Browse entries in the PDBbind-CN Database
HEADER 1PW6_COMPLEX COMPND 1PW6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 129 SER SER THR LYS LYS THR GLN LEU GLN LEU GLU HIS LEU SEQRES 2 B 129 LEU LEU ASP LEU GLN MET ILE LEU ASN GLY ILE ASN ASN SEQRES 3 B 129 TYR LYS ASN PRO LYS LEU THR ARG MET LEU THR PHE LYS SEQRES 4 B 129 PHE TYR MET PRO LYS LYS ALA THR GLU LEU LYS HIS LEU SEQRES 5 B 129 GLN CYS LEU GLU GLU GLU LEU LYS PRO LEU GLU GLU VAL SEQRES 6 B 129 LEU ASN LEU ALA GLN SER LYS ASN PHE HIS LEU ARG PRO SEQRES 7 B 129 ARG ASP LEU ILE SER ASN ILE ASN VAL ILE VAL LEU GLU SEQRES 8 B 129 LEU LYS GLY SER GLU THR THR PHE MET CYS GLU TYR ALA SEQRES 9 B 129 ASP GLU THR ALA THR ILE VAL GLU PHE LEU ASN ARG TRP SEQRES 10 B 129 ILE THR PHE CYS GLN SER ILE ILE SER THR LEU THR HET NON A 130 70 SSBOND 1 CYS B 58 CYS B 105 ATOM 1 N SER B 5 124.801 2.699 -7.366 1.00 41.47 N ATOM 2 CA SER B 5 124.629 3.658 -6.235 1.00 40.46 C ATOM 3 C SER B 5 123.686 3.095 -5.170 1.00 38.58 C ATOM 4 O SER B 5 122.673 2.473 -5.500 1.00 39.19 O ATOM 5 CB SER B 5 124.109 5.002 -6.754 1.00 40.10 C ATOM 6 OG SER B 5 124.104 5.985 -5.733 1.00 39.85 O ATOM 7 HA SER B 5 125.603 3.812 -5.771 1.00 0.00 H ATOM 8 HB2 SER B 5 123.092 4.870 -7.124 1.00 0.00 H ATOM 9 HB3 SER B 5 124.750 5.340 -7.568 1.00 0.00 H ATOM 10 HG SER B 5 123.774 6.813 -6.089 1.00 0.00 H ATOM 11 HN3 SER B 5 123.895 2.517 -7.797 1.00 0.00 H ATOM 12 HN2 SER B 5 125.192 1.826 -7.013 1.00 0.00 H ATOM 13 HN1 SER B 5 125.433 3.101 -8.058 1.00 0.00 H ATOM 14 N SER B 6 124.028 3.315 -3.900 1.00 35.99 N ATOM 15 CA SER B 6 123.198 2.877 -2.771 1.00 34.00 C ATOM 16 C SER B 6 121.932 3.718 -2.672 1.00 31.88 C ATOM 17 O SER B 6 120.958 3.335 -2.021 1.00 31.26 O ATOM 18 CB SER B 6 123.972 2.962 -1.451 1.00 34.57 C ATOM 19 OG SER B 6 125.027 3.923 -1.524 1.00 35.90 O ATOM 20 HA SER B 6 122.924 1.838 -2.951 1.00 0.00 H ATOM 21 HB2 SER B 6 124.398 1.984 -1.226 1.00 0.00 H ATOM 22 HB3 SER B 6 123.285 3.249 -0.655 1.00 0.00 H ATOM 23 HG SER B 6 125.491 3.952 -0.684 1.00 0.00 H ATOM 24 H SER B 6 124.900 3.807 -3.705 1.00 0.00 H ATOM 25 N THR B 7 121.961 4.864 -3.340 1.00 29.97 N ATOM 26 CA THR B 7 120.861 5.810 -3.342 1.00 28.30 C ATOM 27 C THR B 7 119.692 5.368 -4.244 1.00 28.27 C ATOM 28 O THR B 7 118.559 5.822 -4.063 1.00 26.43 O ATOM 29 CB THR B 7 121.413 7.201 -3.735 1.00 28.08 C ATOM 30 OG1 THR B 7 121.685 7.954 -2.547 1.00 28.25 O ATOM 31 CG2 THR B 7 120.373 8.030 -4.419 1.00 29.23 C ATOM 32 HA THR B 7 120.435 5.858 -2.340 1.00 0.00 H ATOM 33 HB THR B 7 122.283 7.019 -4.366 1.00 0.00 H ATOM 34 HG1 THR B 7 122.028 8.818 -2.788 1.00 0.00 H ATOM 35 HG23 THR B 7 120.082 7.548 -5.353 1.00 0.00 H ATOM 36 HG21 THR B 7 119.502 8.125 -3.771 1.00 0.00 H ATOM 37 HG22 THR B 7 120.780 9.019 -4.630 1.00 0.00 H ATOM 38 H THR B 7 122.797 5.091 -3.878 1.00 0.00 H ATOM 39 N LYS B 8 119.968 4.472 -5.192 1.00 29.40 N ATOM 40 CA LYS B 8 118.976 4.036 -6.183 1.00 30.39 C ATOM 41 C LYS B 8 117.610 3.683 -5.585 1.00 30.01 C ATOM 42 O LYS B 8 116.587 4.207 -6.032 1.00 28.39 O ATOM 43 CB LYS B 8 119.518 2.868 -7.016 1.00 32.43 C ATOM 44 CG LYS B 8 118.678 2.515 -8.239 1.00 33.89 C ATOM 45 CD LYS B 8 118.473 1.003 -8.336 1.00 37.00 C ATOM 46 CE LYS B 8 117.639 0.617 -9.553 1.00 39.16 C ATOM 47 NZ LYS B 8 118.468 0.217 -10.724 1.00 40.57 N ATOM 48 HA LYS B 8 118.806 4.897 -6.829 1.00 0.00 H ATOM 49 HB2 LYS B 8 120.520 3.129 -7.356 1.00 0.00 H ATOM 50 HB3 LYS B 8 119.571 1.988 -6.374 1.00 0.00 H ATOM 51 HG2 LYS B 8 117.707 3.004 -8.160 1.00 0.00 H ATOM 52 HG3 LYS B 8 119.187 2.866 -9.137 1.00 0.00 H ATOM 53 HD2 LYS B 8 119.447 0.519 -8.409 1.00 0.00 H ATOM 54 HD3 LYS B 8 117.964 0.658 -7.436 1.00 0.00 H ATOM 55 HE2 LYS B 8 117.024 1.471 -9.838 1.00 0.00 H ATOM 56 HE3 LYS B 8 116.994 -0.219 -9.282 1.00 0.00 H ATOM 57 HZ1 LYS B 8 119.070 0.995 -10.994 1.00 0.00 H ATOM 58 HZ2 LYS B 8 119.042 -0.588 -10.473 1.00 0.00 H ATOM 59 HZ3 LYS B 8 117.857 -0.029 -11.503 1.00 0.00 H ATOM 60 H LYS B 8 120.906 4.073 -5.230 1.00 0.00 H ATOM 61 N LYS B 9 117.599 2.807 -4.578 1.00 31.21 N ATOM 62 CA LYS B 9 116.352 2.342 -3.958 1.00 32.19 C ATOM 63 C LYS B 9 115.524 3.491 -3.375 1.00 29.31 C ATOM 64 O LYS B 9 114.290 3.453 -3.397 1.00 28.40 O ATOM 65 CB LYS B 9 116.630 1.280 -2.887 1.00 35.92 C ATOM 66 CG LYS B 9 115.461 0.325 -2.638 1.00 40.02 C ATOM 67 CD LYS B 9 115.875 -0.864 -1.776 1.00 44.50 C ATOM 68 CE LYS B 9 114.808 -1.205 -0.740 1.00 46.56 C ATOM 69 NZ LYS B 9 115.341 -1.132 0.655 1.00 47.88 N ATOM 70 HA LYS B 9 115.759 1.889 -4.753 1.00 0.00 H ATOM 71 HB2 LYS B 9 117.492 0.692 -3.203 1.00 0.00 H ATOM 72 HB3 LYS B 9 116.862 1.789 -1.952 1.00 0.00 H ATOM 73 HG2 LYS B 9 114.663 0.868 -2.131 1.00 0.00 H ATOM 74 HG3 LYS B 9 115.096 -0.044 -3.597 1.00 0.00 H ATOM 75 HD2 LYS B 9 116.033 -1.730 -2.419 1.00 0.00 H ATOM 76 HD3 LYS B 9 116.804 -0.621 -1.261 1.00 0.00 H ATOM 77 HE2 LYS B 9 114.446 -2.216 -0.927 1.00 0.00 H ATOM 78 HE3 LYS B 9 113.982 -0.500 -0.839 1.00 0.00 H ATOM 79 HZ1 LYS B 9 116.110 -1.794 0.759 1.00 0.00 H ATOM 80 HZ2 LYS B 9 115.676 -0.187 0.841 1.00 0.00 H ATOM 81 HZ3 LYS B 9 114.599 -1.366 1.314 1.00 0.00 H ATOM 82 H LYS B 9 118.487 2.448 -4.227 1.00 0.00 H ATOM 83 N THR B 10 116.220 4.505 -2.863 1.00 27.29 N ATOM 84 CA THR B 10 115.599 5.712 -2.328 1.00 23.95 C ATOM 85 C THR B 10 115.087 6.592 -3.461 1.00 24.82 C ATOM 86 O THR B 10 114.008 7.180 -3.359 1.00 27.61 O ATOM 87 CB THR B 10 116.614 6.488 -1.471 1.00 23.22 C ATOM 88 OG1 THR B 10 117.245 5.589 -0.548 1.00 24.99 O ATOM 89 CG2 THR B 10 115.915 7.499 -0.574 1.00 21.09 C ATOM 90 HA THR B 10 114.753 5.424 -1.703 1.00 0.00 H ATOM 91 HB THR B 10 117.309 6.965 -2.162 1.00 0.00 H ATOM 92 HG1 THR B 10 117.878 6.073 -0.013 1.00 0.00 H ATOM 93 HG23 THR B 10 115.399 8.235 -1.191 1.00 0.00 H ATOM 94 HG21 THR B 10 115.193 6.983 0.059 1.00 0.00 H ATOM 95 HG22 THR B 10 116.654 8.001 0.051 1.00 0.00 H ATOM 96 H THR B 10 117.237 4.434 -2.844 1.00 0.00 H ATOM 97 N GLN B 11 115.867 6.673 -4.538 1.00 24.50 N ATOM 98 CA GLN B 11 115.503 7.452 -5.718 1.00 23.85 C ATOM 99 C GLN B 11 114.173 6.965 -6.273 1.00 22.34 C ATOM 100 O GLN B 11 113.257 7.759 -6.496 1.00 22.70 O ATOM 101 CB GLN B 11 116.583 7.325 -6.792 1.00 27.10 C ATOM 102 CG GLN B 11 117.691 8.365 -6.731 1.00 28.23 C ATOM 103 CD GLN B 11 118.721 8.193 -7.841 1.00 30.91 C ATOM 104 OE1 GLN B 11 118.415 7.654 -8.905 1.00 33.87 O ATOM 105 NE2 GLN B 11 119.940 8.655 -7.597 1.00 31.26 N ATOM 106 HA GLN B 11 115.412 8.499 -5.428 1.00 0.00 H ATOM 107 HB2 GLN B 11 117.040 6.340 -6.694 1.00 0.00 H ATOM 108 HB3 GLN B 11 116.100 7.405 -7.766 1.00 0.00 H ATOM 109 HG2 GLN B 11 117.245 9.356 -6.819 1.00 0.00 H ATOM 110 HG3 GLN B 11 118.197 8.280 -5.769 1.00 0.00 H ATOM 111 HE22 GLN B 11 120.149 9.095 -6.701 1.00 0.00 H ATOM 112 HE21 GLN B 11 120.669 8.571 -8.306 1.00 0.00 H ATOM 113 H GLN B 11 116.755 6.170 -4.538 1.00 0.00 H ATOM 114 N LEU B 12 114.079 5.653 -6.479 1.00 21.85 N ATOM 115 CA LEU B 12 112.877 5.014 -7.008 1.00 20.03 C ATOM 116 C LEU B 12 111.681 5.265 -6.103 1.00 20.31 C ATOM 117 O LEU B 12 110.591 5.605 -6.581 1.00 21.13 O ATOM 118 CB LEU B 12 113.096 3.509 -7.183 1.00 17.60 C ATOM 119 CG LEU B 12 114.173 3.051 -8.170 1.00 18.39 C ATOM 120 CD1 LEU B 12 114.477 1.574 -7.974 1.00 19.61 C ATOM 121 CD2 LEU B 12 113.769 3.328 -9.612 1.00 19.03 C ATOM 122 HA LEU B 12 112.669 5.454 -7.983 1.00 0.00 H ATOM 123 HB2 LEU B 12 113.357 3.103 -6.206 1.00 0.00 H ATOM 124 HB3 LEU B 12 112.150 3.079 -7.512 1.00 0.00 H ATOM 125 HG LEU B 12 115.076 3.627 -7.967 1.00 0.00 H ATOM 126 HD21 LEU B 12 112.846 2.794 -9.838 1.00 0.00 H ATOM 127 HD22 LEU B 12 113.613 4.399 -9.745 1.00 0.00 H ATOM 128 HD23 LEU B 12 114.560 2.989 -10.281 1.00 0.00 H ATOM 129 HD11 LEU B 12 114.833 1.409 -6.957 1.00 0.00 H ATOM 130 HD12 LEU B 12 113.570 0.992 -8.141 1.00 0.00 H ATOM 131 HD13 LEU B 12 115.245 1.265 -8.684 1.00 0.00 H ATOM 132 H LEU B 12 114.884 5.067 -6.257 1.00 0.00 H ATOM 133 N GLN B 13 111.900 5.106 -4.798 1.00 18.68 N ATOM 134 CA GLN B 13 110.861 5.335 -3.798 1.00 18.11 C ATOM 135 C GLN B 13 110.382 6.780 -3.804 1.00 17.34 C ATOM 136 O GLN B 13 109.189 7.041 -3.646 1.00 17.51 O ATOM 137 CB GLN B 13 111.356 4.948 -2.408 1.00 17.89 C ATOM 138 CG GLN B 13 111.208 3.470 -2.102 1.00 19.27 C ATOM 139 CD GLN B 13 111.976 3.044 -0.869 1.00 19.21 C ATOM 140 OE1 GLN B 13 112.656 3.853 -0.238 1.00 20.23 O ATOM 141 NE2 GLN B 13 111.870 1.772 -0.521 1.00 21.64 N ATOM 142 HA GLN B 13 110.013 4.702 -4.059 1.00 0.00 H ATOM 143 HB2 GLN B 13 112.411 5.212 -2.331 1.00 0.00 H ATOM 144 HB3 GLN B 13 110.787 5.512 -1.669 1.00 0.00 H ATOM 145 HG2 GLN B 13 110.152 3.251 -1.947 1.00 0.00 H ATOM 146 HG3 GLN B 13 111.575 2.899 -2.955 1.00 0.00 H ATOM 147 HE22 GLN B 13 111.294 1.138 -1.075 1.00 0.00 H ATOM 148 HE21 GLN B 13 112.364 1.425 0.301 1.00 0.00 H ATOM 149 H GLN B 13 112.826 4.814 -4.487 1.00 0.00 H ATOM 150 N LEU B 14 111.314 7.712 -3.994 1.00 16.09 N ATOM 151 CA LEU B 14 110.962 9.120 -4.122 1.00 17.84 C ATOM 152 C LEU B 14 110.210 9.405 -5.428 1.00 20.57 C ATOM 153 O LEU B 14 109.350 10.288 -5.467 1.00 21.81 O ATOM 154 CB LEU B 14 112.200 10.010 -3.997 1.00 16.68 C ATOM 155 CG LEU B 14 112.660 10.364 -2.582 1.00 15.13 C ATOM 156 CD1 LEU B 14 114.150 10.630 -2.587 1.00 13.90 C ATOM 157 CD2 LEU B 14 111.892 11.563 -2.024 1.00 13.21 C ATOM 158 HA LEU B 14 110.287 9.359 -3.301 1.00 0.00 H ATOM 159 HB2 LEU B 14 113.025 9.498 -4.493 1.00 0.00 H ATOM 160 HB3 LEU B 14 111.988 10.944 -4.518 1.00 0.00 H ATOM 161 HG LEU B 14 112.449 9.518 -1.927 1.00 0.00 H ATOM 162 HD21 LEU B 14 112.055 12.428 -2.666 1.00 0.00 H ATOM 163 HD22 LEU B 14 110.828 11.328 -1.992 1.00 0.00 H ATOM 164 HD23 LEU B 14 112.247 11.784 -1.017 1.00 0.00 H ATOM 165 HD11 LEU B 14 114.676 9.738 -2.928 1.00 0.00 H ATOM 166 HD12 LEU B 14 114.367 11.461 -3.259 1.00 0.00 H ATOM 167 HD13 LEU B 14 114.476 10.882 -1.578 1.00 0.00 H ATOM 168 H LEU B 14 112.294 7.435 -4.051 1.00 0.00 H ATOM 169 N GLU B 15 110.527 8.653 -6.482 1.00 21.92 N ATOM 170 CA GLU B 15 109.802 8.756 -7.748 1.00 23.28 C ATOM 171 C GLU B 15 108.383 8.190 -7.646 1.00 24.91 C ATOM 172 O GLU B 15 107.449 8.756 -8.217 1.00 27.20 O ATOM 173 CB GLU B 15 110.579 8.084 -8.887 1.00 24.07 C ATOM 174 CG GLU B 15 109.998 8.311 -10.281 1.00 25.37 C ATOM 175 CD GLU B 15 110.211 9.721 -10.826 1.00 26.21 C ATOM 176 OE1 GLU B 15 110.961 10.516 -10.217 1.00 24.62 O ATOM 177 OE2 GLU B 15 109.624 10.040 -11.884 1.00 27.70 O ATOM 178 HA GLU B 15 109.711 9.818 -7.977 1.00 0.00 H ATOM 179 HB2 GLU B 15 111.598 8.471 -8.877 1.00 0.00 H ATOM 180 HB3 GLU B 15 110.598 7.011 -8.698 1.00 0.00 H ATOM 181 HG2 GLU B 15 110.467 7.605 -10.966 1.00 0.00 H ATOM 182 HG3 GLU B 15 108.926 8.118 -10.240 1.00 0.00 H ATOM 183 H GLU B 15 111.296 7.988 -6.403 1.00 0.00 H ATOM 184 N HIS B 16 108.227 7.081 -6.921 1.00 25.38 N ATOM 185 CA HIS B 16 106.913 6.466 -6.716 1.00 25.97 C ATOM 186 C HIS B 16 105.974 7.404 -5.953 1.00 24.98 C ATOM 187 O HIS B 16 104.815 7.577 -6.342 1.00 24.71 O ATOM 188 CB HIS B 16 107.037 5.115 -6.000 1.00 28.08 C ATOM 189 CG HIS B 16 105.752 4.345 -5.928 1.00 31.54 C ATOM 190 ND1 HIS B 16 105.559 3.154 -6.596 1.00 34.15 N ATOM 191 CD2 HIS B 16 104.598 4.591 -5.261 1.00 33.20 C ATOM 192 CE1 HIS B 16 104.341 2.703 -6.349 1.00 35.04 C ATOM 193 NE2 HIS B 16 103.737 3.557 -5.541 1.00 34.02 N ATOM 194 HA HIS B 16 106.479 6.285 -7.699 1.00 0.00 H ATOM 195 HB2 HIS B 16 107.771 4.510 -6.533 1.00 0.00 H ATOM 196 HB3 HIS B 16 107.386 5.296 -4.983 1.00 0.00 H ATOM 197 HD2 HIS B 16 104.391 5.449 -4.622 1.00 0.00 H ATOM 198 HE1 HIS B 16 103.909 1.784 -6.744 1.00 0.00 H ATOM 199 H HIS B 16 109.047 6.648 -6.497 1.00 0.00 H ATOM 200 N LEU B 17 106.480 8.007 -4.875 1.00 22.69 N ATOM 201 CA LEU B 17 105.709 8.973 -4.094 1.00 19.66 C ATOM 202 C LEU B 17 105.344 10.185 -4.946 1.00 20.69 C ATOM 203 O LEU B 17 104.207 10.663 -4.902 1.00 21.82 O ATOM 204 CB LEU B 17 106.476 9.408 -2.841 1.00 15.53 C ATOM 205 CG LEU B 17 105.812 10.393 -1.866 1.00 11.96 C ATOM 206 CD1 LEU B 17 104.566 9.807 -1.227 1.00 11.29 C ATOM 207 CD2 LEU B 17 106.797 10.826 -0.794 1.00 11.17 C ATOM 208 HA LEU B 17 104.788 8.486 -3.773 1.00 0.00 H ATOM 209 HB2 LEU B 17 106.705 8.504 -2.276 1.00 0.00 H ATOM 210 HB3 LEU B 17 107.404 9.869 -3.178 1.00 0.00 H ATOM 211 HG LEU B 17 105.507 11.265 -2.445 1.00 0.00 H ATOM 212 HD21 LEU B 17 107.136 9.951 -0.239 1.00 0.00 H ATOM 213 HD22 LEU B 17 107.652 11.313 -1.263 1.00 0.00 H ATOM 214 HD23 LEU B 17 106.308 11.523 -0.113 1.00 0.00 H ATOM 215 HD11 LEU B 17 103.844 9.557 -2.004 1.00 0.00 H ATOM 216 HD12 LEU B 17 104.832 8.906 -0.674 1.00 0.00 H ATOM 217 HD13 LEU B 17 104.130 10.538 -0.546 1.00 0.00 H ATOM 218 H LEU B 17 107.434 7.787 -4.587 1.00 0.00 H ATOM 219 N LEU B 18 106.316 10.662 -5.723 1.00 20.27 N ATOM 220 CA LEU B 18 106.117 11.775 -6.643 1.00 20.04 C ATOM 221 C LEU B 18 105.006 11.479 -7.648 1.00 21.77 C ATOM 222 O LEU B 18 104.148 12.327 -7.897 1.00 23.03 O ATOM 223 CB LEU B 18 107.419 12.101 -7.375 1.00 19.43 C ATOM 224 CG LEU B 18 107.368 13.072 -8.553 1.00 20.17 C ATOM 225 CD1 LEU B 18 107.045 14.472 -8.080 1.00 20.30 C ATOM 226 CD2 LEU B 18 108.684 13.057 -9.293 1.00 21.73 C ATOM 227 HA LEU B 18 105.814 12.641 -6.054 1.00 0.00 H ATOM 228 HB2 LEU B 18 108.105 12.522 -6.640 1.00 0.00 H ATOM 229 HB3 LEU B 18 107.822 11.160 -7.750 1.00 0.00 H ATOM 230 HG LEU B 18 106.578 12.752 -9.232 1.00 0.00 H ATOM 231 HD21 LEU B 18 109.484 13.356 -8.616 1.00 0.00 H ATOM 232 HD22 LEU B 18 108.879 12.051 -9.665 1.00 0.00 H ATOM 233 HD23 LEU B 18 108.636 13.753 -10.131 1.00 0.00 H ATOM 234 HD11 LEU B 18 106.076 14.471 -7.582 1.00 0.00 H ATOM 235 HD12 LEU B 18 107.813 14.805 -7.382 1.00 0.00 H ATOM 236 HD13 LEU B 18 107.014 15.145 -8.937 1.00 0.00 H ATOM 237 H LEU B 18 107.239 10.230 -5.672 1.00 0.00 H ATOM 238 N LEU B 19 105.028 10.275 -8.213 1.00 21.48 N ATOM 239 CA LEU B 19 104.007 9.851 -9.164 1.00 21.61 C ATOM 240 C LEU B 19 102.624 9.750 -8.521 1.00 22.51 C ATOM 241 O LEU B 19 101.628 10.173 -9.114 1.00 23.35 O ATOM 242 CB LEU B 19 104.396 8.524 -9.810 1.00 20.28 C ATOM 243 CG LEU B 19 105.380 8.653 -10.969 1.00 19.98 C ATOM 244 CD1 LEU B 19 106.226 7.398 -11.083 1.00 20.65 C ATOM 245 CD2 LEU B 19 104.632 8.919 -12.262 1.00 20.05 C ATOM 246 HA LEU B 19 103.947 10.618 -9.936 1.00 0.00 H ATOM 247 HB2 LEU B 19 104.849 7.892 -9.046 1.00 0.00 H ATOM 248 HB3 LEU B 19 103.490 8.047 -10.183 1.00 0.00 H ATOM 249 HG LEU B 19 106.044 9.495 -10.777 1.00 0.00 H ATOM 250 HD21 LEU B 19 103.950 8.093 -12.462 1.00 0.00 H ATOM 251 HD22 LEU B 19 104.065 9.846 -12.169 1.00 0.00 H ATOM 252 HD23 LEU B 19 105.345 9.009 -13.081 1.00 0.00 H ATOM 253 HD11 LEU B 19 106.782 7.251 -10.157 1.00 0.00 H ATOM 254 HD12 LEU B 19 105.578 6.539 -11.259 1.00 0.00 H ATOM 255 HD13 LEU B 19 106.923 7.505 -11.914 1.00 0.00 H ATOM 256 H LEU B 19 105.781 9.630 -7.974 1.00 0.00 H ATOM 257 N ASP B 20 102.574 9.200 -7.309 1.00 22.07 N ATOM 258 CA ASP B 20 101.323 9.064 -6.566 1.00 22.14 C ATOM 259 C ASP B 20 100.667 10.415 -6.293 1.00 20.92 C ATOM 260 O ASP B 20 99.452 10.558 -6.433 1.00 21.83 O ATOM 261 CB ASP B 20 101.556 8.309 -5.256 1.00 24.97 C ATOM 262 CG ASP B 20 101.668 6.805 -5.457 1.00 28.79 C ATOM 263 OD1 ASP B 20 101.580 6.339 -6.617 1.00 28.92 O ATOM 264 OD2 ASP B 20 101.844 6.007 -4.509 1.00 31.31 O ATOM 265 HA ASP B 20 100.638 8.490 -7.190 1.00 0.00 H ATOM 266 HB2 ASP B 20 102.480 8.671 -4.804 1.00 0.00 H ATOM 267 HB3 ASP B 20 100.722 8.510 -4.584 1.00 0.00 H ATOM 268 H ASP B 20 103.438 8.862 -6.885 1.00 0.00 H ATOM 269 N LEU B 21 101.477 11.399 -5.912 1.00 19.65 N ATOM 270 CA LEU B 21 100.987 12.752 -5.664 1.00 18.97 C ATOM 271 C LEU B 21 100.585 13.449 -6.964 1.00 21.66 C ATOM 272 O LEU B 21 99.647 14.250 -6.978 1.00 22.13 O ATOM 273 CB LEU B 21 102.036 13.582 -4.917 1.00 16.30 C ATOM 274 CG LEU B 21 102.463 13.136 -3.515 1.00 14.29 C ATOM 275 CD1 LEU B 21 103.809 13.763 -3.150 1.00 14.94 C ATOM 276 CD2 LEU B 21 101.412 13.479 -2.474 1.00 12.02 C ATOM 277 HA LEU B 21 100.098 12.669 -5.039 1.00 0.00 H ATOM 278 HB2 LEU B 21 102.933 13.599 -5.536 1.00 0.00 H ATOM 279 HB3 LEU B 21 101.640 14.593 -4.826 1.00 0.00 H ATOM 280 HG LEU B 21 102.569 12.051 -3.526 1.00 0.00 H ATOM 281 HD21 LEU B 21 101.255 14.558 -2.459 1.00 0.00 H ATOM 282 HD22 LEU B 21 100.477 12.978 -2.725 1.00 0.00 H ATOM 283 HD23 LEU B 21 101.752 13.147 -1.493 1.00 0.00 H ATOM 284 HD11 LEU B 21 104.563 13.447 -3.871 1.00 0.00 H ATOM 285 HD12 LEU B 21 103.719 14.849 -3.168 1.00 0.00 H ATOM 286 HD13 LEU B 21 104.101 13.438 -2.151 1.00 0.00 H ATOM 287 H LEU B 21 102.470 11.202 -5.789 1.00 0.00 H ATOM 288 N GLN B 22 101.299 13.135 -8.047 1.00 24.08 N ATOM 289 CA GLN B 22 101.005 13.667 -9.379 1.00 26.76 C ATOM 290 C GLN B 22 99.668 13.141 -9.897 1.00 27.41 C ATOM 291 O GLN B 22 98.905 13.884 -10.511 1.00 27.50 O ATOM 292 CB GLN B 22 102.124 13.306 -10.362 1.00 30.05 C ATOM 293 CG GLN B 22 102.511 14.421 -11.334 1.00 33.92 C ATOM 294 CD GLN B 22 103.982 14.361 -11.759 1.00 38.27 C ATOM 295 OE1 GLN B 22 104.675 15.381 -11.748 1.00 39.64 O ATOM 296 NE2 GLN B 22 104.453 13.173 -12.142 1.00 38.30 N ATOM 297 HA GLN B 22 100.941 14.752 -9.298 1.00 0.00 H ATOM 298 HB2 GLN B 22 103.009 13.037 -9.785 1.00 0.00 H ATOM 299 HB3 GLN B 22 101.798 12.445 -10.946 1.00 0.00 H ATOM 300 HG2 GLN B 22 101.888 14.338 -12.225 1.00 0.00 H ATOM 301 HG3 GLN B 22 102.327 15.381 -10.852 1.00 0.00 H ATOM 302 HE22 GLN B 22 103.843 12.356 -12.135 1.00 0.00 H ATOM 303 HE21 GLN B 22 105.424 13.082 -12.442 1.00 0.00 H ATOM 304 H GLN B 22 102.086 12.495 -7.942 1.00 0.00 H ATOM 305 N MET B 23 99.404 11.859 -9.646 1.00 28.63 N ATOM 306 CA MET B 23 98.142 11.213 -10.001 1.00 31.58 C ATOM 307 C MET B 23 96.960 11.943 -9.375 1.00 28.84 C ATOM 308 O MET B 23 95.985 12.269 -10.059 1.00 28.96 O ATOM 309 CB MET B 23 98.138 9.773 -9.493 1.00 38.74 C ATOM 310 CG MET B 23 98.322 8.699 -10.547 1.00 46.81 C ATOM 311 SD MET B 23 97.677 7.081 -9.997 1.00 54.26 S ATOM 312 CE MET B 23 98.387 6.917 -8.318 1.00 53.17 C ATOM 313 HA MET B 23 98.048 11.237 -11.087 1.00 0.00 H ATOM 314 HB2 MET B 23 98.946 9.672 -8.768 1.00 0.00 H ATOM 315 HB3 MET B 23 97.183 9.596 -8.998 1.00 0.00 H ATOM 316 HG2 MET B 23 99.385 8.598 -10.765 1.00 0.00 H ATOM 317 HG3 MET B 23 97.794 8.999 -11.452 1.00 0.00 H ATOM 318 HE1 MET B 23 99.475 6.939 -8.381 1.00 0.00 H ATOM 319 HE2 MET B 23 98.041 7.743 -7.696 1.00 0.00 H ATOM 320 HE3 MET B 23 98.066 5.972 -7.880 1.00 0.00 H ATOM 321 H MET B 23 100.120 11.300 -9.182 1.00 0.00 H ATOM 322 N ILE B 24 97.063 12.184 -8.067 1.00 25.75 N ATOM 323 CA ILE B 24 96.008 12.827 -7.292 1.00 22.15 C ATOM 324 C ILE B 24 95.777 14.247 -7.795 1.00 20.85 C ATOM 325 O ILE B 24 94.652 14.592 -8.155 1.00 21.25 O ATOM 326 CB ILE B 24 96.320 12.787 -5.767 1.00 21.52 C ATOM 327 CG1 ILE B 24 96.188 11.353 -5.234 1.00 21.48 C ATOM 328 CG2 ILE B 24 95.395 13.721 -4.989 1.00 20.30 C ATOM 329 CD1 ILE B 24 96.682 11.159 -3.809 1.00 19.60 C ATOM 330 HA ILE B 24 95.082 12.269 -7.433 1.00 0.00 H ATOM 331 HB ILE B 24 97.346 13.128 -5.626 1.00 0.00 H ATOM 332 HG12 ILE B 24 95.135 11.072 -5.270 1.00 0.00 H ATOM 333 HG13 ILE B 24 96.761 10.694 -5.886 1.00 0.00 H ATOM 334 HD11 ILE B 24 97.738 11.421 -3.753 1.00 0.00 H ATOM 335 HD12 ILE B 24 96.111 11.800 -3.137 1.00 0.00 H ATOM 336 HD13 ILE B 24 96.549 10.117 -3.519 1.00 0.00 H ATOM 337 HG21 ILE B 24 95.529 14.742 -5.345 1.00 0.00 H ATOM 338 HG22 ILE B 24 94.360 13.415 -5.141 1.00 0.00 H ATOM 339 HG23 ILE B 24 95.638 13.670 -3.928 1.00 0.00 H ATOM 340 H ILE B 24 97.919 11.906 -7.587 1.00 0.00 H ATOM 341 N LEU B 25 96.844 15.048 -7.851 1.00 18.43 N ATOM 342 CA LEU B 25 96.758 16.420 -8.353 1.00 16.86 C ATOM 343 C LEU B 25 96.119 16.486 -9.743 1.00 18.99 C ATOM 344 O LEU B 25 95.175 17.250 -9.952 1.00 19.91 O ATOM 345 CB LEU B 25 98.132 17.099 -8.347 1.00 15.40 C ATOM 346 CG LEU B 25 98.228 18.537 -8.868 1.00 14.28 C ATOM 347 CD1 LEU B 25 97.706 19.547 -7.858 1.00 13.82 C ATOM 348 CD2 LEU B 25 99.657 18.849 -9.230 1.00 15.32 C ATOM 349 HA LEU B 25 96.106 16.967 -7.673 1.00 0.00 H ATOM 350 HB2 LEU B 25 98.487 17.103 -7.316 1.00 0.00 H ATOM 351 HB3 LEU B 25 98.798 16.488 -8.957 1.00 0.00 H ATOM 352 HG LEU B 25 97.598 18.615 -9.754 1.00 0.00 H ATOM 353 HD21 LEU B 25 100.286 18.740 -8.347 1.00 0.00 H ATOM 354 HD22 LEU B 25 99.993 18.159 -10.004 1.00 0.00 H ATOM 355 HD23 LEU B 25 99.722 19.872 -9.600 1.00 0.00 H ATOM 356 HD11 LEU B 25 96.660 19.333 -7.640 1.00 0.00 H ATOM 357 HD12 LEU B 25 98.291 19.478 -6.941 1.00 0.00 H ATOM 358 HD13 LEU B 25 97.794 20.552 -8.272 1.00 0.00 H ATOM 359 H LEU B 25 97.746 14.693 -7.534 1.00 0.00 H ATOM 360 N ASN B 26 96.619 15.673 -10.674 1.00 20.53 N ATOM 361 CA ASN B 26 96.058 15.596 -12.022 1.00 23.77 C ATOM 362 C ASN B 26 94.576 15.228 -12.046 1.00 22.42 C ATOM 363 O ASN B 26 93.824 15.738 -12.878 1.00 23.14 O ATOM 364 CB ASN B 26 96.848 14.613 -12.889 1.00 29.66 C ATOM 365 CG ASN B 26 98.177 15.180 -13.363 1.00 35.48 C ATOM 366 OD1 ASN B 26 98.513 16.339 -13.099 1.00 37.01 O ATOM 367 ND2 ASN B 26 98.944 14.356 -14.070 1.00 38.31 N ATOM 368 HA ASN B 26 96.143 16.602 -12.433 1.00 0.00 H ATOM 369 HB2 ASN B 26 97.041 13.712 -12.306 1.00 0.00 H ATOM 370 HB3 ASN B 26 96.247 14.358 -13.762 1.00 0.00 H ATOM 371 HD22 ASN B 26 98.628 13.406 -14.265 1.00 0.00 H ATOM 372 HD21 ASN B 26 99.849 14.674 -14.417 1.00 0.00 H ATOM 373 H ASN B 26 97.419 15.086 -10.438 1.00 0.00 H ATOM 374 N GLY B 27 94.165 14.347 -11.133 1.00 19.74 N ATOM 375 CA GLY B 27 92.785 13.896 -11.057 1.00 20.06 C ATOM 376 C GLY B 27 91.866 14.841 -10.299 1.00 20.12 C ATOM 377 O GLY B 27 90.644 14.815 -10.478 1.00 20.76 O ATOM 378 HA3 GLY B 27 92.768 12.927 -10.558 1.00 0.00 H ATOM 379 HA2 GLY B 27 92.403 13.787 -12.072 1.00 0.00 H ATOM 380 H GLY B 27 94.842 13.977 -10.465 1.00 0.00 H ATOM 381 N ILE B 28 92.468 15.681 -9.460 1.00 19.11 N ATOM 382 CA ILE B 28 91.751 16.590 -8.572 1.00 16.76 C ATOM 383 C ILE B 28 91.596 17.972 -9.210 1.00 17.23 C ATOM 384 O ILE B 28 90.493 18.527 -9.245 1.00 17.10 O ATOM 385 CB ILE B 28 92.498 16.664 -7.203 1.00 16.85 C ATOM 386 CG1 ILE B 28 91.696 15.956 -6.115 1.00 17.15 C ATOM 387 CG2 ILE B 28 92.867 18.102 -6.802 1.00 16.50 C ATOM 388 CD1 ILE B 28 92.358 16.015 -4.757 1.00 19.10 C ATOM 389 HA ILE B 28 90.744 16.210 -8.400 1.00 0.00 H ATOM 390 HB ILE B 28 93.445 16.139 -7.323 1.00 0.00 H ATOM 391 HG12 ILE B 28 90.716 16.427 -6.044 1.00 0.00 H ATOM 392 HG13 ILE B 28 91.576 14.910 -6.397 1.00 0.00 H ATOM 393 HD11 ILE B 28 93.337 15.538 -4.810 1.00 0.00 H ATOM 394 HD12 ILE B 28 92.476 17.056 -4.457 1.00 0.00 H ATOM 395 HD13 ILE B 28 91.737 15.493 -4.029 1.00 0.00 H ATOM 396 HG21 ILE B 28 93.519 18.534 -7.561 1.00 0.00 H ATOM 397 HG22 ILE B 28 91.959 18.699 -6.719 1.00 0.00 H ATOM 398 HG23 ILE B 28 93.384 18.089 -5.842 1.00 0.00 H ATOM 399 H ILE B 28 93.488 15.690 -9.437 1.00 0.00 H ATOM 400 N ASN B 29 92.704 18.508 -9.723 1.00 17.30 N ATOM 401 CA ASN B 29 92.741 19.852 -10.286 1.00 17.93 C ATOM 402 C ASN B 29 92.366 19.852 -11.768 1.00 21.25 C ATOM 403 O ASN B 29 93.212 20.061 -12.640 1.00 23.38 O ATOM 404 CB ASN B 29 94.120 20.474 -10.058 1.00 17.12 C ATOM 405 CG ASN B 29 94.130 21.975 -10.261 1.00 18.57 C ATOM 406 OD1 ASN B 29 93.143 22.663 -9.993 1.00 19.59 O ATOM 407 ND2 ASN B 29 95.257 22.493 -10.736 1.00 18.48 N ATOM 408 HA ASN B 29 91.996 20.461 -9.773 1.00 0.00 H ATOM 409 HB2 ASN B 29 94.435 20.259 -9.037 1.00 0.00 H ATOM 410 HB3 ASN B 29 94.825 20.023 -10.757 1.00 0.00 H ATOM 411 HD22 ASN B 29 96.050 21.886 -10.944 1.00 0.00 H ATOM 412 HD21 ASN B 29 95.330 23.498 -10.893 1.00 0.00 H ATOM 413 H ASN B 29 93.561 17.955 -9.721 1.00 0.00 H ATOM 414 N ASN B 30 91.085 19.610 -12.036 1.00 23.29 N ATOM 415 CA ASN B 30 90.557 19.523 -13.394 1.00 25.15 C ATOM 416 C ASN B 30 89.279 20.343 -13.536 1.00 24.61 C ATOM 417 O ASN B 30 88.573 20.569 -12.557 1.00 23.87 O ATOM 418 CB ASN B 30 90.274 18.060 -13.746 1.00 27.86 C ATOM 419 CG ASN B 30 90.419 17.773 -15.227 1.00 31.44 C ATOM 420 OD1 ASN B 30 89.501 18.016 -16.012 1.00 33.27 O ATOM 421 ND2 ASN B 30 91.575 17.245 -15.617 1.00 33.26 N ATOM 422 HA ASN B 30 91.303 19.927 -14.079 1.00 0.00 H ATOM 423 HB2 ASN B 30 90.974 17.428 -13.199 1.00 0.00 H ATOM 424 HB3 ASN B 30 89.255 17.819 -13.443 1.00 0.00 H ATOM 425 HD22 ASN B 30 92.308 17.060 -14.932 1.00 0.00 H ATOM 426 HD21 ASN B 30 91.729 17.025 -16.601 1.00 0.00 H ATOM 427 H ASN B 30 90.442 19.479 -11.255 1.00 0.00 H ATOM 428 N TYR B 31 88.982 20.790 -14.754 1.00 25.80 N ATOM 429 CA TYR B 31 87.735 21.500 -15.021 1.00 26.19 C ATOM 430 C TYR B 31 86.540 20.547 -14.933 1.00 27.30 C ATOM 431 O TYR B 31 85.409 20.973 -14.671 1.00 27.17 O ATOM 432 CB TYR B 31 87.793 22.233 -16.373 1.00 27.83 C ATOM 433 CG TYR B 31 87.397 21.414 -17.590 1.00 29.06 C ATOM 434 CD1 TYR B 31 86.064 21.326 -17.991 1.00 30.26 C ATOM 435 CD2 TYR B 31 88.358 20.744 -18.349 1.00 29.36 C ATOM 436 CE1 TYR B 31 85.694 20.578 -19.105 1.00 33.07 C ATOM 437 CE2 TYR B 31 87.999 19.996 -19.470 1.00 31.58 C ATOM 438 CZ TYR B 31 86.665 19.919 -19.842 1.00 33.40 C ATOM 439 OH TYR B 31 86.290 19.184 -20.944 1.00 35.85 O ATOM 440 HA TYR B 31 87.601 22.262 -14.253 1.00 0.00 H ATOM 441 HB3 TYR B 31 88.816 22.579 -16.522 1.00 0.00 H ATOM 442 HB2 TYR B 31 87.124 23.092 -16.316 1.00 0.00 H ATOM 443 HD2 TYR B 31 89.407 20.807 -18.061 1.00 0.00 H ATOM 444 HE2 TYR B 31 88.761 19.476 -20.050 1.00 0.00 H ATOM 445 HE1 TYR B 31 84.646 20.511 -19.396 1.00 0.00 H ATOM 446 HD1 TYR B 31 85.298 21.853 -17.422 1.00 0.00 H ATOM 447 HH TYR B 31 85.338 19.239 -21.055 1.00 0.00 H ATOM 448 H TYR B 31 89.640 20.633 -15.517 1.00 0.00 H ATOM 449 N LYS B 32 86.810 19.258 -15.138 1.00 27.83 N ATOM 450 CA LYS B 32 85.783 18.215 -15.112 1.00 29.13 C ATOM 451 C LYS B 32 85.411 17.788 -13.686 1.00 26.64 C ATOM 452 O LYS B 32 84.461 17.024 -13.489 1.00 26.59 O ATOM 453 CB LYS B 32 86.223 17.004 -15.946 1.00 31.38 C ATOM 454 CG LYS B 32 86.396 17.296 -17.432 1.00 34.15 C ATOM 455 CD LYS B 32 86.581 16.020 -18.238 1.00 37.87 C ATOM 456 CE LYS B 32 87.885 16.042 -19.019 1.00 40.08 C ATOM 457 NZ LYS B 32 89.025 15.520 -18.211 1.00 39.51 N ATOM 458 HA LYS B 32 84.884 18.643 -15.556 1.00 0.00 H ATOM 459 HB2 LYS B 32 87.176 16.647 -15.555 1.00 0.00 H ATOM 460 HB3 LYS B 32 85.471 16.222 -15.837 1.00 0.00 H ATOM 461 HG2 LYS B 32 85.511 17.818 -17.795 1.00 0.00 H ATOM 462 HG3 LYS B 32 87.272 17.930 -17.568 1.00 0.00 H ATOM 463 HD2 LYS B 32 86.589 15.168 -17.558 1.00 0.00 H ATOM 464 HD3 LYS B 32 85.750 15.918 -18.937 1.00 0.00 H ATOM 465 HE2 LYS B 32 88.102 17.069 -19.314 1.00 0.00 H ATOM 466 HE3 LYS B 32 87.773 15.425 -19.911 1.00 0.00 H ATOM 467 HZ1 LYS B 32 89.141 16.096 -17.377 1.00 0.00 H ATOM 468 HZ2 LYS B 32 88.832 14.557 -17.936 1.00 0.00 H ATOM 469 HZ3 LYS B 32 89.878 15.551 -18.769 1.00 0.00 H ATOM 470 H LYS B 32 87.776 18.986 -15.321 1.00 0.00 H ATOM 471 N ASN B 33 86.172 18.281 -12.707 1.00 22.86 N ATOM 472 CA ASN B 33 85.863 18.116 -11.288 1.00 20.34 C ATOM 473 C ASN B 33 84.652 18.983 -10.930 1.00 20.62 C ATOM 474 O ASN B 33 84.725 20.210 -11.008 1.00 19.66 O ATOM 475 CB ASN B 33 87.088 18.499 -10.437 1.00 19.11 C ATOM 476 CG ASN B 33 86.923 18.177 -8.946 1.00 18.61 C ATOM 477 OD1 ASN B 33 85.869 17.728 -8.489 1.00 21.42 O ATOM 478 ND2 ASN B 33 87.982 18.416 -8.182 1.00 15.14 N ATOM 479 HA ASN B 33 85.620 17.074 -11.081 1.00 0.00 H ATOM 480 HB2 ASN B 33 87.954 17.955 -10.814 1.00 0.00 H ATOM 481 HB3 ASN B 33 87.260 19.570 -10.542 1.00 0.00 H ATOM 482 HD22 ASN B 33 88.837 18.788 -8.597 1.00 0.00 H ATOM 483 HD21 ASN B 33 87.941 18.228 -7.180 1.00 0.00 H ATOM 484 H ASN B 33 87.012 18.800 -12.962 1.00 0.00 H ATOM 485 N PRO B 34 83.538 18.350 -10.556 1.00 22.05 N ATOM 486 CA PRO B 34 82.319 19.084 -10.198 1.00 23.77 C ATOM 487 C PRO B 34 82.471 19.821 -8.872 1.00 25.84 C ATOM 488 O PRO B 34 81.786 20.820 -8.641 1.00 26.93 O ATOM 489 CB PRO B 34 81.269 17.974 -10.055 1.00 23.14 C ATOM 490 CG PRO B 34 81.879 16.777 -10.691 1.00 23.58 C ATOM 491 CD PRO B 34 83.347 16.894 -10.440 1.00 22.88 C ATOM 492 HA PRO B 34 82.066 19.845 -10.937 1.00 0.00 H ATOM 493 HD3 PRO B 34 83.613 16.533 -9.447 1.00 0.00 H ATOM 494 HD2 PRO B 34 83.926 16.353 -11.189 1.00 0.00 H ATOM 495 HG3 PRO B 34 81.675 16.769 -11.762 1.00 0.00 H ATOM 496 HG2 PRO B 34 81.487 15.865 -10.241 1.00 0.00 H ATOM 497 HB2 PRO B 34 81.056 17.782 -9.003 1.00 0.00 H ATOM 498 HB3 PRO B 34 80.347 18.251 -10.566 1.00 0.00 H ATOM 499 N LYS B 35 83.366 19.330 -8.020 1.00 26.47 N ATOM 500 CA LYS B 35 83.557 19.891 -6.691 1.00 27.77 C ATOM 501 C LYS B 35 84.858 20.691 -6.603 1.00 26.91 C ATOM 502 O LYS B 35 85.462 20.790 -5.535 1.00 27.88 O ATOM 503 CB LYS B 35 83.524 18.783 -5.629 1.00 30.26 C ATOM 504 CG LYS B 35 82.665 17.570 -5.989 1.00 34.11 C ATOM 505 CD LYS B 35 81.406 17.485 -5.136 1.00 35.17 C ATOM 506 CE LYS B 35 81.002 16.034 -4.909 1.00 37.14 C ATOM 507 NZ LYS B 35 79.525 15.872 -4.762 1.00 38.89 N ATOM 508 HA LYS B 35 82.735 20.580 -6.498 1.00 0.00 H ATOM 509 HB2 LYS B 35 84.545 18.439 -5.467 1.00 0.00 H ATOM 510 HB3 LYS B 35 83.135 19.211 -4.705 1.00 0.00 H ATOM 511 HG2 LYS B 35 82.375 17.643 -7.037 1.00 0.00 H ATOM 512 HG3 LYS B 35 83.254 16.665 -5.838 1.00 0.00 H ATOM 513 HD2 LYS B 35 81.594 17.959 -4.172 1.00 0.00 H ATOM 514 HD3 LYS B 35 80.595 18.007 -5.643 1.00 0.00 H ATOM 515 HE2 LYS B 35 81.486 15.673 -4.002 1.00 0.00 H ATOM 516 HE3 LYS B 35 81.337 15.440 -5.759 1.00 0.00 H ATOM 517 HZ1 LYS B 35 79.202 16.419 -3.964 1.00 0.00 H ATOM 518 HZ2 LYS B 35 79.062 16.200 -5.610 1.00 0.00 H ATOM 519 HZ3 LYS B 35 79.305 14.887 -4.613 1.00 0.00 H ATOM 520 H LYS B 35 83.937 18.535 -8.307 1.00 0.00 H ATOM 521 N LEU B 36 85.275 21.275 -7.724 1.00 25.37 N ATOM 522 CA LEU B 36 86.518 22.045 -7.782 1.00 24.98 C ATOM 523 C LEU B 36 86.504 23.273 -6.868 1.00 25.59 C ATOM 524 O LEU B 36 87.448 23.490 -6.111 1.00 24.95 O ATOM 525 CB LEU B 36 86.840 22.452 -9.224 1.00 24.17 C ATOM 526 CG LEU B 36 88.149 23.206 -9.480 1.00 24.03 C ATOM 527 CD1 LEU B 36 89.358 22.420 -8.984 1.00 23.55 C ATOM 528 CD2 LEU B 36 88.293 23.532 -10.956 1.00 23.95 C ATOM 529 HA LEU B 36 87.305 21.388 -7.413 1.00 0.00 H ATOM 530 HB2 LEU B 36 86.868 21.540 -9.821 1.00 0.00 H ATOM 531 HB3 LEU B 36 86.026 23.087 -9.572 1.00 0.00 H ATOM 532 HG LEU B 36 88.110 24.138 -8.916 1.00 0.00 H ATOM 533 HD21 LEU B 36 88.297 22.607 -11.532 1.00 0.00 H ATOM 534 HD22 LEU B 36 87.456 24.155 -11.273 1.00 0.00 H ATOM 535 HD23 LEU B 36 89.228 24.067 -11.119 1.00 0.00 H ATOM 536 HD11 LEU B 36 89.264 22.249 -7.912 1.00 0.00 H ATOM 537 HD12 LEU B 36 89.405 21.463 -9.503 1.00 0.00 H ATOM 538 HD13 LEU B 36 90.266 22.988 -9.184 1.00 0.00 H ATOM 539 H LEU B 36 84.711 21.183 -8.569 1.00 0.00 H ATOM 540 N THR B 37 85.430 24.058 -6.941 1.00 26.84 N ATOM 541 CA THR B 37 85.289 25.280 -6.146 1.00 25.47 C ATOM 542 C THR B 37 85.381 25.015 -4.646 1.00 26.14 C ATOM 543 O THR B 37 86.151 25.671 -3.939 1.00 25.86 O ATOM 544 CB THR B 37 83.955 25.984 -6.466 1.00 23.33 C ATOM 545 OG1 THR B 37 83.897 26.296 -7.864 1.00 22.74 O ATOM 546 CG2 THR B 37 83.898 27.348 -5.790 1.00 21.79 C ATOM 547 HA THR B 37 86.122 25.928 -6.419 1.00 0.00 H ATOM 548 HB THR B 37 83.157 25.318 -6.138 1.00 0.00 H ATOM 549 HG1 THR B 37 83.065 26.734 -8.059 1.00 0.00 H ATOM 550 HG23 THR B 37 83.937 27.218 -4.708 1.00 0.00 H ATOM 551 HG21 THR B 37 84.747 27.949 -6.116 1.00 0.00 H ATOM 552 HG22 THR B 37 82.970 27.849 -6.064 1.00 0.00 H ATOM 553 H THR B 37 84.676 23.797 -7.576 1.00 0.00 H ATOM 554 N ARG B 38 84.592 24.049 -4.179 1.00 27.11 N ATOM 555 CA ARG B 38 84.494 23.725 -2.757 1.00 26.84 C ATOM 556 C ARG B 38 85.754 23.046 -2.222 1.00 23.49 C ATOM 557 O ARG B 38 86.159 23.289 -1.088 1.00 23.42 O ATOM 558 CB ARG B 38 83.270 22.842 -2.493 1.00 30.23 C ATOM 559 CG ARG B 38 81.930 23.505 -2.787 1.00 33.75 C ATOM 560 CD ARG B 38 80.825 22.521 -3.162 1.00 37.10 C ATOM 561 NE ARG B 38 79.640 23.195 -3.689 1.00 39.13 N ATOM 562 CZ ARG B 38 78.662 23.696 -2.941 1.00 40.88 C ATOM 563 NH1 ARG B 38 78.713 23.603 -1.617 1.00 42.43 N ATOM 564 NH2 ARG B 38 77.627 24.292 -3.517 1.00 41.20 N ATOM 565 HA ARG B 38 84.384 24.670 -2.224 1.00 0.00 H ATOM 566 HB2 ARG B 38 83.353 21.952 -3.117 1.00 0.00 H ATOM 567 HB3 ARG B 38 83.282 22.551 -1.443 1.00 0.00 H ATOM 568 HG2 ARG B 38 81.615 24.053 -1.899 1.00 0.00 H ATOM 569 HG3 ARG B 38 82.065 24.202 -3.614 1.00 0.00 H ATOM 570 HD2 ARG B 38 80.542 21.956 -2.274 1.00 0.00 H ATOM 571 HD3 ARG B 38 81.206 21.837 -3.920 1.00 0.00 H ATOM 572 HE ARG B 38 79.558 23.287 -4.701 1.00 0.00 H ATOM 573 HH12 ARG B 38 77.959 23.990 -1.049 1.00 0.00 H ATOM 574 HH11 ARG B 38 79.506 23.145 -1.168 1.00 0.00 H ATOM 575 HH22 ARG B 38 76.876 24.677 -2.944 1.00 0.00 H ATOM 576 HH21 ARG B 38 77.582 24.366 -4.533 1.00 0.00 H ATOM 577 H ARG B 38 84.032 23.512 -4.842 1.00 0.00 H ATOM 578 N MET B 39 86.364 22.197 -3.045 1.00 20.52 N ATOM 579 CA MET B 39 87.581 21.481 -2.676 1.00 18.24 C ATOM 580 C MET B 39 88.713 22.447 -2.332 1.00 17.74 C ATOM 581 O MET B 39 89.502 22.196 -1.417 1.00 20.02 O ATOM 582 CB MET B 39 88.003 20.552 -3.816 1.00 17.75 C ATOM 583 CG MET B 39 89.231 19.698 -3.543 1.00 18.26 C ATOM 584 SD MET B 39 89.740 18.767 -5.001 1.00 18.10 S ATOM 585 CE MET B 39 90.230 20.096 -6.099 1.00 18.68 C ATOM 586 HA MET B 39 87.370 20.887 -1.787 1.00 0.00 H ATOM 587 HB2 MET B 39 87.169 19.883 -4.031 1.00 0.00 H ATOM 588 HB3 MET B 39 88.209 21.167 -4.692 1.00 0.00 H ATOM 589 HG2 MET B 39 89.002 18.998 -2.740 1.00 0.00 H ATOM 590 HG3 MET B 39 90.051 20.347 -3.235 1.00 0.00 H ATOM 591 HE1 MET B 39 89.378 20.752 -6.276 1.00 0.00 H ATOM 592 HE2 MET B 39 91.039 20.665 -5.641 1.00 0.00 H ATOM 593 HE3 MET B 39 90.570 19.677 -7.046 1.00 0.00 H ATOM 594 H MET B 39 85.965 22.040 -3.971 1.00 0.00 H ATOM 595 N LEU B 40 88.777 23.559 -3.054 1.00 15.35 N ATOM 596 CA LEU B 40 89.850 24.527 -2.856 1.00 15.98 C ATOM 597 C LEU B 40 89.692 25.355 -1.571 1.00 17.72 C ATOM 598 O LEU B 40 90.638 26.022 -1.143 1.00 19.04 O ATOM 599 CB LEU B 40 90.016 25.422 -4.094 1.00 13.83 C ATOM 600 CG LEU B 40 90.399 24.714 -5.406 1.00 12.21 C ATOM 601 CD1 LEU B 40 90.098 25.589 -6.614 1.00 11.72 C ATOM 602 CD2 LEU B 40 91.858 24.258 -5.423 1.00 10.76 C ATOM 603 HA LEU B 40 90.767 23.953 -2.724 1.00 0.00 H ATOM 604 HB2 LEU B 40 89.070 25.938 -4.259 1.00 0.00 H ATOM 605 HB3 LEU B 40 90.793 26.153 -3.873 1.00 0.00 H ATOM 606 HG LEU B 40 89.781 23.818 -5.464 1.00 0.00 H ATOM 607 HD21 LEU B 40 92.509 25.124 -5.307 1.00 0.00 H ATOM 608 HD22 LEU B 40 92.029 23.560 -4.603 1.00 0.00 H ATOM 609 HD23 LEU B 40 92.072 23.765 -6.371 1.00 0.00 H ATOM 610 HD11 LEU B 40 89.032 25.816 -6.640 1.00 0.00 H ATOM 611 HD12 LEU B 40 90.667 26.516 -6.540 1.00 0.00 H ATOM 612 HD13 LEU B 40 90.380 25.059 -7.524 1.00 0.00 H ATOM 613 H LEU B 40 88.063 23.740 -3.760 1.00 0.00 H ATOM 614 N THR B 41 88.513 25.285 -0.952 1.00 17.86 N ATOM 615 CA THR B 41 88.245 26.002 0.301 1.00 19.73 C ATOM 616 C THR B 41 88.889 25.328 1.509 1.00 20.54 C ATOM 617 O THR B 41 89.069 25.963 2.551 1.00 23.27 O ATOM 618 CB THR B 41 86.725 26.153 0.563 1.00 20.80 C ATOM 619 OG1 THR B 41 86.154 24.868 0.848 1.00 20.46 O ATOM 620 CG2 THR B 41 85.978 26.630 -0.684 1.00 19.08 C ATOM 621 HA THR B 41 88.691 26.989 0.174 1.00 0.00 H ATOM 622 HB THR B 41 86.626 26.864 1.383 1.00 0.00 H ATOM 623 HG1 THR B 41 86.292 24.284 0.098 1.00 0.00 H ATOM 624 HG23 THR B 41 86.351 27.611 -0.976 1.00 0.00 H ATOM 625 HG21 THR B 41 86.140 25.921 -1.496 1.00 0.00 H ATOM 626 HG22 THR B 41 84.912 26.696 -0.465 1.00 0.00 H ATOM 627 H THR B 41 87.773 24.715 -1.362 1.00 0.00 H ATOM 628 N PHE B 42 89.210 24.042 1.370 1.00 19.91 N ATOM 629 CA PHE B 42 89.836 23.264 2.437 1.00 18.69 C ATOM 630 C PHE B 42 91.263 23.748 2.679 1.00 19.70 C ATOM 631 O PHE B 42 92.048 23.880 1.738 1.00 21.92 O ATOM 632 CB PHE B 42 89.832 21.773 2.083 1.00 15.69 C ATOM 633 CG PHE B 42 89.829 20.863 3.278 1.00 15.68 C ATOM 634 CD1 PHE B 42 88.639 20.320 3.751 1.00 15.94 C ATOM 635 CD2 PHE B 42 91.017 20.544 3.932 1.00 15.17 C ATOM 636 CE1 PHE B 42 88.629 19.475 4.863 1.00 17.23 C ATOM 637 CE2 PHE B 42 91.017 19.700 5.044 1.00 15.82 C ATOM 638 CZ PHE B 42 89.821 19.165 5.510 1.00 15.86 C ATOM 639 HA PHE B 42 89.261 23.405 3.352 1.00 0.00 H ATOM 640 HB2 PHE B 42 88.942 21.563 1.490 1.00 0.00 H ATOM 641 HB3 PHE B 42 90.721 21.558 1.490 1.00 0.00 H ATOM 642 HD2 PHE B 42 91.958 20.959 3.571 1.00 0.00 H ATOM 643 HE2 PHE B 42 91.954 19.460 5.547 1.00 0.00 H ATOM 644 HZ PHE B 42 89.817 18.506 6.378 1.00 0.00 H ATOM 645 HE1 PHE B 42 87.688 19.059 5.224 1.00 0.00 H ATOM 646 HD1 PHE B 42 87.702 20.557 3.247 1.00 0.00 H ATOM 647 H PHE B 42 89.010 23.582 0.482 1.00 0.00 H ATOM 648 N LYS B 43 91.592 24.009 3.941 1.00 20.26 N ATOM 649 CA LYS B 43 92.899 24.560 4.305 1.00 20.74 C ATOM 650 C LYS B 43 93.882 23.480 4.763 1.00 20.22 C ATOM 651 O LYS B 43 93.564 22.662 5.627 1.00 20.75 O ATOM 652 CB LYS B 43 92.747 25.639 5.377 1.00 21.94 C ATOM 653 CG LYS B 43 91.786 26.753 4.996 1.00 24.30 C ATOM 654 CD LYS B 43 91.945 27.966 5.899 1.00 28.21 C ATOM 655 CE LYS B 43 91.067 29.117 5.429 1.00 30.95 C ATOM 656 NZ LYS B 43 91.857 30.205 4.783 1.00 32.45 N ATOM 657 HA LYS B 43 93.318 25.010 3.405 1.00 0.00 H ATOM 658 HB2 LYS B 43 92.382 25.168 6.290 1.00 0.00 H ATOM 659 HB3 LYS B 43 93.727 26.079 5.563 1.00 0.00 H ATOM 660 HG2 LYS B 43 91.981 27.051 3.966 1.00 0.00 H ATOM 661 HG3 LYS B 43 90.764 26.382 5.079 1.00 0.00 H ATOM 662 HD2 LYS B 43 91.661 27.693 6.915 1.00 0.00 H ATOM 663 HD3 LYS B 43 92.987 28.285 5.887 1.00 0.00 H ATOM 664 HE2 LYS B 43 90.540 29.530 6.289 1.00 0.00 H ATOM 665 HE3 LYS B 43 90.343 28.735 4.710 1.00 0.00 H ATOM 666 HZ1 LYS B 43 92.533 30.575 5.451 1.00 0.00 H ATOM 667 HZ2 LYS B 43 92.349 29.831 3.972 1.00 0.00 H ATOM 668 HZ3 LYS B 43 91.227 30.951 4.486 1.00 0.00 H ATOM 669 H LYS B 43 90.913 23.819 4.678 1.00 0.00 H ATOM 670 N PHE B 44 95.076 23.494 4.176 1.00 19.04 N ATOM 671 CA PHE B 44 96.090 22.480 4.441 1.00 17.68 C ATOM 672 C PHE B 44 97.305 23.055 5.145 1.00 19.33 C ATOM 673 O PHE B 44 97.709 24.188 4.882 1.00 21.90 O ATOM 674 CB PHE B 44 96.533 21.820 3.138 1.00 15.43 C ATOM 675 CG PHE B 44 95.636 20.712 2.690 1.00 14.85 C ATOM 676 CD1 PHE B 44 95.826 19.416 3.159 1.00 13.94 C ATOM 677 CD2 PHE B 44 94.595 20.960 1.803 1.00 15.55 C ATOM 678 CE1 PHE B 44 94.992 18.382 2.752 1.00 13.13 C ATOM 679 CE2 PHE B 44 93.756 19.932 1.389 1.00 15.21 C ATOM 680 CZ PHE B 44 93.960 18.639 1.864 1.00 13.99 C ATOM 681 HA PHE B 44 95.634 21.740 5.099 1.00 0.00 H ATOM 682 HB2 PHE B 44 96.557 22.581 2.358 1.00 0.00 H ATOM 683 HB3 PHE B 44 97.535 21.416 3.280 1.00 0.00 H ATOM 684 HD2 PHE B 44 94.435 21.971 1.428 1.00 0.00 H ATOM 685 HE2 PHE B 44 92.941 20.137 0.695 1.00 0.00 H ATOM 686 HZ PHE B 44 93.308 17.829 1.537 1.00 0.00 H ATOM 687 HE1 PHE B 44 95.149 17.372 3.130 1.00 0.00 H ATOM 688 HD1 PHE B 44 96.639 19.209 3.855 1.00 0.00 H ATOM 689 H PHE B 44 95.290 24.242 3.516 1.00 0.00 H ATOM 690 N TYR B 45 97.893 22.259 6.030 1.00 18.76 N ATOM 691 CA TYR B 45 99.106 22.656 6.725 1.00 19.45 C ATOM 692 C TYR B 45 100.336 22.463 5.838 1.00 18.72 C ATOM 693 O TYR B 45 100.599 21.363 5.336 1.00 17.93 O ATOM 694 CB TYR B 45 99.254 21.876 8.030 1.00 20.70 C ATOM 695 CG TYR B 45 98.475 22.443 9.199 1.00 23.93 C ATOM 696 CD1 TYR B 45 98.586 23.791 9.560 1.00 25.46 C ATOM 697 CD2 TYR B 45 97.633 21.628 9.956 1.00 25.03 C ATOM 698 CE1 TYR B 45 97.869 24.311 10.640 1.00 26.11 C ATOM 699 CE2 TYR B 45 96.914 22.137 11.038 1.00 25.48 C ATOM 700 CZ TYR B 45 97.039 23.474 11.376 1.00 27.03 C ATOM 701 OH TYR B 45 96.328 23.972 12.446 1.00 29.25 O ATOM 702 HA TYR B 45 99.028 23.717 6.963 1.00 0.00 H ATOM 703 HB3 TYR B 45 100.310 21.863 8.300 1.00 0.00 H ATOM 704 HB2 TYR B 45 98.912 20.856 7.857 1.00 0.00 H ATOM 705 HD2 TYR B 45 97.535 20.574 9.697 1.00 0.00 H ATOM 706 HE2 TYR B 45 96.257 21.485 11.614 1.00 0.00 H ATOM 707 HE1 TYR B 45 97.960 25.365 10.903 1.00 0.00 H ATOM 708 HD1 TYR B 45 99.243 24.446 8.988 1.00 0.00 H ATOM 709 HH TYR B 45 96.521 24.907 12.550 1.00 0.00 H ATOM 710 H TYR B 45 97.483 21.346 6.227 1.00 0.00 H ATOM 711 N MET B 46 101.074 23.553 5.646 1.00 19.49 N ATOM 712 CA MET B 46 102.323 23.552 4.887 1.00 18.47 C ATOM 713 C MET B 46 103.522 23.490 5.837 1.00 19.36 C ATOM 714 O MET B 46 103.447 23.998 6.958 1.00 21.40 O ATOM 715 CB MET B 46 102.422 24.820 4.032 1.00 19.05 C ATOM 716 CG MET B 46 101.266 25.025 3.065 1.00 19.02 C ATOM 717 SD MET B 46 101.355 23.922 1.645 1.00 17.38 S ATOM 718 CE MET B 46 102.240 24.947 0.468 1.00 15.60 C ATOM 719 HA MET B 46 102.331 22.675 4.239 1.00 0.00 H ATOM 720 HB2 MET B 46 102.462 25.679 4.701 1.00 0.00 H ATOM 721 HB3 MET B 46 103.344 24.769 3.453 1.00 0.00 H ATOM 722 HG2 MET B 46 101.285 26.055 2.710 1.00 0.00 H ATOM 723 HG3 MET B 46 100.331 24.841 3.593 1.00 0.00 H ATOM 724 HE1 MET B 46 101.669 25.856 0.278 1.00 0.00 H ATOM 725 HE2 MET B 46 103.216 25.209 0.878 1.00 0.00 H ATOM 726 HE3 MET B 46 102.371 24.397 -0.464 1.00 0.00 H ATOM 727 H MET B 46 100.752 24.433 6.049 1.00 0.00 H ATOM 728 N PRO B 47 104.621 22.873 5.405 1.00 18.43 N ATOM 729 CA PRO B 47 105.853 22.862 6.205 1.00 21.61 C ATOM 730 C PRO B 47 106.607 24.199 6.162 1.00 25.39 C ATOM 731 O PRO B 47 106.548 24.906 5.150 1.00 24.94 O ATOM 732 CB PRO B 47 106.685 21.752 5.550 1.00 20.08 C ATOM 733 CG PRO B 47 106.204 21.683 4.134 1.00 17.76 C ATOM 734 CD PRO B 47 104.772 22.125 4.142 1.00 17.42 C ATOM 735 HA PRO B 47 105.647 22.698 7.263 1.00 0.00 H ATOM 736 HD3 PRO B 47 104.562 22.767 3.287 1.00 0.00 H ATOM 737 HD2 PRO B 47 104.103 21.265 4.122 1.00 0.00 H ATOM 738 HG3 PRO B 47 106.280 20.662 3.761 1.00 0.00 H ATOM 739 HG2 PRO B 47 106.798 22.344 3.503 1.00 0.00 H ATOM 740 HB2 PRO B 47 107.746 22.000 5.582 1.00 0.00 H ATOM 741 HB3 PRO B 47 106.520 20.801 6.057 1.00 0.00 H ATOM 742 N LYS B 48 107.294 24.539 7.252 1.00 31.15 N ATOM 743 CA LYS B 48 108.155 25.724 7.292 1.00 36.77 C ATOM 744 C LYS B 48 109.392 25.490 6.440 1.00 36.13 C ATOM 745 O LYS B 48 109.791 26.352 5.657 1.00 36.22 O ATOM 746 CB LYS B 48 108.575 26.058 8.728 1.00 42.51 C ATOM 747 CG LYS B 48 107.719 27.123 9.393 1.00 49.51 C ATOM 748 CD LYS B 48 108.526 28.344 9.823 1.00 54.75 C ATOM 749 CE LYS B 48 107.599 29.505 10.185 1.00 58.13 C ATOM 750 NZ LYS B 48 107.928 30.095 11.517 1.00 61.19 N ATOM 751 HA LYS B 48 107.589 26.567 6.897 1.00 0.00 H ATOM 752 HB2 LYS B 48 108.513 25.147 9.324 1.00 0.00 H ATOM 753 HB3 LYS B 48 109.607 26.409 8.710 1.00 0.00 H ATOM 754 HG2 LYS B 48 106.951 27.443 8.689 1.00 0.00 H ATOM 755 HG3 LYS B 48 107.245 26.690 10.274 1.00 0.00 H ATOM 756 HD2 LYS B 48 109.132 28.085 10.692 1.00 0.00 H ATOM 757 HD3 LYS B 48 109.178 28.648 9.005 1.00 0.00 H ATOM 758 HE2 LYS B 48 106.572 29.141 10.206 1.00 0.00 H ATOM 759 HE3 LYS B 48 107.693 30.280 9.424 1.00 0.00 H ATOM 760 HZ1 LYS B 48 107.836 29.379 12.237 1.00 0.00 H ATOM 761 HZ2 LYS B 48 108.886 30.445 11.505 1.00 0.00 H ATOM 762 HZ3 LYS B 48 107.286 30.863 11.715 1.00 0.00 H ATOM 763 H LYS B 48 107.218 23.956 8.085 1.00 0.00 H ATOM 764 N LYS B 49 109.988 24.313 6.608 1.00 36.09 N ATOM 765 CA LYS B 49 111.137 23.885 5.823 1.00 36.81 C ATOM 766 C LYS B 49 110.842 22.519 5.213 1.00 33.52 C ATOM 767 O LYS B 49 110.346 21.620 5.895 1.00 32.25 O ATOM 768 CB LYS B 49 112.390 23.817 6.698 1.00 40.29 C ATOM 769 CG LYS B 49 113.492 24.792 6.304 1.00 43.96 C ATOM 770 CD LYS B 49 114.520 24.949 7.422 1.00 48.40 C ATOM 771 CE LYS B 49 115.759 24.085 7.179 1.00 49.27 C ATOM 772 NZ LYS B 49 116.545 23.855 8.427 1.00 50.45 N ATOM 773 HA LYS B 49 111.320 24.608 5.028 1.00 0.00 H ATOM 774 HB2 LYS B 49 112.099 24.030 7.727 1.00 0.00 H ATOM 775 HB3 LYS B 49 112.793 22.806 6.638 1.00 0.00 H ATOM 776 HG2 LYS B 49 113.993 24.420 5.410 1.00 0.00 H ATOM 777 HG3 LYS B 49 113.047 25.764 6.091 1.00 0.00 H ATOM 778 HD2 LYS B 49 114.824 25.994 7.478 1.00 0.00 H ATOM 779 HD3 LYS B 49 114.063 24.653 8.366 1.00 0.00 H ATOM 780 HE2 LYS B 49 116.397 24.584 6.450 1.00 0.00 H ATOM 781 HE3 LYS B 49 115.442 23.121 6.782 1.00 0.00 H ATOM 782 HZ1 LYS B 49 116.854 24.751 8.803 1.00 0.00 H ATOM 783 HZ2 LYS B 49 115.959 23.381 9.114 1.00 0.00 H ATOM 784 HZ3 LYS B 49 117.357 23.276 8.214 1.00 0.00 H ATOM 785 H LYS B 49 109.623 23.681 7.320 1.00 0.00 H ATOM 786 N ALA B 50 111.137 22.377 3.925 1.00 30.95 N ATOM 787 CA ALA B 50 110.904 21.127 3.214 1.00 27.92 C ATOM 788 C ALA B 50 112.152 20.728 2.431 1.00 26.11 C ATOM 789 O ALA B 50 112.121 20.622 1.203 1.00 25.36 O ATOM 790 CB ALA B 50 109.692 21.258 2.292 1.00 27.18 C ATOM 791 HA ALA B 50 110.691 20.341 3.938 1.00 0.00 H ATOM 792 HB1 ALA B 50 108.810 21.500 2.885 1.00 0.00 H ATOM 793 HB2 ALA B 50 109.873 22.052 1.567 1.00 0.00 H ATOM 794 HB3 ALA B 50 109.532 20.315 1.768 1.00 0.00 H ATOM 795 H ALA B 50 111.538 23.167 3.419 1.00 0.00 H ATOM 796 N THR B 51 113.248 20.503 3.156 1.00 24.68 N ATOM 797 CA THR B 51 114.557 20.263 2.542 1.00 23.93 C ATOM 798 C THR B 51 115.184 18.916 2.906 1.00 23.81 C ATOM 799 O THR B 51 116.161 18.491 2.277 1.00 24.61 O ATOM 800 CB THR B 51 115.542 21.390 2.916 1.00 24.41 C ATOM 801 OG1 THR B 51 115.571 21.545 4.342 1.00 25.47 O ATOM 802 CG2 THR B 51 115.053 22.745 2.404 1.00 23.53 C ATOM 803 HA THR B 51 114.372 20.247 1.468 1.00 0.00 H ATOM 804 HB THR B 51 116.507 21.119 2.488 1.00 0.00 H ATOM 805 HG1 THR B 51 116.184 22.246 4.574 1.00 0.00 H ATOM 806 HG23 THR B 51 114.998 22.723 1.316 1.00 0.00 H ATOM 807 HG21 THR B 51 114.065 22.952 2.814 1.00 0.00 H ATOM 808 HG22 THR B 51 115.749 23.523 2.718 1.00 0.00 H ATOM 809 H THR B 51 113.173 20.498 4.173 1.00 0.00 H ATOM 810 N GLU B 52 114.635 18.259 3.926 1.00 22.15 N ATOM 811 CA GLU B 52 115.194 17.012 4.445 1.00 20.88 C ATOM 812 C GLU B 52 114.123 15.940 4.633 1.00 20.92 C ATOM 813 O GLU B 52 112.940 16.254 4.769 1.00 22.04 O ATOM 814 CB GLU B 52 115.933 17.271 5.759 1.00 23.37 C ATOM 815 CG GLU B 52 117.159 18.165 5.614 1.00 25.46 C ATOM 816 CD GLU B 52 117.627 18.777 6.922 1.00 27.94 C ATOM 817 OE1 GLU B 52 117.541 18.107 7.970 1.00 27.76 O ATOM 818 OE2 GLU B 52 118.095 19.936 6.899 1.00 31.06 O ATOM 819 HA GLU B 52 115.901 16.635 3.706 1.00 0.00 H ATOM 820 HB2 GLU B 52 115.241 17.747 6.454 1.00 0.00 H ATOM 821 HB3 GLU B 52 116.254 16.312 6.167 1.00 0.00 H ATOM 822 HG2 GLU B 52 117.973 17.569 5.202 1.00 0.00 H ATOM 823 HG3 GLU B 52 116.916 18.973 4.923 1.00 0.00 H ATOM 824 H GLU B 52 113.794 18.640 4.361 1.00 0.00 H ATOM 825 N LEU B 53 114.544 14.676 4.646 1.00 20.64 N ATOM 826 CA LEU B 53 113.619 13.542 4.714 1.00 19.19 C ATOM 827 C LEU B 53 112.744 13.539 5.968 1.00 20.96 C ATOM 828 O LEU B 53 111.573 13.163 5.909 1.00 22.82 O ATOM 829 CB LEU B 53 114.367 12.208 4.579 1.00 17.22 C ATOM 830 CG LEU B 53 114.765 11.735 3.173 1.00 16.72 C ATOM 831 CD1 LEU B 53 115.438 10.369 3.244 1.00 17.41 C ATOM 832 CD2 LEU B 53 113.582 11.693 2.203 1.00 14.65 C ATOM 833 HA LEU B 53 112.944 13.662 3.867 1.00 0.00 H ATOM 834 HB2 LEU B 53 115.283 12.291 5.163 1.00 0.00 H ATOM 835 HB3 LEU B 53 113.731 11.436 5.011 1.00 0.00 H ATOM 836 HG LEU B 53 115.469 12.469 2.782 1.00 0.00 H ATOM 837 HD21 LEU B 53 112.826 11.007 2.584 1.00 0.00 H ATOM 838 HD22 LEU B 53 113.154 12.691 2.110 1.00 0.00 H ATOM 839 HD23 LEU B 53 113.926 11.351 1.227 1.00 0.00 H ATOM 840 HD11 LEU B 53 116.333 10.438 3.863 1.00 0.00 H ATOM 841 HD12 LEU B 53 114.747 9.647 3.680 1.00 0.00 H ATOM 842 HD13 LEU B 53 115.714 10.049 2.239 1.00 0.00 H ATOM 843 H LEU B 53 115.546 14.491 4.607 1.00 0.00 H ATOM 844 N LYS B 54 113.312 13.969 7.093 1.00 23.39 N ATOM 845 CA LYS B 54 112.582 14.051 8.361 1.00 22.86 C ATOM 846 C LYS B 54 111.387 15.004 8.299 1.00 21.19 C ATOM 847 O LYS B 54 110.527 14.982 9.182 1.00 22.44 O ATOM 848 CB LYS B 54 113.517 14.458 9.505 1.00 25.19 C ATOM 849 CG LYS B 54 114.007 15.899 9.446 1.00 27.92 C ATOM 850 CD LYS B 54 115.519 15.956 9.446 1.00 30.58 C ATOM 851 CE LYS B 54 116.022 16.822 10.578 1.00 35.00 C ATOM 852 NZ LYS B 54 117.456 17.177 10.389 1.00 39.32 N ATOM 853 HA LYS B 54 112.190 13.052 8.552 1.00 0.00 H ATOM 854 HB2 LYS B 54 112.984 14.319 10.445 1.00 0.00 H ATOM 855 HB3 LYS B 54 114.387 13.802 9.482 1.00 0.00 H ATOM 856 HG2 LYS B 54 113.632 16.367 8.536 1.00 0.00 H ATOM 857 HG3 LYS B 54 113.629 16.440 10.313 1.00 0.00 H ATOM 858 HD2 LYS B 54 115.915 14.947 9.564 1.00 0.00 H ATOM 859 HD3 LYS B 54 115.862 16.371 8.498 1.00 0.00 H ATOM 860 HE2 LYS B 54 115.910 16.280 11.517 1.00 0.00 H ATOM 861 HE3 LYS B 54 115.431 17.737 10.616 1.00 0.00 H ATOM 862 HZ1 LYS B 54 118.015 16.324 10.358 1.00 0.00 H ATOM 863 HZ2 LYS B 54 117.566 17.689 9.514 1.00 0.00 H ATOM 864 HZ3 LYS B 54 117.766 17.760 11.166 1.00 0.00 H ATOM 865 H LYS B 54 114.292 14.252 7.071 1.00 0.00 H ATOM 866 N HIS B 55 111.340 15.834 7.259 1.00 18.31 N ATOM 867 CA HIS B 55 110.234 16.767 7.076 1.00 16.11 C ATOM 868 C HIS B 55 109.021 16.096 6.453 1.00 14.82 C ATOM 869 O HIS B 55 107.972 16.724 6.332 1.00 17.05 O ATOM 870 CB HIS B 55 110.658 17.984 6.250 1.00 14.62 C ATOM 871 CG HIS B 55 111.778 18.769 6.861 1.00 15.90 C ATOM 872 ND1 HIS B 55 112.788 19.332 6.111 1.00 15.57 N ATOM 873 CD2 HIS B 55 112.049 19.082 8.151 1.00 16.32 C ATOM 874 CE1 HIS B 55 113.633 19.958 6.911 1.00 15.87 C ATOM 875 NE2 HIS B 55 113.207 19.822 8.153 1.00 17.25 N ATOM 876 HA HIS B 55 109.948 17.112 8.070 1.00 0.00 H ATOM 877 HB2 HIS B 55 110.977 17.638 5.267 1.00 0.00 H ATOM 878 HB3 HIS B 55 109.796 18.642 6.140 1.00 0.00 H ATOM 879 HD2 HIS B 55 111.459 18.800 9.023 1.00 0.00 H ATOM 880 HE1 HIS B 55 114.529 20.495 6.599 1.00 0.00 H ATOM 881 H HIS B 55 112.095 15.817 6.574 1.00 0.00 H ATOM 882 N LEU B 56 109.159 14.825 6.070 1.00 13.86 N ATOM 883 CA LEU B 56 108.031 14.042 5.557 1.00 14.88 C ATOM 884 C LEU B 56 106.954 13.820 6.625 1.00 17.12 C ATOM 885 O LEU B 56 105.810 13.466 6.308 1.00 16.62 O ATOM 886 CB LEU B 56 108.501 12.706 4.979 1.00 14.44 C ATOM 887 CG LEU B 56 108.965 12.731 3.520 1.00 15.52 C ATOM 888 CD1 LEU B 56 109.922 11.581 3.239 1.00 17.48 C ATOM 889 CD2 LEU B 56 107.782 12.693 2.552 1.00 15.25 C ATOM 890 HA LEU B 56 107.581 14.624 4.753 1.00 0.00 H ATOM 891 HB2 LEU B 56 109.334 12.353 5.588 1.00 0.00 H ATOM 892 HB3 LEU B 56 107.673 12.001 5.054 1.00 0.00 H ATOM 893 HG LEU B 56 109.494 13.671 3.361 1.00 0.00 H ATOM 894 HD21 LEU B 56 107.209 11.780 2.716 1.00 0.00 H ATOM 895 HD22 LEU B 56 107.144 13.560 2.726 1.00 0.00 H ATOM 896 HD23 LEU B 56 108.152 12.712 1.527 1.00 0.00 H ATOM 897 HD11 LEU B 56 110.794 11.669 3.888 1.00 0.00 H ATOM 898 HD12 LEU B 56 109.417 10.634 3.432 1.00 0.00 H ATOM 899 HD13 LEU B 56 110.238 11.619 2.197 1.00 0.00 H ATOM 900 H LEU B 56 110.077 14.385 6.136 1.00 0.00 H ATOM 901 N GLN B 57 107.333 14.038 7.884 1.00 18.64 N ATOM 902 CA GLN B 57 106.397 14.077 9.005 1.00 20.64 C ATOM 903 C GLN B 57 105.296 15.123 8.784 1.00 20.49 C ATOM 904 O GLN B 57 104.157 14.925 9.203 1.00 20.90 O ATOM 905 CB GLN B 57 107.151 14.351 10.310 1.00 23.86 C ATOM 906 CG GLN B 57 106.319 14.233 11.592 1.00 27.38 C ATOM 907 CD GLN B 57 105.787 12.826 11.854 1.00 29.50 C ATOM 908 OE1 GLN B 57 106.433 11.830 11.519 1.00 30.50 O ATOM 909 NE2 GLN B 57 104.607 12.748 12.459 1.00 29.88 N ATOM 910 HA GLN B 57 105.912 13.103 9.074 1.00 0.00 H ATOM 911 HB2 GLN B 57 107.975 13.640 10.378 1.00 0.00 H ATOM 912 HB3 GLN B 57 107.550 15.364 10.261 1.00 0.00 H ATOM 913 HG2 GLN B 57 106.943 14.527 12.436 1.00 0.00 H ATOM 914 HG3 GLN B 57 105.470 14.913 11.515 1.00 0.00 H ATOM 915 HE22 GLN B 57 104.109 13.600 12.718 1.00 0.00 H ATOM 916 HE21 GLN B 57 104.199 11.836 12.665 1.00 0.00 H ATOM 917 H GLN B 57 108.324 14.185 8.074 1.00 0.00 H ATOM 918 N CYS B 58 105.639 16.224 8.116 1.00 20.12 N ATOM 919 CA CYS B 58 104.660 17.249 7.761 1.00 21.97 C ATOM 920 C CYS B 58 103.629 16.727 6.765 1.00 21.55 C ATOM 921 O CYS B 58 102.448 17.069 6.845 1.00 21.37 O ATOM 922 CB CYS B 58 105.355 18.483 7.198 1.00 25.91 C ATOM 923 SG CYS B 58 106.479 19.268 8.359 1.00 31.56 S ATOM 924 HA CYS B 58 104.132 17.523 8.674 1.00 0.00 H ATOM 925 HB2 CYS B 58 104.593 19.208 6.912 1.00 0.00 H ATOM 926 HB3 CYS B 58 105.922 18.187 6.315 1.00 0.00 H ATOM 927 H CYS B 58 106.613 16.355 7.845 1.00 0.00 H ATOM 928 N LEU B 59 104.081 15.895 5.831 1.00 20.62 N ATOM 929 CA LEU B 59 103.179 15.249 4.886 1.00 18.94 C ATOM 930 C LEU B 59 102.348 14.185 5.603 1.00 21.84 C ATOM 931 O LEU B 59 101.117 14.174 5.494 1.00 21.87 O ATOM 932 CB LEU B 59 103.961 14.650 3.712 1.00 15.20 C ATOM 933 CG LEU B 59 103.193 13.855 2.654 1.00 13.83 C ATOM 934 CD1 LEU B 59 102.171 14.719 1.938 1.00 13.29 C ATOM 935 CD2 LEU B 59 104.160 13.236 1.659 1.00 14.34 C ATOM 936 HA LEU B 59 102.499 15.997 4.478 1.00 0.00 H ATOM 937 HB2 LEU B 59 104.455 15.475 3.199 1.00 0.00 H ATOM 938 HB3 LEU B 59 104.713 13.983 4.133 1.00 0.00 H ATOM 939 HG LEU B 59 102.650 13.059 3.163 1.00 0.00 H ATOM 940 HD21 LEU B 59 104.730 14.025 1.169 1.00 0.00 H ATOM 941 HD22 LEU B 59 104.841 12.567 2.185 1.00 0.00 H ATOM 942 HD23 LEU B 59 103.600 12.673 0.912 1.00 0.00 H ATOM 943 HD11 LEU B 59 101.456 15.109 2.662 1.00 0.00 H ATOM 944 HD12 LEU B 59 102.679 15.548 1.445 1.00 0.00 H ATOM 945 HD13 LEU B 59 101.646 14.119 1.195 1.00 0.00 H ATOM 946 H LEU B 59 105.082 15.705 5.775 1.00 0.00 H ATOM 947 N GLU B 60 103.030 13.316 6.352 1.00 25.00 N ATOM 948 CA GLU B 60 102.386 12.249 7.119 1.00 28.36 C ATOM 949 C GLU B 60 101.219 12.766 7.963 1.00 28.44 C ATOM 950 O GLU B 60 100.130 12.193 7.935 1.00 31.10 O ATOM 951 CB GLU B 60 103.413 11.515 7.995 1.00 31.11 C ATOM 952 CG GLU B 60 102.828 10.812 9.214 1.00 36.41 C ATOM 953 CD GLU B 60 103.075 9.317 9.209 1.00 40.49 C ATOM 954 OE1 GLU B 60 104.125 8.881 9.737 1.00 42.97 O ATOM 955 OE2 GLU B 60 102.217 8.578 8.681 1.00 40.71 O ATOM 956 HA GLU B 60 101.971 11.541 6.401 1.00 0.00 H ATOM 957 HB2 GLU B 60 103.912 10.767 7.379 1.00 0.00 H ATOM 958 HB3 GLU B 60 104.145 12.244 8.343 1.00 0.00 H ATOM 959 HG2 GLU B 60 103.280 11.236 10.111 1.00 0.00 H ATOM 960 HG3 GLU B 60 101.752 10.987 9.233 1.00 0.00 H ATOM 961 H GLU B 60 104.046 13.399 6.392 1.00 0.00 H ATOM 962 N GLU B 61 101.451 13.861 8.686 1.00 27.40 N ATOM 963 CA GLU B 61 100.462 14.419 9.605 1.00 27.21 C ATOM 964 C GLU B 61 99.293 15.104 8.895 1.00 24.30 C ATOM 965 O GLU B 61 98.299 15.456 9.528 1.00 25.71 O ATOM 966 CB GLU B 61 101.132 15.382 10.591 1.00 30.96 C ATOM 967 CG GLU B 61 101.276 14.819 11.996 1.00 37.03 C ATOM 968 CD GLU B 61 102.248 15.610 12.853 1.00 40.94 C ATOM 969 OE1 GLU B 61 101.845 16.661 13.395 1.00 44.13 O ATOM 970 OE2 GLU B 61 103.413 15.178 12.991 1.00 40.76 O ATOM 971 HA GLU B 61 100.037 13.577 10.151 1.00 0.00 H ATOM 972 HB2 GLU B 61 102.126 15.624 10.214 1.00 0.00 H ATOM 973 HB3 GLU B 61 100.533 16.291 10.644 1.00 0.00 H ATOM 974 HG2 GLU B 61 100.298 14.831 12.478 1.00 0.00 H ATOM 975 HG3 GLU B 61 101.632 13.791 11.924 1.00 0.00 H ATOM 976 H GLU B 61 102.354 14.327 8.594 1.00 0.00 H ATOM 977 N GLU B 62 99.414 15.282 7.583 1.00 21.48 N ATOM 978 CA GLU B 62 98.343 15.871 6.787 1.00 18.40 C ATOM 979 C GLU B 62 97.662 14.865 5.847 1.00 17.21 C ATOM 980 O GLU B 62 96.854 15.246 4.997 1.00 15.78 O ATOM 981 CB GLU B 62 98.861 17.087 6.014 1.00 16.48 C ATOM 982 CG GLU B 62 98.927 18.360 6.842 1.00 15.75 C ATOM 983 CD GLU B 62 97.554 18.887 7.230 1.00 15.42 C ATOM 984 OE1 GLU B 62 96.998 19.715 6.483 1.00 14.72 O ATOM 985 OE2 GLU B 62 97.036 18.478 8.288 1.00 15.47 O ATOM 986 HA GLU B 62 97.572 16.195 7.486 1.00 0.00 H ATOM 987 HB2 GLU B 62 99.863 16.861 5.650 1.00 0.00 H ATOM 988 HB3 GLU B 62 98.199 17.263 5.166 1.00 0.00 H ATOM 989 HG2 GLU B 62 99.491 18.154 7.752 1.00 0.00 H ATOM 990 HG3 GLU B 62 99.442 19.126 6.262 1.00 0.00 H ATOM 991 H GLU B 62 100.278 14.999 7.121 1.00 0.00 H ATOM 992 N LEU B 63 97.973 13.584 6.018 1.00 18.05 N ATOM 993 CA LEU B 63 97.366 12.530 5.205 1.00 20.83 C ATOM 994 C LEU B 63 95.907 12.245 5.574 1.00 24.84 C ATOM 995 O LEU B 63 95.137 11.770 4.736 1.00 25.99 O ATOM 996 CB LEU B 63 98.194 11.246 5.274 1.00 19.77 C ATOM 997 CG LEU B 63 99.540 11.267 4.551 1.00 17.98 C ATOM 998 CD1 LEU B 63 100.281 9.976 4.813 1.00 19.11 C ATOM 999 CD2 LEU B 63 99.369 11.496 3.059 1.00 15.51 C ATOM 1000 HA LEU B 63 97.361 12.902 4.180 1.00 0.00 H ATOM 1001 HB2 LEU B 63 98.385 11.030 6.325 1.00 0.00 H ATOM 1002 HB3 LEU B 63 97.597 10.443 4.842 1.00 0.00 H ATOM 1003 HG LEU B 63 100.125 12.100 4.941 1.00 0.00 H ATOM 1004 HD21 LEU B 63 98.763 10.694 2.637 1.00 0.00 H ATOM 1005 HD22 LEU B 63 98.874 12.453 2.894 1.00 0.00 H ATOM 1006 HD23 LEU B 63 100.348 11.505 2.579 1.00 0.00 H ATOM 1007 HD11 LEU B 63 100.448 9.865 5.884 1.00 0.00 H ATOM 1008 HD12 LEU B 63 99.688 9.138 4.448 1.00 0.00 H ATOM 1009 HD13 LEU B 63 101.240 9.997 4.295 1.00 0.00 H ATOM 1010 H LEU B 63 98.653 13.329 6.735 1.00 0.00 H ATOM 1011 N LYS B 64 95.533 12.528 6.821 1.00 28.89 N ATOM 1012 CA LYS B 64 94.141 12.393 7.253 1.00 32.34 C ATOM 1013 C LYS B 64 93.208 13.410 6.572 1.00 29.94 C ATOM 1014 O LYS B 64 92.187 13.005 6.008 1.00 31.35 O ATOM 1015 CB LYS B 64 94.009 12.447 8.783 1.00 38.46 C ATOM 1016 CG LYS B 64 93.819 11.082 9.453 1.00 45.21 C ATOM 1017 CD LYS B 64 92.544 10.373 8.986 1.00 49.29 C ATOM 1018 CE LYS B 64 91.446 10.443 10.038 1.00 53.07 C ATOM 1019 NZ LYS B 64 90.122 10.738 9.419 1.00 54.58 N ATOM 1020 HA LYS B 64 93.816 11.404 6.929 1.00 0.00 H ATOM 1021 HB2 LYS B 64 94.913 12.902 9.187 1.00 0.00 H ATOM 1022 HB3 LYS B 64 93.149 13.070 9.029 1.00 0.00 H ATOM 1023 HG2 LYS B 64 94.677 10.453 9.215 1.00 0.00 H ATOM 1024 HG3 LYS B 64 93.764 11.226 10.532 1.00 0.00 H ATOM 1025 HD2 LYS B 64 92.189 10.849 8.072 1.00 0.00 H ATOM 1026 HD3 LYS B 64 92.774 9.327 8.784 1.00 0.00 H ATOM 1027 HE2 LYS B 64 91.688 11.230 10.752 1.00 0.00 H ATOM 1028 HE3 LYS B 64 91.390 9.487 10.558 1.00 0.00 H ATOM 1029 HZ1 LYS B 64 90.167 11.635 8.935 1.00 0.00 H ATOM 1030 HZ2 LYS B 64 89.888 10.002 8.753 1.00 0.00 H ATOM 1031 HZ3 LYS B 64 89.409 10.778 10.147 1.00 0.00 H ATOM 1032 H LYS B 64 96.233 12.846 7.491 1.00 0.00 H ATOM 1033 N PRO B 65 93.539 14.707 6.618 1.00 26.38 N ATOM 1034 CA PRO B 65 92.786 15.717 5.858 1.00 25.95 C ATOM 1035 C PRO B 65 92.768 15.437 4.354 1.00 26.03 C ATOM 1036 O PRO B 65 91.740 15.672 3.711 1.00 27.85 O ATOM 1037 CB PRO B 65 93.552 17.015 6.139 1.00 24.80 C ATOM 1038 CG PRO B 65 94.252 16.774 7.404 1.00 24.79 C ATOM 1039 CD PRO B 65 94.615 15.328 7.412 1.00 25.75 C ATOM 1040 HA PRO B 65 91.738 15.741 6.155 1.00 0.00 H ATOM 1041 HD3 PRO B 65 95.588 15.166 6.947 1.00 0.00 H ATOM 1042 HD2 PRO B 65 94.629 14.934 8.428 1.00 0.00 H ATOM 1043 HG3 PRO B 65 93.600 17.005 8.246 1.00 0.00 H ATOM 1044 HG2 PRO B 65 95.150 17.389 7.462 1.00 0.00 H ATOM 1045 HB2 PRO B 65 94.264 17.221 5.340 1.00 0.00 H ATOM 1046 HB3 PRO B 65 92.863 17.854 6.236 1.00 0.00 H ATOM 1047 N LEU B 66 93.881 14.943 3.814 1.00 23.00 N ATOM 1048 CA LEU B 66 93.961 14.574 2.405 1.00 21.39 C ATOM 1049 C LEU B 66 92.896 13.534 2.061 1.00 22.11 C ATOM 1050 O LEU B 66 92.131 13.716 1.109 1.00 21.52 O ATOM 1051 CB LEU B 66 95.365 14.060 2.057 1.00 20.33 C ATOM 1052 CG LEU B 66 95.739 13.802 0.592 1.00 18.18 C ATOM 1053 CD1 LEU B 66 95.552 15.043 -0.270 1.00 16.52 C ATOM 1054 CD2 LEU B 66 97.170 13.292 0.493 1.00 17.03 C ATOM 1055 HA LEU B 66 93.771 15.464 1.805 1.00 0.00 H ATOM 1056 HB2 LEU B 66 96.074 14.794 2.440 1.00 0.00 H ATOM 1057 HB3 LEU B 66 95.497 13.117 2.588 1.00 0.00 H ATOM 1058 HG LEU B 66 95.063 13.037 0.210 1.00 0.00 H ATOM 1059 HD21 LEU B 66 97.849 14.037 0.908 1.00 0.00 H ATOM 1060 HD22 LEU B 66 97.262 12.362 1.053 1.00 0.00 H ATOM 1061 HD23 LEU B 66 97.419 13.114 -0.553 1.00 0.00 H ATOM 1062 HD11 LEU B 66 94.508 15.355 -0.234 1.00 0.00 H ATOM 1063 HD12 LEU B 66 96.186 15.845 0.108 1.00 0.00 H ATOM 1064 HD13 LEU B 66 95.829 14.814 -1.299 1.00 0.00 H ATOM 1065 H LEU B 66 94.703 14.819 4.404 1.00 0.00 H ATOM 1066 N GLU B 67 92.839 12.465 2.857 1.00 22.68 N ATOM 1067 CA GLU B 67 91.840 11.407 2.684 1.00 23.99 C ATOM 1068 C GLU B 67 90.408 11.928 2.800 1.00 23.79 C ATOM 1069 O GLU B 67 89.519 11.457 2.092 1.00 23.65 O ATOM 1070 CB GLU B 67 92.062 10.273 3.688 1.00 25.18 C ATOM 1071 CG GLU B 67 91.446 8.947 3.259 1.00 27.87 C ATOM 1072 CD GLU B 67 91.763 7.798 4.203 1.00 30.11 C ATOM 1073 OE1 GLU B 67 92.869 7.782 4.793 1.00 31.04 O ATOM 1074 OE2 GLU B 67 90.904 6.901 4.349 1.00 31.17 O ATOM 1075 HA GLU B 67 91.971 11.023 1.672 1.00 0.00 H ATOM 1076 HB2 GLU B 67 93.135 10.130 3.814 1.00 0.00 H ATOM 1077 HB3 GLU B 67 91.621 10.565 4.641 1.00 0.00 H ATOM 1078 HG2 GLU B 67 90.364 9.068 3.213 1.00 0.00 H ATOM 1079 HG3 GLU B 67 91.825 8.695 2.268 1.00 0.00 H ATOM 1080 H GLU B 67 93.517 12.381 3.615 1.00 0.00 H ATOM 1081 N GLU B 68 90.198 12.896 3.692 1.00 23.82 N ATOM 1082 CA GLU B 68 88.886 13.515 3.880 1.00 24.94 C ATOM 1083 C GLU B 68 88.449 14.266 2.624 1.00 22.30 C ATOM 1084 O GLU B 68 87.296 14.162 2.196 1.00 21.81 O ATOM 1085 CB GLU B 68 88.904 14.460 5.083 1.00 27.51 C ATOM 1086 CG GLU B 68 87.540 14.699 5.713 1.00 31.57 C ATOM 1087 CD GLU B 68 87.515 15.915 6.621 1.00 34.41 C ATOM 1088 OE1 GLU B 68 88.423 16.043 7.473 1.00 36.26 O ATOM 1089 OE2 GLU B 68 86.585 16.742 6.485 1.00 34.52 O ATOM 1090 HA GLU B 68 88.165 12.720 4.071 1.00 0.00 H ATOM 1091 HB2 GLU B 68 89.561 14.034 5.842 1.00 0.00 H ATOM 1092 HB3 GLU B 68 89.302 15.421 4.757 1.00 0.00 H ATOM 1093 HG2 GLU B 68 86.809 14.843 4.917 1.00 0.00 H ATOM 1094 HG3 GLU B 68 87.268 13.821 6.299 1.00 0.00 H ATOM 1095 H GLU B 68 90.980 13.216 4.264 1.00 0.00 H ATOM 1096 N VAL B 69 89.385 15.010 2.039 1.00 19.26 N ATOM 1097 CA VAL B 69 89.133 15.783 0.829 1.00 17.13 C ATOM 1098 C VAL B 69 88.916 14.853 -0.362 1.00 17.52 C ATOM 1099 O VAL B 69 87.995 15.062 -1.150 1.00 18.95 O ATOM 1100 CB VAL B 69 90.286 16.777 0.544 1.00 16.11 C ATOM 1101 CG1 VAL B 69 90.065 17.509 -0.766 1.00 15.80 C ATOM 1102 CG2 VAL B 69 90.415 17.774 1.681 1.00 15.68 C ATOM 1103 HA VAL B 69 88.225 16.366 0.986 1.00 0.00 H ATOM 1104 HB VAL B 69 91.211 16.205 0.464 1.00 0.00 H ATOM 1105 HG11 VAL B 69 90.017 16.787 -1.581 1.00 0.00 H ATOM 1106 HG12 VAL B 69 89.129 18.065 -0.717 1.00 0.00 H ATOM 1107 HG13 VAL B 69 90.891 18.199 -0.939 1.00 0.00 H ATOM 1108 HG21 VAL B 69 89.483 18.329 1.783 1.00 0.00 H ATOM 1109 HG22 VAL B 69 90.625 17.241 2.608 1.00 0.00 H ATOM 1110 HG23 VAL B 69 91.230 18.466 1.466 1.00 0.00 H ATOM 1111 H VAL B 69 90.316 15.040 2.454 1.00 0.00 H ATOM 1112 N LEU B 70 89.753 13.823 -0.473 1.00 17.91 N ATOM 1113 CA LEU B 70 89.651 12.847 -1.558 1.00 18.92 C ATOM 1114 C LEU B 70 88.304 12.126 -1.559 1.00 22.02 C ATOM 1115 O LEU B 70 87.722 11.894 -2.621 1.00 23.55 O ATOM 1116 CB LEU B 70 90.798 11.833 -1.493 1.00 18.82 C ATOM 1117 CG LEU B 70 92.211 12.319 -1.838 1.00 17.52 C ATOM 1118 CD1 LEU B 70 93.237 11.209 -1.642 1.00 17.50 C ATOM 1119 CD2 LEU B 70 92.280 12.854 -3.250 1.00 16.25 C ATOM 1120 HA LEU B 70 89.727 13.403 -2.492 1.00 0.00 H ATOM 1121 HB2 LEU B 70 90.829 11.443 -0.476 1.00 0.00 H ATOM 1122 HB3 LEU B 70 90.556 11.025 -2.183 1.00 0.00 H ATOM 1123 HG LEU B 70 92.450 13.133 -1.154 1.00 0.00 H ATOM 1124 HD21 LEU B 70 92.004 12.065 -3.950 1.00 0.00 H ATOM 1125 HD22 LEU B 70 91.590 13.692 -3.354 1.00 0.00 H ATOM 1126 HD23 LEU B 70 93.295 13.190 -3.461 1.00 0.00 H ATOM 1127 HD11 LEU B 70 93.224 10.884 -0.602 1.00 0.00 H ATOM 1128 HD12 LEU B 70 92.989 10.368 -2.290 1.00 0.00 H ATOM 1129 HD13 LEU B 70 94.229 11.584 -1.895 1.00 0.00 H ATOM 1130 H LEU B 70 90.491 13.711 0.223 1.00 0.00 H ATOM 1131 N ASN B 71 87.817 11.779 -0.369 1.00 24.28 N ATOM 1132 CA ASN B 71 86.496 11.173 -0.211 1.00 27.04 C ATOM 1133 C ASN B 71 85.357 12.139 -0.563 1.00 28.27 C ATOM 1134 O ASN B 71 84.339 11.725 -1.121 1.00 28.94 O ATOM 1135 CB ASN B 71 86.319 10.615 1.207 1.00 28.99 C ATOM 1136 CG ASN B 71 86.832 9.183 1.345 1.00 32.24 C ATOM 1137 OD1 ASN B 71 87.866 8.936 1.971 1.00 33.06 O ATOM 1138 ND2 ASN B 71 86.107 8.234 0.760 1.00 33.49 N ATOM 1139 HA ASN B 71 86.440 10.349 -0.922 1.00 0.00 H ATOM 1140 HB2 ASN B 71 86.866 11.251 1.903 1.00 0.00 H ATOM 1141 HB3 ASN B 71 85.259 10.632 1.459 1.00 0.00 H ATOM 1142 HD22 ASN B 71 85.258 8.481 0.252 1.00 0.00 H ATOM 1143 HD21 ASN B 71 86.400 7.259 0.820 1.00 0.00 H ATOM 1144 H ASN B 71 88.386 11.942 0.462 1.00 0.00 H ATOM 1145 N LEU B 72 85.542 13.421 -0.247 1.00 28.34 N ATOM 1146 CA LEU B 72 84.543 14.448 -0.552 1.00 30.23 C ATOM 1147 C LEU B 72 84.561 14.867 -2.026 1.00 31.12 C ATOM 1148 O LEU B 72 83.569 15.401 -2.536 1.00 30.65 O ATOM 1149 CB LEU B 72 84.717 15.675 0.354 1.00 29.88 C ATOM 1150 CG LEU B 72 84.209 15.594 1.799 1.00 31.12 C ATOM 1151 CD1 LEU B 72 84.907 16.622 2.674 1.00 30.36 C ATOM 1152 CD2 LEU B 72 82.700 15.771 1.878 1.00 32.65 C ATOM 1153 HA LEU B 72 83.569 14.000 -0.355 1.00 0.00 H ATOM 1154 HB2 LEU B 72 85.784 15.894 0.399 1.00 0.00 H ATOM 1155 HB3 LEU B 72 84.197 16.505 -0.124 1.00 0.00 H ATOM 1156 HG LEU B 72 84.446 14.597 2.170 1.00 0.00 H ATOM 1157 HD21 LEU B 72 82.428 16.746 1.473 1.00 0.00 H ATOM 1158 HD22 LEU B 72 82.213 14.987 1.299 1.00 0.00 H ATOM 1159 HD23 LEU B 72 82.382 15.707 2.919 1.00 0.00 H ATOM 1160 HD11 LEU B 72 85.981 16.434 2.667 1.00 0.00 H ATOM 1161 HD12 LEU B 72 84.709 17.621 2.287 1.00 0.00 H ATOM 1162 HD13 LEU B 72 84.530 16.545 3.694 1.00 0.00 H ATOM 1163 H LEU B 72 86.406 13.695 0.221 1.00 0.00 H ATOM 1164 N ALA B 73 85.686 14.623 -2.698 1.00 31.31 N ATOM 1165 CA ALA B 73 85.854 14.975 -4.109 1.00 31.53 C ATOM 1166 C ALA B 73 85.539 13.814 -5.056 1.00 34.36 C ATOM 1167 O ALA B 73 85.813 13.890 -6.256 1.00 35.39 O ATOM 1168 CB ALA B 73 87.260 15.504 -4.361 1.00 29.90 C ATOM 1169 HA ALA B 73 85.129 15.759 -4.326 1.00 0.00 H ATOM 1170 HB1 ALA B 73 87.428 16.392 -3.751 1.00 0.00 H ATOM 1171 HB2 ALA B 73 87.988 14.737 -4.097 1.00 0.00 H ATOM 1172 HB3 ALA B 73 87.367 15.761 -5.415 1.00 0.00 H ATOM 1173 H ALA B 73 86.460 14.173 -2.210 1.00 0.00 H ATOM 1174 N GLN B 74 84.959 12.749 -4.509 1.00 37.54 N ATOM 1175 CA GLN B 74 84.571 11.581 -5.289 1.00 41.00 C ATOM 1176 C GLN B 74 83.424 11.905 -6.242 1.00 44.82 C ATOM 1177 O GLN B 74 82.349 12.337 -5.817 1.00 45.22 O ATOM 1178 CB GLN B 74 84.182 10.425 -4.363 1.00 41.20 C ATOM 1179 CG GLN B 74 84.538 9.045 -4.902 1.00 42.04 C ATOM 1180 CD GLN B 74 85.982 8.648 -4.629 1.00 41.20 C ATOM 1181 OE1 GLN B 74 86.697 9.328 -3.893 1.00 39.26 O ATOM 1182 NE2 GLN B 74 86.409 7.542 -5.223 1.00 42.28 N ATOM 1183 HA GLN B 74 85.430 11.280 -5.888 1.00 0.00 H ATOM 1184 HB2 GLN B 74 84.694 10.563 -3.411 1.00 0.00 H ATOM 1185 HB3 GLN B 74 83.104 10.462 -4.204 1.00 0.00 H ATOM 1186 HG2 GLN B 74 83.882 8.311 -4.434 1.00 0.00 H ATOM 1187 HG3 GLN B 74 84.375 9.041 -5.980 1.00 0.00 H ATOM 1188 HE22 GLN B 74 85.780 7.011 -5.825 1.00 0.00 H ATOM 1189 HE21 GLN B 74 87.367 7.222 -5.078 1.00 0.00 H ATOM 1190 H GLN B 74 84.779 12.750 -3.505 1.00 0.00 H ATOM 1191 N SER B 75 83.678 11.710 -7.533 1.00 49.35 N ATOM 1192 CA SER B 75 82.673 11.883 -8.577 1.00 54.36 C ATOM 1193 C SER B 75 83.052 11.041 -9.795 1.00 57.32 C ATOM 1194 O SER B 75 83.358 9.853 -9.663 1.00 59.26 O ATOM 1195 CB SER B 75 82.530 13.361 -8.957 1.00 56.18 C ATOM 1196 OG SER B 75 81.337 13.586 -9.694 1.00 59.56 O ATOM 1197 HA SER B 75 81.708 11.545 -8.200 1.00 0.00 H ATOM 1198 HB2 SER B 75 83.385 13.657 -9.564 1.00 0.00 H ATOM 1199 HB3 SER B 75 82.506 13.962 -8.048 1.00 0.00 H ATOM 1200 HG SER B 75 81.272 14.517 -9.919 1.00 0.00 H ATOM 1201 H SER B 75 84.619 11.426 -7.806 1.00 0.00 H ATOM 1202 N LYS B 76 83.017 11.659 -10.974 1.00 59.53 N ATOM 1203 CA LYS B 76 83.482 11.033 -12.207 1.00 61.61 C ATOM 1204 C LYS B 76 84.519 11.954 -12.845 1.00 61.23 C ATOM 1205 O LYS B 76 84.255 13.141 -13.059 1.00 61.09 O ATOM 1206 CB LYS B 76 82.316 10.765 -13.161 1.00 63.85 C ATOM 1207 CG LYS B 76 82.324 9.365 -13.765 1.00 67.33 C ATOM 1208 CD LYS B 76 81.631 9.349 -15.126 1.00 70.26 C ATOM 1209 CE LYS B 76 82.075 8.149 -15.962 1.00 72.47 C ATOM 1210 NZ LYS B 76 80.963 7.598 -16.789 1.00 74.34 N ATOM 1211 HA LYS B 76 83.935 10.066 -11.986 1.00 0.00 H ATOM 1212 HB2 LYS B 76 81.384 10.897 -12.611 1.00 0.00 H ATOM 1213 HB3 LYS B 76 82.363 11.490 -13.973 1.00 0.00 H ATOM 1214 HG2 LYS B 76 83.356 9.035 -13.887 1.00 0.00 H ATOM 1215 HG3 LYS B 76 81.803 8.684 -13.092 1.00 0.00 H ATOM 1216 HD2 LYS B 76 80.553 9.297 -14.975 1.00 0.00 H ATOM 1217 HD3 LYS B 76 81.878 10.266 -15.661 1.00 0.00 H ATOM 1218 HE2 LYS B 76 82.436 7.368 -15.292 1.00 0.00 H ATOM 1219 HE3 LYS B 76 82.884 8.461 -16.623 1.00 0.00 H ATOM 1220 HZ1 LYS B 76 80.204 7.297 -16.178 1.00 0.00 H ATOM 1221 HZ2 LYS B 76 80.623 8.320 -17.424 1.00 0.00 H ATOM 1222 HZ3 LYS B 76 81.304 6.802 -17.328 1.00 0.00 H ATOM 1223 H LYS B 76 82.650 12.610 -11.017 1.00 0.00 H ATOM 1224 N ASN B 77 85.684 11.381 -13.151 1.00 61.22 N ATOM 1225 CA ASN B 77 86.924 12.102 -13.476 1.00 60.58 C ATOM 1226 C ASN B 77 87.938 11.826 -12.369 1.00 59.23 C ATOM 1227 O ASN B 77 89.144 11.728 -12.622 1.00 58.48 O ATOM 1228 CB ASN B 77 86.707 13.613 -13.666 1.00 60.18 C ATOM 1229 CG ASN B 77 88.010 14.395 -13.727 1.00 60.46 C ATOM 1230 OD1 ASN B 77 88.897 14.094 -14.529 1.00 61.01 O ATOM 1231 ND2 ASN B 77 88.130 15.407 -12.873 1.00 60.44 N ATOM 1232 HA ASN B 77 87.297 11.740 -14.434 1.00 0.00 H ATOM 1233 HB2 ASN B 77 86.162 13.772 -14.596 1.00 0.00 H ATOM 1234 HB3 ASN B 77 86.115 13.987 -12.831 1.00 0.00 H ATOM 1235 HD22 ASN B 77 87.371 15.621 -12.226 1.00 0.00 H ATOM 1236 HD21 ASN B 77 88.981 15.969 -12.865 1.00 0.00 H ATOM 1237 H ASN B 77 85.718 10.362 -13.160 1.00 0.00 H ATOM 1238 N PHE B 78 87.429 11.718 -11.141 1.00 58.75 N ATOM 1239 CA PHE B 78 88.181 11.139 -10.032 1.00 58.19 C ATOM 1240 C PHE B 78 87.415 9.983 -9.389 1.00 59.17 C ATOM 1241 O PHE B 78 86.316 10.159 -8.853 1.00 58.09 O ATOM 1242 CB PHE B 78 88.587 12.185 -8.993 1.00 55.76 C ATOM 1243 CG PHE B 78 89.714 11.735 -8.112 1.00 54.59 C ATOM 1244 CD1 PHE B 78 90.957 11.421 -8.658 1.00 54.20 C ATOM 1245 CD2 PHE B 78 89.529 11.598 -6.742 1.00 54.10 C ATOM 1246 CE1 PHE B 78 92.001 10.990 -7.853 1.00 53.67 C ATOM 1247 CE2 PHE B 78 90.567 11.167 -5.927 1.00 53.93 C ATOM 1248 CZ PHE B 78 91.808 10.864 -6.484 1.00 53.83 C ATOM 1249 HA PHE B 78 89.105 10.740 -10.451 1.00 0.00 H ATOM 1250 HB2 PHE B 78 88.895 13.091 -9.515 1.00 0.00 H ATOM 1251 HB3 PHE B 78 87.723 12.405 -8.366 1.00 0.00 H ATOM 1252 HD2 PHE B 78 88.559 11.831 -6.303 1.00 0.00 H ATOM 1253 HE2 PHE B 78 90.412 11.066 -4.853 1.00 0.00 H ATOM 1254 HZ PHE B 78 92.626 10.529 -5.846 1.00 0.00 H ATOM 1255 HE1 PHE B 78 92.969 10.751 -8.293 1.00 0.00 H ATOM 1256 HD1 PHE B 78 91.111 11.515 -9.733 1.00 0.00 H ATOM 1257 H PHE B 78 86.480 12.052 -10.971 1.00 0.00 H ATOM 1258 N HIS B 79 88.035 8.806 -9.439 1.00 61.20 N ATOM 1259 CA HIS B 79 87.356 7.536 -9.201 1.00 63.02 C ATOM 1260 C HIS B 79 88.008 6.710 -8.091 1.00 59.12 C ATOM 1261 O HIS B 79 87.323 5.983 -7.369 1.00 57.74 O ATOM 1262 CB HIS B 79 87.377 6.718 -10.499 1.00 68.85 C ATOM 1263 CG HIS B 79 86.020 6.382 -11.035 1.00 73.68 C ATOM 1264 ND1 HIS B 79 85.605 5.082 -11.240 1.00 77.15 N ATOM 1265 CD2 HIS B 79 84.991 7.172 -11.425 1.00 75.22 C ATOM 1266 CE1 HIS B 79 84.376 5.085 -11.725 1.00 78.99 C ATOM 1267 NE2 HIS B 79 83.979 6.340 -11.846 1.00 78.31 N ATOM 1268 HA HIS B 79 86.339 7.764 -8.883 1.00 0.00 H ATOM 1269 HB2 HIS B 79 87.911 7.292 -11.256 1.00 0.00 H ATOM 1270 HB3 HIS B 79 87.910 5.786 -10.308 1.00 0.00 H ATOM 1271 HD2 HIS B 79 84.969 8.262 -11.408 1.00 0.00 H ATOM 1272 HE1 HIS B 79 83.789 4.203 -11.982 1.00 0.00 H ATOM 1273 H HIS B 79 89.032 8.791 -9.654 1.00 0.00 H ATOM 1274 N LEU B 80 89.330 6.833 -7.970 1.00 55.87 N ATOM 1275 CA LEU B 80 90.154 5.944 -7.146 1.00 53.87 C ATOM 1276 C LEU B 80 89.810 5.962 -5.657 1.00 52.31 C ATOM 1277 O LEU B 80 89.468 7.008 -5.103 1.00 50.99 O ATOM 1278 CB LEU B 80 91.642 6.259 -7.345 1.00 52.38 C ATOM 1279 CG LEU B 80 92.142 6.441 -8.782 1.00 51.75 C ATOM 1280 CD1 LEU B 80 93.108 7.614 -8.865 1.00 50.34 C ATOM 1281 CD2 LEU B 80 92.791 5.164 -9.303 1.00 52.36 C ATOM 1282 HA LEU B 80 89.930 4.935 -7.492 1.00 0.00 H ATOM 1283 HB2 LEU B 80 91.855 7.182 -6.806 1.00 0.00 H ATOM 1284 HB3 LEU B 80 92.211 5.441 -6.902 1.00 0.00 H ATOM 1285 HG LEU B 80 91.282 6.658 -9.416 1.00 0.00 H ATOM 1286 HD21 LEU B 80 93.638 4.904 -8.669 1.00 0.00 H ATOM 1287 HD22 LEU B 80 92.061 4.354 -9.287 1.00 0.00 H ATOM 1288 HD23 LEU B 80 93.136 5.324 -10.325 1.00 0.00 H ATOM 1289 HD11 LEU B 80 92.600 8.525 -8.548 1.00 0.00 H ATOM 1290 HD12 LEU B 80 93.961 7.427 -8.213 1.00 0.00 H ATOM 1291 HD13 LEU B 80 93.452 7.728 -9.893 1.00 0.00 H ATOM 1292 H LEU B 80 89.793 7.586 -8.478 1.00 0.00 H ATOM 1293 N ARG B 81 89.908 4.791 -5.025 1.00 52.42 N ATOM 1294 CA ARG B 81 89.626 4.632 -3.599 1.00 52.02 C ATOM 1295 C ARG B 81 90.666 5.365 -2.744 1.00 50.41 C ATOM 1296 O ARG B 81 91.863 5.069 -2.831 1.00 49.80 O ATOM 1297 CB ARG B 81 89.559 3.147 -3.224 1.00 52.61 C ATOM 1298 HA ARG B 81 88.654 5.081 -3.396 1.00 0.00 H ATOM 1299 HB2 ARG B 81 88.767 2.664 -3.797 1.00 0.00 H ATOM 1300 HB3 ARG B 81 90.514 2.673 -3.451 1.00 0.00 H ATOM 1301 H ARG B 81 90.192 3.970 -5.560 1.00 0.00 H ATOM 1302 N PRO B 82 90.207 6.322 -1.931 1.00 49.48 N ATOM 1303 CA PRO B 82 91.102 7.170 -1.131 1.00 48.37 C ATOM 1304 C PRO B 82 91.912 6.418 -0.071 1.00 49.40 C ATOM 1305 O PRO B 82 93.045 6.818 0.196 1.00 48.08 O ATOM 1306 CB PRO B 82 90.141 8.163 -0.465 1.00 47.40 C ATOM 1307 CG PRO B 82 88.911 8.112 -1.296 1.00 47.87 C ATOM 1308 CD PRO B 82 88.791 6.681 -1.724 1.00 49.33 C ATOM 1309 HA PRO B 82 91.866 7.625 -1.761 1.00 0.00 H ATOM 1310 HD3 PRO B 82 88.333 6.069 -0.947 1.00 0.00 H ATOM 1311 HD2 PRO B 82 88.216 6.586 -2.645 1.00 0.00 H ATOM 1312 HG3 PRO B 82 89.007 8.765 -2.164 1.00 0.00 H ATOM 1313 HG2 PRO B 82 88.041 8.412 -0.712 1.00 0.00 H ATOM 1314 HB2 PRO B 82 89.926 7.861 0.560 1.00 0.00 H ATOM 1315 HB3 PRO B 82 90.564 9.167 -0.466 1.00 0.00 H ATOM 1316 N ARG B 83 91.351 5.356 0.508 1.00 51.41 N ATOM 1317 CA ARG B 83 92.046 4.587 1.542 1.00 53.64 C ATOM 1318 C ARG B 83 93.250 3.822 0.993 1.00 51.40 C ATOM 1319 O ARG B 83 94.263 3.690 1.677 1.00 50.52 O ATOM 1320 CB ARG B 83 91.090 3.631 2.264 1.00 59.47 C ATOM 1321 CG ARG B 83 91.481 3.340 3.715 1.00 64.95 C ATOM 1322 CD ARG B 83 91.434 1.862 4.100 1.00 71.32 C ATOM 1323 NE ARG B 83 90.068 1.408 4.379 1.00 77.02 N ATOM 1324 CZ ARG B 83 89.725 0.565 5.353 1.00 79.98 C ATOM 1325 NH1 ARG B 83 90.642 0.057 6.172 1.00 80.67 N ATOM 1326 NH2 ARG B 83 88.451 0.228 5.510 1.00 81.83 N ATOM 1327 HA ARG B 83 92.423 5.313 2.262 1.00 0.00 H ATOM 1328 HB2 ARG B 83 90.094 4.073 2.259 1.00 0.00 H ATOM 1329 HB3 ARG B 83 91.070 2.688 1.718 1.00 0.00 H ATOM 1330 HG2 ARG B 83 92.497 3.701 3.873 1.00 0.00 H ATOM 1331 HG3 ARG B 83 90.798 3.884 4.368 1.00 0.00 H ATOM 1332 HD2 ARG B 83 92.044 1.711 4.991 1.00 0.00 H ATOM 1333 HD3 ARG B 83 91.840 1.271 3.279 1.00 0.00 H ATOM 1334 HE ARG B 83 89.322 1.765 3.781 1.00 0.00 H ATOM 1335 HH12 ARG B 83 90.364 -0.587 6.913 1.00 0.00 H ATOM 1336 HH11 ARG B 83 91.623 0.311 6.059 1.00 0.00 H ATOM 1337 HH22 ARG B 83 88.182 -0.417 6.253 1.00 0.00 H ATOM 1338 HH21 ARG B 83 87.741 0.614 4.887 1.00 0.00 H ATOM 1339 H ARG B 83 90.414 5.072 0.223 1.00 0.00 H ATOM 1340 N ASP B 84 93.129 3.320 -0.235 1.00 49.98 N ATOM 1341 CA ASP B 84 94.220 2.608 -0.897 1.00 48.85 C ATOM 1342 C ASP B 84 95.300 3.576 -1.366 1.00 47.85 C ATOM 1343 O ASP B 84 96.494 3.261 -1.320 1.00 47.67 O ATOM 1344 CB ASP B 84 93.691 1.800 -2.085 1.00 48.26 C ATOM 1345 CG ASP B 84 92.896 0.581 -1.658 1.00 48.88 C ATOM 1346 OD1 ASP B 84 92.829 0.298 -0.444 1.00 49.45 O ATOM 1347 OD2 ASP B 84 92.301 -0.156 -2.471 1.00 49.98 O ATOM 1348 HA ASP B 84 94.661 1.924 -0.172 1.00 0.00 H ATOM 1349 HB2 ASP B 84 93.048 2.443 -2.685 1.00 0.00 H ATOM 1350 HB3 ASP B 84 94.538 1.471 -2.688 1.00 0.00 H ATOM 1351 H ASP B 84 92.245 3.437 -0.730 1.00 0.00 H ATOM 1352 N LEU B 85 94.861 4.751 -1.812 1.00 46.85 N ATOM 1353 CA LEU B 85 95.745 5.812 -2.285 1.00 45.81 C ATOM 1354 C LEU B 85 96.624 6.369 -1.165 1.00 43.47 C ATOM 1355 O LEU B 85 97.827 6.555 -1.350 1.00 42.78 O ATOM 1356 CB LEU B 85 94.918 6.935 -2.925 1.00 46.76 C ATOM 1357 CG LEU B 85 95.256 7.452 -4.329 1.00 48.06 C ATOM 1358 CD1 LEU B 85 95.837 6.379 -5.252 1.00 50.40 C ATOM 1359 CD2 LEU B 85 94.023 8.083 -4.953 1.00 48.41 C ATOM 1360 HA LEU B 85 96.411 5.380 -3.032 1.00 0.00 H ATOM 1361 HB2 LEU B 85 93.888 6.581 -2.963 1.00 0.00 H ATOM 1362 HB3 LEU B 85 94.982 7.791 -2.254 1.00 0.00 H ATOM 1363 HG LEU B 85 96.040 8.200 -4.210 1.00 0.00 H ATOM 1364 HD21 LEU B 85 93.231 7.338 -5.023 1.00 0.00 H ATOM 1365 HD22 LEU B 85 93.688 8.914 -4.332 1.00 0.00 H ATOM 1366 HD23 LEU B 85 94.269 8.449 -5.950 1.00 0.00 H ATOM 1367 HD11 LEU B 85 96.757 5.987 -4.818 1.00 0.00 H ATOM 1368 HD12 LEU B 85 95.115 5.570 -5.367 1.00 0.00 H ATOM 1369 HD13 LEU B 85 96.051 6.817 -6.227 1.00 0.00 H ATOM 1370 H LEU B 85 93.855 4.919 -1.824 1.00 0.00 H ATOM 1371 N ILE B 86 96.013 6.626 -0.010 1.00 42.23 N ATOM 1372 CA ILE B 86 96.723 7.129 1.166 1.00 39.84 C ATOM 1373 C ILE B 86 97.619 6.043 1.771 1.00 39.13 C ATOM 1374 O ILE B 86 98.744 6.326 2.192 1.00 38.92 O ATOM 1375 CB ILE B 86 95.716 7.684 2.217 1.00 39.81 C ATOM 1376 CG1 ILE B 86 94.915 8.868 1.652 1.00 39.17 C ATOM 1377 CG2 ILE B 86 96.417 8.070 3.521 1.00 40.50 C ATOM 1378 CD1 ILE B 86 95.747 9.984 1.030 1.00 38.71 C ATOM 1379 HA ILE B 86 97.368 7.950 0.853 1.00 0.00 H ATOM 1380 HB ILE B 86 95.014 6.882 2.446 1.00 0.00 H ATOM 1381 HG12 ILE B 86 94.241 8.484 0.886 1.00 0.00 H ATOM 1382 HG13 ILE B 86 94.331 9.298 2.466 1.00 0.00 H ATOM 1383 HD11 ILE B 86 96.419 10.397 1.782 1.00 0.00 H ATOM 1384 HD12 ILE B 86 96.330 9.582 0.201 1.00 0.00 H ATOM 1385 HD13 ILE B 86 95.085 10.768 0.663 1.00 0.00 H ATOM 1386 HG21 ILE B 86 96.906 7.192 3.943 1.00 0.00 H ATOM 1387 HG22 ILE B 86 97.162 8.840 3.318 1.00 0.00 H ATOM 1388 HG23 ILE B 86 95.681 8.453 4.228 1.00 0.00 H ATOM 1389 H ILE B 86 95.008 6.465 0.058 1.00 0.00 H ATOM 1390 N SER B 87 97.113 4.809 1.797 1.00 38.04 N ATOM 1391 CA SER B 87 97.859 3.651 2.290 1.00 37.07 C ATOM 1392 C SER B 87 99.196 3.493 1.563 1.00 37.45 C ATOM 1393 O SER B 87 100.243 3.366 2.205 1.00 36.91 O ATOM 1394 CB SER B 87 97.019 2.378 2.156 1.00 37.08 C ATOM 1395 OG SER B 87 97.806 1.213 2.322 1.00 37.38 O ATOM 1396 HA SER B 87 98.076 3.819 3.345 1.00 0.00 H ATOM 1397 HB2 SER B 87 96.562 2.358 1.167 1.00 0.00 H ATOM 1398 HB3 SER B 87 96.237 2.388 2.916 1.00 0.00 H ATOM 1399 HG SER B 87 97.249 0.436 2.232 1.00 0.00 H ATOM 1400 H SER B 87 96.162 4.666 1.457 1.00 0.00 H ATOM 1401 N ASN B 88 99.147 3.514 0.231 1.00 37.31 N ATOM 1402 CA ASN B 88 100.343 3.465 -0.609 1.00 37.16 C ATOM 1403 C ASN B 88 101.332 4.587 -0.296 1.00 33.51 C ATOM 1404 O ASN B 88 102.532 4.341 -0.137 1.00 33.18 O ATOM 1405 CB ASN B 88 99.956 3.522 -2.088 1.00 41.74 C ATOM 1406 CG ASN B 88 99.972 2.159 -2.749 1.00 46.94 C ATOM 1407 OD1 ASN B 88 101.039 1.594 -3.013 1.00 49.20 O ATOM 1408 ND2 ASN B 88 98.785 1.623 -3.025 1.00 48.46 N ATOM 1409 HA ASN B 88 100.840 2.520 -0.389 1.00 0.00 H ATOM 1410 HB2 ASN B 88 98.952 3.938 -2.170 1.00 0.00 H ATOM 1411 HB3 ASN B 88 100.661 4.171 -2.608 1.00 0.00 H ATOM 1412 HD22 ASN B 88 97.930 2.127 -2.788 1.00 0.00 H ATOM 1413 HD21 ASN B 88 98.730 0.708 -3.473 1.00 0.00 H ATOM 1414 H ASN B 88 98.235 3.567 -0.222 1.00 0.00 H ATOM 1415 N ILE B 89 100.815 5.813 -0.205 1.00 29.10 N ATOM 1416 CA ILE B 89 101.625 6.994 0.089 1.00 24.98 C ATOM 1417 C ILE B 89 102.300 6.856 1.450 1.00 26.05 C ATOM 1418 O ILE B 89 103.494 7.137 1.584 1.00 25.89 O ATOM 1419 CB ILE B 89 100.767 8.285 0.004 1.00 21.52 C ATOM 1420 CG1 ILE B 89 100.512 8.660 -1.458 1.00 18.91 C ATOM 1421 CG2 ILE B 89 101.438 9.442 0.733 1.00 21.09 C ATOM 1422 CD1 ILE B 89 99.299 9.527 -1.673 1.00 17.62 C ATOM 1423 HA ILE B 89 102.410 7.073 -0.663 1.00 0.00 H ATOM 1424 HB ILE B 89 99.813 8.085 0.491 1.00 0.00 H ATOM 1425 HG12 ILE B 89 101.385 9.196 -1.831 1.00 0.00 H ATOM 1426 HG13 ILE B 89 100.380 7.741 -2.029 1.00 0.00 H ATOM 1427 HD11 ILE B 89 98.412 9.003 -1.318 1.00 0.00 H ATOM 1428 HD12 ILE B 89 99.417 10.459 -1.120 1.00 0.00 H ATOM 1429 HD13 ILE B 89 99.193 9.745 -2.736 1.00 0.00 H ATOM 1430 HG21 ILE B 89 101.570 9.180 1.783 1.00 0.00 H ATOM 1431 HG22 ILE B 89 102.410 9.640 0.281 1.00 0.00 H ATOM 1432 HG23 ILE B 89 100.812 10.331 0.655 1.00 0.00 H ATOM 1433 H ILE B 89 99.812 5.932 -0.347 1.00 0.00 H ATOM 1434 N ASN B 90 101.535 6.400 2.442 1.00 27.55 N ATOM 1435 CA ASN B 90 102.051 6.179 3.793 1.00 28.20 C ATOM 1436 C ASN B 90 103.109 5.079 3.875 1.00 27.78 C ATOM 1437 O ASN B 90 104.043 5.184 4.668 1.00 28.38 O ATOM 1438 CB ASN B 90 100.914 5.884 4.773 1.00 31.57 C ATOM 1439 CG ASN B 90 101.054 6.645 6.083 1.00 33.11 C ATOM 1440 OD1 ASN B 90 100.068 7.122 6.636 1.00 34.19 O ATOM 1441 ND2 ASN B 90 102.283 6.758 6.586 1.00 34.23 N ATOM 1442 HA ASN B 90 102.544 7.110 4.073 1.00 0.00 H ATOM 1443 HB2 ASN B 90 99.970 6.164 4.306 1.00 0.00 H ATOM 1444 HB3 ASN B 90 100.908 4.816 4.989 1.00 0.00 H ATOM 1445 HD22 ASN B 90 103.076 6.346 6.093 1.00 0.00 H ATOM 1446 HD21 ASN B 90 102.431 7.256 7.464 1.00 0.00 H ATOM 1447 H ASN B 90 100.553 6.198 2.252 1.00 0.00 H ATOM 1448 N VAL B 91 102.958 4.035 3.059 1.00 27.00 N ATOM 1449 CA VAL B 91 103.940 2.949 2.981 1.00 26.28 C ATOM 1450 C VAL B 91 105.292 3.456 2.449 1.00 26.70 C ATOM 1451 O VAL B 91 106.349 3.085 2.971 1.00 26.66 O ATOM 1452 CB VAL B 91 103.407 1.753 2.140 1.00 25.54 C ATOM 1453 CG1 VAL B 91 104.545 0.852 1.652 1.00 24.81 C ATOM 1454 CG2 VAL B 91 102.398 0.941 2.945 1.00 26.11 C ATOM 1455 HA VAL B 91 104.103 2.582 3.994 1.00 0.00 H ATOM 1456 HB VAL B 91 102.910 2.166 1.262 1.00 0.00 H ATOM 1457 HG11 VAL B 91 105.226 1.433 1.030 1.00 0.00 H ATOM 1458 HG12 VAL B 91 105.086 0.454 2.511 1.00 0.00 H ATOM 1459 HG13 VAL B 91 104.131 0.029 1.069 1.00 0.00 H ATOM 1460 HG21 VAL B 91 102.878 0.556 3.844 1.00 0.00 H ATOM 1461 HG22 VAL B 91 101.560 1.579 3.224 1.00 0.00 H ATOM 1462 HG23 VAL B 91 102.037 0.109 2.340 1.00 0.00 H ATOM 1463 H VAL B 91 102.128 3.990 2.467 1.00 0.00 H ATOM 1464 N ILE B 92 105.241 4.310 1.426 1.00 25.04 N ATOM 1465 CA ILE B 92 106.435 4.941 0.865 1.00 24.19 C ATOM 1466 C ILE B 92 107.060 5.918 1.864 1.00 22.73 C ATOM 1467 O ILE B 92 108.277 5.923 2.057 1.00 21.47 O ATOM 1468 CB ILE B 92 106.101 5.679 -0.469 1.00 25.39 C ATOM 1469 CG1 ILE B 92 105.612 4.702 -1.552 1.00 27.16 C ATOM 1470 CG2 ILE B 92 107.292 6.508 -0.952 1.00 23.97 C ATOM 1471 CD1 ILE B 92 106.692 3.811 -2.158 1.00 29.78 C ATOM 1472 HA ILE B 92 107.157 4.152 0.654 1.00 0.00 H ATOM 1473 HB ILE B 92 105.280 6.367 -0.268 1.00 0.00 H ATOM 1474 HG12 ILE B 92 104.853 4.058 -1.108 1.00 0.00 H ATOM 1475 HG13 ILE B 92 105.165 5.286 -2.357 1.00 0.00 H ATOM 1476 HD11 ILE B 92 107.456 4.434 -2.623 1.00 0.00 H ATOM 1477 HD12 ILE B 92 107.144 3.205 -1.373 1.00 0.00 H ATOM 1478 HD13 ILE B 92 106.245 3.160 -2.910 1.00 0.00 H ATOM 1479 HG21 ILE B 92 107.547 7.251 -0.196 1.00 0.00 H ATOM 1480 HG22 ILE B 92 108.146 5.851 -1.120 1.00 0.00 H ATOM 1481 HG23 ILE B 92 107.030 7.010 -1.883 1.00 0.00 H ATOM 1482 H ILE B 92 104.333 4.532 1.018 1.00 0.00 H ATOM 1483 N VAL B 93 106.219 6.740 2.491 1.00 22.19 N ATOM 1484 CA VAL B 93 106.671 7.754 3.442 1.00 22.01 C ATOM 1485 C VAL B 93 107.437 7.124 4.606 1.00 25.48 C ATOM 1486 O VAL B 93 108.500 7.617 4.995 1.00 27.19 O ATOM 1487 CB VAL B 93 105.487 8.631 3.945 1.00 21.09 C ATOM 1488 CG1 VAL B 93 105.790 9.270 5.300 1.00 20.46 C ATOM 1489 CG2 VAL B 93 105.135 9.706 2.914 1.00 19.10 C ATOM 1490 HA VAL B 93 107.362 8.413 2.915 1.00 0.00 H ATOM 1491 HB VAL B 93 104.627 7.974 4.075 1.00 0.00 H ATOM 1492 HG11 VAL B 93 105.974 8.488 6.036 1.00 0.00 H ATOM 1493 HG12 VAL B 93 106.673 9.903 5.212 1.00 0.00 H ATOM 1494 HG13 VAL B 93 104.938 9.873 5.614 1.00 0.00 H ATOM 1495 HG21 VAL B 93 106.002 10.345 2.747 1.00 0.00 H ATOM 1496 HG22 VAL B 93 104.848 9.229 1.977 1.00 0.00 H ATOM 1497 HG23 VAL B 93 104.305 10.307 3.286 1.00 0.00 H ATOM 1498 H VAL B 93 105.220 6.658 2.300 1.00 0.00 H ATOM 1499 N LEU B 94 106.910 6.022 5.137 1.00 28.81 N ATOM 1500 CA LEU B 94 107.570 5.304 6.227 1.00 32.77 C ATOM 1501 C LEU B 94 108.847 4.592 5.771 1.00 31.53 C ATOM 1502 O LEU B 94 109.776 4.426 6.558 1.00 33.35 O ATOM 1503 CB LEU B 94 106.609 4.321 6.915 1.00 38.04 C ATOM 1504 CG LEU B 94 105.360 4.890 7.615 1.00 42.11 C ATOM 1505 CD1 LEU B 94 104.407 3.767 8.032 1.00 44.20 C ATOM 1506 CD2 LEU B 94 105.699 5.785 8.814 1.00 43.93 C ATOM 1507 HA LEU B 94 107.868 6.056 6.957 1.00 0.00 H ATOM 1508 HB2 LEU B 94 106.262 3.622 6.154 1.00 0.00 H ATOM 1509 HB3 LEU B 94 107.183 3.781 7.668 1.00 0.00 H ATOM 1510 HG LEU B 94 104.860 5.524 6.883 1.00 0.00 H ATOM 1511 HD21 LEU B 94 106.257 5.207 9.551 1.00 0.00 H ATOM 1512 HD22 LEU B 94 106.303 6.628 8.477 1.00 0.00 H ATOM 1513 HD23 LEU B 94 104.777 6.154 9.263 1.00 0.00 H ATOM 1514 HD11 LEU B 94 104.092 3.213 7.148 1.00 0.00 H ATOM 1515 HD12 LEU B 94 104.919 3.095 8.720 1.00 0.00 H ATOM 1516 HD13 LEU B 94 103.534 4.197 8.524 1.00 0.00 H ATOM 1517 H LEU B 94 106.024 5.670 4.774 1.00 0.00 H ATOM 1518 N GLU B 95 108.890 4.187 4.502 1.00 30.14 N ATOM 1519 CA GLU B 95 110.084 3.570 3.916 1.00 29.13 C ATOM 1520 C GLU B 95 111.232 4.568 3.815 1.00 27.48 C ATOM 1521 O GLU B 95 112.398 4.205 3.971 1.00 27.82 O ATOM 1522 CB GLU B 95 109.782 3.016 2.521 1.00 29.86 C ATOM 1523 CG GLU B 95 109.374 1.553 2.495 1.00 33.26 C ATOM 1524 CD GLU B 95 108.801 1.115 1.158 1.00 33.96 C ATOM 1525 OE1 GLU B 95 108.698 1.950 0.234 1.00 32.31 O ATOM 1526 OE2 GLU B 95 108.447 -0.077 1.031 1.00 36.78 O ATOM 1527 HA GLU B 95 110.379 2.755 4.576 1.00 0.00 H ATOM 1528 HB2 GLU B 95 108.971 3.603 2.090 1.00 0.00 H ATOM 1529 HB3 GLU B 95 110.676 3.131 1.909 1.00 0.00 H ATOM 1530 HG2 GLU B 95 110.252 0.944 2.712 1.00 0.00 H ATOM 1531 HG3 GLU B 95 108.620 1.389 3.265 1.00 0.00 H ATOM 1532 H GLU B 95 108.063 4.311 3.918 1.00 0.00 H ATOM 1533 N LEU B 96 110.883 5.826 3.561 1.00 25.90 N ATOM 1534 CA LEU B 96 111.861 6.874 3.304 1.00 25.28 C ATOM 1535 C LEU B 96 112.476 7.468 4.567 1.00 26.58 C ATOM 1536 O LEU B 96 113.668 7.775 4.592 1.00 27.18 O ATOM 1537 CB LEU B 96 111.235 7.985 2.457 1.00 23.00 C ATOM 1538 CG LEU B 96 111.003 7.687 0.975 1.00 21.07 C ATOM 1539 CD1 LEU B 96 110.061 8.720 0.382 1.00 20.30 C ATOM 1540 CD2 LEU B 96 112.316 7.665 0.212 1.00 20.46 C ATOM 1541 HA LEU B 96 112.677 6.398 2.760 1.00 0.00 H ATOM 1542 HB2 LEU B 96 110.269 8.229 2.898 1.00 0.00 H ATOM 1543 HB3 LEU B 96 111.891 8.854 2.518 1.00 0.00 H ATOM 1544 HG LEU B 96 110.549 6.700 0.888 1.00 0.00 H ATOM 1545 HD21 LEU B 96 112.803 8.636 0.302 1.00 0.00 H ATOM 1546 HD22 LEU B 96 112.963 6.892 0.627 1.00 0.00 H ATOM 1547 HD23 LEU B 96 112.121 7.451 -0.839 1.00 0.00 H ATOM 1548 HD11 LEU B 96 109.108 8.686 0.910 1.00 0.00 H ATOM 1549 HD12 LEU B 96 110.500 9.712 0.486 1.00 0.00 H ATOM 1550 HD13 LEU B 96 109.901 8.500 -0.674 1.00 0.00 H ATOM 1551 H LEU B 96 109.892 6.066 3.546 1.00 0.00 H ATOM 1552 N LYS B 97 111.669 7.632 5.611 1.00 28.94 N ATOM 1553 CA LYS B 97 112.134 8.322 6.814 1.00 32.01 C ATOM 1554 C LYS B 97 112.420 7.419 8.017 1.00 35.00 C ATOM 1555 O LYS B 97 113.084 7.839 8.967 1.00 35.15 O ATOM 1556 CB LYS B 97 111.194 9.483 7.184 1.00 31.47 C ATOM 1557 CG LYS B 97 109.849 9.085 7.773 1.00 32.28 C ATOM 1558 CD LYS B 97 109.152 10.301 8.378 1.00 33.94 C ATOM 1559 CE LYS B 97 107.806 9.938 8.985 1.00 35.18 C ATOM 1560 NZ LYS B 97 107.952 9.498 10.400 1.00 37.06 N ATOM 1561 HA LYS B 97 113.110 8.726 6.546 1.00 0.00 H ATOM 1562 HB2 LYS B 97 111.707 10.109 7.914 1.00 0.00 H ATOM 1563 HB3 LYS B 97 111.005 10.062 6.280 1.00 0.00 H ATOM 1564 HG2 LYS B 97 109.222 8.666 6.986 1.00 0.00 H ATOM 1565 HG3 LYS B 97 110.004 8.336 8.550 1.00 0.00 H ATOM 1566 HD2 LYS B 97 109.788 10.721 9.157 1.00 0.00 H ATOM 1567 HD3 LYS B 97 108.997 11.045 7.596 1.00 0.00 H ATOM 1568 HE2 LYS B 97 107.361 9.129 8.405 1.00 0.00 H ATOM 1569 HE3 LYS B 97 107.153 10.810 8.950 1.00 0.00 H ATOM 1570 HZ1 LYS B 97 108.558 8.678 10.439 1.00 0.00 H ATOM 1571 HZ2 LYS B 97 108.363 10.253 10.949 1.00 0.00 H ATOM 1572 HZ3 LYS B 97 107.034 9.262 10.778 1.00 0.00 H ATOM 1573 H LYS B 97 110.715 7.273 5.573 1.00 0.00 H ATOM 1574 N GLY B 98 111.928 6.182 7.964 1.00 38.37 N ATOM 1575 CA GLY B 98 112.164 5.209 9.017 1.00 43.91 C ATOM 1576 C GLY B 98 111.195 5.311 10.180 1.00 49.13 C ATOM 1577 O GLY B 98 110.273 6.132 10.168 1.00 47.47 O ATOM 1578 HA3 GLY B 98 113.175 5.355 9.399 1.00 0.00 H ATOM 1579 HA2 GLY B 98 112.080 4.211 8.587 1.00 0.00 H ATOM 1580 H GLY B 98 111.367 5.909 7.157 1.00 0.00 H ATOM 1581 N SER B 99 111.412 4.468 11.188 1.00 56.29 N ATOM 1582 CA SER B 99 110.552 4.412 12.372 1.00 62.48 C ATOM 1583 C SER B 99 111.290 4.787 13.659 1.00 67.33 C ATOM 1584 O SER B 99 110.670 5.237 14.625 1.00 69.35 O ATOM 1585 CB SER B 99 109.912 3.025 12.511 1.00 63.62 C ATOM 1586 OG SER B 99 110.883 1.991 12.453 1.00 64.78 O ATOM 1587 HA SER B 99 109.770 5.157 12.224 1.00 0.00 H ATOM 1588 HB2 SER B 99 109.196 2.883 11.702 1.00 0.00 H ATOM 1589 HB3 SER B 99 109.393 2.969 13.468 1.00 0.00 H ATOM 1590 HG SER B 99 110.448 1.140 12.543 1.00 0.00 H ATOM 1591 H SER B 99 112.210 3.835 11.133 1.00 0.00 H ATOM 1592 N GLU B 100 112.609 4.600 13.661 1.00 71.85 N ATOM 1593 CA GLU B 100 113.456 4.917 14.814 1.00 77.42 C ATOM 1594 C GLU B 100 113.482 6.419 15.114 1.00 78.50 C ATOM 1595 O GLU B 100 113.399 6.834 16.272 1.00 79.05 O ATOM 1596 CB GLU B 100 114.886 4.385 14.611 1.00 80.37 C ATOM 1597 CG GLU B 100 115.215 3.904 13.193 1.00 81.78 C ATOM 1598 CD GLU B 100 116.696 3.613 12.994 1.00 83.06 C ATOM 1599 OE1 GLU B 100 117.460 4.551 12.675 1.00 82.32 O ATOM 1600 OE2 GLU B 100 117.098 2.440 13.149 1.00 84.52 O ATOM 1601 HA GLU B 100 113.017 4.417 15.677 1.00 0.00 H ATOM 1602 HB2 GLU B 100 115.582 5.185 14.865 1.00 0.00 H ATOM 1603 HB3 GLU B 100 115.033 3.547 15.293 1.00 0.00 H ATOM 1604 HG2 GLU B 100 114.652 2.992 12.995 1.00 0.00 H ATOM 1605 HG3 GLU B 100 114.914 4.676 12.485 1.00 0.00 H ATOM 1606 H GLU B 100 113.049 4.219 12.823 1.00 0.00 H ATOM 1607 N THR B 101 113.588 7.221 14.059 1.00 79.77 N ATOM 1608 CA THR B 101 113.632 8.674 14.174 1.00 81.50 C ATOM 1609 C THR B 101 112.230 9.270 14.047 1.00 81.76 C ATOM 1610 O THR B 101 111.606 9.194 12.985 1.00 81.45 O ATOM 1611 CB THR B 101 114.567 9.272 13.092 1.00 81.79 C ATOM 1612 OG1 THR B 101 115.693 8.410 12.883 1.00 83.10 O ATOM 1613 CG2 THR B 101 115.206 10.554 13.581 1.00 82.52 C ATOM 1614 HA THR B 101 114.026 8.927 15.158 1.00 0.00 H ATOM 1615 HB THR B 101 113.953 9.414 12.203 1.00 0.00 H ATOM 1616 HG1 THR B 101 116.265 8.789 12.212 1.00 0.00 H ATOM 1617 HG23 THR B 101 114.430 11.294 13.775 1.00 0.00 H ATOM 1618 HG21 THR B 101 115.759 10.356 14.499 1.00 0.00 H ATOM 1619 HG22 THR B 101 115.888 10.932 12.819 1.00 0.00 H ATOM 1620 H THR B 101 113.641 6.802 13.130 1.00 0.00 H ATOM 1621 N THR B 102 111.735 9.846 15.139 1.00 82.46 N ATOM 1622 CA THR B 102 110.477 10.594 15.116 1.00 82.13 C ATOM 1623 C THR B 102 110.777 12.084 15.266 1.00 81.29 C ATOM 1624 O THR B 102 111.696 12.462 15.994 1.00 82.18 O ATOM 1625 CB THR B 102 109.491 10.107 16.217 1.00 83.77 C ATOM 1626 OG1 THR B 102 109.754 10.788 17.451 1.00 85.29 O ATOM 1627 CG2 THR B 102 109.723 8.636 16.567 1.00 84.52 C ATOM 1628 HA THR B 102 109.985 10.417 14.159 1.00 0.00 H ATOM 1629 HB THR B 102 108.491 10.286 15.823 1.00 0.00 H ATOM 1630 HG1 THR B 102 109.643 11.733 17.324 1.00 0.00 H ATOM 1631 HG23 THR B 102 109.547 8.022 15.684 1.00 0.00 H ATOM 1632 HG21 THR B 102 110.750 8.502 16.905 1.00 0.00 H ATOM 1633 HG22 THR B 102 109.036 8.340 17.360 1.00 0.00 H ATOM 1634 H THR B 102 112.247 9.764 16.018 1.00 0.00 H ATOM 1635 N PHE B 103 110.011 12.925 14.576 1.00 79.30 N ATOM 1636 CA PHE B 103 110.277 14.363 14.584 1.00 77.88 C ATOM 1637 C PHE B 103 109.025 15.221 14.728 1.00 74.92 C ATOM 1638 O PHE B 103 107.955 14.873 14.227 1.00 74.03 O ATOM 1639 CB PHE B 103 111.051 14.774 13.327 1.00 78.93 C ATOM 1640 CG PHE B 103 112.536 14.883 13.537 1.00 81.72 C ATOM 1641 CD1 PHE B 103 113.386 13.864 13.120 1.00 82.14 C ATOM 1642 CD2 PHE B 103 113.087 16.003 14.154 1.00 83.76 C ATOM 1643 CE1 PHE B 103 114.763 13.960 13.312 1.00 82.97 C ATOM 1644 CE2 PHE B 103 114.462 16.104 14.353 1.00 84.52 C ATOM 1645 CZ PHE B 103 115.300 15.079 13.930 1.00 84.06 C ATOM 1646 HA PHE B 103 110.882 14.548 15.472 1.00 0.00 H ATOM 1647 HB2 PHE B 103 110.867 14.031 12.551 1.00 0.00 H ATOM 1648 HB3 PHE B 103 110.679 15.743 12.995 1.00 0.00 H ATOM 1649 HD2 PHE B 103 112.434 16.811 14.485 1.00 0.00 H ATOM 1650 HE2 PHE B 103 114.880 16.985 14.840 1.00 0.00 H ATOM 1651 HZ PHE B 103 116.376 15.155 14.084 1.00 0.00 H ATOM 1652 HE1 PHE B 103 115.418 13.156 12.976 1.00 0.00 H ATOM 1653 HD1 PHE B 103 112.970 12.980 12.637 1.00 0.00 H ATOM 1654 H PHE B 103 109.227 12.562 14.034 1.00 0.00 H ATOM 1655 N MET B 104 109.175 16.342 15.427 1.00 72.53 N ATOM 1656 CA MET B 104 108.130 17.350 15.511 1.00 69.70 C ATOM 1657 C MET B 104 108.199 18.210 14.255 1.00 63.42 C ATOM 1658 O MET B 104 109.244 18.787 13.944 1.00 63.66 O ATOM 1659 CB MET B 104 108.311 18.207 16.768 1.00 74.53 C ATOM 1660 CG MET B 104 107.082 19.023 17.158 1.00 78.43 C ATOM 1661 SD MET B 104 107.489 20.641 17.860 1.00 82.49 S ATOM 1662 CE MET B 104 107.849 21.602 16.370 1.00 80.32 C ATOM 1663 HA MET B 104 107.152 16.873 15.579 1.00 0.00 H ATOM 1664 HB2 MET B 104 108.559 17.546 17.599 1.00 0.00 H ATOM 1665 HB3 MET B 104 109.137 18.897 16.595 1.00 0.00 H ATOM 1666 HG2 MET B 104 106.512 18.459 17.896 1.00 0.00 H ATOM 1667 HG3 MET B 104 106.471 19.175 16.268 1.00 0.00 H ATOM 1668 HE1 MET B 104 108.680 21.143 15.835 1.00 0.00 H ATOM 1669 HE2 MET B 104 106.968 21.620 15.729 1.00 0.00 H ATOM 1670 HE3 MET B 104 108.115 22.621 16.652 1.00 0.00 H ATOM 1671 H MET B 104 110.053 16.500 15.921 1.00 0.00 H ATOM 1672 N CYS B 105 107.089 18.282 13.527 1.00 56.72 N ATOM 1673 CA CYS B 105 107.033 19.061 12.297 1.00 50.98 C ATOM 1674 C CYS B 105 106.700 20.530 12.553 1.00 51.07 C ATOM 1675 O CYS B 105 105.719 20.849 13.230 1.00 51.58 O ATOM 1676 CB CYS B 105 106.012 18.463 11.334 1.00 46.83 C ATOM 1677 SG CYS B 105 105.450 19.623 10.066 1.00 43.06 S ATOM 1678 HA CYS B 105 108.027 19.020 11.851 1.00 0.00 H ATOM 1679 HB2 CYS B 105 105.146 18.134 11.909 1.00 0.00 H ATOM 1680 HB3 CYS B 105 106.466 17.604 10.839 1.00 0.00 H ATOM 1681 H CYS B 105 106.257 17.780 13.837 1.00 0.00 H ATOM 1682 N GLU B 106 107.523 21.414 11.994 1.00 50.55 N ATOM 1683 CA GLU B 106 107.285 22.851 12.057 1.00 52.03 C ATOM 1684 C GLU B 106 106.423 23.289 10.878 1.00 48.64 C ATOM 1685 O GLU B 106 106.762 23.033 9.721 1.00 46.85 O ATOM 1686 CB GLU B 106 108.610 23.615 12.056 1.00 56.46 C ATOM 1687 CG GLU B 106 109.045 24.118 13.424 1.00 62.24 C ATOM 1688 CD GLU B 106 110.448 23.669 13.809 1.00 65.06 C ATOM 1689 OE1 GLU B 106 111.148 23.059 12.970 1.00 64.05 O ATOM 1690 OE2 GLU B 106 110.854 23.926 14.963 1.00 67.77 O ATOM 1691 HA GLU B 106 106.758 23.077 12.984 1.00 0.00 H ATOM 1692 HB2 GLU B 106 109.386 22.952 11.673 1.00 0.00 H ATOM 1693 HB3 GLU B 106 108.508 24.474 11.393 1.00 0.00 H ATOM 1694 HG2 GLU B 106 109.019 25.208 13.417 1.00 0.00 H ATOM 1695 HG3 GLU B 106 108.344 23.744 14.170 1.00 0.00 H ATOM 1696 H GLU B 106 108.350 21.074 11.504 1.00 0.00 H ATOM 1697 N TYR B 107 105.311 23.951 11.182 1.00 47.57 N ATOM 1698 CA TYR B 107 104.356 24.381 10.165 1.00 46.85 C ATOM 1699 C TYR B 107 104.473 25.867 9.841 1.00 47.33 C ATOM 1700 O TYR B 107 104.760 26.680 10.719 1.00 50.72 O ATOM 1701 CB TYR B 107 102.930 24.086 10.628 1.00 47.90 C ATOM 1702 CG TYR B 107 102.586 22.618 10.757 1.00 47.70 C ATOM 1703 CD1 TYR B 107 102.423 21.814 9.629 1.00 46.08 C ATOM 1704 CD2 TYR B 107 102.400 22.037 12.011 1.00 49.37 C ATOM 1705 CE1 TYR B 107 102.091 20.470 9.746 1.00 45.86 C ATOM 1706 CE2 TYR B 107 102.071 20.691 12.138 1.00 49.21 C ATOM 1707 CZ TYR B 107 101.918 19.915 11.002 1.00 47.35 C ATOM 1708 OH TYR B 107 101.591 18.585 11.122 1.00 47.41 O ATOM 1709 HA TYR B 107 104.589 23.821 9.259 1.00 0.00 H ATOM 1710 HB3 TYR B 107 102.243 24.532 9.909 1.00 0.00 H ATOM 1711 HB2 TYR B 107 102.788 24.553 11.603 1.00 0.00 H ATOM 1712 HD2 TYR B 107 102.514 22.648 12.907 1.00 0.00 H ATOM 1713 HE2 TYR B 107 101.935 20.250 13.126 1.00 0.00 H ATOM 1714 HE1 TYR B 107 101.968 19.856 8.854 1.00 0.00 H ATOM 1715 HD1 TYR B 107 102.558 22.248 8.638 1.00 0.00 H ATOM 1716 HH TYR B 107 102.273 18.133 11.625 1.00 0.00 H ATOM 1717 H TYR B 107 105.118 24.166 12.160 1.00 0.00 H ATOM 1718 N ALA B 108 104.236 26.214 8.578 1.00 45.62 N ATOM 1719 CA ALA B 108 104.185 27.609 8.144 1.00 46.61 C ATOM 1720 C ALA B 108 102.982 28.329 8.754 1.00 48.55 C ATOM 1721 O ALA B 108 102.008 27.687 9.154 1.00 47.50 O ATOM 1722 CB ALA B 108 104.141 27.685 6.627 1.00 45.27 C ATOM 1723 HA ALA B 108 105.088 28.110 8.494 1.00 0.00 H ATOM 1724 HB1 ALA B 108 105.034 27.215 6.215 1.00 0.00 H ATOM 1725 HB2 ALA B 108 103.254 27.165 6.264 1.00 0.00 H ATOM 1726 HB3 ALA B 108 104.103 28.730 6.318 1.00 0.00 H ATOM 1727 H ALA B 108 104.084 25.479 7.887 1.00 0.00 H ATOM 1728 N ASP B 109 103.055 29.658 8.820 1.00 52.24 N ATOM 1729 CA ASP B 109 102.007 30.470 9.448 1.00 56.72 C ATOM 1730 C ASP B 109 100.711 30.501 8.639 1.00 54.24 C ATOM 1731 O ASP B 109 99.620 30.582 9.209 1.00 55.28 O ATOM 1732 CB ASP B 109 102.490 31.904 9.697 1.00 62.87 C ATOM 1733 CG ASP B 109 103.913 31.968 10.228 1.00 67.34 C ATOM 1734 OD1 ASP B 109 104.301 31.094 11.036 1.00 69.25 O ATOM 1735 OD2 ASP B 109 104.716 32.864 9.892 1.00 69.63 O ATOM 1736 HA ASP B 109 101.790 29.988 10.401 1.00 0.00 H ATOM 1737 HB2 ASP B 109 102.445 32.454 8.757 1.00 0.00 H ATOM 1738 HB3 ASP B 109 101.826 32.373 10.424 1.00 0.00 H ATOM 1739 H ASP B 109 103.868 30.127 8.420 1.00 0.00 H ATOM 1740 N GLU B 110 100.843 30.442 7.315 1.00 49.74 N ATOM 1741 CA GLU B 110 99.694 30.457 6.414 1.00 44.05 C ATOM 1742 C GLU B 110 99.370 29.054 5.906 1.00 37.36 C ATOM 1743 O GLU B 110 100.275 28.261 5.622 1.00 36.13 O ATOM 1744 CB GLU B 110 99.954 31.395 5.232 1.00 46.04 C ATOM 1745 CG GLU B 110 99.888 32.875 5.578 1.00 51.32 C ATOM 1746 CD GLU B 110 98.470 33.417 5.558 1.00 54.76 C ATOM 1747 OE1 GLU B 110 98.037 33.920 4.497 1.00 55.33 O ATOM 1748 OE2 GLU B 110 97.787 33.339 6.604 1.00 56.52 O ATOM 1749 HA GLU B 110 98.835 30.822 6.977 1.00 0.00 H ATOM 1750 HB2 GLU B 110 100.948 31.181 4.838 1.00 0.00 H ATOM 1751 HB3 GLU B 110 99.208 31.191 4.464 1.00 0.00 H ATOM 1752 HG2 GLU B 110 100.303 33.019 6.575 1.00 0.00 H ATOM 1753 HG3 GLU B 110 100.484 33.430 4.854 1.00 0.00 H ATOM 1754 H GLU B 110 101.780 30.384 6.916 1.00 0.00 H ATOM 1755 N THR B 111 98.076 28.753 5.805 1.00 30.91 N ATOM 1756 CA THR B 111 97.614 27.497 5.213 1.00 24.63 C ATOM 1757 C THR B 111 97.538 27.620 3.684 1.00 21.75 C ATOM 1758 O THR B 111 97.842 28.678 3.124 1.00 20.82 O ATOM 1759 CB THR B 111 96.255 27.053 5.814 1.00 23.69 C ATOM 1760 OG1 THR B 111 95.273 28.077 5.623 1.00 23.83 O ATOM 1761 CG2 THR B 111 96.345 26.923 7.326 1.00 25.23 C ATOM 1762 HA THR B 111 98.340 26.721 5.455 1.00 0.00 H ATOM 1763 HB THR B 111 95.999 26.112 5.327 1.00 0.00 H ATOM 1764 HG1 THR B 111 94.437 27.791 5.999 1.00 0.00 H ATOM 1765 HG23 THR B 111 97.077 26.157 7.581 1.00 0.00 H ATOM 1766 HG21 THR B 111 96.652 27.877 7.754 1.00 0.00 H ATOM 1767 HG22 THR B 111 95.370 26.642 7.724 1.00 0.00 H ATOM 1768 H THR B 111 97.386 29.419 6.151 1.00 0.00 H ATOM 1769 N ALA B 112 97.152 26.538 3.011 1.00 19.43 N ATOM 1770 CA ALA B 112 97.088 26.527 1.550 1.00 19.07 C ATOM 1771 C ALA B 112 96.004 25.594 1.007 1.00 18.94 C ATOM 1772 O ALA B 112 95.389 24.831 1.758 1.00 18.90 O ATOM 1773 CB ALA B 112 98.451 26.167 0.963 1.00 17.86 C ATOM 1774 HA ALA B 112 96.814 27.535 1.238 1.00 0.00 H ATOM 1775 HB1 ALA B 112 99.189 26.903 1.282 1.00 0.00 H ATOM 1776 HB2 ALA B 112 98.747 25.179 1.314 1.00 0.00 H ATOM 1777 HB3 ALA B 112 98.387 26.163 -0.125 1.00 0.00 H ATOM 1778 H ALA B 112 96.895 25.696 3.527 1.00 0.00 H ATOM 1779 N THR B 113 95.778 25.670 -0.303 1.00 17.35 N ATOM 1780 CA THR B 113 94.833 24.794 -0.989 1.00 16.23 C ATOM 1781 C THR B 113 95.448 23.414 -1.209 1.00 15.07 C ATOM 1782 O THR B 113 96.640 23.217 -0.986 1.00 16.88 O ATOM 1783 CB THR B 113 94.405 25.404 -2.348 1.00 16.89 C ATOM 1784 OG1 THR B 113 95.511 25.377 -3.262 1.00 18.96 O ATOM 1785 CG2 THR B 113 94.091 26.891 -2.213 1.00 15.93 C ATOM 1786 HA THR B 113 93.949 24.691 -0.360 1.00 0.00 H ATOM 1787 HB THR B 113 93.543 24.828 -2.685 1.00 0.00 H ATOM 1788 HG1 THR B 113 96.238 25.888 -2.898 1.00 0.00 H ATOM 1789 HG23 THR B 113 93.252 27.023 -1.529 1.00 0.00 H ATOM 1790 HG21 THR B 113 94.965 27.412 -1.823 1.00 0.00 H ATOM 1791 HG22 THR B 113 93.832 27.297 -3.191 1.00 0.00 H ATOM 1792 H THR B 113 96.285 26.367 -0.848 1.00 0.00 H ATOM 1793 N ILE B 114 94.630 22.466 -1.651 1.00 15.21 N ATOM 1794 CA ILE B 114 95.107 21.129 -1.997 1.00 14.24 C ATOM 1795 C ILE B 114 96.123 21.174 -3.146 1.00 15.04 C ATOM 1796 O ILE B 114 97.009 20.324 -3.228 1.00 14.71 O ATOM 1797 CB ILE B 114 93.909 20.173 -2.310 1.00 13.23 C ATOM 1798 CG1 ILE B 114 94.392 18.736 -2.527 1.00 13.14 C ATOM 1799 CG2 ILE B 114 93.090 20.661 -3.506 1.00 13.30 C ATOM 1800 CD1 ILE B 114 93.584 17.699 -1.793 1.00 12.54 C ATOM 1801 HA ILE B 114 95.630 20.724 -1.131 1.00 0.00 H ATOM 1802 HB ILE B 114 93.253 20.183 -1.440 1.00 0.00 H ATOM 1803 HG12 ILE B 114 94.344 18.516 -3.593 1.00 0.00 H ATOM 1804 HG13 ILE B 114 95.426 18.667 -2.189 1.00 0.00 H ATOM 1805 HD11 ILE B 114 93.630 17.896 -0.722 1.00 0.00 H ATOM 1806 HD12 ILE B 114 92.548 17.744 -2.128 1.00 0.00 H ATOM 1807 HD13 ILE B 114 93.991 16.709 -2.000 1.00 0.00 H ATOM 1808 HG21 ILE B 114 92.690 21.652 -3.291 1.00 0.00 H ATOM 1809 HG22 ILE B 114 93.730 20.709 -4.387 1.00 0.00 H ATOM 1810 HG23 ILE B 114 92.268 19.968 -3.689 1.00 0.00 H ATOM 1811 H ILE B 114 93.637 22.678 -1.752 1.00 0.00 H ATOM 1812 N VAL B 115 96.001 22.181 -4.011 1.00 16.39 N ATOM 1813 CA VAL B 115 96.894 22.336 -5.163 1.00 17.22 C ATOM 1814 C VAL B 115 98.320 22.698 -4.740 1.00 18.76 C ATOM 1815 O VAL B 115 99.272 22.034 -5.151 1.00 19.14 O ATOM 1816 CB VAL B 115 96.342 23.349 -6.205 1.00 16.58 C ATOM 1817 CG1 VAL B 115 97.362 23.614 -7.313 1.00 15.41 C ATOM 1818 CG2 VAL B 115 95.039 22.832 -6.807 1.00 16.56 C ATOM 1819 HA VAL B 115 96.935 21.362 -5.651 1.00 0.00 H ATOM 1820 HB VAL B 115 96.149 24.289 -5.689 1.00 0.00 H ATOM 1821 HG11 VAL B 115 98.272 24.025 -6.876 1.00 0.00 H ATOM 1822 HG12 VAL B 115 97.592 22.679 -7.824 1.00 0.00 H ATOM 1823 HG13 VAL B 115 96.946 24.326 -8.025 1.00 0.00 H ATOM 1824 HG21 VAL B 115 95.222 21.877 -7.300 1.00 0.00 H ATOM 1825 HG22 VAL B 115 94.302 22.698 -6.015 1.00 0.00 H ATOM 1826 HG23 VAL B 115 94.665 23.553 -7.535 1.00 0.00 H ATOM 1827 H VAL B 115 95.261 22.867 -3.866 1.00 0.00 H ATOM 1828 N GLU B 116 98.462 23.738 -3.918 1.00 20.67 N ATOM 1829 CA GLU B 116 99.776 24.148 -3.424 1.00 22.84 C ATOM 1830 C GLU B 116 100.371 23.105 -2.484 1.00 22.25 C ATOM 1831 O GLU B 116 101.586 22.890 -2.478 1.00 23.03 O ATOM 1832 CB GLU B 116 99.707 25.499 -2.715 1.00 25.52 C ATOM 1833 CG GLU B 116 99.500 26.677 -3.643 1.00 29.89 C ATOM 1834 CD GLU B 116 98.045 27.091 -3.718 1.00 33.24 C ATOM 1835 OE1 GLU B 116 97.461 27.410 -2.658 1.00 35.57 O ATOM 1836 OE2 GLU B 116 97.484 27.090 -4.834 1.00 32.56 O ATOM 1837 HA GLU B 116 100.425 24.241 -4.295 1.00 0.00 H ATOM 1838 HB2 GLU B 116 98.879 25.472 -2.007 1.00 0.00 H ATOM 1839 HB3 GLU B 116 100.641 25.650 -2.174 1.00 0.00 H ATOM 1840 HG2 GLU B 116 100.088 27.520 -3.279 1.00 0.00 H ATOM 1841 HG3 GLU B 116 99.840 26.403 -4.642 1.00 0.00 H ATOM 1842 H GLU B 116 97.635 24.260 -3.627 1.00 0.00 H ATOM 1843 N PHE B 117 99.510 22.469 -1.691 1.00 20.18 N ATOM 1844 CA PHE B 117 99.934 21.404 -0.788 1.00 19.49 C ATOM 1845 C PHE B 117 100.572 20.272 -1.588 1.00 18.90 C ATOM 1846 O PHE B 117 101.688 19.844 -1.285 1.00 18.77 O ATOM 1847 CB PHE B 117 98.751 20.896 0.051 1.00 18.29 C ATOM 1848 CG PHE B 117 99.023 19.605 0.789 1.00 16.90 C ATOM 1849 CD1 PHE B 117 99.638 19.618 2.038 1.00 16.61 C ATOM 1850 CD2 PHE B 117 98.646 18.377 0.239 1.00 15.77 C ATOM 1851 CE1 PHE B 117 99.885 18.429 2.724 1.00 17.56 C ATOM 1852 CE2 PHE B 117 98.890 17.183 0.916 1.00 15.74 C ATOM 1853 CZ PHE B 117 99.511 17.209 2.162 1.00 16.27 C ATOM 1854 HA PHE B 117 100.678 21.801 -0.097 1.00 0.00 H ATOM 1855 HB2 PHE B 117 98.498 21.662 0.784 1.00 0.00 H ATOM 1856 HB3 PHE B 117 97.903 20.737 -0.615 1.00 0.00 H ATOM 1857 HD2 PHE B 117 98.154 18.352 -0.733 1.00 0.00 H ATOM 1858 HE2 PHE B 117 98.596 16.232 0.471 1.00 0.00 H ATOM 1859 HZ PHE B 117 99.704 16.279 2.696 1.00 0.00 H ATOM 1860 HE1 PHE B 117 100.370 18.454 3.700 1.00 0.00 H ATOM 1861 HD1 PHE B 117 99.930 20.568 2.485 1.00 0.00 H ATOM 1862 H PHE B 117 98.525 22.734 -1.716 1.00 0.00 H ATOM 1863 N LEU B 118 99.864 19.808 -2.617 1.00 17.69 N ATOM 1864 CA LEU B 118 100.342 18.708 -3.444 1.00 17.20 C ATOM 1865 C LEU B 118 101.584 19.090 -4.239 1.00 18.64 C ATOM 1866 O LEU B 118 102.511 18.288 -4.359 1.00 21.20 O ATOM 1867 CB LEU B 118 99.236 18.184 -4.363 1.00 16.20 C ATOM 1868 CG LEU B 118 98.185 17.294 -3.683 1.00 16.29 C ATOM 1869 CD1 LEU B 118 96.986 17.055 -4.591 1.00 13.91 C ATOM 1870 CD2 LEU B 118 98.789 15.974 -3.228 1.00 16.65 C ATOM 1871 HA LEU B 118 100.628 17.901 -2.769 1.00 0.00 H ATOM 1872 HB2 LEU B 118 98.722 19.042 -4.795 1.00 0.00 H ATOM 1873 HB3 LEU B 118 99.705 17.605 -5.158 1.00 0.00 H ATOM 1874 HG LEU B 118 97.834 17.826 -2.799 1.00 0.00 H ATOM 1875 HD21 LEU B 118 99.188 15.442 -4.091 1.00 0.00 H ATOM 1876 HD22 LEU B 118 99.592 16.169 -2.517 1.00 0.00 H ATOM 1877 HD23 LEU B 118 98.018 15.368 -2.751 1.00 0.00 H ATOM 1878 HD11 LEU B 118 96.523 18.010 -4.838 1.00 0.00 H ATOM 1879 HD12 LEU B 118 97.317 16.563 -5.506 1.00 0.00 H ATOM 1880 HD13 LEU B 118 96.263 16.421 -4.077 1.00 0.00 H ATOM 1881 H LEU B 118 98.963 20.235 -2.832 1.00 0.00 H ATOM 1882 N ASN B 119 101.611 20.317 -4.757 1.00 17.21 N ATOM 1883 CA ASN B 119 102.768 20.813 -5.499 1.00 17.05 C ATOM 1884 C ASN B 119 104.028 20.953 -4.642 1.00 18.03 C ATOM 1885 O ASN B 119 105.131 20.643 -5.095 1.00 18.45 O ATOM 1886 CB ASN B 119 102.443 22.128 -6.210 1.00 16.27 C ATOM 1887 CG ASN B 119 101.732 21.912 -7.531 1.00 17.71 C ATOM 1888 OD1 ASN B 119 100.705 22.528 -7.803 1.00 19.18 O ATOM 1889 ND2 ASN B 119 102.275 21.025 -8.360 1.00 18.79 N ATOM 1890 HA ASN B 119 102.993 20.053 -6.248 1.00 0.00 H ATOM 1891 HB2 ASN B 119 101.803 22.727 -5.562 1.00 0.00 H ATOM 1892 HB3 ASN B 119 103.373 22.664 -6.397 1.00 0.00 H ATOM 1893 HD22 ASN B 119 103.129 20.535 -8.094 1.00 0.00 H ATOM 1894 HD21 ASN B 119 101.837 20.835 -9.261 1.00 0.00 H ATOM 1895 H ASN B 119 100.803 20.926 -4.632 1.00 0.00 H ATOM 1896 N ARG B 120 103.855 21.409 -3.404 1.00 18.72 N ATOM 1897 CA ARG B 120 104.968 21.562 -2.471 1.00 20.07 C ATOM 1898 C ARG B 120 105.707 20.243 -2.232 1.00 18.42 C ATOM 1899 O ARG B 120 106.943 20.213 -2.198 1.00 17.82 O ATOM 1900 CB ARG B 120 104.481 22.155 -1.144 1.00 21.76 C ATOM 1901 CG ARG B 120 105.582 22.437 -0.128 1.00 23.38 C ATOM 1902 CD ARG B 120 106.631 23.438 -0.581 1.00 26.34 C ATOM 1903 NE ARG B 120 107.422 23.916 0.549 1.00 31.28 N ATOM 1904 CZ ARG B 120 108.139 25.034 0.555 1.00 34.16 C ATOM 1905 NH1 ARG B 120 108.180 25.815 -0.520 1.00 36.21 N ATOM 1906 NH2 ARG B 120 108.818 25.374 1.644 1.00 34.56 N ATOM 1907 HA ARG B 120 105.678 22.252 -2.927 1.00 0.00 H ATOM 1908 HB2 ARG B 120 103.969 23.093 -1.359 1.00 0.00 H ATOM 1909 HB3 ARG B 120 103.778 21.453 -0.696 1.00 0.00 H ATOM 1910 HG2 ARG B 120 105.116 22.822 0.779 1.00 0.00 H ATOM 1911 HG3 ARG B 120 106.086 21.496 0.095 1.00 0.00 H ATOM 1912 HD2 ARG B 120 106.134 24.286 -1.053 1.00 0.00 H ATOM 1913 HD3 ARG B 120 107.293 22.959 -1.302 1.00 0.00 H ATOM 1914 HE ARG B 120 107.424 23.349 1.397 1.00 0.00 H ATOM 1915 HH12 ARG B 120 108.733 26.672 -0.507 1.00 0.00 H ATOM 1916 HH11 ARG B 120 107.658 25.557 -1.358 1.00 0.00 H ATOM 1917 HH22 ARG B 120 109.370 26.232 1.654 1.00 0.00 H ATOM 1918 HH21 ARG B 120 108.788 24.778 2.471 1.00 0.00 H ATOM 1919 H ARG B 120 102.915 21.660 -3.097 1.00 0.00 H ATOM 1920 N TRP B 121 104.940 19.163 -2.082 1.00 16.51 N ATOM 1921 CA TRP B 121 105.495 17.832 -1.833 1.00 14.22 C ATOM 1922 C TRP B 121 106.037 17.175 -3.097 1.00 13.40 C ATOM 1923 O TRP B 121 107.007 16.419 -3.036 1.00 10.84 O ATOM 1924 CB TRP B 121 104.471 16.945 -1.118 1.00 13.00 C ATOM 1925 CG TRP B 121 104.197 17.444 0.267 1.00 13.27 C ATOM 1926 CD1 TRP B 121 103.046 18.022 0.721 1.00 14.11 C ATOM 1927 CD2 TRP B 121 105.108 17.448 1.371 1.00 12.22 C ATOM 1928 NE1 TRP B 121 103.180 18.373 2.043 1.00 13.78 N ATOM 1929 CE2 TRP B 121 104.437 18.033 2.467 1.00 12.49 C ATOM 1930 CE3 TRP B 121 106.428 17.009 1.551 1.00 14.51 C ATOM 1931 CZ2 TRP B 121 105.037 18.191 3.716 1.00 13.22 C ATOM 1932 CZ3 TRP B 121 107.026 17.168 2.798 1.00 13.61 C ATOM 1933 CH2 TRP B 121 106.327 17.751 3.862 1.00 13.83 C ATOM 1934 HA TRP B 121 106.353 17.957 -1.173 1.00 0.00 H ATOM 1935 HB2 TRP B 121 103.541 16.945 -1.687 1.00 0.00 H ATOM 1936 HB3 TRP B 121 104.860 15.928 -1.060 1.00 0.00 H ATOM 1937 HE1 TRP B 121 102.460 18.815 2.615 1.00 0.00 H ATOM 1938 HD1 TRP B 121 102.150 18.182 0.121 1.00 0.00 H ATOM 1939 HZ2 TRP B 121 104.499 18.648 4.547 1.00 0.00 H ATOM 1940 HH2 TRP B 121 106.820 17.857 4.828 1.00 0.00 H ATOM 1941 HZ3 TRP B 121 108.053 16.834 2.948 1.00 0.00 H ATOM 1942 HE3 TRP B 121 106.977 16.551 0.728 1.00 0.00 H ATOM 1943 H TRP B 121 103.927 19.268 -2.143 1.00 0.00 H ATOM 1944 N ILE B 122 105.413 17.481 -4.233 1.00 14.79 N ATOM 1945 CA ILE B 122 105.920 17.080 -5.541 1.00 14.95 C ATOM 1946 C ILE B 122 107.314 17.675 -5.724 1.00 16.96 C ATOM 1947 O ILE B 122 108.267 16.950 -6.013 1.00 19.19 O ATOM 1948 CB ILE B 122 104.940 17.529 -6.665 1.00 16.18 C ATOM 1949 CG1 ILE B 122 103.797 16.519 -6.811 1.00 17.42 C ATOM 1950 CG2 ILE B 122 105.654 17.727 -8.013 1.00 15.53 C ATOM 1951 CD1 ILE B 122 102.499 17.124 -7.326 1.00 17.76 C ATOM 1952 HA ILE B 122 105.993 15.994 -5.604 1.00 0.00 H ATOM 1953 HB ILE B 122 104.530 18.495 -6.370 1.00 0.00 H ATOM 1954 HG12 ILE B 122 104.113 15.741 -7.507 1.00 0.00 H ATOM 1955 HG13 ILE B 122 103.605 16.075 -5.834 1.00 0.00 H ATOM 1956 HD11 ILE B 122 102.161 17.896 -6.635 1.00 0.00 H ATOM 1957 HD12 ILE B 122 102.669 17.563 -8.309 1.00 0.00 H ATOM 1958 HD13 ILE B 122 101.741 16.344 -7.401 1.00 0.00 H ATOM 1959 HG21 ILE B 122 106.422 18.493 -7.907 1.00 0.00 H ATOM 1960 HG22 ILE B 122 106.115 16.788 -8.320 1.00 0.00 H ATOM 1961 HG23 ILE B 122 104.929 18.040 -8.764 1.00 0.00 H ATOM 1962 H ILE B 122 104.546 18.017 -4.187 1.00 0.00 H ATOM 1963 N THR B 123 107.431 18.986 -5.523 1.00 17.96 N ATOM 1964 CA THR B 123 108.713 19.679 -5.613 1.00 20.11 C ATOM 1965 C THR B 123 109.710 19.110 -4.604 1.00 19.87 C ATOM 1966 O THR B 123 110.898 18.974 -4.908 1.00 19.55 O ATOM 1967 CB THR B 123 108.528 21.201 -5.399 1.00 22.31 C ATOM 1968 OG1 THR B 123 107.536 21.697 -6.308 1.00 23.10 O ATOM 1969 CG2 THR B 123 109.788 21.968 -5.808 1.00 22.99 C ATOM 1970 HA THR B 123 109.115 19.520 -6.614 1.00 0.00 H ATOM 1971 HB THR B 123 108.274 21.339 -4.348 1.00 0.00 H ATOM 1972 HG1 THR B 123 106.703 21.248 -6.147 1.00 0.00 H ATOM 1973 HG23 THR B 123 110.619 21.664 -5.172 1.00 0.00 H ATOM 1974 HG21 THR B 123 110.025 21.746 -6.848 1.00 0.00 H ATOM 1975 HG22 THR B 123 109.614 23.038 -5.694 1.00 0.00 H ATOM 1976 H THR B 123 106.595 19.526 -5.298 1.00 0.00 H ATOM 1977 N PHE B 124 109.211 18.769 -3.416 1.00 18.16 N ATOM 1978 CA PHE B 124 110.038 18.211 -2.353 1.00 17.98 C ATOM 1979 C PHE B 124 110.740 16.929 -2.800 1.00 18.95 C ATOM 1980 O PHE B 124 111.953 16.797 -2.626 1.00 20.34 O ATOM 1981 CB PHE B 124 109.205 17.966 -1.087 1.00 17.77 C ATOM 1982 CG PHE B 124 109.912 17.146 -0.043 1.00 17.22 C ATOM 1983 CD1 PHE B 124 110.851 17.731 0.802 1.00 16.86 C ATOM 1984 CD2 PHE B 124 109.642 15.788 0.092 1.00 16.11 C ATOM 1985 CE1 PHE B 124 111.508 16.976 1.765 1.00 17.50 C ATOM 1986 CE2 PHE B 124 110.295 15.024 1.047 1.00 15.39 C ATOM 1987 CZ PHE B 124 111.228 15.617 1.888 1.00 16.60 C ATOM 1988 HA PHE B 124 110.811 18.943 -2.119 1.00 0.00 H ATOM 1989 HB2 PHE B 124 108.950 18.932 -0.651 1.00 0.00 H ATOM 1990 HB3 PHE B 124 108.291 17.445 -1.372 1.00 0.00 H ATOM 1991 HD2 PHE B 124 108.907 15.318 -0.562 1.00 0.00 H ATOM 1992 HE2 PHE B 124 110.077 13.960 1.138 1.00 0.00 H ATOM 1993 HZ PHE B 124 111.740 15.020 2.643 1.00 0.00 H ATOM 1994 HE1 PHE B 124 112.240 17.445 2.422 1.00 0.00 H ATOM 1995 HD1 PHE B 124 111.073 18.794 0.707 1.00 0.00 H ATOM 1996 H PHE B 124 108.215 18.903 -3.244 1.00 0.00 H ATOM 1997 N CYS B 125 109.974 15.997 -3.372 1.00 17.99 N ATOM 1998 CA CYS B 125 110.509 14.733 -3.885 1.00 17.16 C ATOM 1999 C CYS B 125 111.571 14.971 -4.963 1.00 19.17 C ATOM 2000 O CYS B 125 112.638 14.354 -4.939 1.00 18.06 O ATOM 2001 CB CYS B 125 109.383 13.847 -4.436 1.00 15.65 C ATOM 2002 SG CYS B 125 108.121 13.361 -3.228 1.00 14.65 S ATOM 2003 HA CYS B 125 110.984 14.217 -3.051 1.00 0.00 H ATOM 2004 HB2 CYS B 125 109.834 12.939 -4.837 1.00 0.00 H ATOM 2005 HB3 CYS B 125 108.888 14.391 -5.240 1.00 0.00 H ATOM 2006 HG CYS B 125 107.539 14.450 -2.734 1.00 0.00 H ATOM 2007 H CYS B 125 108.973 16.173 -3.456 1.00 0.00 H ATOM 2008 N GLN B 126 111.267 15.873 -5.896 1.00 21.14 N ATOM 2009 CA GLN B 126 112.200 16.277 -6.944 1.00 25.25 C ATOM 2010 C GLN B 126 113.496 16.772 -6.329 1.00 26.02 C ATOM 2011 O GLN B 126 114.585 16.336 -6.709 1.00 28.41 O ATOM 2012 CB GLN B 126 111.602 17.412 -7.770 1.00 29.22 C ATOM 2013 CG GLN B 126 110.641 16.986 -8.849 1.00 33.61 C ATOM 2014 CD GLN B 126 110.479 18.053 -9.905 1.00 36.83 C ATOM 2015 OE1 GLN B 126 111.425 18.347 -10.649 1.00 38.30 O ATOM 2016 NE2 GLN B 126 109.288 18.647 -9.972 1.00 36.01 N ATOM 2017 HA GLN B 126 112.393 15.412 -7.578 1.00 0.00 H ATOM 2018 HB2 GLN B 126 111.072 18.080 -7.091 1.00 0.00 H ATOM 2019 HB3 GLN B 126 112.422 17.953 -8.243 1.00 0.00 H ATOM 2020 HG2 GLN B 126 111.017 16.077 -9.319 1.00 0.00 H ATOM 2021 HG3 GLN B 126 109.669 16.785 -8.398 1.00 0.00 H ATOM 2022 HE22 GLN B 126 108.542 18.367 -9.335 1.00 0.00 H ATOM 2023 HE21 GLN B 126 109.122 19.382 -10.660 1.00 0.00 H ATOM 2024 H GLN B 126 110.341 16.300 -5.877 1.00 0.00 H ATOM 2025 N SER B 127 113.354 17.685 -5.372 1.00 24.95 N ATOM 2026 CA SER B 127 114.477 18.291 -4.672 1.00 23.58 C ATOM 2027 C SER B 127 115.379 17.249 -4.016 1.00 21.80 C ATOM 2028 O SER B 127 116.602 17.360 -4.097 1.00 22.34 O ATOM 2029 CB SER B 127 113.972 19.295 -3.636 1.00 23.55 C ATOM 2030 OG SER B 127 115.048 19.915 -2.962 1.00 26.81 O ATOM 2031 HA SER B 127 115.081 18.814 -5.413 1.00 0.00 H ATOM 2032 HB2 SER B 127 113.349 18.774 -2.909 1.00 0.00 H ATOM 2033 HB3 SER B 127 113.379 20.059 -4.139 1.00 0.00 H ATOM 2034 HG SER B 127 114.704 20.539 -2.319 1.00 0.00 H ATOM 2035 H SER B 127 112.410 17.975 -5.116 1.00 0.00 H ATOM 2036 N ILE B 128 114.784 16.242 -3.376 1.00 19.58 N ATOM 2037 CA ILE B 128 115.575 15.166 -2.780 1.00 18.87 C ATOM 2038 C ILE B 128 116.185 14.264 -3.857 1.00 18.02 C ATOM 2039 O ILE B 128 117.365 13.927 -3.771 1.00 18.75 O ATOM 2040 CB ILE B 128 114.780 14.348 -1.721 1.00 19.48 C ATOM 2041 CG1 ILE B 128 114.140 15.267 -0.671 1.00 19.81 C ATOM 2042 CG2 ILE B 128 115.689 13.332 -1.028 1.00 20.03 C ATOM 2043 CD1 ILE B 128 115.123 16.015 0.227 1.00 21.14 C ATOM 2044 HA ILE B 128 116.394 15.641 -2.240 1.00 0.00 H ATOM 2045 HB ILE B 128 113.986 13.818 -2.248 1.00 0.00 H ATOM 2046 HG12 ILE B 128 113.533 16.005 -1.195 1.00 0.00 H ATOM 2047 HG13 ILE B 128 113.499 14.657 -0.035 1.00 0.00 H ATOM 2048 HD11 ILE B 128 115.733 15.296 0.774 1.00 0.00 H ATOM 2049 HD12 ILE B 128 115.766 16.646 -0.387 1.00 0.00 H ATOM 2050 HD13 ILE B 128 114.569 16.635 0.932 1.00 0.00 H ATOM 2051 HG21 ILE B 128 116.097 12.646 -1.770 1.00 0.00 H ATOM 2052 HG22 ILE B 128 116.504 13.856 -0.529 1.00 0.00 H ATOM 2053 HG23 ILE B 128 115.112 12.772 -0.292 1.00 0.00 H ATOM 2054 H ILE B 128 113.767 16.222 -3.301 1.00 0.00 H ATOM 2055 N ILE B 129 115.399 13.902 -4.875 1.00 16.68 N ATOM 2056 CA ILE B 129 115.913 13.106 -5.997 1.00 16.29 C ATOM 2057 C ILE B 129 117.153 13.762 -6.617 1.00 19.10 C ATOM 2058 O ILE B 129 118.143 13.081 -6.901 1.00 20.25 O ATOM 2059 CB ILE B 129 114.808 12.812 -7.057 1.00 13.86 C ATOM 2060 CG1 ILE B 129 114.032 11.553 -6.670 1.00 13.15 C ATOM 2061 CG2 ILE B 129 115.399 12.624 -8.458 1.00 12.48 C ATOM 2062 CD1 ILE B 129 112.690 11.395 -7.374 1.00 12.68 C ATOM 2063 HA ILE B 129 116.223 12.139 -5.601 1.00 0.00 H ATOM 2064 HB ILE B 129 114.141 13.674 -7.078 1.00 0.00 H ATOM 2065 HG12 ILE B 129 114.647 10.686 -6.911 1.00 0.00 H ATOM 2066 HG13 ILE B 129 113.852 11.581 -5.595 1.00 0.00 H ATOM 2067 HD11 ILE B 129 112.053 12.246 -7.134 1.00 0.00 H ATOM 2068 HD12 ILE B 129 112.849 11.351 -8.451 1.00 0.00 H ATOM 2069 HD13 ILE B 129 112.211 10.475 -7.038 1.00 0.00 H ATOM 2070 HG21 ILE B 129 115.925 13.532 -8.754 1.00 0.00 H ATOM 2071 HG22 ILE B 129 116.096 11.786 -8.448 1.00 0.00 H ATOM 2072 HG23 ILE B 129 114.595 12.421 -9.166 1.00 0.00 H ATOM 2073 H ILE B 129 114.419 14.185 -4.873 1.00 0.00 H ATOM 2074 N SER B 130 117.098 15.083 -6.791 1.00 18.95 N ATOM 2075 CA SER B 130 118.228 15.867 -7.292 1.00 20.02 C ATOM 2076 C SER B 130 119.487 15.764 -6.410 1.00 22.01 C ATOM 2077 O SER B 130 120.587 15.546 -6.926 1.00 21.37 O ATOM 2078 CB SER B 130 117.817 17.332 -7.473 1.00 18.92 C ATOM 2079 OG SER B 130 118.745 18.037 -8.280 1.00 21.99 O ATOM 2080 HA SER B 130 118.498 15.439 -8.257 1.00 0.00 H ATOM 2081 HB2 SER B 130 117.765 17.809 -6.494 1.00 0.00 H ATOM 2082 HB3 SER B 130 116.836 17.369 -7.947 1.00 0.00 H ATOM 2083 HG SER B 130 118.459 18.949 -8.373 1.00 0.00 H ATOM 2084 H SER B 130 116.230 15.569 -6.565 1.00 0.00 H ATOM 2085 N THR B 131 119.321 15.906 -5.091 1.00 24.29 N ATOM 2086 CA THR B 131 120.460 15.922 -4.162 1.00 26.70 C ATOM 2087 C THR B 131 121.201 14.593 -4.077 1.00 27.84 C ATOM 2088 O THR B 131 122.428 14.575 -4.008 1.00 28.03 O ATOM 2089 CB THR B 131 120.065 16.405 -2.743 1.00 25.97 C ATOM 2090 OG1 THR B 131 118.779 15.889 -2.397 1.00 27.96 O ATOM 2091 CG2 THR B 131 119.865 17.917 -2.713 1.00 26.83 C ATOM 2092 HA THR B 131 121.150 16.648 -4.593 1.00 0.00 H ATOM 2093 HB THR B 131 120.861 16.079 -2.073 1.00 0.00 H ATOM 2094 HG1 THR B 131 118.129 16.201 -3.031 1.00 0.00 H ATOM 2095 HG23 THR B 131 120.803 18.411 -2.967 1.00 0.00 H ATOM 2096 HG21 THR B 131 119.098 18.195 -3.436 1.00 0.00 H ATOM 2097 HG22 THR B 131 119.551 18.221 -1.714 1.00 0.00 H ATOM 2098 H THR B 131 118.377 16.006 -4.719 1.00 0.00 H ATOM 2099 N LEU B 132 120.466 13.485 -4.081 1.00 29.30 N ATOM 2100 CA LEU B 132 121.111 12.174 -4.048 1.00 32.04 C ATOM 2101 C LEU B 132 121.336 11.576 -5.443 1.00 31.79 C ATOM 2102 O LEU B 132 121.520 10.370 -5.583 1.00 31.77 O ATOM 2103 CB LEU B 132 120.387 11.187 -3.108 1.00 34.04 C ATOM 2104 CG LEU B 132 118.899 11.263 -2.754 1.00 34.68 C ATOM 2105 CD1 LEU B 132 118.029 10.688 -3.860 1.00 36.46 C ATOM 2106 CD2 LEU B 132 118.632 10.529 -1.458 1.00 34.24 C ATOM 2107 HA LEU B 132 122.103 12.346 -3.629 1.00 0.00 H ATOM 2108 HB2 LEU B 132 120.534 10.201 -3.548 1.00 0.00 H ATOM 2109 HB3 LEU B 132 120.918 11.243 -2.158 1.00 0.00 H ATOM 2110 HG LEU B 132 118.642 12.316 -2.636 1.00 0.00 H ATOM 2111 HD21 LEU B 132 118.920 9.484 -1.568 1.00 0.00 H ATOM 2112 HD22 LEU B 132 119.214 10.985 -0.657 1.00 0.00 H ATOM 2113 HD23 LEU B 132 117.570 10.591 -1.219 1.00 0.00 H ATOM 2114 HD11 LEU B 132 118.193 11.250 -4.779 1.00 0.00 H ATOM 2115 HD12 LEU B 132 118.292 9.642 -4.021 1.00 0.00 H ATOM 2116 HD13 LEU B 132 116.981 10.760 -3.571 1.00 0.00 H ATOM 2117 H LEU B 132 119.448 13.550 -4.107 1.00 0.00 H ATOM 2118 N THR B 133 121.353 12.433 -6.463 1.00 32.92 N ATOM 2119 CA THR B 133 121.556 11.998 -7.844 1.00 33.20 C ATOM 2120 C THR B 133 122.998 12.189 -8.317 1.00 34.54 C ATOM 2121 O THR B 133 123.678 13.124 -7.898 1.00 34.36 O ATOM 2122 CB THR B 133 120.544 12.693 -8.787 1.00 33.83 C ATOM 2123 OG1 THR B 133 119.826 11.698 -9.525 1.00 35.95 O ATOM 2124 CG2 THR B 133 121.235 13.518 -9.874 1.00 36.00 C ATOM 2125 HA THR B 133 121.371 10.924 -7.876 1.00 0.00 H ATOM 2126 HB THR B 133 119.919 13.318 -8.149 1.00 0.00 H ATOM 2127 HG1 THR B 133 119.198 12.127 -10.111 1.00 0.00 H ATOM 2128 HG23 THR B 133 121.817 14.314 -9.409 1.00 0.00 H ATOM 2129 HG21 THR B 133 121.897 12.873 -10.452 1.00 0.00 H ATOM 2130 HG22 THR B 133 120.482 13.953 -10.532 1.00 0.00 H ATOM 2131 H THR B 133 121.220 13.426 -6.274 1.00 0.00 H TER 2132 THR B 133 HETATM 2133 N1 NON A 1 94.312 19.307 9.337 1.00 -0.28 N HETATM 2134 C2 NON A 1 94.141 20.563 8.954 1.00 0.29 C HETATM 2135 N3 NON A 1 94.795 21.012 7.888 1.00 -0.28 N HETATM 2136 H3 NON A 1 94.670 21.987 7.580 1.00 0.26 H HETATM 2137 H4 NON A 1 95.427 20.385 7.370 1.00 0.26 H HETATM 2138 N4 NON A 1 93.317 21.346 9.652 1.00 -0.25 N HETATM 2139 C5 NON A 1 92.461 22.359 9.054 1.00 0.17 C HETATM 2140 C6 NON A 1 92.602 23.630 9.887 1.00 0.01 C HETATM 2141 C7 NON A 1 94.015 24.208 9.758 1.00 -0.04 C HETATM 2142 C8 NON A 1 94.202 25.486 10.581 1.00 -0.05 C HETATM 2143 C9 NON A 1 93.131 26.534 10.269 1.00 -0.05 C HETATM 2144 C10 NON A 1 91.722 25.953 10.378 1.00 -0.05 C HETATM 2145 C11 NON A 1 91.574 24.699 9.515 1.00 -0.04 C HETATM 2146 H16 NON A 1 90.564 24.287 9.656 1.00 0.03 H HETATM 2147 H17 NON A 1 91.713 24.975 8.459 1.00 0.03 H HETATM 2148 H14 NON A 1 90.996 26.708 10.042 1.00 0.03 H HETATM 2149 H15 NON A 1 91.521 25.692 11.428 1.00 0.03 H HETATM 2150 H12 NON A 1 93.284 26.907 9.245 1.00 0.03 H HETATM 2151 H13 NON A 1 93.229 27.367 10.981 1.00 0.03 H HETATM 2152 H10 NON A 1 95.191 25.912 10.355 1.00 0.03 H HETATM 2153 H11 NON A 1 94.148 25.231 11.650 1.00 0.03 H HETATM 2154 H8 NON A 1 94.207 24.439 8.700 1.00 0.03 H HETATM 2155 H9 NON A 1 94.737 23.455 10.106 1.00 0.03 H HETATM 2156 H7 NON A 1 92.437 23.357 10.940 1.00 0.04 H HETATM 2157 C12 NON A 1 91.034 21.887 8.954 1.00 0.22 C HETATM 2158 O13 NON A 1 90.470 21.400 9.920 1.00 -0.39 O HETATM 2159 N14 NON A 1 90.437 22.017 7.769 1.00 -0.27 N HETATM 2160 C15 NON A 1 89.201 22.514 7.672 1.00 0.12 C HETATM 2161 C16 NON A 1 88.821 23.187 6.570 1.00 0.20 C HETATM 2162 O17 NON A 1 89.668 23.740 5.883 1.00 -0.39 O HETATM 2163 N18 NON A 1 87.450 23.259 6.190 1.00 -0.27 N HETATM 2164 C19 NON A 1 86.461 22.366 6.815 1.00 0.04 C HETATM 2165 C20 NON A 1 85.720 21.619 5.707 1.00 -0.02 C HETATM 2166 C21 NON A 1 85.142 22.563 4.644 1.00 0.02 C HETATM 2167 C22 NON A 1 86.246 23.440 4.042 1.00 -0.02 C HETATM 2168 C23 NON A 1 86.992 24.201 5.145 1.00 0.04 C HETATM 2169 H25 NON A 1 87.863 24.713 4.709 1.00 0.05 H HETATM 2170 H26 NON A 1 86.317 24.944 5.595 1.00 0.05 H HETATM 2171 H27 NON A 1 86.958 22.802 3.498 1.00 0.03 H HETATM 2172 H28 NON A 1 85.795 24.162 3.346 1.00 0.03 H HETATM 2173 C24 NON A 1 84.366 21.735 3.674 1.00 0.07 C HETATM 2174 N25 NON A 1 83.189 21.116 3.877 1.00 -0.22 N HETATM 2175 N26 NON A 1 82.840 20.479 2.794 1.00 -0.23 N HETATM 2176 C27 NON A 1 83.809 20.706 1.907 1.00 0.02 C HETATM 2177 C28 NON A 1 84.844 21.497 2.384 1.00 -0.04 C HETATM 2178 H31 NON A 1 85.758 21.833 1.897 1.00 0.03 H HETATM 2179 C29 NON A 1 83.682 20.119 0.645 1.00 -0.00 C HETATM 2180 C34 NON A 1 84.819 19.515 -0.104 1.00 0.06 C HETATM 2181 CL36 NON A 1 86.501 19.527 0.507 1.00 -0.07 CL HETATM 2182 C33 NON A 1 84.535 18.894 -1.424 1.00 0.05 C HETATM 2183 C32 NON A 1 83.232 18.884 -1.912 1.00 -0.05 C HETATM 2184 C31 NON A 1 82.190 19.447 -1.174 1.00 -0.06 C HETATM 2185 C30 NON A 1 82.408 20.042 0.072 1.00 -0.05 C HETATM 2186 H32 NON A 1 81.564 20.457 0.611 1.00 0.06 H HETATM 2187 H33 NON A 1 81.184 19.422 -1.578 1.00 0.06 H HETATM 2188 H34 NON A 1 83.024 18.434 -2.876 1.00 0.06 H HETATM 2189 CL35 NON A 1 85.869 18.159 -2.369 1.00 -0.07 CL HETATM 2190 H30 NON A 1 82.647 21.141 4.753 1.00 0.26 H HETATM 2191 H29 NON A 1 84.430 23.243 5.135 1.00 0.05 H HETATM 2192 H23 NON A 1 84.895 21.048 6.158 1.00 0.03 H HETATM 2193 H24 NON A 1 86.421 20.926 5.219 1.00 0.03 H HETATM 2194 H21 NON A 1 85.747 22.958 7.406 1.00 0.05 H HETATM 2195 H22 NON A 1 86.972 21.646 7.471 1.00 0.05 H HETATM 2196 H19 NON A 1 89.069 23.200 8.522 1.00 0.08 H HETATM 2197 H20 NON A 1 88.510 21.664 7.776 1.00 0.08 H HETATM 2198 H18 NON A 1 90.922 21.738 6.940 1.00 0.19 H HETATM 2199 H6 NON A 1 92.818 22.567 8.035 1.00 0.10 H HETATM 2200 H5 NON A 1 93.285 21.226 10.675 1.00 0.27 H HETATM 2201 H1 NON A 1 94.945 18.689 8.809 1.00 0.26 H HETATM 2202 H2 NON A 1 93.812 18.948 10.163 1.00 0.26 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 923 922 1677 CONECT 1677 923 1676 CONECT 2133 2134 2201 2202 CONECT 2134 2133 2135 2138 CONECT 2135 2134 2136 2137 CONECT 2136 2135 CONECT 2137 2135 CONECT 2138 2134 2139 2200 CONECT 2139 2138 2140 2157 2199 CONECT 2140 2139 2141 2145 2156 CONECT 2141 2140 2142 2154 2155 CONECT 2142 2141 2143 2152 2153 CONECT 2143 2142 2144 2150 2151 CONECT 2144 2143 2145 2148 2149 CONECT 2145 2140 2144 2146 2147 CONECT 2146 2145 CONECT 2147 2145 CONECT 2148 2144 CONECT 2149 2144 CONECT 2150 2143 CONECT 2151 2143 CONECT 2152 2142 CONECT 2153 2142 CONECT 2154 2141 CONECT 2155 2141 CONECT 2156 2140 CONECT 2157 2139 2158 2159 CONECT 2158 2157 CONECT 2159 2157 2160 2198 CONECT 2160 2159 2161 2196 2197 CONECT 2161 2160 2162 2163 CONECT 2162 2161 CONECT 2163 2161 2164 2168 CONECT 2164 2163 2165 2194 2195 CONECT 2165 2164 2166 2192 2193 CONECT 2166 2165 2167 2173 2191 CONECT 2167 2166 2168 2171 2172 CONECT 2168 2163 2167 2169 2170 CONECT 2169 2168 CONECT 2170 2168 CONECT 2171 2167 CONECT 2172 2167 CONECT 2173 2166 2174 2177 CONECT 2174 2173 2175 2190 CONECT 2175 2174 2176 CONECT 2176 2175 2177 2179 CONECT 2177 2173 2176 2178 CONECT 2178 2177 CONECT 2179 2176 2180 2185 CONECT 2180 2179 2181 2182 CONECT 2181 2180 CONECT 2182 2180 2183 2189 CONECT 2183 2182 2184 2188 CONECT 2184 2183 2185 2187 CONECT 2185 2179 2184 2186 CONECT 2186 2185 CONECT 2187 2184 CONECT 2188 2183 CONECT 2189 2182 CONECT 2190 2174 CONECT 2191 2166 CONECT 2192 2165 CONECT 2193 2165 CONECT 2194 2164 CONECT 2195 2164 CONECT 2196 2160 CONECT 2197 2160 CONECT 2198 2159 CONECT 2199 2139 CONECT 2200 2138 CONECT 2201 2133 CONECT 2202 2133 MASTER 0 0 0 0 0 0 0 0 2201 1 76 10 END
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Structure:
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Related entries of code: 1pw6
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Protein Sequence Similarity
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RCSB PDB
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5m5e
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1pw6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
interleukin-2
Ligand Name
FRB
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
IC50=6uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc. v125 pp. 15280-1, 2003
Ligand Properties
Formula
C
2
5
H
3
4
Cl
2
N
7
O
2
Molecular Weight
535.489
Exact Mass
534.215
No. of atoms
70
No. of bonds
73
Polar Surface Area
141.73
LOGP Value
5.71 (
Computed with XLOGP3
)
3.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=C(N1CC[C@H](CC1)c1[nH]nc(c1)c1cccc(c1Cl)Cl)CNC(=O)[C@@H](C1CCCCC1)NC(=[NH2+])N
InChI String
InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/p+1/t23-/m1/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):
P60568
Entrez Gene ID
NCBI Entrez Gene ID:
3558
ASD
Information of known allosteric effects of PDB entries
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