8.225 -2.175 -7.643 1.00 19.92 N ATOM 1725 CA ILE H1067 7.673 -3.086 -8.626 1.00 21.52 C ATOM 1726 C ILE H1067 6.175 -2.870 -8.633 1.00 21.83 C ATOM 1727 O ILE H1067 5.551 -2.937 -7.571 1.00 20.33 O ATOM 1728 CB ILE H1067 7.968 -4.536 -8.238 1.00 24.37 C ATOM 1729 CG1 ILE H1067 9.484 -4.775 -8.153 1.00 27.62 C ATOM 1730 CG2 ILE H1067 7.394 -5.495 -9.275 1.00 25.78 C ATOM 1731 CD1 ILE H1067 9.860 -6.210 -7.779 1.00 28.85 C ATOM 1732 H ILE H1067 7.716 -2.020 -6.749 1.00 0.00 H ATOM 1733 N GLY H1068 5.610 -2.549 -9.797 1.00 21.14 N ATOM 1734 CA GLY H1068 4.151 -2.348 -9.917 1.00 22.59 C ATOM 1735 C GLY H1068 3.607 -1.324 -8.913 1.00 23.93 C ATOM 1736 O GLY H1068 2.537 -1.521 -8.305 1.00 25.57 O ATOM 1737 H GLY H1068 6.210 -2.438 -10.639 1.00 0.00 H ATOM 1738 N ASP H1069 4.308 -0.210 -8.768 1.00 24.10 N ATOM 1739 CA ASP H1069 3.845 0.862 -7.880 1.00 26.45 C ATOM 1740 C ASP H1069 3.741 0.486 -6.383 1.00 23.30 C ATOM 1741 O ASP H1069 3.046 1.151 -5.615 1.00 21.43 O ATOM 1742 CB ASP H1069 2.504 1.408 -8.371 1.00 30.73 C ATOM 1743 CG ASP H1069 2.611 2.095 -9.721 1.00 33.09 C ATOM 1744 OD1 ASP H1069 3.704 2.626 -10.074 1.00 35.84 O ATOM 1745 OD2 ASP H1069 1.578 2.120 -10.397 1.00 36.69 O ATOM 1746 H ASP H1069 5.199 -0.093 -9.291 1.00 0.00 H ATOM 1747 N LYS H1070 4.462 -0.557 -5.987 1.00 20.67 N ATOM 1748 CA LYS H1070 4.638 -0.930 -4.587 1.00 19.69 C ATOM 1749 C LYS H1070 6.142 -0.929 -4.347 1.00 19.28 C ATOM 1750 O LYS H1070 6.934 -1.031 -5.296 1.00 20.11 O ATOM 1751 CB LYS H1070 4.064 -2.312 -4.312 1.00 19.82 C ATOM 1752 CG LYS H1070 2.547 -2.386 -4.424 1.00 21.35 C ATOM 1753 CD LYS H1070 2.004 -3.719 -3.915 1.00 23.13 C ATOM 1754 CE LYS H1070 2.391 -4.876 -4.822 1.00 25.11 C ATOM 1755 NZ LYS H1070 1.778 -6.165 -4.395 1.00 26.36 N ATOM 1756 HZ1 LYS H1070 2.092 -6.394 -3.431 1.00 0.00 H ATOM 1757 HZ2 LYS H1070 0.742 -6.077 -4.411 1.00 0.00 H ATOM 1758 HZ3 LYS H1070 2.073 -6.920 -5.046 1.00 0.00 H ATOM 1759 H LYS H1070 4.926 -1.139 -6.713 1.00 0.00 H ATOM 1760 N ALA H1071 6.545 -0.777 -3.096 1.00 17.48 N ATOM 1761 CA ALA H1071 7.920 -1.091 -2.712 1.00 16.80 C ATOM 1762 C ALA H1071 8.016 -2.587 -2.517 1.00 16.70 C ATOM 1763 O ALA H1071 7.038 -3.264 -2.183 1.00 16.37 O ATOM 1764 CB ALA H1071 8.334 -0.361 -1.438 1.00 17.46 C ATOM 1765 H ALA H1071 5.877 -0.431 -2.378 1.00 0.00 H ATOM 1766 N ALA H1072 9.210 -3.125 -2.700 1.00 16.61 N ATOM 1767 CA ALA H1072 9.391 -4.551 -2.628 1.00 15.59 C ATOM 1768 C ALA H1072 10.750 -4.907 -2.045 1.00 15.64 C ATOM 1769 O ALA H1072 11.720 -4.200 -2.256 1.00 17.46 O ATOM 1770 CB ALA H1072 9.210 -5.187 -3.997 1.00 16.29 C ATOM 1771 H ALA H1072 10.026 -2.512 -2.898 1.00 0.00 H ATOM 1772 N LEU H1073 10.762 -5.978 -1.265 1.00 14.64 N ATOM 1773 CA LEU H1073 11.979 -6.569 -0.731 1.00 15.21 C ATOM 1774 C LEU H1073 12.088 -7.998 -1.261 1.00 15.44 C ATOM 1775 O LEU H1073 11.176 -8.785 -1.127 1.00 15.67 O ATOM 1776 CB LEU H1073 11.944 -6.577 0.802 1.00 15.36 C ATOM 1777 CG LEU H1073 13.059 -7.380 1.498 1.00 15.53 C ATOM 1778 CD1 LEU H1073 14.344 -6.584 1.438 1.00 15.73 C ATOM 1779 CD2 LEU H1073 12.703 -7.678 2.946 1.00 15.20 C ATOM 1780 H LEU H1073 9.852 -6.420 -1.022 1.00 0.00 H ATOM 1781 N THR H1074 13.231 -8.317 -1.855 1.00 15.21 N ATOM 1782 CA THR H1074 13.469 -9.607 -2.475 1.00 15.94 C ATOM 1783 C THR H1074 14.605 -10.278 -1.718 1.00 15.88 C ATOM 1784 O THR H1074 15.654 -9.648 -1.437 1.00 15.56 O ATOM 1785 CB THR H1074 13.825 -9.448 -3.969 1.00 16.60 C ATOM 1786 OG1 THR H1074 12.702 -8.877 -4.668 1.00 17.41 O ATOM 1787 CG2 THR H1074 14.115 -10.784 -4.577 1.00 16.34 C ATOM 1788 HG1 THR H1074 12.490 -7.991 -4.281 1.00 0.00 H ATOM 1789 H THR H1074 13.992 -7.609 -1.877 1.00 0.00 H ATOM 1790 N ILE H1075 14.389 -11.541 -1.343 1.00 15.10 N ATOM 1791 CA ILE H1075 15.465 -12.383 -0.854 1.00 15.72 C ATOM 1792 C ILE H1075 15.793 -13.390 -1.953 1.00 16.37 C ATOM 1793 O ILE H1075 14.958 -14.225 -2.311 1.00 16.51 O ATOM 1794 CB ILE H1075 15.083 -13.116 0.459 1.00 15.92 C ATOM 1795 CG1 ILE H1075 14.498 -12.130 1.478 1.00 17.28 C ATOM 1796 CG2 ILE H1075 16.307 -13.801 1.034 1.00 16.85 C ATOM 1797 CD1 ILE H1075 14.018 -12.820 2.747 1.00 17.77 C ATOM 1798 H ILE H1075 13.427 -11.931 -1.403 1.00 0.00 H ATOM 1799 N THR H1076 16.982 -13.259 -2.520 1.00 15.94 N ATOM 1800 CA THR H1076 17.392 -14.112 -3.622 1.00 16.37 C ATOM 1801 C THR H1076 18.223 -15.274 -3.052 1.00 16.42 C ATOM 1802 O THR H1076 19.427 -15.150 -2.826 1.00 16.39 O ATOM 1803 CB THR H1076 18.137 -13.299 -4.686 1.00 17.90 C ATOM 1804 OG1 THR H1076 17.243 -12.308 -5.208 1.00 17.05 O ATOM 1805 CG2 THR H1076 18.592 -14.221 -5.817 1.00 18.92 C ATOM 1806 HG1 THR H1076 16.946 -11.714 -4.474 1.00 0.00 H ATOM 1807 H THR H1076 17.636 -12.530 -2.169 1.00 0.00 H ATOM 1808 N GLY H1077 17.544 -16.396 -2.807 1.00 16.68 N ATOM 1809 CA GLY H1077 18.110 -17.553 -2.116 1.00 17.84 C ATOM 1810 C GLY H1077 17.825 -17.445 -0.631 1.00 18.57 C ATOM 1811 O GLY H1077 18.717 -17.043 0.213 1.00 20.42 O ATOM 1812 H GLY H1077 16.556 -16.451 -3.126 1.00 0.00 H ATOM 1813 N ALA H1078 16.568 -17.734 -0.246 1.00 17.55 N ATOM 1814 CA ALA H1078 16.198 -17.575 1.158 1.00 16.28 C ATOM 1815 C ALA H1078 16.989 -18.577 2.016 1.00 16.51 C ATOM 1816 O ALA H1078 17.316 -19.671 1.553 1.00 17.10 O ATOM 1817 CB ALA H1078 14.695 -17.784 1.367 1.00 16.28 C ATOM 1818 H ALA H1078 15.868 -18.067 -0.940 1.00 0.00 H ATOM 1819 N GLN H1079 17.354 -18.171 3.229 1.00 16.69 N ATOM 1820 CA GLN H1079 18.050 -19.061 4.169 1.00 17.13 C ATOM 1821 C GLN H1079 17.162 -19.291 5.380 1.00 18.86 C ATOM 1822 O GLN H1079 16.269 -18.502 5.676 1.00 16.85 O ATOM 1823 CB GLN H1079 19.405 -18.489 4.543 1.00 17.34 C ATOM 1824 CG GLN H1079 20.203 -18.228 3.272 1.00 17.63 C ATOM 1825 CD GLN H1079 21.599 -17.644 3.454 1.00 18.62 C ATOM 1826 OE1 GLN H1079 22.258 -17.327 2.457 1.00 17.54 O ATOM 1827 NE2 GLN H1079 22.067 -17.493 4.705 1.00 19.55 N ATOM 1828 HE22 GLN H1079 21.480 -17.772 5.517 1.00 0.00 H ATOM 1829 HE21 GLN H1079 23.016 -17.097 4.861 1.00 0.00 H ATOM 1830 H GLN H1079 17.141 -17.196 3.521 1.00 0.00 H ATOM 1831 N THR H1080 17.364 -20.406 6.067 1.00 19.34 N ATOM 1832 CA THR H1080 16.466 -20.754 7.171 1.00 20.17 C ATOM 1833 C THR H1080 16.367 -19.649 8.229 1.00 20.35 C ATOM 1834 O THR H1080 15.278 -19.396 8.790 1.00 20.38 O ATOM 1835 CB THR H1080 16.911 -22.066 7.811 1.00 20.83 C ATOM 1836 OG1 THR H1080 18.282 -21.968 8.200 1.00 24.40 O ATOM 1837 CG2 THR H1080 16.795 -23.139 6.826 1.00 20.02 C ATOM 1838 HG1 THR H1080 18.838 -21.785 7.402 1.00 0.00 H ATOM 1839 H THR H1080 18.158 -21.032 5.823 1.00 0.00 H ATOM 1840 N GLU H1081 17.484 -18.957 8.476 1.00 19.73 N ATOM 1841 CA GLU H1081 17.510 -17.868 9.464 1.00 21.32 C ATOM 1842 C GLU H1081 16.795 -16.608 9.030 1.00 20.63 C ATOM 1843 O GLU H1081 16.703 -15.663 9.825 1.00 21.03 O ATOM 1844 CB GLU H1081 18.948 -17.458 9.831 1.00 22.31 C ATOM 1845 CG GLU H1081 19.766 -17.001 8.646 1.00 22.90 C ATOM 1846 CD GLU H1081 20.603 -18.114 8.024 1.00 25.11 C ATOM 1847 OE1 GLU H1081 20.208 -19.333 7.922 1.00 26.94 O ATOM 1848 OE2 GLU H1081 21.694 -17.733 7.596 1.00 25.57 O ATOM 1849 H GLU H1081 18.354 -19.194 7.958 1.00 0.00 H ATOM 1850 N ASP H1082 16.311 -16.578 7.786 1.00 17.98 N ATOM 1851 CA ASP H1082 15.500 -15.462 7.312 1.00 17.04 C ATOM 1852 C ASP H1082 14.042 -15.540 7.743 1.00 17.33 C ATOM 1853 O ASP H1082 13.281 -14.596 7.494 1.00 15.66 O ATOM 1854 CB ASP H1082 15.609 -15.300 5.799 1.00 16.97 C ATOM 1855 CG ASP H1082 17.033 -15.060 5.354 1.00 16.99 C ATOM 1856 OD1 ASP H1082 17.843 -14.535 6.131 1.00 18.69 O ATOM 1857 OD2 ASP H1082 17.356 -15.417 4.212 1.00 16.52 O ATOM 1858 H ASP H1082 16.517 -17.367 7.141 1.00 0.00 H ATOM 1859 N GLU H1083 13.662 -16.634 8.390 1.00 18.17 N ATOM 1860 CA GLU H1083 12.319 -16.733 8.984 1.00 18.64 C ATOM 1861 C GLU H1083 12.217 -15.658 10.066 1.00 18.39 C ATOM 1862 O GLU H1083 13.016 -15.623 11.018 1.00 19.45 O ATOM 1863 CB GLU H1083 12.049 -18.137 9.509 1.00 19.82 C ATOM 1864 CG GLU H1083 10.697 -18.283 10.202 1.00 21.06 C ATOM 1865 CD GLU H1083 10.198 -19.701 10.268 1.00 23.31 C ATOM 1866 OE1 GLU H1083 10.344 -20.461 9.295 1.00 22.83 O ATOM 1867 OE2 GLU H1083 9.647 -20.057 11.328 1.00 26.75 O ATOM 1868 H GLU H1083 14.322 -17.433 8.479 1.00 0.00 H ATOM 1869 N ALA H1084 11.278 -14.735 9.872 1.00 17.86 N ATOM 1870 CA ALA H1084 11.263 -13.472 10.601 1.00 17.36 C ATOM 1871 C ALA H1084 10.055 -12.660 10.162 1.00 17.56 C ATOM 1872 O ALA H1084 9.342 -13.051 9.241 1.00 16.48 O ATOM 1873 CB ALA H1084 12.554 -12.693 10.338 1.00 18.01 C ATOM 1874 H ALA H1084 10.528 -14.921 9.176 1.00 0.00 H ATOM 1875 N ILE H1085 9.793 -11.560 10.858 1.00 16.71 N ATOM 1876 CA ILE H1085 8.760 -10.641 10.445 1.00 17.10 C ATOM 1877 C ILE H1085 9.456 -9.458 9.773 1.00 17.23 C ATOM 1878 O ILE H1085 10.473 -8.928 10.285 1.00 18.85 O ATOM 1879 CB ILE H1085 7.878 -10.212 11.617 1.00 18.07 C ATOM 1880 CG1 ILE H1085 7.233 -11.454 12.238 1.00 20.03 C ATOM 1881 CG2 ILE H1085 6.801 -9.248 11.138 1.00 17.93 C ATOM 1882 CD1 ILE H1085 6.589 -11.210 13.569 1.00 22.19 C ATOM 1883 H ILE H1085 10.343 -11.357 11.717 1.00 0.00 H ATOM 1884 N TYR H1086 8.936 -9.052 8.617 1.00 17.10 N ATOM 1885 CA TYR H1086 9.530 -7.969 7.836 1.00 16.58 C ATOM 1886 C TYR H1086 8.565 -6.789 7.756 1.00 17.16 C ATOM 1887 O TYR H1086 7.421 -6.955 7.339 1.00 17.53 O ATOM 1888 CB TYR H1086 9.894 -8.458 6.442 1.00 16.77 C ATOM 1889 CG TYR H1086 10.990 -9.464 6.470 1.00 15.38 C ATOM 1890 CD1 TYR H1086 10.720 -10.811 6.735 1.00 15.73 C ATOM 1891 CD2 TYR H1086 12.312 -9.084 6.299 1.00 15.35 C ATOM 1892 CE1 TYR H1086 11.729 -11.745 6.830 1.00 15.87 C ATOM 1893 CE2 TYR H1086 13.339 -10.022 6.365 1.00 15.90 C ATOM 1894 CZ TYR H1086 13.058 -11.346 6.635 1.00 16.12 C ATOM 1895 OH TYR H1086 14.098 -12.249 6.713 1.00 17.61 O ATOM 1896 HH TYR H1086 13.737 -13.149 6.911 1.00 0.00 H ATOM 1897 H TYR H1086 8.080 -9.520 8.258 1.00 0.00 H ATOM 1898 N PHE H1087 9.023 -5.625 8.196 1.00 16.81 N ATOM 1899 CA PHE H1087 8.203 -4.409 8.142 1.00 16.73 C ATOM 1900 C PHE H1087 8.750 -3.449 7.097 1.00 17.38 C ATOM 1901 O PHE H1087 9.955 -3.234 6.977 1.00 17.60 O ATOM 1902 CB PHE H1087 8.154 -3.671 9.502 1.00 17.09 C ATOM 1903 CG PHE H1087 7.450 -4.416 10.594 1.00 16.77 C ATOM 1904 CD1 PHE H1087 8.127 -5.297 11.432 1.00 17.96 C ATOM 1905 CD2 PHE H1087 6.089 -4.186 10.817 1.00 18.17 C ATOM 1906 CE1 PHE H1087 7.460 -5.969 12.438 1.00 17.42 C ATOM 1907 CE2 PHE H1087 5.426 -4.856 11.808 1.00 17.42 C ATOM 1908 CZ PHE H1087 6.096 -5.739 12.625 1.00 17.00 C ATOM 1909 H PHE H1087 9.985 -5.573 8.588 1.00 0.00 H ATOM 1910 N CYS H1088 7.846 -2.822 6.370 1.00 16.95 N ATOM 1911 CA CYS H1088 8.213 -1.677 5.568 1.00 17.90 C ATOM 1912 C CYS H1088 7.737 -0.389 6.235 1.00 17.96 C ATOM 1913 O CYS H1088 6.776 -0.378 7.014 1.00 18.25 O ATOM 1914 CB CYS H1088 7.682 -1.797 4.146 1.00 18.82 C ATOM 1915 SG CYS H1088 5.898 -1.579 4.009 1.00 21.08 S ATOM 1916 H CYS H1088 6.861 -3.154 6.374 1.00 0.00 H ATOM 1917 N ALA H1089 8.435 0.686 5.907 1.00 17.19 N ATOM 1918 CA ALA H1089 8.046 2.000 6.307 1.00 17.28 C ATOM 1919 C ALA H1089 8.179 2.948 5.105 1.00 17.82 C ATOM 1920 O ALA H1089 9.138 2.888 4.336 1.00 17.49 O ATOM 1921 CB ALA H1089 8.882 2.469 7.488 1.00 17.66 C ATOM 1922 H ALA H1089 9.298 0.570 5.338 1.00 0.00 H ATOM 1923 N LEU H1090 7.161 3.778 4.946 1.00 17.96 N ATOM 1924 CA LEU H1090 7.072 4.781 3.884 1.00 17.97 C ATOM 1925 C LEU H1090 7.016 6.186 4.472 1.00 18.43 C ATOM 1926 O LEU H1090 6.374 6.429 5.497 1.00 18.53 O ATOM 1927 CB LEU H1090 5.852 4.500 3.004 1.00 18.46 C ATOM 1928 CG LEU H1090 5.780 3.110 2.306 1.00 18.43 C ATOM 1929 CD1 LEU H1090 4.560 3.032 1.405 1.00 18.44 C ATOM 1930 CD2 LEU H1090 7.037 2.799 1.506 1.00 18.44 C ATOM 1931 H LEU H1090 6.372 3.713 5.620 1.00 0.00 H ATOM 1932 N TRP H1091 7.705 7.110 3.802 1.00 19.08 N ATOM 1933 CA TRP H1091 7.797 8.502 4.220 1.00 20.78 C ATOM 1934 C TRP H1091 6.850 9.359 3.419 1.00 21.64 C ATOM 1935 O TRP H1091 6.843 9.295 2.174 1.00 22.63 O ATOM 1936 CB TRP H1091 9.234 8.969 3.984 1.00 22.64 C ATOM 1937 CG TRP H1091 9.521 10.420 4.133 1.00 24.09 C ATOM 1938 CD1 TRP H1091 9.649 11.350 3.123 1.00 26.34 C ATOM 1939 CD2 TRP H1091 9.804 11.105 5.347 1.00 25.54 C ATOM 1940 NE1 TRP H1091 9.979 12.577 3.657 1.00 27.36 N ATOM 1941 CE2 TRP H1091 10.084 12.450 5.018 1.00 26.43 C ATOM 1942 CE3 TRP H1091 9.842 10.714 6.687 1.00 24.61 C ATOM 1943 CZ2 TRP H1091 10.392 13.408 5.986 1.00 26.31 C ATOM 1944 CZ3 TRP H1091 10.156 11.667 7.655 1.00 25.79 C ATOM 1945 CH2 TRP H1091 10.426 13.003 7.294 1.00 27.88 C ATOM 1946 HE1 TRP H1091 10.124 13.454 3.117 1.00 0.00 H ATOM 1947 H TRP H1091 8.203 6.822 2.936 1.00 0.00 H ATOM 1948 N TYR H1092 6.087 10.200 4.117 1.00 23.00 N ATOM 1949 CA TYR H1092 5.140 11.099 3.475 1.00 25.18 C ATOM 1950 C TYR H1092 5.435 12.537 3.896 1.00 27.84 C ATOM 1951 O TYR H1092 4.815 13.061 4.838 1.00 28.77 O ATOM 1952 CB TYR H1092 3.710 10.706 3.840 1.00 25.79 C ATOM 1953 CG TYR H1092 3.332 9.321 3.406 1.00 25.41 C ATOM 1954 CD1 TYR H1092 3.579 8.229 4.227 1.00 25.18 C ATOM 1955 CD2 TYR H1092 2.744 9.100 2.180 1.00 26.87 C ATOM 1956 CE1 TYR H1092 3.244 6.950 3.819 1.00 25.15 C ATOM 1957 CE2 TYR H1092 2.390 7.824 1.766 1.00 26.30 C ATOM 1958 CZ TYR H1092 2.648 6.755 2.602 1.00 25.75 C ATOM 1959 OH TYR H1092 2.284 5.489 2.228 1.00 27.80 O ATOM 1960 HH TYR H1092 1.304 5.455 2.092 1.00 0.00 H ATOM 1961 H TYR H1092 6.171 10.214 5.153 1.00 0.00 H ATOM 1962 N SER H1093 6.425 13.123 3.222 1.00 28.53 N ATOM 1963 CA SER H1093 6.849 14.530 3.387 1.00 32.25 C ATOM 1964 C SER H1093 7.438 14.924 4.751 1.00 31.13 C ATOM 1965 O SER H1093 8.432 15.678 4.794 1.00 32.68 O ATOM 1966 CB SER H1093 5.709 15.520 3.025 1.00 33.89 C ATOM 1967 OG SER H1093 5.228 15.343 1.691 1.00 36.05 O ATOM 1968 HG SER H1093 4.506 15.996 1.513 1.00 0.00 H ATOM 1969 H SER H1093 6.939 12.546 2.526 1.00 0.00 H ATOM 1970 N ASN H1094 6.805 14.503 5.849 1.00 28.52 N ATOM 1971 CA ASN H1094 7.283 14.853 7.182 1.00 29.17 C ATOM 1972 C ASN H1094 6.967 13.826 8.273 1.00 27.68 C ATOM 1973 O ASN H1094 7.094 14.119 9.465 1.00 27.23 O ATOM 1974 CB ASN H1094 6.678 16.191 7.579 1.00 30.70 C ATOM 1975 CG ASN H1094 5.158 16.164 7.558 1.00 33.02 C ATOM 1976 OD1 ASN H1094 4.549 15.112 7.348 1.00 33.65 O ATOM 1977 ND2 ASN H1094 4.536 17.327 7.763 1.00 34.84 N ATOM 1978 HD22 ASN H1094 5.090 18.190 7.936 1.00 0.00 H ATOM 1979 HD21 ASN H1094 3.497 17.371 7.749 1.00 0.00 H ATOM 1980 H ASN H1094 5.954 13.913 5.752 1.00 0.00 H ATOM 1981 N HIS H1095 6.552 12.619 7.866 1.00 25.42 N ATOM 1982 CA HIS H1095 6.332 11.531 8.819 1.00 24.12 C ATOM 1983 C HIS H1095 6.433 10.168 8.154 1.00 21.63 C ATOM 1984 O HIS H1095 6.435 10.071 6.948 1.00 23.42 O ATOM 1985 CB HIS H1095 4.979 11.651 9.500 1.00 25.33 C ATOM 1986 CG HIS H1095 3.807 11.501 8.587 1.00 27.32 C ATOM 1987 ND1 HIS H1095 2.933 10.440 8.673 1.00 29.06 N ATOM 1988 CD2 HIS H1095 3.330 12.304 7.606 1.00 28.83 C ATOM 1989 CE1 HIS H1095 1.971 10.591 7.776 1.00 28.69 C ATOM 1990 NE2 HIS H1095 2.193 11.708 7.115 1.00 29.21 N ATOM 1991 H HIS H1095 6.383 12.452 6.853 1.00 0.00 H ATOM 1992 N TRP H1096 6.535 9.139 8.987 1.00 21.22 N ATOM 1993 CA TRP H1096 6.606 7.745 8.527 1.00 19.89 C ATOM 1994 C TRP H1096 5.313 7.004 8.859 1.00 20.10 C ATOM 1995 O TRP H1096 4.739 7.188 9.955 1.00 20.76 O ATOM 1996 CB TRP H1096 7.736 7.014 9.229 1.00 19.51 C ATOM 1997 CG TRP H1096 9.101 7.485 8.868 1.00 18.81 C ATOM 1998 CD1 TRP H1096 9.850 8.394 9.541 1.00 19.14 C ATOM 1999 CD2 TRP H1096 9.888 7.073 7.731 1.00 19.50 C ATOM 2000 NE1 TRP H1096 11.054 8.595 8.898 1.00 19.42 N ATOM 2001 CE2 TRP H1096 11.109 7.794 7.789 1.00 19.08 C ATOM 2002 CE3 TRP H1096 9.679 6.170 6.663 1.00 19.17 C ATOM 2003 CZ2 TRP H1096 12.122 7.626 6.836 1.00 20.05 C ATOM 2004 CZ3 TRP H1096 10.669 6.015 5.715 1.00 19.29 C ATOM 2005 CH2 TRP H1096 11.876 6.737 5.800 1.00 19.04 C ATOM 2006 HE1 TRP H1096 11.800 9.250 9.206 1.00 0.00 H ATOM 2007 H TRP H1096 6.566 9.328 10.009 1.00 0.00 H ATOM 2008 N VAL H1097 4.901 6.113 7.959 1.00 19.05 N ATOM 2009 CA VAL H1097 3.890 5.107 8.282 1.00 19.60 C ATOM 2010 C VAL H1097 4.487 3.725 8.045 1.00 18.79 C ATOM 2011 O VAL H1097 4.971 3.433 6.950 1.00 18.30 O ATOM 2012 CB VAL H1097 2.608 5.297 7.463 1.00 20.27 C ATOM 2013 CG1 VAL H1097 1.549 4.277 7.879 1.00 21.13 C ATOM 2014 CG2 VAL H1097 2.120 6.746 7.580 1.00 20.65 C ATOM 2015 H VAL H1097 5.309 6.133 7.002 1.00 0.00 H ATOM 2016 N PHE H1098 4.473 2.899 9.105 1.00 18.90 N ATOM 2017 CA PHE H1098 4.905 1.515 9.031 1.00 18.48 C ATOM 2018 C PHE H1098 3.737 0.646 8.544 1.00 19.34 C ATOM 2019 O PHE H1098 2.575 0.841 8.950 1.00 18.46 O ATOM 2020 CB PHE H1098 5.438 1.019 10.396 1.00 19.07 C ATOM 2021 CG PHE H1098 6.879 1.386 10.658 1.00 19.10 C ATOM 2022 CD1 PHE H1098 7.223 2.678 11.019 1.00 19.81 C ATOM 2023 CD2 PHE H1098 7.900 0.457 10.494 1.00 19.04 C ATOM 2024 CE1 PHE H1098 8.558 3.043 11.220 1.00 20.44 C ATOM 2025 CE2 PHE H1098 9.238 0.810 10.728 1.00 19.47 C ATOM 2026 CZ PHE H1098 9.558 2.102 11.080 1.00 19.90 C ATOM 2027 H PHE H1098 4.138 3.267 10.018 1.00 0.00 H ATOM 2028 N GLY H1099 4.054 -0.324 7.671 1.00 19.01 N ATOM 2029 CA GLY H1099 3.122 -1.352 7.302 1.00 18.48 C ATOM 2030 C GLY H1099 2.891 -2.330 8.432 1.00 18.43 C ATOM 2031 O GLY H1099 3.562 -2.266 9.456 1.00 18.57 O ATOM 2032 H GLY H1099 5.004 -0.331 7.249 1.00 0.00 H ATOM 2033 N GLY H1100 1.972 -3.267 8.241 1.00 17.08 N ATOM 2034 CA GLY H1100 1.606 -4.207 9.307 1.00 18.25 C ATOM 2035 C GLY H1100 2.557 -5.376 9.494 1.00 18.10 C ATOM 2036 O GLY H1100 2.423 -6.154 10.434 1.00 18.42 O ATOM 2037 H GLY H1100 1.501 -3.337 7.316 1.00 0.00 H ATOM 2038 N GLY H1101 3.502 -5.528 8.577 1.00 17.70 N ATOM 2039 CA GLY H1101 4.483 -6.590 8.649 1.00 16.74 C ATOM 2040 C GLY H1101 4.049 -7.854 7.930 1.00 16.84 C ATOM 2041 O GLY H1101 2.861 -8.154 7.871 1.00 17.61 O ATOM 2042 H GLY H1101 3.540 -4.862 7.779 1.00 0.00 H ATOM 2043 N THR H1102 5.034 -8.602 7.418 1.00 15.34 N ATOM 2044 CA THR H1102 4.827 -9.883 6.799 1.00 16.56 C ATOM 2045 C THR H1102 5.586 -10.913 7.613 1.00 18.06 C ATOM 2046 O THR H1102 6.815 -10.808 7.794 1.00 17.57 O ATOM 2047 CB THR H1102 5.374 -9.866 5.349 1.00 16.51 C ATOM 2048 OG1 THR H1102 4.656 -8.920 4.532 1.00 15.46 O ATOM 2049 CG2 THR H1102 5.338 -11.243 4.719 1.00 17.60 C ATOM 2050 HG1 THR H1102 3.698 -9.169 4.506 1.00 0.00 H ATOM 2051 H THR H1102 6.006 -8.235 7.471 1.00 0.00 H ATOM 2052 N LYS H1103 4.874 -11.937 8.044 1.00 18.32 N ATOM 2053 CA LYS H1103 5.487 -13.101 8.620 1.00 19.29 C ATOM 2054 C LYS H1103 5.995 -14.034 7.519 1.00 17.43 C ATOM 2055 O LYS H1103 5.217 -14.699 6.846 1.00 16.52 O ATOM 2056 CB LYS H1103 4.476 -13.827 9.503 1.00 23.23 C ATOM 2057 CG LYS H1103 4.980 -15.171 10.035 1.00 28.45 C ATOM 2058 CD LYS H1103 5.897 -15.054 11.254 1.00 33.48 C ATOM 2059 CE LYS H1103 7.375 -14.927 10.902 1.00 34.05 C ATOM 2060 NZ LYS H1103 8.119 -16.195 10.959 1.00 35.36 N ATOM 2061 HZ1 LYS H1103 8.066 -16.584 11.922 1.00 0.00 H ATOM 2062 HZ2 LYS H1103 7.702 -16.871 10.288 1.00 0.00 H ATOM 2063 HZ3 LYS H1103 9.113 -16.024 10.707 1.00 0.00 H ATOM 2064 H LYS H1103 3.838 -11.900 7.964 1.00 0.00 H ATOM 2065 N LEU H1104 7.316 -14.104 7.365 1.00 16.19 N ATOM 2066 CA LEU H1104 7.922 -15.032 6.430 1.00 16.31 C ATOM 2067 C LEU H1104 8.336 -16.320 7.125 1.00 17.46 C ATOM 2068 O LEU H1104 9.163 -16.300 8.018 1.00 17.71 O ATOM 2069 CB LEU H1104 9.182 -14.394 5.791 1.00 15.86 C ATOM 2070 CG LEU H1104 9.859 -15.257 4.713 1.00 16.34 C ATOM 2071 CD1 LEU H1104 9.007 -15.350 3.457 1.00 16.97 C ATOM 2072 CD2 LEU H1104 11.249 -14.718 4.363 1.00 16.77 C ATOM 2073 H LEU H1104 7.927 -13.479 7.928 1.00 0.00 H ATOM 2074 N THR H1105 7.786 -17.439 6.652 1.00 18.08 N ATOM 2075 CA THR H1105 8.184 -18.764 7.107 1.00 20.19 C ATOM 2076 C THR H1105 9.116 -19.373 6.070 1.00 20.08 C ATOM 2077 O THR H1105 8.861 -19.267 4.864 1.00 19.53 O ATOM 2078 CB THR H1105 6.920 -19.641 7.314 1.00 23.17 C ATOM 2079 OG1 THR H1105 6.141 -19.058 8.354 1.00 24.99 O ATOM 2080 CG2 THR H1105 7.296 -20.996 7.779 1.00 25.86 C ATOM 2081 HG1 THR H1105 5.880 -18.139 8.094 1.00 0.00 H ATOM 2082 H THR H1105 7.043 -17.362 5.929 1.00 0.00 H ATOM 2083 N VAL H1106 10.209 -19.974 6.540 1.00 19.43 N ATOM 2084 CA VAL H1106 11.150 -20.657 5.671 1.00 18.89 C ATOM 2085 C VAL H1106 11.145 -22.120 6.111 1.00 20.02 C ATOM 2086 O VAL H1106 11.652 -22.483 7.193 1.00 21.99 O ATOM 2087 CB VAL H1106 12.583 -20.059 5.730 1.00 18.67 C ATOM 2088 CG1 VAL H1106 13.504 -20.761 4.730 1.00 18.95 C ATOM 2089 CG2 VAL H1106 12.549 -18.565 5.439 1.00 18.61 C ATOM 2090 H VAL H1106 10.394 -19.953 7.563 1.00 0.00 H ATOM 2091 N LEU H1106A 10.388 -23.039 5.134 1.00 24.72 N ATOM 2092 CA LEU H1106A 10.197 -24.456 5.468 1.00 27.63 C ATOM 2093 C LEU H1106A 11.144 -25.296 4.658 1.00 26.72 C ATOM 2094 O LEU H1106A 11.192 -25.144 3.449 1.00 27.03 O ATOM 2095 CB LEU H1106A 8.790 -24.938 5.109 1.00 29.95 C ATOM 2096 CG LEU H1106A 7.587 -24.531 5.910 1.00 34.85 C ATOM 2097 CD1 LEU H1106A 7.252 -23.140 5.477 1.00 38.14 C ATOM 2098 CD2 LEU H1106A 6.427 -25.459 5.591 1.00 36.07 C ATOM 2099 H LEU H1106A 10.014 -22.658 4.242 1.00 0.00 H ATOM 2100 N GLY H1107 11.844 -26.218 5.319 1.00 27.75 N ATOM 2101 CA GLY H1107 12.597 -27.276 4.623 1.00 29.23 C ATOM 2102 C GLY H1107 14.099 -27.142 4.808 1.00 29.35 C ATOM 2103 O GLY H1107 14.498 -26.291 5.606 1.00 31.36 O ATOM 2104 H GLY H1107 11.859 -26.190 6.359 1.00 0.00 H TER 2105 GLY H1107 HETATM 2106 O HOH 1 0.965 -9.773 -5.420 1.00 28.34 O HETATM 2107 O HOH 2 5.026 -9.725 -5.464 1.00 25.12 O HETATM 2108 O HOH 3 2.449 -13.507 11.564 1.00 46.02 O HETATM 2109 O HOH 4 2.373 -18.046 9.057 1.00 42.56 O HETATM 2110 O HOH 5 8.239 -21.304 -2.538 1.00 27.90 O HETATM 2111 O HOH 6 16.064 -20.015 -8.743 1.00 36.46 O HETATM 2112 O HOH 7 20.461 -11.111 7.916 1.00 24.47 O HETATM 2113 O HOH 8 20.583 -10.725 12.914 1.00 38.89 O HETATM 2114 O HOH 9 6.389 -23.503 10.664 1.00 43.92 O HETATM 2115 O HOH 10 6.701 -7.628 -6.504 1.00 31.54 O HETATM 2116 O HOH 11 24.860 2.171 23.531 1.00 32.67 O HETATM 2117 O HOH 12 21.000 -2.600 23.441 1.00 40.25 O HETATM 2118 O HOH 13 21.153 6.317 29.125 1.00 38.78 O HETATM 2119 O HOH 14 20.196 6.737 31.728 1.00 36.74 O HETATM 2120 O HOH 15 14.215 6.024 34.795 1.00 32.49 O HETATM 2121 O HOH 16 13.127 6.554 35.801 1.00 54.78 O HETATM 2122 O HOH 17 21.645 -1.842 19.189 1.00 33.68 O HETATM 2123 O HOH 18 19.672 4.290 28.218 1.00 30.35 O HETATM 2124 O HOH 19 18.604 -0.732 29.606 1.00 37.79 O HETATM 2125 O HOH 20 16.664 5.964 32.051 1.00 37.25 O HETATM 2126 O HOH 21 9.913 9.253 36.733 1.00 38.35 O HETATM 2127 O HOH 22 14.979 1.025 32.459 1.00 26.38 O HETATM 2128 O HOH 23 15.783 4.425 33.959 1.00 38.10 O HETATM 2129 O HOH 24 11.726 6.610 33.296 1.00 25.17 O HETATM 2130 O HOH 25 13.174 -0.595 32.693 1.00 49.05 O HETATM 2131 O HOH 26 11.097 -0.887 34.700 1.00 44.61 O HETATM 2132 O HOH 27 10.490 -1.587 31.173 1.00 36.01 O HETATM 2133 O HOH 28 6.353 -2.911 31.701 1.00 44.61 O HETATM 2134 O HOH 29 1.168 4.759 38.455 1.00 36.12 O HETATM 2135 O HOH 30 21.640 17.905 7.198 1.00 36.65 O HETATM 2136 O HOH 31 1.267 13.425 32.921 1.00 33.03 O HETATM 2137 O HOH 32 3.589 -9.053 13.517 1.00 35.79 O HETATM 2138 O HOH 33 3.891 11.388 36.765 1.00 27.92 O HETATM 2139 O HOH 34 -2.364 5.881 14.310 1.00100.99 O HETATM 2140 O HOH 35 8.147 12.433 33.842 1.00 36.46 O HETATM 2141 O HOH 36 -0.815 8.470 11.479 1.00 95.21 O HETATM 2142 O HOH 37 10.587 8.683 34.237 1.00 29.28 O HETATM 2143 O HOH 38 15.119 8.111 31.306 1.00 26.16 O HETATM 2144 O HOH 39 16.209 16.099 27.519 1.00 26.40 O HETATM 2145 O HOH 40 17.394 13.861 30.877 1.00 45.57 O HETATM 2146 O HOH 41 31.594 6.372 16.201 1.00 41.11 O HETATM 2147 O HOH 42 11.755 16.918 27.329 1.00 33.82 O HETATM 2148 O HOH 43 29.081 7.464 11.799 1.00 36.96 O HETATM 2149 O HOH 44 26.405 21.585 28.642 1.00 37.99 O HETATM 2150 O HOH 45 22.844 17.149 15.775 1.00 26.95 O HETATM 2151 O HOH 46 24.663 7.681 29.559 1.00 44.43 O HETATM 2152 O HOH 47 21.597 13.729 8.877 1.00 26.47 O HETATM 2153 O HOH 48 28.702 10.285 9.593 1.00 39.08 O HETATM 2154 O HOH 49 32.082 12.272 7.731 1.00 50.77 O HETATM 2155 O HOH 50 18.703 8.940 11.002 1.00 19.90 O HETATM 2156 O HOH 51 19.313 17.370 8.535 1.00 27.29 O HETATM 2157 O HOH 52 -0.475 -3.782 23.782 1.00 46.21 O HETATM 2158 O HOH 53 12.687 10.411 10.385 1.00 19.85 O HETATM 2159 O HOH 54 16.149 8.133 10.426 1.00 18.39 O HETATM 2160 O HOH 55 1.443 1.813 21.690 1.00 27.49 O HETATM 2161 O HOH 56 -1.185 6.668 21.687 1.00 30.25 O HETATM 2162 O HOH 57 5.757 -8.568 15.223 1.00 26.96 O HETATM 2163 O HOH 58 4.212 -5.977 16.043 1.00 35.81 O HETATM 2164 O HOH 59 6.357 -9.781 17.545 1.00 32.16 O HETATM 2165 O HOH 60 2.768 -2.014 12.009 1.00 25.66 O HETATM 2166 O HOH 61 0.054 -2.021 11.656 1.00 43.15 O HETATM 2167 O HOH 62 -1.882 4.788 17.412 1.00 30.05 O HETATM 2168 O HOH 63 2.066 2.349 11.329 1.00 30.06 O HETATM 2169 O HOH 64 0.447 6.429 14.187 1.00 31.34 O HETATM 2170 O HOH 65 3.833 4.247 11.863 1.00 18.41 O HETATM 2171 O HOH 66 2.952 6.680 13.111 1.00 28.38 O HETATM 2172 O HOH 67 10.026 17.160 6.197 1.00 34.03 O HETATM 2173 O HOH 68 12.854 17.198 5.131 1.00 32.65 O HETATM 2174 O HOH 69 28.767 23.899 21.355 1.00 46.47 O HETATM 2175 O HOH 70 14.093 20.272 19.653 1.00 32.39 O HETATM 2176 O HOH 71 22.600 18.369 21.800 1.00 29.12 O HETATM 2177 O HOH 72 7.462 20.080 16.648 1.00 32.32 O HETATM 2178 O HOH 73 9.405 19.177 20.332 1.00 30.91 O HETATM 2179 O HOH 74 4.773 17.425 14.800 1.00 33.24 O HETATM 2180 O HOH 75 -0.926 8.963 14.470 1.00 29.64 O HETATM 2181 O HOH 76 1.005 10.669 12.008 1.00 35.52 O HETATM 2182 O HOH 77 -1.923 12.976 21.432 1.00 39.04 O HETATM 2183 O HOH 78 4.221 17.081 21.085 1.00 39.39 O HETATM 2184 O HOH 79 12.462 14.846 25.902 1.00 22.22 O HETATM 2185 O HOH 80 16.922 18.511 22.060 1.00 28.06 O HETATM 2186 O HOH 81 24.911 18.711 23.397 1.00 33.29 O HETATM 2187 O HOH 82 21.185 15.124 28.758 1.00 28.40 O HETATM 2188 O HOH 83 26.083 18.519 18.055 1.00 39.53 O HETATM 2189 O HOH 84 26.618 19.197 27.531 1.00 29.42 O HETATM 2190 O HOH 85 22.301 8.664 28.288 1.00 40.63 O HETATM 2191 O HOH 86 21.188 10.717 29.916 1.00 29.09 O HETATM 2192 O HOH 87 10.678 13.941 33.547 1.00 37.91 O HETATM 2193 O HOH 88 -6.064 4.299 25.551 1.00 30.91 O HETATM 2194 O HOH 89 -6.049 4.973 28.882 1.00 33.77 O HETATM 2195 O HOH 90 -1.020 -0.281 23.303 1.00 30.75 O HETATM 2196 O HOH 91 -7.296 6.642 23.870 1.00 34.95 O HETATM 2197 O HOH 92 4.375 -4.273 25.895 1.00 44.25 O HETATM 2198 O HOH 93 22.996 3.211 5.631 1.00 42.78 O HETATM 2199 O HOH 94 20.744 8.437 7.488 1.00 26.27 O HETATM 2200 O HOH 95 16.919 1.111 7.369 1.00 29.11 O HETATM 2201 O HOH 96 19.827 -2.913 14.808 1.00 32.25 O HETATM 2202 O HOH 97 21.314 -2.705 9.877 1.00 24.00 O HETATM 2203 O HOH 98 18.621 -4.471 18.803 1.00 42.12 O HETATM 2204 O HOH 99 15.925 -4.782 18.791 1.00 23.71 O HETATM 2205 O HOH 100 15.144 -6.724 22.148 1.00 32.08 O HETATM 2206 O HOH 101 14.385 -0.978 30.207 1.00 36.97 O HETATM 2207 O HOH 102 11.640 -4.331 27.471 1.00 39.99 O HETATM 2208 O HOH 103 11.792 -3.164 29.534 1.00 35.20 O HETATM 2209 O HOH 104 -1.555 3.248 9.218 1.00 42.25 O HETATM 2210 O HOH 105 -2.540 0.246 1.716 1.00 27.57 O HETATM 2211 O HOH 106 -0.253 1.113 8.152 1.00 29.60 O HETATM 2212 O HOH 107 0.094 -4.568 6.384 1.00 20.12 O HETATM 2213 O HOH 108 -1.443 -1.606 8.296 1.00 39.69 O HETATM 2214 O HOH 109 1.327 -5.332 -0.456 1.00 22.00 O HETATM 2215 O HOH 110 -3.351 -3.214 5.667 1.00 39.60 O HETATM 2216 O HOH 111 -2.495 -7.725 3.579 1.00 25.64 O HETATM 2217 O HOH 112 0.360 -7.165 7.288 1.00 27.82 O HETATM 2218 O HOH 113 5.789 -7.089 2.871 1.00 16.02 O HETATM 2219 O HOH 114 1.070 -8.471 -3.018 1.00 28.54 O HETATM 2220 O HOH 115 4.722 -10.654 -2.834 1.00 23.08 O HETATM 2221 O HOH 116 -2.469 -11.801 4.087 1.00129.43 O HETATM 2222 O HOH 117 1.346 -10.553 9.738 1.00 24.92 O HETATM 2223 O HOH 118 4.283 -17.429 7.118 1.00 30.09 O HETATM 2224 O HOH 119 5.772 -21.352 -1.331 1.00 17.91 O HETATM 2225 O HOH 120 9.356 -18.524 -2.488 1.00 22.07 O HETATM 2226 O HOH 121 8.716 -22.835 -1.616 1.00 44.21 O HETATM 2227 O HOH 122 10.483 -27.497 1.707 1.00 44.63 O HETATM 2228 O HOH 123 15.340 -24.083 -3.250 1.00 17.46 O HETATM 2229 O HOH 124 14.919 -26.127 -0.038 1.00 30.11 O HETATM 2230 O HOH 125 15.764 -18.985 -6.203 1.00 21.71 O HETATM 2231 O HOH 126 12.014 -19.382 -6.214 1.00 21.52 O HETATM 2232 O HOH 127 11.089 -25.564 -3.045 1.00 59.80 O HETATM 2233 O HOH 128 9.505 -18.437 -5.195 1.00 40.77 O HETATM 2234 O HOH 129 16.046 -15.606 -8.446 1.00 33.41 O HETATM 2235 O HOH 130 -0.947 -5.582 -5.450 1.00 36.76 O HETATM 2236 O HOH 131 -0.748 -4.929 -1.902 1.00 34.69 O HETATM 2237 O HOH 132 -2.398 1.800 -3.894 1.00 35.78 O HETATM 2238 O HOH 133 0.759 -3.460 -8.618 1.00 42.67 O HETATM 2239 O HOH 134 1.062 1.665 -3.633 1.00 21.08 O HETATM 2240 O HOH 135 2.580 6.495 -2.004 1.00 38.83 O HETATM 2241 O HOH 136 -4.986 7.155 2.325 1.00 45.84 O HETATM 2242 O HOH 137 10.337 4.157 -2.009 1.00 18.64 O HETATM 2243 O HOH 138 10.013 6.568 -8.352 1.00 30.37 O HETATM 2244 O HOH 139 14.152 6.547 -2.084 1.00 20.29 O HETATM 2245 O HOH 140 13.716 10.830 -4.878 1.00 48.53 O HETATM 2246 O HOH 141 11.848 -1.070 -1.457 1.00 16.02 O HETATM 2247 O HOH 142 16.870 -8.863 13.061 1.00 22.02 O HETATM 2248 O HOH 143 19.496 -10.328 10.353 1.00 35.99 O HETATM 2249 O HOH 144 18.339 -13.052 8.375 1.00 19.64 O HETATM 2250 O HOH 145 10.473 -13.074 14.285 1.00 28.38 O HETATM 2251 O HOH 146 10.164 -10.733 18.120 1.00 28.31 O HETATM 2252 O HOH 147 9.172 -12.108 20.370 1.00 35.98 O HETATM 2253 O HOH 148 21.710 -7.510 13.396 1.00 44.66 O HETATM 2254 O HOH 149 18.896 -3.088 -2.757 1.00 19.84 O HETATM 2255 O HOH 150 22.746 -0.998 -1.859 1.00 35.32 O HETATM 2256 O HOH 151 21.074 0.081 -5.080 1.00 47.99 O HETATM 2257 O HOH 152 16.030 -1.114 -6.969 1.00 25.04 O HETATM 2258 O HOH 153 25.603 -2.531 2.924 1.00 40.13 O HETATM 2259 O HOH 154 26.742 -9.822 6.137 1.00 46.01 O HETATM 2260 O HOH 155 27.458 -7.918 4.373 1.00 66.59 O HETATM 2261 O HOH 156 26.835 -9.926 1.446 1.00 29.17 O HETATM 2262 O HOH 157 20.374 -9.972 -4.213 1.00 20.78 O HETATM 2263 O HOH 158 17.773 -10.049 -3.712 1.00 20.19 O HETATM 2264 O HOH 159 23.340 -14.412 1.836 1.00 65.77 O HETATM 2265 O HOH 160 24.495 -13.912 5.738 1.00 27.23 O HETATM 2266 O HOH 161 22.708 -15.031 7.843 1.00 28.82 O HETATM 2267 O HOH 162 13.080 -6.191 -4.389 1.00 23.57 O HETATM 2268 O HOH 163 6.912 0.277 -9.380 1.00 32.83 O HETATM 2269 O HOH 164 2.875 -8.193 -6.225 1.00 34.14 O HETATM 2270 O HOH 165 13.652 -8.357 -7.929 1.00 38.73 O HETATM 2271 O HOH 166 21.344 -16.600 -0.257 1.00 16.33 O HETATM 2272 O HOH 167 16.451 -12.001 -7.698 1.00 34.43 O HETATM 2273 O HOH 168 24.704 -16.817 1.460 1.00 20.86 O HETATM 2274 O HOH 169 24.930 -17.064 5.747 1.00 38.94 O HETATM 2275 O HOH 170 24.945 -16.514 3.037 1.00 62.36 O HETATM 2276 O HOH 171 19.517 -21.975 5.002 1.00 22.14 O HETATM 2277 O HOH 172 13.307 -21.326 9.533 1.00 28.49 O HETATM 2278 O HOH 173 14.119 -23.699 6.815 1.00 28.97 O HETATM 2279 O HOH 174 14.927 -16.900 12.249 1.00 39.93 O HETATM 2280 O HOH 175 24.130 -18.574 7.782 1.00 30.23 O HETATM 2281 O HOH 176 9.653 -23.160 9.755 1.00 39.77 O HETATM 2282 O HOH 177 10.053 15.217 2.451 1.00 34.76 O HETATM 2283 O HOH 178 2.778 8.692 11.125 1.00 39.10 O HETATM 2284 O HOH 179 3.016 -8.880 11.092 1.00 31.01 O HETATM 2285 O HOH 180 16.974 -25.997 6.857 1.00 39.39 O HETATM 2286 O HOH 181 18.587 7.661 -0.431 1.00 41.27 O HETATM 2287 O HOH 182 6.210 -11.365 -7.648 1.00 41.79 O HETATM 2288 O HOH 183 16.909 18.047 5.470 1.00 44.60 O HETATM 2289 O HOH 184 16.766 15.497 4.248 1.00 30.72 O HETATM 2290 O HOH 185 15.160 17.196 2.521 1.00 39.80 O HETATM 2291 O HOH 186 14.736 9.768 8.526 1.00 20.13 O HETATM 2292 O HOH 187 22.731 15.356 7.053 1.00 36.58 O HETATM 2293 O HOH 188 22.956 14.773 0.486 1.00 45.24 O HETATM 2294 N ALA A 189 13.959 13.281 1.180 1.00 0.24 N HETATM 2295 CA ALA A 189 13.796 14.266 2.241 1.00 0.06 C HETATM 2296 C ALA A 189 13.635 13.807 3.701 1.00 0.23 C HETATM 2297 O ALA A 189 13.543 14.684 4.537 1.00 -0.39 O HETATM 2298 N ALA A 189 13.644 12.473 4.026 1.00 -0.25 N HETATM 2299 CA ALA A 189 14.019 12.129 5.419 1.00 0.13 C HETATM 2300 C ALA A 189 15.555 12.198 5.566 1.00 0.20 C HETATM 2301 O ALA A 189 16.228 12.916 4.774 1.00 -0.39 O HETATM 2302 N ALA A 189 16.115 11.506 6.555 1.00 -0.26 N HETATM 2303 CA ALA A 189 17.555 11.511 6.779 1.00 0.14 C HETATM 2304 C ALA A 189 18.235 10.603 5.770 1.00 0.21 C HETATM 2305 O ALA A 189 18.471 9.411 6.036 1.00 -0.39 O HETATM 2306 N ALA A 189 18.570 11.193 4.630 1.00 -0.26 N HETATM 2307 CA ALA A 189 19.236 10.473 3.539 1.00 0.16 C HETATM 2308 C ALA A 189 20.761 10.465 3.655 1.00 0.21 C HETATM 2309 O ALA A 189 21.449 10.080 2.706 1.00 -0.39 O HETATM 2310 N ALA A 189 21.303 10.897 4.787 1.00 -0.26 N HETATM 2311 CA ALA A 189 22.736 10.842 4.971 1.00 0.13 C HETATM 2312 C ALA A 189 23.209 9.397 4.945 1.00 0.21 C HETATM 2313 O ALA A 189 22.648 8.550 5.630 1.00 -0.39 O HETATM 2314 N ALA A 189 24.273 9.102 4.165 1.00 -0.26 N HETATM 2315 CA ALA A 189 24.781 7.723 4.117 1.00 0.10 C HETATM 2316 C ALA A 189 25.239 7.124 5.464 1.00 0.06 C HETATM 2317 O ALA A 189 25.888 7.813 6.261 1.00 -0.57 O HETATM 2318 OXT ALA A 189 24.958 5.953 5.750 1.00 -0.57 O HETATM 2319 CB ALA A 189 25.955 7.814 3.117 1.00 -0.02 C HETATM 2320 CG ALA A 189 26.255 9.261 2.981 1.00 -0.03 C HETATM 2321 CD ALA A 189 24.957 9.967 3.189 1.00 0.04 C HETATM 2322 H44 ALA A 189 25.115 10.977 3.596 1.00 0.05 H HETATM 2323 H45 ALA A 189 24.387 10.035 2.251 1.00 0.05 H HETATM 2324 H42 ALA A 189 26.652 9.477 1.978 1.00 0.03 H HETATM 2325 H43 ALA A 189 26.987 9.573 3.740 1.00 0.03 H HETATM 2326 H40 ALA A 189 25.665 7.389 2.145 1.00 0.03 H HETATM 2327 H41 ALA A 189 26.832 7.275 3.505 1.00 0.03 H HETATM 2328 H39 ALA A 189 23.995 7.066 3.715 1.00 0.07 H HETATM 2329 CB ALA A 189 23.161 11.487 6.284 1.00 -0.01 C HETATM 2330 CG ALA A 189 24.646 11.280 6.567 1.00 -0.02 C HETATM 2331 CD ALA A 189 25.026 11.832 7.918 1.00 0.06 C HETATM 2332 NE ALA A 189 25.124 13.268 7.805 1.00 -0.27 N HETATM 2333 CZ ALA A 189 26.261 13.958 7.761 1.00 0.29 C HETATM 2334 NH1 ALA A 189 27.443 13.355 7.869 1.00 -0.28 N HETATM 2335 H35 ALA A 189 28.310 13.910 7.832 1.00 0.26 H HETATM 2336 H36 ALA A 189 27.491 12.333 7.989 1.00 0.26 H HETATM 2337 NH2 ALA A 189 26.199 15.279 7.632 1.00 -0.28 N HETATM 2338 H37 ALA A 189 25.285 15.746 7.548 1.00 0.26 H HETATM 2339 H38 ALA A 189 27.065 15.836 7.616 1.00 0.26 H HETATM 2340 H34 ALA A 189 24.244 13.801 7.754 1.00 0.26 H HETATM 2341 H32 ALA A 189 25.995 11.416 8.232 1.00 0.07 H HETATM 2342 H33 ALA A 189 24.256 11.568 8.658 1.00 0.07 H HETATM 2343 H30 ALA A 189 25.234 11.793 5.792 1.00 0.03 H HETATM 2344 H31 ALA A 189 24.869 10.203 6.544 1.00 0.03 H HETATM 2345 H28 ALA A 189 22.578 11.042 7.104 1.00 0.03 H HETATM 2346 H29 ALA A 189 22.956 12.566 6.232 1.00 0.03 H HETATM 2347 H27 ALA A 189 23.213 11.387 4.143 1.00 0.08 H HETATM 2348 H26 ALA A 189 20.720 11.261 5.513 1.00 0.19 H HETATM 2349 CB ALA A 189 18.845 11.089 2.199 1.00 0.09 C HETATM 2350 OG1 ALA A 189 18.905 12.531 2.278 1.00 -0.39 O HETATM 2351 H22 ALA A 189 18.660 12.903 1.439 1.00 0.21 H HETATM 2352 CG2 ALA A 189 17.419 10.678 1.837 1.00 -0.03 C HETATM 2353 H23 ALA A 189 17.143 11.125 0.871 1.00 0.03 H HETATM 2354 H24 ALA A 189 16.727 11.031 2.615 1.00 0.03 H HETATM 2355 H25 ALA A 189 17.360 9.582 1.764 1.00 0.03 H HETATM 2356 H21 ALA A 189 19.538 10.735 1.421 1.00 0.06 H HETATM 2357 H20 ALA A 189 18.888 9.430 3.563 1.00 0.08 H HETATM 2358 H19 ALA A 189 18.361 12.164 4.510 1.00 0.19 H HETATM 2359 CB ALA A 189 17.933 11.047 8.171 1.00 0.04 C HETATM 2360 CG ALA A 189 19.396 11.329 8.495 1.00 0.04 C HETATM 2361 OD1 ALA A 189 20.091 11.889 7.614 1.00 -0.57 O HETATM 2362 OD2 ALA A 189 19.844 11.005 9.610 1.00 -0.57 O HETATM 2363 H17 ALA A 189 17.757 9.964 8.243 1.00 0.05 H HETATM 2364 H18 ALA A 189 17.301 11.571 8.903 1.00 0.05 H HETATM 2365 H16 ALA A 189 17.921 12.539 6.642 1.00 0.08 H HETATM 2366 H15 ALA A 189 15.531 10.967 7.162 1.00 0.19 H HETATM 2367 CB ALA A 189 13.463 10.706 5.598 1.00 -0.01 C HETATM 2368 CG ALA A 189 13.579 10.118 4.234 1.00 -0.03 C HETATM 2369 CD ALA A 189 13.257 11.263 3.279 1.00 0.04 C HETATM 2370 H13 ALA A 189 13.841 11.173 2.351 1.00 0.05 H HETATM 2371 H14 ALA A 189 12.184 11.280 3.037 1.00 0.05 H HETATM 2372 H11 ALA A 189 12.861 9.295 4.106 1.00 0.03 H HETATM 2373 H12 ALA A 189 14.599 9.745 4.060 1.00 0.03 H HETATM 2374 H9 ALA A 189 12.414 10.732 5.928 1.00 0.03 H HETATM 2375 H10 ALA A 189 14.062 10.137 6.324 1.00 0.03 H HETATM 2376 H8 ALA A 189 13.553 12.818 6.139 1.00 0.08 H HETATM 2377 CB ALA A 189 12.693 15.239 1.882 1.00 -0.00 C HETATM 2378 H5 ALA A 189 12.579 15.977 2.689 1.00 0.03 H HETATM 2379 H6 ALA A 189 11.749 14.691 1.750 1.00 0.03 H HETATM 2380 H7 ALA A 189 12.950 15.756 0.946 1.00 0.03 H HETATM 2381 H4 ALA A 189 14.735 14.839 2.233 1.00 0.11 H HETATM 2382 H1 ALA A 189 14.050 13.753 0.294 1.00 0.20 H HETATM 2383 H2 ALA A 189 13.153 12.676 1.157 1.00 0.20 H HETATM 2384 H3 ALA A 189 14.787 12.733 1.355 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 181 180 957 CONECT 957 181 956 CONECT 1120 1121 1128 1129 1130 CONECT 1128 1120 CONECT 1129 1120 CONECT 1130 1120 CONECT 1298 1297 1915 CONECT 1915 1298 1914 CONECT 2294 2295 2382 2383 2384 CONECT 2295 2294 2296 2377 2381 CONECT 2296 2295 2297 2298 CONECT 2297 2296 CONECT 2298 2296 2299 2369 CONECT 2299 2298 2300 2367 2376 CONECT 2300 2299 2301 2302 CONECT 2301 2300 CONECT 2302 2300 2303 2366 CONECT 2303 2302 2304 2359 2365 CONECT 2304 2303 2305 2306 CONECT 2305 2304 CONECT 2306 2304 2307 2358 CONECT 2307 2306 2308 2349 2357 CONECT 2308 2307 2309 2310 CONECT 2309 2308 CONECT 2310 2308 2311 2348 CONECT 2311 2310 2312 2329 2347 CONECT 2312 2311 2313 2314 CONECT 2313 2312 CONECT 2314 2312 2315 2321 CONECT 2315 2314 2316 2319 2328 CONECT 2316 2315 2317 2318 CONECT 2317 2316 CONECT 2318 2316 CONECT 2319 2315 2320 2326 2327 CONECT 2320 2319 2321 2324 2325 CONECT 2321 2314 2320 2322 2323 CONECT 2322 2321 CONECT 2323 2321 CONECT 2324 2320 CONECT 2325 2320 CONECT 2326 2319 CONECT 2327 2319 CONECT 2328 2315 CONECT 2329 2311 2330 2345 2346 CONECT 2330 2329 2331 2343 2344 CONECT 2331 2330 2332 2341 2342 CONECT 2332 2331 2333 2340 CONECT 2333 2332 2334 2337 CONECT 2334 2333 2335 2336 CONECT 2335 2334 CONECT 2336 2334 CONECT 2337 2333 2338 2339 CONECT 2338 2337 CONECT 2339 2337 CONECT 2340 2332 CONECT 2341 2331 CONECT 2342 2331 CONECT 2343 2330 CONECT 2344 2330 CONECT 2345 2329 CONECT 2346 2329 CONECT 2347 2311 CONECT 2348 2310 CONECT 2349 2307 2350 2352 2356 CONECT 2350 2349 2351 CONECT 2351 2350 CONECT 2352 2349 2353 2354 2355 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2352 CONECT 2356 2349 CONECT 2357 2307 CONECT 2358 2306 CONECT 2359 2303 2360 2363 2364 CONECT 2360 2359 2361 2362 CONECT 2361 2360 CONECT 2362 2360 CONECT 2363 2359 CONECT 2364 2359 CONECT 2365 2303 CONECT 2366 2302 CONECT 2367 2299 2368 2374 2375 CONECT 2368 2367 2369 2372 2373 CONECT 2369 2298 2368 2370 2371 CONECT 2370 2369 CONECT 2371 2369 CONECT 2372 2368 CONECT 2373 2368 CONECT 2374 2367 CONECT 2375 2367 CONECT 2376 2299 CONECT 2377 2295 2378 2379 2380 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2377 CONECT 2381 2295 CONECT 2382 2294 CONECT 2383 2294 CONECT 2384 2294 MASTER 0 0 0 0 0 0 0 0 2382 2 103 18 END
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3u51
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3zmt
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3zmv
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PDBbind
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RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
6-mer
5lso
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PDBbind
6-mer
5tpc
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PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
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PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
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PDBbind
6-mer
7hvp
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PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
6a30
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5zw6
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5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
5a2k
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
scFv-SM3
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=0.45uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 9830-9834
Ligand Properties
Formula
C
2
7
H
4
7
N
9
O
1
0
Molecular Weight
657.716
Exact Mass
657.345
No. of atoms
93
No. of bonds
94
Polar Surface Area
316.4
LOGP Value
-1.91 (
Computed with XLOGP3
)
-4.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 2
Canonical SMILES
OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCC[NH+]=C(N)N)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C27H45N9O10/c1-13(28)24(43)35-10-4-7-17(35)22(41)33-16(12-19(38)39)21(40)34-20(14(2)37)23(42)32-15(6-3-9-31-27(29)30)25(44)36-11-5-8-18(36)26(45)46/h13-18,20,37H,3-12,28H2,1-2H3,(H,32,42)(H,33,41)(H,34,40)(H,38,39)(H,45,46)(H4,29,30,31)/p+2/t13-,14+,15-,16-,17-,18-,20-/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):
P01727
P01801
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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