Browse entries in the PDBbind-CN Database
HEADER 5ML2_COMPLEX COMPND 5ML2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 110 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 110 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU THR SEQRES 3 B 110 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 110 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 110 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 110 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 110 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 110 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 110 GLN SER LEU ILE GLU ALA SEQRES 1 B 34 MET MET PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE SEQRES 2 B 34 GLU THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SEQRES 3 B 34 SER ARG VAL ARG LEU PHE TYR VAL HET NH A 6 61 ATOM 1 N SER B 2 -3.775 1.209 15.972 1.00 36.42 N ATOM 2 CA SER B 2 -3.737 1.774 17.355 1.00 35.76 C ATOM 3 C SER B 2 -5.117 1.693 17.978 1.00 34.07 C ATOM 4 O SER B 2 -6.112 1.534 17.252 1.00 33.12 O ATOM 5 CB SER B 2 -3.262 3.229 17.330 1.00 39.81 C ATOM 6 OG SER B 2 -3.907 3.955 16.293 1.00 43.32 O ATOM 7 HG SER B 2 -3.584 4.891 16.297 1.00 0.00 H ATOM 8 HN3 SER B 2 -4.447 1.754 15.395 1.00 0.00 H ATOM 9 HN2 SER B 2 -4.078 0.215 16.013 1.00 0.00 H ATOM 10 HN1 SER B 2 -2.827 1.267 15.549 1.00 0.00 H ATOM 11 N ALA B 3 -5.172 1.803 19.304 1.00 32.02 N ATOM 12 CA ALA B 3 -6.441 1.818 20.022 1.00 32.47 C ATOM 13 C ALA B 3 -7.252 3.053 19.609 1.00 32.53 C ATOM 14 O ALA B 3 -8.471 2.973 19.446 1.00 29.25 O ATOM 15 CB ALA B 3 -6.218 1.820 21.528 1.00 34.00 C ATOM 16 H ALA B 3 -4.285 1.880 19.842 1.00 0.00 H ATOM 17 N LYS B 4 -6.552 4.173 19.428 1.00 33.70 N ATOM 18 CA LYS B 4 -7.179 5.432 19.018 1.00 33.91 C ATOM 19 C LYS B 4 -7.812 5.333 17.634 1.00 30.36 C ATOM 20 O LYS B 4 -8.923 5.821 17.427 1.00 26.43 O ATOM 21 CB LYS B 4 -6.156 6.574 19.051 1.00 38.31 C ATOM 22 CG LYS B 4 -5.636 6.881 20.443 1.00 42.67 C ATOM 23 CD LYS B 4 -4.407 7.778 20.401 1.00 46.38 C ATOM 24 CE LYS B 4 -3.559 7.610 21.655 1.00 50.32 C ATOM 25 NZ LYS B 4 -2.351 8.481 21.626 1.00 52.31 N ATOM 26 HZ1 LYS B 4 -1.768 8.235 20.801 1.00 0.00 H ATOM 27 HZ2 LYS B 4 -2.644 9.477 21.560 1.00 0.00 H ATOM 28 HZ3 LYS B 4 -1.801 8.337 22.497 1.00 0.00 H ATOM 29 H LYS B 4 -5.524 4.152 19.583 1.00 0.00 H ATOM 30 N ASP B 5 -7.109 4.703 16.697 1.00 29.74 N ATOM 31 CA ASP B 5 -7.601 4.473 15.331 1.00 29.32 C ATOM 32 C ASP B 5 -8.870 3.596 15.364 1.00 24.46 C ATOM 33 O ASP B 5 -9.862 3.869 14.687 1.00 21.79 O ATOM 34 CB ASP B 5 -6.523 3.771 14.499 1.00 33.22 C ATOM 35 CG ASP B 5 -6.744 3.900 13.003 1.00 37.81 C ATOM 36 OD1 ASP B 5 -7.688 3.278 12.462 1.00 48.02 O ATOM 37 OD2 ASP B 5 -5.947 4.614 12.347 1.00 46.68 O ATOM 38 H ASP B 5 -6.161 4.355 16.944 1.00 0.00 H ATOM 39 N GLU B 6 -8.820 2.544 16.169 1.00 23.55 N ATOM 40 CA GLU B 6 -9.983 1.682 16.329 1.00 21.59 C ATOM 41 C GLU B 6 -11.143 2.454 16.953 1.00 19.13 C ATOM 42 O GLU B 6 -12.301 2.328 16.526 1.00 17.48 O ATOM 43 CB GLU B 6 -9.625 0.471 17.196 1.00 23.66 C ATOM 44 CG GLU B 6 -10.702 -0.592 17.224 1.00 26.77 C ATOM 45 CD GLU B 6 -10.852 -1.333 15.899 1.00 30.07 C ATOM 46 OE1 GLU B 6 -9.958 -1.247 15.028 1.00 35.72 O ATOM 47 OE2 GLU B 6 -11.859 -2.041 15.741 1.00 38.08 O ATOM 48 H GLU B 6 -7.945 2.333 16.690 1.00 0.00 H ATOM 49 N ARG B 7 -10.841 3.265 17.961 1.00 19.62 N ATOM 50 CA ARG B 7 -11.846 4.059 18.617 1.00 18.64 C ATOM 51 C ARG B 7 -12.487 5.049 17.637 1.00 17.35 C ATOM 52 O ARG B 7 -13.708 5.184 17.631 1.00 17.34 O ATOM 53 CB ARG B 7 -11.248 4.830 19.796 1.00 20.83 C ATOM 54 CG ARG B 7 -12.225 5.707 20.528 1.00 22.96 C ATOM 55 CD ARG B 7 -13.379 4.883 21.012 1.00 24.96 C ATOM 56 NE ARG B 7 -14.380 5.630 21.737 1.00 26.94 N ATOM 57 CZ ARG B 7 -15.626 5.213 21.910 1.00 25.84 C ATOM 58 NH1 ARG B 7 -16.024 4.058 21.385 1.00 23.55 N ATOM 59 NH2 ARG B 7 -16.468 5.974 22.600 1.00 26.17 N ATOM 60 HE ARG B 7 -14.108 6.547 22.146 1.00 0.00 H ATOM 61 HH12 ARG B 7 -17.003 3.734 21.523 1.00 0.00 H ATOM 62 HH11 ARG B 7 -15.357 3.479 20.837 1.00 0.00 H ATOM 63 HH22 ARG B 7 -17.450 5.663 22.746 1.00 0.00 H ATOM 64 HH21 ARG B 7 -16.146 6.881 22.994 1.00 0.00 H ATOM 65 H ARG B 7 -9.854 3.328 18.284 1.00 0.00 H ATOM 66 N ALA B 8 -11.675 5.722 16.814 1.00 17.97 N ATOM 67 CA ALA B 8 -12.236 6.636 15.795 1.00 17.87 C ATOM 68 C ALA B 8 -13.197 5.892 14.861 1.00 17.08 C ATOM 69 O ALA B 8 -14.283 6.397 14.529 1.00 17.04 O ATOM 70 CB ALA B 8 -11.131 7.299 14.999 1.00 18.18 C ATOM 71 H ALA B 8 -10.645 5.602 16.891 1.00 0.00 H ATOM 72 N ARG B 9 -12.803 4.707 14.430 1.00 16.67 N ATOM 73 CA ARG B 9 -13.664 3.896 13.562 1.00 17.61 C ATOM 74 C ARG B 9 -14.963 3.481 14.251 1.00 15.78 C ATOM 75 O ARG B 9 -16.003 3.440 13.605 1.00 15.90 O ATOM 76 CB ARG B 9 -12.932 2.671 13.023 1.00 19.91 C ATOM 77 CG ARG B 9 -11.818 3.027 12.043 1.00 24.09 C ATOM 78 CD ARG B 9 -11.240 1.779 11.406 1.00 29.50 C ATOM 79 NE ARG B 9 -10.100 2.067 10.539 1.00 37.76 N ATOM 80 CZ ARG B 9 -9.438 1.141 9.838 1.00 40.75 C ATOM 81 NH1 ARG B 9 -9.795 -0.144 9.898 1.00 43.91 N ATOM 82 NH2 ARG B 9 -8.416 1.498 9.069 1.00 44.65 N ATOM 83 HE ARG B 9 -9.783 3.055 10.462 1.00 0.00 H ATOM 84 HH12 ARG B 9 -9.272 -0.855 9.348 1.00 0.00 H ATOM 85 HH11 ARG B 9 -10.596 -0.434 10.495 1.00 0.00 H ATOM 86 HH22 ARG B 9 -7.900 0.779 8.523 1.00 0.00 H ATOM 87 HH21 ARG B 9 -8.132 2.497 9.013 1.00 0.00 H ATOM 88 H ARG B 9 -11.869 4.344 14.710 1.00 0.00 H ATOM 89 N GLU B 10 -14.908 3.169 15.550 1.00 15.24 N ATOM 90 CA GLU B 10 -16.109 2.807 16.290 1.00 15.79 C ATOM 91 C GLU B 10 -17.069 4.008 16.381 1.00 14.72 C ATOM 92 O GLU B 10 -18.281 3.866 16.200 1.00 14.63 O ATOM 93 CB GLU B 10 -15.739 2.299 17.699 1.00 17.11 C ATOM 94 H GLU B 10 -13.991 3.185 16.041 1.00 0.00 H ATOM 95 N ILE B 11 -16.536 5.198 16.656 1.00 14.42 N ATOM 96 CA ILE B 11 -17.375 6.388 16.719 1.00 14.55 C ATOM 97 C ILE B 11 -18.033 6.665 15.365 1.00 14.97 C ATOM 98 O ILE B 11 -19.223 6.913 15.291 1.00 15.32 O ATOM 99 CB ILE B 11 -16.588 7.624 17.195 1.00 15.67 C ATOM 100 CG1 ILE B 11 -16.048 7.385 18.616 1.00 16.30 C ATOM 101 CG2 ILE B 11 -17.476 8.863 17.163 1.00 15.86 C ATOM 102 CD1 ILE B 11 -15.012 8.391 19.052 1.00 16.36 C ATOM 103 H ILE B 11 -15.513 5.278 16.827 1.00 0.00 H ATOM 104 N LEU B 12 -17.239 6.587 14.302 1.00 14.86 N ATOM 105 CA LEU B 12 -17.775 6.817 12.969 1.00 14.62 C ATOM 106 C LEU B 12 -18.874 5.804 12.660 1.00 14.04 C ATOM 107 O LEU B 12 -19.950 6.176 12.222 1.00 15.30 O ATOM 108 CB LEU B 12 -16.670 6.798 11.933 1.00 15.28 C ATOM 109 CG LEU B 12 -17.186 6.933 10.491 1.00 16.08 C ATOM 110 CD1 LEU B 12 -17.998 8.197 10.264 1.00 18.09 C ATOM 111 CD2 LEU B 12 -16.007 6.823 9.556 1.00 17.31 C ATOM 112 H LEU B 12 -16.231 6.361 14.423 1.00 0.00 H ATOM 113 N ARG B 13 -18.604 4.529 12.928 1.00 14.85 N ATOM 114 CA ARG B 13 -19.614 3.496 12.712 1.00 14.35 C ATOM 115 C ARG B 13 -20.939 3.794 13.403 1.00 14.68 C ATOM 116 O ARG B 13 -22.008 3.503 12.847 1.00 15.38 O ATOM 117 CB ARG B 13 -19.099 2.132 13.172 1.00 14.11 C ATOM 118 CG ARG B 13 -20.103 0.999 13.091 1.00 14.26 C ATOM 119 CD ARG B 13 -19.507 -0.359 13.474 1.00 14.23 C ATOM 120 NE ARG B 13 -20.608 -1.300 13.456 1.00 15.03 N ATOM 121 CZ ARG B 13 -21.139 -1.825 12.354 1.00 16.18 C ATOM 122 NH1 ARG B 13 -20.629 -1.589 11.151 1.00 15.77 N ATOM 123 NH2 ARG B 13 -22.219 -2.573 12.450 1.00 17.87 N ATOM 124 HE ARG B 13 -21.013 -1.586 14.370 1.00 0.00 H ATOM 125 HH12 ARG B 13 -21.066 -2.014 10.308 1.00 0.00 H ATOM 126 HH11 ARG B 13 -19.792 -0.979 11.051 1.00 0.00 H ATOM 127 HH22 ARG B 13 -22.642 -2.988 11.595 1.00 0.00 H ATOM 128 HH21 ARG B 13 -22.649 -2.749 13.381 1.00 0.00 H ATOM 129 H ARG B 13 -17.667 4.266 13.294 1.00 0.00 H ATOM 130 N GLY B 14 -20.876 4.358 14.605 1.00 14.41 N ATOM 131 CA GLY B 14 -22.068 4.641 15.376 1.00 14.86 C ATOM 132 C GLY B 14 -22.743 5.957 15.130 1.00 15.06 C ATOM 133 O GLY B 14 -23.776 6.230 15.761 1.00 15.69 O ATOM 134 H GLY B 14 -19.946 4.602 15.002 1.00 0.00 H ATOM 135 N PHE B 15 -22.203 6.773 14.221 1.00 14.63 N ATOM 136 CA PHE B 15 -22.685 8.144 14.030 1.00 15.84 C ATOM 137 C PHE B 15 -23.613 8.264 12.824 1.00 15.21 C ATOM 138 O PHE B 15 -23.367 7.647 11.782 1.00 16.56 O ATOM 139 CB PHE B 15 -21.490 9.065 13.821 1.00 15.97 C ATOM 140 CG PHE B 15 -21.847 10.524 13.670 1.00 17.25 C ATOM 141 CD1 PHE B 15 -22.036 11.322 14.793 1.00 19.03 C ATOM 142 CD2 PHE B 15 -21.945 11.090 12.413 1.00 19.41 C ATOM 143 CE1 PHE B 15 -22.336 12.685 14.656 1.00 19.69 C ATOM 144 CE2 PHE B 15 -22.248 12.438 12.283 1.00 20.87 C ATOM 145 CZ PHE B 15 -22.447 13.223 13.404 1.00 20.57 C ATOM 146 H PHE B 15 -21.419 6.426 13.632 1.00 0.00 H ATOM 147 N LYS B 16 -24.650 9.094 12.940 1.00 16.26 N ATOM 148 CA LYS B 16 -25.419 9.491 11.760 1.00 17.58 C ATOM 149 C LYS B 16 -25.917 10.920 11.930 1.00 17.22 C ATOM 150 O LYS B 16 -26.412 11.294 12.991 1.00 18.05 O ATOM 151 CB LYS B 16 -26.621 8.577 11.547 1.00 19.84 C ATOM 152 CG LYS B 16 -27.314 8.784 10.211 1.00 22.82 C ATOM 153 CD LYS B 16 -28.387 7.745 9.913 1.00 26.27 C ATOM 154 CE LYS B 16 -28.951 7.951 8.514 1.00 28.09 C ATOM 155 NZ LYS B 16 -30.206 7.188 8.318 1.00 31.96 N ATOM 156 HZ1 LYS B 16 -30.018 6.174 8.452 1.00 0.00 H ATOM 157 HZ2 LYS B 16 -30.915 7.505 9.010 1.00 0.00 H ATOM 158 HZ3 LYS B 16 -30.563 7.351 7.355 1.00 0.00 H ATOM 159 H LYS B 16 -24.914 9.462 13.876 1.00 0.00 H ATOM 160 N LEU B 17 -25.839 11.701 10.853 1.00 17.43 N ATOM 161 CA LEU B 17 -26.484 12.990 10.795 1.00 18.85 C ATOM 162 C LEU B 17 -27.862 12.741 10.186 1.00 18.75 C ATOM 163 O LEU B 17 -27.964 12.281 9.057 1.00 19.90 O ATOM 164 CB LEU B 17 -25.638 13.940 9.943 1.00 20.98 C ATOM 165 CG LEU B 17 -25.952 15.428 9.956 1.00 25.08 C ATOM 166 CD1 LEU B 17 -24.759 16.193 9.389 1.00 25.50 C ATOM 167 CD2 LEU B 17 -27.210 15.726 9.177 1.00 27.34 C ATOM 168 H LEU B 17 -25.297 11.371 10.029 1.00 0.00 H ATOM 169 N ASN B 18 -28.907 13.017 10.964 1.00 18.58 N ATOM 170 CA ASN B 18 -30.292 12.693 10.588 1.00 19.36 C ATOM 171 C ASN B 18 -30.947 13.773 9.744 1.00 20.75 C ATOM 172 O ASN B 18 -31.593 13.456 8.736 1.00 22.52 O ATOM 173 CB ASN B 18 -31.131 12.463 11.821 1.00 19.90 C ATOM 174 CG ASN B 18 -30.593 11.345 12.695 1.00 20.83 C ATOM 175 OD1 ASN B 18 -30.377 10.236 12.224 1.00 22.42 O ATOM 176 ND2 ASN B 18 -30.356 11.646 13.963 1.00 20.92 N ATOM 177 HD22 ASN B 18 -30.556 12.603 14.316 1.00 0.00 H ATOM 178 HD21 ASN B 18 -29.970 10.925 14.605 1.00 0.00 H ATOM 179 H ASN B 18 -28.736 13.482 11.878 1.00 0.00 H ATOM 180 N TRP B 19 -30.792 15.017 10.162 1.00 19.56 N ATOM 181 CA TRP B 19 -31.324 16.149 9.395 1.00 20.76 C ATOM 182 C TRP B 19 -30.588 17.416 9.759 1.00 20.35 C ATOM 183 O TRP B 19 -29.906 17.483 10.770 1.00 19.28 O ATOM 184 CB TRP B 19 -32.838 16.325 9.609 1.00 21.21 C ATOM 185 CG TRP B 19 -33.327 16.500 11.032 1.00 22.17 C ATOM 186 CD1 TRP B 19 -33.866 15.528 11.823 1.00 23.39 C ATOM 187 CD2 TRP B 19 -33.348 17.707 11.812 1.00 23.68 C ATOM 188 NE1 TRP B 19 -34.215 16.048 13.041 1.00 23.93 N ATOM 189 CE2 TRP B 19 -33.919 17.383 13.066 1.00 25.19 C ATOM 190 CE3 TRP B 19 -32.943 19.025 11.579 1.00 25.28 C ATOM 191 CZ2 TRP B 19 -34.077 18.335 14.089 1.00 24.66 C ATOM 192 CZ3 TRP B 19 -33.101 19.973 12.597 1.00 26.33 C ATOM 193 CH2 TRP B 19 -33.669 19.617 13.835 1.00 26.60 C ATOM 194 HE1 TRP B 19 -34.639 15.511 13.825 1.00 0.00 H ATOM 195 H TRP B 19 -30.283 15.197 11.051 1.00 0.00 H ATOM 196 N MET B 20 -30.721 18.432 8.908 1.00 20.00 N ATOM 197 CA MET B 20 -30.077 19.678 9.151 1.00 20.56 C ATOM 198 C MET B 20 -30.843 20.770 8.446 1.00 20.29 C ATOM 199 O MET B 20 -31.461 20.536 7.414 1.00 20.01 O ATOM 200 CB MET B 20 -28.642 19.623 8.627 1.00 21.46 C ATOM 201 CG MET B 20 -27.837 20.895 8.764 1.00 23.70 C ATOM 202 SD MET B 20 -26.073 20.582 8.532 1.00 26.53 S ATOM 203 CE MET B 20 -26.016 19.667 6.994 1.00 25.52 C ATOM 204 H MET B 20 -31.303 18.313 8.054 1.00 0.00 H ATOM 205 N ASN B 21 -30.779 21.958 9.009 1.00 20.16 N ATOM 206 CA ASN B 21 -31.285 23.148 8.318 1.00 23.14 C ATOM 207 C ASN B 21 -30.465 24.396 8.612 1.00 22.76 C ATOM 208 O ASN B 21 -29.704 24.449 9.579 1.00 23.24 O ATOM 209 CB ASN B 21 -32.775 23.360 8.614 1.00 24.87 C ATOM 210 CG ASN B 21 -33.063 23.665 10.073 1.00 26.45 C ATOM 211 OD1 ASN B 21 -32.475 24.567 10.671 1.00 30.06 O ATOM 212 ND2 ASN B 21 -33.994 22.927 10.641 1.00 28.71 N ATOM 213 HD22 ASN B 21 -34.465 22.175 10.098 1.00 0.00 H ATOM 214 HD21 ASN B 21 -34.258 23.096 11.633 1.00 0.00 H ATOM 215 H ASN B 21 -30.364 22.054 9.958 1.00 0.00 H ATOM 216 N LEU B 22 -30.601 25.392 7.730 1.00 22.60 N ATOM 217 CA LEU B 22 -29.969 26.679 7.878 1.00 23.03 C ATOM 218 C LEU B 22 -31.033 27.741 7.799 1.00 24.39 C ATOM 219 O LEU B 22 -31.932 27.623 6.978 1.00 23.39 O ATOM 220 CB LEU B 22 -29.025 26.950 6.717 1.00 23.24 C ATOM 221 CG LEU B 22 -27.791 26.098 6.492 1.00 24.83 C ATOM 222 CD1 LEU B 22 -27.055 26.641 5.275 1.00 25.22 C ATOM 223 CD2 LEU B 22 -26.878 26.086 7.701 1.00 25.54 C ATOM 224 H LEU B 22 -31.195 25.229 6.892 1.00 0.00 H ATOM 225 N ARG B 23 -30.900 28.758 8.643 1.00 24.69 N ATOM 226 CA ARG B 23 -31.799 29.912 8.645 1.00 27.26 C ATOM 227 C ARG B 23 -31.038 31.221 8.643 1.00 27.20 C ATOM 228 O ARG B 23 -29.941 31.331 9.160 1.00 25.82 O ATOM 229 CB ARG B 23 -32.696 29.877 9.869 1.00 27.44 C ATOM 230 CG ARG B 23 -33.724 28.762 9.835 1.00 31.20 C ATOM 231 CD ARG B 23 -34.285 28.479 11.213 1.00 34.96 C ATOM 232 NE ARG B 23 -35.271 27.407 11.141 1.00 40.42 N ATOM 233 CZ ARG B 23 -35.543 26.546 12.117 1.00 44.20 C ATOM 234 NH1 ARG B 23 -34.930 26.620 13.296 1.00 49.21 N ATOM 235 NH2 ARG B 23 -36.458 25.604 11.911 1.00 44.35 N ATOM 236 HE ARG B 23 -35.805 27.308 10.254 1.00 0.00 H ATOM 237 HH12 ARG B 23 -35.159 25.936 14.045 1.00 0.00 H ATOM 238 HH11 ARG B 23 -34.222 27.362 13.468 1.00 0.00 H ATOM 239 HH22 ARG B 23 -36.682 24.923 12.664 1.00 0.00 H ATOM 240 HH21 ARG B 23 -36.950 25.548 10.996 1.00 0.00 H ATOM 241 H ARG B 23 -30.122 28.733 9.333 1.00 0.00 H ATOM 242 N ASP B 24 -31.656 32.228 8.040 1.00 27.22 N ATOM 243 CA ASP B 24 -31.226 33.604 8.186 1.00 28.94 C ATOM 244 C ASP B 24 -31.421 33.913 9.666 1.00 29.88 C ATOM 245 O ASP B 24 -32.529 33.798 10.193 1.00 28.99 O ATOM 246 CB ASP B 24 -32.106 34.482 7.290 1.00 30.87 C ATOM 247 CG ASP B 24 -31.673 35.944 7.253 1.00 32.18 C ATOM 248 OD1 ASP B 24 -31.045 36.430 8.207 1.00 33.16 O ATOM 249 OD2 ASP B 24 -31.989 36.611 6.245 1.00 31.56 O ATOM 250 H ASP B 24 -32.480 32.022 7.440 1.00 0.00 H ATOM 251 N ALA B 25 -30.338 34.255 10.356 1.00 30.45 N ATOM 252 CA ALA B 25 -30.419 34.457 11.803 1.00 32.25 C ATOM 253 C ALA B 25 -31.271 35.673 12.161 1.00 34.46 C ATOM 254 O ALA B 25 -31.883 35.705 13.231 1.00 36.22 O ATOM 255 CB ALA B 25 -29.033 34.581 12.405 1.00 31.42 C ATOM 256 H ALA B 25 -29.429 34.380 9.866 1.00 0.00 H ATOM 257 N GLU B 26 -31.325 36.659 11.263 1.00 33.58 N ATOM 258 CA GLU B 26 -32.104 37.880 11.506 1.00 35.03 C ATOM 259 C GLU B 26 -33.609 37.633 11.371 1.00 36.60 C ATOM 260 O GLU B 26 -34.388 38.075 12.215 1.00 40.44 O ATOM 261 CB GLU B 26 -31.657 38.983 10.559 1.00 35.13 C ATOM 262 H GLU B 26 -30.803 36.560 10.369 1.00 0.00 H ATOM 263 N THR B 27 -34.012 36.913 10.325 1.00 34.64 N ATOM 264 CA THR B 27 -35.427 36.697 10.025 1.00 33.58 C ATOM 265 C THR B 27 -35.978 35.341 10.479 1.00 35.31 C ATOM 266 O THR B 27 -37.193 35.179 10.640 1.00 35.55 O ATOM 267 CB THR B 27 -35.666 36.812 8.513 1.00 33.82 C ATOM 268 OG1 THR B 27 -35.046 35.696 7.855 1.00 29.57 O ATOM 269 CG2 THR B 27 -35.088 38.099 7.969 1.00 33.64 C ATOM 270 HG1 THR B 27 -35.197 35.765 6.879 1.00 0.00 H ATOM 271 H THR B 27 -33.296 36.490 9.700 1.00 0.00 H ATOM 272 N GLY B 28 -35.093 34.361 10.661 1.00 33.94 N ATOM 273 CA GLY B 28 -35.510 32.976 10.903 1.00 32.18 C ATOM 274 C GLY B 28 -36.064 32.227 9.696 1.00 31.37 C ATOM 275 O GLY B 28 -36.585 31.115 9.828 1.00 32.41 O ATOM 276 H GLY B 28 -34.078 34.585 10.631 1.00 0.00 H ATOM 277 N LYS B 29 -35.956 32.805 8.502 1.00 29.99 N ATOM 278 CA LYS B 29 -36.446 32.117 7.314 1.00 30.47 C ATOM 279 C LYS B 29 -35.495 30.953 6.989 1.00 29.50 C ATOM 280 O LYS B 29 -34.280 31.108 7.102 1.00 28.97 O ATOM 281 CB LYS B 29 -36.564 33.076 6.116 1.00 32.93 C ATOM 282 CG LYS B 29 -37.934 33.746 5.952 1.00 35.36 C ATOM 283 CD LYS B 29 -38.378 34.520 7.182 1.00 38.95 C ATOM 284 CE LYS B 29 -39.548 35.464 6.892 1.00 39.21 C ATOM 285 NZ LYS B 29 -39.202 36.591 5.963 1.00 36.58 N ATOM 286 HZ1 LYS B 29 -38.440 37.162 6.382 1.00 0.00 H ATOM 287 HZ2 LYS B 29 -38.885 36.203 5.052 1.00 0.00 H ATOM 288 HZ3 LYS B 29 -40.042 37.186 5.814 1.00 0.00 H ATOM 289 H LYS B 29 -35.522 33.746 8.417 1.00 0.00 H ATOM 290 N ILE B 30 -36.054 29.810 6.594 1.00 29.61 N ATOM 291 CA ILE B 30 -35.248 28.656 6.144 1.00 30.82 C ATOM 292 C ILE B 30 -34.550 28.986 4.832 1.00 29.85 C ATOM 293 O ILE B 30 -35.196 29.370 3.838 1.00 29.99 O ATOM 294 CB ILE B 30 -36.100 27.392 5.883 1.00 33.84 C ATOM 295 CG1 ILE B 30 -36.837 26.970 7.148 1.00 36.98 C ATOM 296 CG2 ILE B 30 -35.225 26.245 5.363 1.00 34.52 C ATOM 297 CD1 ILE B 30 -35.964 26.352 8.215 1.00 38.13 C ATOM 298 H ILE B 30 -37.091 29.727 6.603 1.00 0.00 H ATOM 299 N LEU B 31 -33.233 28.818 4.828 1.00 26.46 N ATOM 300 CA LEU B 31 -32.429 28.949 3.634 1.00 25.71 C ATOM 301 C LEU B 31 -32.138 27.591 3.004 1.00 25.41 C ATOM 302 O LEU B 31 -31.962 27.485 1.790 1.00 25.90 O ATOM 303 CB LEU B 31 -31.116 29.656 3.960 1.00 26.65 C ATOM 304 CG LEU B 31 -31.220 31.065 4.554 1.00 27.30 C ATOM 305 CD1 LEU B 31 -29.854 31.582 4.978 1.00 28.27 C ATOM 306 CD2 LEU B 31 -31.860 32.032 3.563 1.00 28.87 C ATOM 307 H LEU B 31 -32.759 28.582 5.723 1.00 0.00 H ATOM 308 N TRP B 32 -32.104 26.534 3.813 1.00 22.93 N ATOM 309 CA TRP B 32 -31.758 25.228 3.296 1.00 23.25 C ATOM 310 C TRP B 32 -32.236 24.181 4.295 1.00 21.88 C ATOM 311 O TRP B 32 -32.179 24.410 5.494 1.00 22.05 O ATOM 312 CB TRP B 32 -30.244 25.127 3.091 1.00 22.68 C ATOM 313 CG TRP B 32 -29.810 23.823 2.473 1.00 22.92 C ATOM 314 CD1 TRP B 32 -29.699 23.542 1.135 1.00 21.82 C ATOM 315 CD2 TRP B 32 -29.479 22.616 3.162 1.00 21.77 C ATOM 316 NE1 TRP B 32 -29.305 22.243 0.956 1.00 21.28 N ATOM 317 CE2 TRP B 32 -29.160 21.649 2.183 1.00 22.89 C ATOM 318 CE3 TRP B 32 -29.417 22.251 4.517 1.00 23.85 C ATOM 319 CZ2 TRP B 32 -28.791 20.350 2.509 1.00 22.98 C ATOM 320 CZ3 TRP B 32 -29.051 20.962 4.833 1.00 23.68 C ATOM 321 CH2 TRP B 32 -28.740 20.026 3.839 1.00 24.18 C ATOM 322 HE1 TRP B 32 -29.142 21.782 0.038 1.00 0.00 H ATOM 323 H TRP B 32 -32.327 26.648 4.822 1.00 0.00 H ATOM 324 N GLN B 33 -32.737 23.063 3.798 1.00 24.82 N ATOM 325 CA GLN B 33 -32.961 21.914 4.658 1.00 26.32 C ATOM 326 C GLN B 33 -32.743 20.609 3.922 1.00 25.95 C ATOM 327 O GLN B 33 -32.925 20.510 2.712 1.00 27.78 O ATOM 328 CB GLN B 33 -34.348 21.963 5.301 1.00 31.09 C ATOM 329 CG GLN B 33 -35.510 21.970 4.336 1.00 35.20 C ATOM 330 CD GLN B 33 -36.801 22.373 5.026 1.00 40.56 C ATOM 331 OE1 GLN B 33 -36.953 22.196 6.237 1.00 45.35 O ATOM 332 NE2 GLN B 33 -37.732 22.924 4.262 1.00 44.50 N ATOM 333 HE22 GLN B 33 -37.560 23.054 3.245 1.00 0.00 H ATOM 334 HE21 GLN B 33 -38.635 23.227 4.679 1.00 0.00 H ATOM 335 H GLN B 33 -32.972 23.006 2.786 1.00 0.00 H ATOM 336 N GLY B 34 -32.304 19.598 4.653 1.00 24.29 N ATOM 337 CA GLY B 34 -32.079 18.309 4.034 1.00 24.92 C ATOM 338 C GLY B 34 -32.015 17.204 5.051 1.00 25.30 C ATOM 339 O GLY B 34 -31.856 17.465 6.241 1.00 24.08 O ATOM 340 H GLY B 34 -32.121 19.729 5.668 1.00 0.00 H ATOM 341 N THR B 35 -32.142 15.980 4.553 1.00 26.84 N ATOM 342 CA THR B 35 -31.929 14.793 5.347 1.00 26.83 C ATOM 343 C THR B 35 -30.763 13.933 4.829 1.00 27.82 C ATOM 344 O THR B 35 -30.586 12.820 5.309 1.00 31.14 O ATOM 345 CB THR B 35 -33.217 13.953 5.387 1.00 27.69 C ATOM 346 OG1 THR B 35 -33.576 13.591 4.052 1.00 28.50 O ATOM 347 CG2 THR B 35 -34.352 14.755 6.023 1.00 27.74 C ATOM 348 HG1 THR B 35 -32.844 13.062 3.646 1.00 0.00 H ATOM 349 H THR B 35 -32.405 15.872 3.553 1.00 0.00 H ATOM 350 N GLU B 36 -29.991 14.414 3.850 1.00 27.74 N ATOM 351 CA GLU B 36 -28.812 13.683 3.361 1.00 29.53 C ATOM 352 C GLU B 36 -27.723 13.822 4.419 1.00 26.39 C ATOM 353 O GLU B 36 -27.472 14.938 4.885 1.00 25.69 O ATOM 354 CB GLU B 36 -28.299 14.287 2.042 1.00 32.29 C ATOM 355 CG GLU B 36 -27.082 13.556 1.457 1.00 34.65 C ATOM 356 CD GLU B 36 -26.478 14.212 0.218 1.00 36.33 C ATOM 357 OE1 GLU B 36 -27.192 14.968 -0.491 1.00 39.10 O ATOM 358 OE2 GLU B 36 -25.274 13.960 -0.054 1.00 32.03 O ATOM 359 H GLU B 36 -30.231 15.331 3.422 1.00 0.00 H ATOM 360 N ASP B 37 -27.075 12.721 4.797 1.00 23.46 N ATOM 361 CA ASP B 37 -25.961 12.815 5.737 1.00 22.26 C ATOM 362 C ASP B 37 -24.702 13.321 5.004 1.00 21.04 C ATOM 363 O ASP B 37 -23.916 12.564 4.454 1.00 19.35 O ATOM 364 CB ASP B 37 -25.689 11.492 6.477 1.00 22.72 C ATOM 365 CG ASP B 37 -24.619 11.639 7.563 1.00 25.25 C ATOM 366 OD1 ASP B 37 -23.896 12.646 7.540 1.00 25.18 O ATOM 367 OD2 ASP B 37 -24.475 10.753 8.457 1.00 27.65 O ATOM 368 H ASP B 37 -27.362 11.794 4.423 1.00 0.00 H ATOM 369 N LEU B 38 -24.521 14.635 5.039 1.00 21.03 N ATOM 370 CA LEU B 38 -23.397 15.298 4.382 1.00 21.41 C ATOM 371 C LEU B 38 -22.067 15.047 5.083 1.00 22.56 C ATOM 372 O LEU B 38 -21.024 15.450 4.548 1.00 23.62 O ATOM 373 CB LEU B 38 -23.645 16.808 4.313 1.00 22.64 C ATOM 374 CG LEU B 38 -24.868 17.244 3.512 1.00 23.13 C ATOM 375 CD1 LEU B 38 -25.000 18.760 3.533 1.00 25.04 C ATOM 376 CD2 LEU B 38 -24.845 16.760 2.075 1.00 24.17 C ATOM 377 H LEU B 38 -25.209 15.218 5.557 1.00 0.00 H ATOM 378 N SER B 39 -22.105 14.422 6.260 1.00 22.40 N ATOM 379 CA SER B 39 -20.892 14.010 6.986 1.00 22.55 C ATOM 380 C SER B 39 -20.261 12.718 6.487 1.00 20.01 C ATOM 381 O SER B 39 -19.164 12.405 6.902 1.00 20.64 O ATOM 382 CB SER B 39 -21.126 13.887 8.501 1.00 24.17 C ATOM 383 OG SER B 39 -21.826 12.741 8.870 1.00 26.33 O ATOM 384 HG SER B 39 -22.715 12.744 8.434 1.00 0.00 H ATOM 385 H SER B 39 -23.032 14.216 6.684 1.00 0.00 H ATOM 386 N VAL B 40 -20.936 11.959 5.616 1.00 18.31 N ATOM 387 CA VAL B 40 -20.381 10.668 5.187 1.00 17.58 C ATOM 388 C VAL B 40 -19.086 10.886 4.425 1.00 18.08 C ATOM 389 O VAL B 40 -19.079 11.664 3.477 1.00 17.43 O ATOM 390 CB VAL B 40 -21.380 9.881 4.320 1.00 18.01 C ATOM 391 CG1 VAL B 40 -20.723 8.618 3.766 1.00 18.60 C ATOM 392 CG2 VAL B 40 -22.600 9.488 5.137 1.00 18.65 C ATOM 393 H VAL B 40 -21.852 12.282 5.243 1.00 0.00 H ATOM 394 N PRO B 41 -17.988 10.247 4.836 1.00 17.64 N ATOM 395 CA PRO B 41 -16.707 10.461 4.142 1.00 18.16 C ATOM 396 C PRO B 41 -16.564 9.713 2.825 1.00 19.62 C ATOM 397 O PRO B 41 -17.265 8.712 2.563 1.00 19.95 O ATOM 398 CB PRO B 41 -15.641 9.960 5.135 1.00 20.33 C ATOM 399 CG PRO B 41 -16.372 9.288 6.204 1.00 20.55 C ATOM 400 CD PRO B 41 -17.834 9.484 6.088 1.00 18.43 C ATOM 401 N GLY B 42 -15.635 10.202 2.011 1.00 20.46 N ATOM 402 CA GLY B 42 -15.140 9.474 0.857 1.00 21.81 C ATOM 403 C GLY B 42 -15.913 9.708 -0.423 1.00 23.67 C ATOM 404 O GLY B 42 -15.547 9.170 -1.464 1.00 25.76 O ATOM 405 H GLY B 42 -15.246 11.146 2.209 1.00 0.00 H ATOM 406 N VAL B 43 -16.980 10.507 -0.345 1.00 22.72 N ATOM 407 CA VAL B 43 -17.768 10.890 -1.514 1.00 23.77 C ATOM 408 C VAL B 43 -17.894 12.415 -1.498 1.00 22.06 C ATOM 409 O VAL B 43 -18.021 13.018 -0.445 1.00 24.37 O ATOM 410 CB VAL B 43 -19.162 10.222 -1.509 1.00 26.70 C ATOM 411 CG1 VAL B 43 -20.037 10.728 -0.364 1.00 27.17 C ATOM 412 CG2 VAL B 43 -19.868 10.430 -2.833 1.00 30.78 C ATOM 413 H VAL B 43 -17.262 10.872 0.587 1.00 0.00 H ATOM 414 N GLU B 44 -17.826 13.042 -2.660 1.00 22.09 N ATOM 415 CA GLU B 44 -18.101 14.476 -2.731 1.00 21.84 C ATOM 416 C GLU B 44 -19.590 14.748 -2.755 1.00 21.32 C ATOM 417 O GLU B 44 -20.261 14.493 -3.762 1.00 25.13 O ATOM 418 CB GLU B 44 -17.439 15.129 -3.942 1.00 23.21 C ATOM 419 CG GLU B 44 -17.591 16.653 -3.953 1.00 24.56 C ATOM 420 CD GLU B 44 -16.918 17.276 -5.155 1.00 25.54 C ATOM 421 OE1 GLU B 44 -15.679 17.419 -5.144 1.00 29.09 O ATOM 422 OE2 GLU B 44 -17.641 17.593 -6.121 1.00 29.08 O ATOM 423 H GLU B 44 -17.577 12.516 -3.522 1.00 0.00 H ATOM 424 N HIS B 45 -20.116 15.289 -1.660 1.00 18.27 N ATOM 425 CA HIS B 45 -21.503 15.649 -1.577 1.00 16.53 C ATOM 426 C HIS B 45 -21.698 16.944 -2.345 1.00 17.17 C ATOM 427 O HIS B 45 -20.730 17.664 -2.595 1.00 17.46 O ATOM 428 CB HIS B 45 -21.957 15.837 -0.126 1.00 16.37 C ATOM 429 CG HIS B 45 -21.716 14.639 0.746 1.00 16.41 C ATOM 430 ND1 HIS B 45 -22.635 13.619 0.857 1.00 17.64 N ATOM 431 CD2 HIS B 45 -20.677 14.303 1.547 1.00 17.08 C ATOM 432 CE1 HIS B 45 -22.162 12.694 1.682 1.00 17.63 C ATOM 433 NE2 HIS B 45 -20.966 13.072 2.091 1.00 16.66 N ATOM 434 H HIS B 45 -19.503 15.457 -0.837 1.00 0.00 H ATOM 435 N GLU B 46 -22.939 17.189 -2.723 1.00 18.42 N ATOM 436 CA GLU B 46 -23.339 18.428 -3.376 1.00 19.47 C ATOM 437 C GLU B 46 -24.514 19.063 -2.656 1.00 19.07 C ATOM 438 O GLU B 46 -25.419 18.365 -2.178 1.00 20.92 O ATOM 439 CB GLU B 46 -23.754 18.161 -4.821 1.00 21.44 C ATOM 440 CG GLU B 46 -22.636 17.690 -5.714 1.00 25.32 C ATOM 441 CD GLU B 46 -23.098 17.436 -7.139 1.00 31.09 C ATOM 442 OE1 GLU B 46 -24.315 17.212 -7.357 1.00 34.47 O ATOM 443 OE2 GLU B 46 -22.236 17.449 -8.034 1.00 35.85 O ATOM 444 H GLU B 46 -23.664 16.464 -2.547 1.00 0.00 H ATOM 445 N ALA B 47 -24.538 20.392 -2.583 1.00 17.21 N ATOM 446 CA ALA B 47 -25.703 21.070 -2.050 1.00 17.44 C ATOM 447 C ALA B 47 -25.955 22.353 -2.792 1.00 18.24 C ATOM 448 O ALA B 47 -25.010 23.024 -3.178 1.00 17.77 O ATOM 449 CB ALA B 47 -25.558 21.377 -0.567 1.00 17.29 C ATOM 450 H ALA B 47 -23.720 20.945 -2.909 1.00 0.00 H ATOM 451 N ARG B 48 -27.230 22.697 -2.928 1.00 18.28 N ATOM 452 CA ARG B 48 -27.637 23.948 -3.555 1.00 19.81 C ATOM 453 C ARG B 48 -28.213 24.861 -2.493 1.00 20.23 C ATOM 454 O ARG B 48 -29.179 24.466 -1.802 1.00 22.96 O ATOM 455 CB ARG B 48 -28.723 23.686 -4.590 1.00 22.22 C ATOM 456 CG ARG B 48 -28.403 22.722 -5.691 1.00 26.56 C ATOM 457 CD ARG B 48 -29.615 22.742 -6.604 1.00 29.60 C ATOM 458 NE ARG B 48 -29.961 21.435 -7.106 1.00 36.27 N ATOM 459 CZ ARG B 48 -31.128 21.150 -7.678 1.00 35.73 C ATOM 460 NH1 ARG B 48 -32.083 22.075 -7.765 1.00 35.60 N ATOM 461 NH2 ARG B 48 -31.349 19.925 -8.135 1.00 41.63 N ATOM 462 HE ARG B 48 -29.259 20.673 -7.016 1.00 0.00 H ATOM 463 HH12 ARG B 48 -32.992 21.843 -8.214 1.00 0.00 H ATOM 464 HH11 ARG B 48 -31.919 23.029 -7.384 1.00 0.00 H ATOM 465 HH22 ARG B 48 -32.258 19.693 -8.584 1.00 0.00 H ATOM 466 HH21 ARG B 48 -30.613 19.196 -8.045 1.00 0.00 H ATOM 467 H ARG B 48 -27.964 22.051 -2.575 1.00 0.00 H ATOM 468 N VAL B 49 -27.664 26.067 -2.376 1.00 19.66 N ATOM 469 CA VAL B 49 -28.123 27.054 -1.396 1.00 20.80 C ATOM 470 C VAL B 49 -28.533 28.334 -2.118 1.00 21.22 C ATOM 471 O VAL B 49 -27.946 28.680 -3.142 1.00 19.55 O ATOM 472 CB VAL B 49 -27.088 27.372 -0.292 1.00 21.68 C ATOM 473 CG1 VAL B 49 -26.862 26.139 0.580 1.00 22.93 C ATOM 474 CG2 VAL B 49 -25.777 27.896 -0.863 1.00 22.64 C ATOM 475 H VAL B 49 -26.876 26.319 -3.006 1.00 0.00 H ATOM 476 N PRO B 50 -29.563 29.031 -1.608 1.00 20.83 N ATOM 477 CA PRO B 50 -29.942 30.287 -2.257 1.00 21.21 C ATOM 478 C PRO B 50 -28.853 31.346 -2.109 1.00 20.45 C ATOM 479 O PRO B 50 -28.270 31.499 -1.036 1.00 21.66 O ATOM 480 CB PRO B 50 -31.199 30.707 -1.502 1.00 21.50 C ATOM 481 CG PRO B 50 -31.093 30.030 -0.182 1.00 22.21 C ATOM 482 CD PRO B 50 -30.408 28.732 -0.438 1.00 22.24 C ATOM 483 N LYS B 51 -28.586 32.086 -3.173 1.00 21.51 N ATOM 484 CA LYS B 51 -27.448 33.018 -3.175 1.00 21.96 C ATOM 485 C LYS B 51 -27.547 34.095 -2.096 1.00 22.72 C ATOM 486 O LYS B 51 -26.526 34.650 -1.675 1.00 21.89 O ATOM 487 CB LYS B 51 -27.213 33.652 -4.546 1.00 24.83 C ATOM 488 CG LYS B 51 -28.331 34.552 -5.046 1.00 27.09 C ATOM 489 CD LYS B 51 -27.990 35.137 -6.413 1.00 29.98 C ATOM 490 CE LYS B 51 -29.065 36.093 -6.927 1.00 32.39 C ATOM 491 NZ LYS B 51 -29.240 37.282 -6.052 1.00 35.64 N ATOM 492 HZ1 LYS B 51 -29.518 36.972 -5.099 1.00 0.00 H ATOM 493 HZ2 LYS B 51 -28.344 37.807 -6.000 1.00 0.00 H ATOM 494 HZ3 LYS B 51 -29.980 37.896 -6.447 1.00 0.00 H ATOM 495 H LYS B 51 -29.188 32.008 -4.018 1.00 0.00 H ATOM 496 N LYS B 52 -28.755 34.390 -1.629 1.00 23.06 N ATOM 497 CA LYS B 52 -28.922 35.367 -0.560 1.00 23.41 C ATOM 498 C LYS B 52 -28.143 35.016 0.698 1.00 22.93 C ATOM 499 O LYS B 52 -27.809 35.903 1.483 1.00 23.88 O ATOM 500 CB LYS B 52 -30.400 35.567 -0.204 1.00 23.92 C ATOM 501 CG LYS B 52 -31.111 34.275 0.148 1.00 25.61 C ATOM 502 CD LYS B 52 -32.485 34.502 0.755 1.00 27.37 C ATOM 503 CE LYS B 52 -33.447 34.993 -0.313 1.00 28.22 C ATOM 504 NZ LYS B 52 -33.634 33.944 -1.359 1.00 29.10 N ATOM 505 HZ1 LYS B 52 -32.717 33.728 -1.799 1.00 0.00 H ATOM 506 HZ2 LYS B 52 -34.021 33.084 -0.920 1.00 0.00 H ATOM 507 HZ3 LYS B 52 -34.294 34.292 -2.083 1.00 0.00 H ATOM 508 H LYS B 52 -29.591 33.919 -2.030 1.00 0.00 H ATOM 509 N ILE B 53 -27.842 33.728 0.880 1.00 22.53 N ATOM 510 CA ILE B 53 -27.065 33.307 2.024 1.00 22.87 C ATOM 511 C ILE B 53 -25.744 34.084 2.122 1.00 22.99 C ATOM 512 O ILE B 53 -25.282 34.371 3.209 1.00 23.24 O ATOM 513 CB ILE B 53 -26.835 31.785 2.019 1.00 22.77 C ATOM 514 CG1 ILE B 53 -26.466 31.334 3.436 1.00 23.77 C ATOM 515 CG2 ILE B 53 -25.784 31.372 0.977 1.00 23.73 C ATOM 516 CD1 ILE B 53 -26.436 29.842 3.614 1.00 24.05 C ATOM 517 H ILE B 53 -28.170 33.021 0.192 1.00 0.00 H ATOM 518 N LEU B 54 -25.171 34.458 0.984 1.00 22.78 N ATOM 519 CA LEU B 54 -23.888 35.177 0.952 1.00 24.28 C ATOM 520 C LEU B 54 -23.972 36.607 1.473 1.00 25.88 C ATOM 521 O LEU B 54 -22.940 37.214 1.809 1.00 26.76 O ATOM 522 CB LEU B 54 -23.340 35.186 -0.477 1.00 23.63 C ATOM 523 CG LEU B 54 -23.004 33.793 -1.014 1.00 23.00 C ATOM 524 CD1 LEU B 54 -22.766 33.856 -2.516 1.00 24.26 C ATOM 525 CD2 LEU B 54 -21.830 33.156 -0.274 1.00 23.05 C ATOM 526 H LEU B 54 -25.645 34.235 0.086 1.00 0.00 H ATOM 527 N LYS B 55 -25.189 37.146 1.526 1.00 25.41 N ATOM 528 CA LYS B 55 -25.439 38.490 2.037 1.00 28.44 C ATOM 529 C LYS B 55 -25.858 38.496 3.508 1.00 29.43 C ATOM 530 O LYS B 55 -26.007 39.568 4.090 1.00 29.87 O ATOM 531 CB LYS B 55 -26.571 39.157 1.247 1.00 30.86 C ATOM 532 CG LYS B 55 -26.446 39.153 -0.264 1.00 35.01 C ATOM 533 CD LYS B 55 -25.256 39.966 -0.730 1.00 38.79 C ATOM 534 CE LYS B 55 -25.387 40.357 -2.197 1.00 40.32 C ATOM 535 NZ LYS B 55 -24.503 41.511 -2.513 1.00 42.85 N ATOM 536 HZ1 LYS B 55 -24.771 42.324 -1.922 1.00 0.00 H ATOM 537 HZ2 LYS B 55 -23.514 41.252 -2.320 1.00 0.00 H ATOM 538 HZ3 LYS B 55 -24.607 41.761 -3.517 1.00 0.00 H ATOM 539 H LYS B 55 -25.997 36.584 1.188 1.00 0.00 H ATOM 540 N CYS B 56 -26.094 37.315 4.089 1.00 28.52 N ATOM 541 CA CYS B 56 -26.475 37.212 5.498 1.00 28.89 C ATOM 542 C CYS B 56 -25.322 37.575 6.404 1.00 30.04 C ATOM 543 O CYS B 56 -24.205 37.088 6.220 1.00 30.47 O ATOM 544 CB CYS B 56 -26.945 35.794 5.848 1.00 29.10 C ATOM 545 SG CYS B 56 -28.524 35.365 5.110 1.00 30.31 S ATOM 546 H CYS B 56 -26.004 36.446 3.524 1.00 0.00 H ATOM 547 N LYS B 57 -25.598 38.415 7.404 1.00 30.36 N ATOM 548 CA LYS B 57 -24.606 38.761 8.408 1.00 33.18 C ATOM 549 C LYS B 57 -24.343 37.558 9.317 1.00 30.32 C ATOM 550 O LYS B 57 -23.227 37.373 9.790 1.00 32.03 O ATOM 551 CB LYS B 57 -25.097 39.940 9.251 1.00 38.82 C ATOM 552 CG LYS B 57 -24.040 40.520 10.172 1.00 43.80 C ATOM 553 CD LYS B 57 -24.685 41.328 11.285 1.00 47.41 C ATOM 554 CE LYS B 57 -23.638 42.008 12.151 1.00 49.69 C ATOM 555 NZ LYS B 57 -24.274 42.926 13.137 1.00 52.52 N ATOM 556 HZ1 LYS B 57 -24.814 43.656 12.631 1.00 0.00 H ATOM 557 HZ2 LYS B 57 -24.914 42.383 13.751 1.00 0.00 H ATOM 558 HZ3 LYS B 57 -23.536 43.377 13.715 1.00 0.00 H ATOM 559 H LYS B 57 -26.548 38.833 7.466 1.00 0.00 H ATOM 560 N ALA B 58 -25.382 36.763 9.546 1.00 28.91 N ATOM 561 CA ALA B 58 -25.272 35.538 10.342 1.00 29.64 C ATOM 562 C ALA B 58 -26.305 34.497 9.908 1.00 28.08 C ATOM 563 O ALA B 58 -27.456 34.814 9.570 1.00 29.00 O ATOM 564 CB ALA B 58 -25.440 35.851 11.828 1.00 29.61 C ATOM 565 H ALA B 58 -26.307 37.019 9.146 1.00 0.00 H ATOM 566 N VAL B 59 -25.876 33.237 9.952 1.00 26.86 N ATOM 567 CA VAL B 59 -26.711 32.103 9.624 1.00 26.04 C ATOM 568 C VAL B 59 -26.774 31.230 10.878 1.00 25.64 C ATOM 569 O VAL B 59 -25.747 31.032 11.539 1.00 27.41 O ATOM 570 CB VAL B 59 -26.103 31.308 8.447 1.00 26.78 C ATOM 571 CG1 VAL B 59 -26.755 29.948 8.277 1.00 28.39 C ATOM 572 CG2 VAL B 59 -26.244 32.116 7.159 1.00 27.48 C ATOM 573 H VAL B 59 -24.891 33.060 10.236 1.00 0.00 H ATOM 574 N SER B 60 -27.972 30.764 11.200 1.00 23.68 N ATOM 575 CA SER B 60 -28.175 29.783 12.271 1.00 26.06 C ATOM 576 C SER B 60 -28.352 28.387 11.697 1.00 24.48 C ATOM 577 O SER B 60 -29.227 28.142 10.863 1.00 23.92 O ATOM 578 CB SER B 60 -29.405 30.160 13.088 1.00 27.17 C ATOM 579 OG SER B 60 -29.620 29.258 14.166 1.00 31.61 O ATOM 580 HG SER B 60 -28.833 29.269 14.766 1.00 0.00 H ATOM 581 H SER B 60 -28.800 31.107 10.673 1.00 0.00 H ATOM 582 N ARG B 61 -27.542 27.445 12.180 1.00 22.44 N ATOM 583 CA ARG B 61 -27.603 26.074 11.703 1.00 21.88 C ATOM 584 C ARG B 61 -28.113 25.165 12.811 1.00 20.63 C ATOM 585 O ARG B 61 -27.684 25.325 13.956 1.00 22.55 O ATOM 586 CB ARG B 61 -26.221 25.623 11.305 1.00 21.24 C ATOM 587 CG ARG B 61 -26.166 24.177 10.846 1.00 20.90 C ATOM 588 CD ARG B 61 -24.801 23.868 10.323 1.00 20.83 C ATOM 589 NE ARG B 61 -23.792 23.762 11.381 1.00 19.75 N ATOM 590 CZ ARG B 61 -22.481 23.922 11.203 1.00 21.19 C ATOM 591 NH1 ARG B 61 -21.985 24.283 10.021 1.00 20.21 N ATOM 592 NH2 ARG B 61 -21.644 23.750 12.225 1.00 21.42 N ATOM 593 HE ARG B 61 -24.124 23.546 12.343 1.00 0.00 H ATOM 594 HH12 ARG B 61 -20.959 24.403 9.902 1.00 0.00 H ATOM 595 HH11 ARG B 61 -22.624 24.445 9.217 1.00 0.00 H ATOM 596 HH22 ARG B 61 -20.621 23.875 12.086 1.00 0.00 H ATOM 597 HH21 ARG B 61 -22.014 23.491 13.162 1.00 0.00 H ATOM 598 H ARG B 61 -26.851 27.697 12.915 1.00 0.00 H ATOM 599 N GLU B 62 -29.014 24.252 12.458 1.00 20.16 N ATOM 600 CA GLU B 62 -29.433 23.166 13.356 1.00 23.98 C ATOM 601 C GLU B 62 -29.066 21.835 12.728 1.00 23.88 C ATOM 602 O GLU B 62 -29.449 21.568 11.596 1.00 22.88 O ATOM 603 CB GLU B 62 -30.934 23.163 13.563 1.00 28.98 C ATOM 604 CG GLU B 62 -31.479 24.235 14.464 1.00 32.96 C ATOM 605 CD GLU B 62 -32.910 23.921 14.878 1.00 38.20 C ATOM 606 OE1 GLU B 62 -33.730 23.566 13.995 1.00 42.36 O ATOM 607 OE2 GLU B 62 -33.208 24.004 16.087 1.00 44.37 O ATOM 608 H GLU B 62 -29.438 24.309 11.510 1.00 0.00 H ATOM 609 N LEU B 63 -28.390 20.989 13.496 1.00 22.28 N ATOM 610 CA LEU B 63 -27.825 19.732 13.012 1.00 23.31 C ATOM 611 C LEU B 63 -28.264 18.662 14.015 1.00 22.01 C ATOM 612 O LEU B 63 -27.889 18.735 15.187 1.00 24.62 O ATOM 613 CB LEU B 63 -26.305 19.889 12.975 1.00 25.76 C ATOM 614 CG LEU B 63 -25.380 18.833 12.391 1.00 28.67 C ATOM 615 CD1 LEU B 63 -23.993 19.431 12.250 1.00 29.97 C ATOM 616 CD2 LEU B 63 -25.352 17.580 13.255 1.00 28.99 C ATOM 617 H LEU B 63 -28.255 21.235 14.498 1.00 0.00 H ATOM 618 N ASN B 64 -29.035 17.692 13.556 1.00 19.27 N ATOM 619 CA ASN B 64 -29.561 16.633 14.429 1.00 19.70 C ATOM 620 C ASN B 64 -28.819 15.340 14.126 1.00 18.89 C ATOM 621 O ASN B 64 -28.788 14.908 12.980 1.00 18.00 O ATOM 622 CB ASN B 64 -31.060 16.439 14.220 1.00 20.96 C ATOM 623 CG ASN B 64 -31.653 15.347 15.100 1.00 21.36 C ATOM 624 OD1 ASN B 64 -31.648 14.161 14.731 1.00 23.35 O ATOM 625 ND2 ASN B 64 -32.205 15.745 16.244 1.00 24.59 N ATOM 626 HD22 ASN B 64 -32.184 16.750 16.510 1.00 0.00 H ATOM 627 HD21 ASN B 64 -32.658 15.051 16.872 1.00 0.00 H ATOM 628 H ASN B 64 -29.277 17.677 12.545 1.00 0.00 H ATOM 629 N PHE B 65 -28.228 14.747 15.160 1.00 18.47 N ATOM 630 CA PHE B 65 -27.357 13.597 14.980 1.00 17.45 C ATOM 631 C PHE B 65 -27.613 12.536 16.043 1.00 18.01 C ATOM 632 O PHE B 65 -28.052 12.839 17.152 1.00 18.01 O ATOM 633 CB PHE B 65 -25.890 14.035 14.974 1.00 18.21 C ATOM 634 CG PHE B 65 -25.360 14.492 16.315 1.00 18.22 C ATOM 635 CD1 PHE B 65 -25.463 15.815 16.718 1.00 18.48 C ATOM 636 CD2 PHE B 65 -24.773 13.585 17.177 1.00 18.67 C ATOM 637 CE1 PHE B 65 -24.964 16.234 17.947 1.00 19.39 C ATOM 638 CE2 PHE B 65 -24.271 14.002 18.398 1.00 19.35 C ATOM 639 CZ PHE B 65 -24.377 15.313 18.791 1.00 19.99 C ATOM 640 H PHE B 65 -28.393 15.114 16.119 1.00 0.00 H ATOM 641 N SER B 66 -27.271 11.304 15.689 1.00 17.69 N ATOM 642 CA SER B 66 -27.316 10.208 16.643 1.00 17.90 C ATOM 643 C SER B 66 -25.906 9.628 16.791 1.00 17.40 C ATOM 644 O SER B 66 -25.112 9.639 15.851 1.00 17.10 O ATOM 645 CB SER B 66 -28.267 9.161 16.131 1.00 18.67 C ATOM 646 OG SER B 66 -29.596 9.690 15.985 1.00 20.31 O ATOM 647 HG SER B 66 -29.921 10.009 16.864 1.00 0.00 H ATOM 648 H SER B 66 -26.965 11.119 14.712 1.00 0.00 H ATOM 649 N SER B 67 -25.596 9.093 17.972 1.00 16.55 N ATOM 650 CA SER B 67 -24.291 8.497 18.203 1.00 16.23 C ATOM 651 C SER B 67 -24.436 7.306 19.130 1.00 17.28 C ATOM 652 O SER B 67 -24.886 7.485 20.233 1.00 17.43 O ATOM 653 CB SER B 67 -23.363 9.513 18.862 1.00 17.20 C ATOM 654 OG SER B 67 -22.070 8.985 19.032 1.00 16.21 O ATOM 655 HG SER B 67 -21.696 8.741 18.149 1.00 0.00 H ATOM 656 H SER B 67 -26.298 9.102 18.739 1.00 0.00 H ATOM 657 N THR B 68 -24.052 6.113 18.698 1.00 16.49 N ATOM 658 CA THR B 68 -24.053 4.963 19.622 1.00 16.50 C ATOM 659 C THR B 68 -22.956 5.147 20.656 1.00 16.42 C ATOM 660 O THR B 68 -23.109 4.720 21.804 1.00 18.28 O ATOM 661 CB THR B 68 -23.852 3.602 18.936 1.00 17.57 C ATOM 662 OG1 THR B 68 -22.557 3.517 18.347 1.00 19.43 O ATOM 663 CG2 THR B 68 -24.919 3.357 17.907 1.00 17.72 C ATOM 664 HG1 THR B 68 -21.868 3.625 19.050 1.00 0.00 H ATOM 665 H THR B 68 -23.751 5.988 17.710 1.00 0.00 H ATOM 666 N GLU B 69 -21.838 5.735 20.254 1.00 16.24 N ATOM 667 CA GLU B 69 -20.688 5.890 21.142 1.00 16.64 C ATOM 668 C GLU B 69 -20.750 7.142 21.989 1.00 17.01 C ATOM 669 O GLU B 69 -21.180 8.205 21.549 1.00 17.03 O ATOM 670 CB GLU B 69 -19.373 5.869 20.345 1.00 16.89 C ATOM 671 CG GLU B 69 -19.178 4.615 19.527 1.00 17.18 C ATOM 672 CD GLU B 69 -19.461 3.357 20.308 1.00 18.57 C ATOM 673 OE1 GLU B 69 -18.628 3.033 21.169 1.00 20.50 O ATOM 674 OE2 GLU B 69 -20.522 2.736 20.097 1.00 20.91 O ATOM 675 H GLU B 69 -21.778 6.096 19.280 1.00 0.00 H ATOM 676 N GLN B 70 -20.276 7.009 23.215 1.00 16.32 N ATOM 677 CA GLN B 70 -20.005 8.171 24.044 1.00 16.85 C ATOM 678 C GLN B 70 -18.874 8.996 23.456 1.00 16.52 C ATOM 679 O GLN B 70 -17.867 8.434 22.994 1.00 17.47 O ATOM 680 CB GLN B 70 -19.614 7.726 25.440 1.00 17.17 C ATOM 681 CG GLN B 70 -19.361 8.851 26.415 1.00 16.93 C ATOM 682 CD GLN B 70 -19.235 8.306 27.838 1.00 16.89 C ATOM 683 OE1 GLN B 70 -20.190 7.756 28.382 1.00 18.20 O ATOM 684 NE2 GLN B 70 -18.070 8.462 28.425 1.00 18.50 N ATOM 685 HE22 GLN B 70 -17.293 8.935 27.921 1.00 0.00 H ATOM 686 HE21 GLN B 70 -17.925 8.113 29.394 1.00 0.00 H ATOM 687 H GLN B 70 -20.094 6.057 23.593 1.00 0.00 H ATOM 688 N MET B 71 -19.031 10.322 23.475 1.00 18.26 N ATOM 689 CA MET B 71 -17.911 11.207 23.152 1.00 17.97 C ATOM 690 C MET B 71 -17.681 12.183 24.285 1.00 18.68 C ATOM 691 O MET B 71 -18.645 12.681 24.872 1.00 20.10 O ATOM 692 CB MET B 71 -18.173 11.968 21.845 1.00 19.50 C ATOM 693 CG MET B 71 -18.156 11.066 20.624 1.00 19.04 C ATOM 694 SD MET B 71 -18.203 12.027 19.092 1.00 21.27 S ATOM 695 CE MET B 71 -19.916 11.943 18.697 1.00 22.70 C ATOM 696 H MET B 71 -19.956 10.729 23.721 1.00 0.00 H ATOM 697 N GLU B 72 -16.420 12.451 24.572 1.00 21.55 N ATOM 698 CA GLU B 72 -16.054 13.349 25.661 1.00 24.38 C ATOM 699 C GLU B 72 -16.167 14.814 25.235 1.00 23.66 C ATOM 700 O GLU B 72 -16.650 15.673 25.996 1.00 24.81 O ATOM 701 CB GLU B 72 -14.634 13.038 26.132 1.00 28.05 C ATOM 702 CG GLU B 72 -14.376 11.575 26.511 1.00 33.75 C ATOM 703 CD GLU B 72 -15.302 11.057 27.598 1.00 40.41 C ATOM 704 OE1 GLU B 72 -15.690 11.846 28.489 1.00 47.55 O ATOM 705 OE2 GLU B 72 -15.636 9.849 27.562 1.00 43.58 O ATOM 706 H GLU B 72 -15.668 12.010 24.006 1.00 0.00 H ATOM 707 N LYS B 73 -15.768 15.106 23.996 1.00 21.72 N ATOM 708 CA LYS B 73 -15.754 16.489 23.505 1.00 21.29 C ATOM 709 C LYS B 73 -15.939 16.532 21.983 1.00 18.63 C ATOM 710 O LYS B 73 -14.999 16.746 21.225 1.00 20.25 O ATOM 711 CB LYS B 73 -14.457 17.188 23.872 1.00 23.24 C ATOM 712 CG LYS B 73 -14.510 18.693 23.657 1.00 28.02 C ATOM 713 CD LYS B 73 -13.242 19.361 24.166 1.00 30.99 C ATOM 714 CE LYS B 73 -13.363 20.876 24.142 1.00 34.73 C ATOM 715 NZ LYS B 73 -12.134 21.552 24.657 1.00 38.00 N ATOM 716 HZ1 LYS B 73 -11.964 21.258 25.640 1.00 0.00 H ATOM 717 HZ2 LYS B 73 -11.320 21.284 24.068 1.00 0.00 H ATOM 718 HZ3 LYS B 73 -12.266 22.583 24.620 1.00 0.00 H ATOM 719 H LYS B 73 -15.461 14.338 23.365 1.00 0.00 H ATOM 720 N PHE B 74 -17.166 16.299 21.571 1.00 19.40 N ATOM 721 CA PHE B 74 -17.522 16.268 20.158 1.00 18.38 C ATOM 722 C PHE B 74 -17.416 17.705 19.650 1.00 18.91 C ATOM 723 O PHE B 74 -17.922 18.635 20.280 1.00 19.08 O ATOM 724 CB PHE B 74 -18.933 15.705 19.986 1.00 18.07 C ATOM 725 CG PHE B 74 -19.453 15.703 18.565 1.00 18.36 C ATOM 726 CD1 PHE B 74 -18.638 15.349 17.507 1.00 19.89 C ATOM 727 CD2 PHE B 74 -20.777 15.980 18.322 1.00 19.83 C ATOM 728 CE1 PHE B 74 -19.149 15.313 16.214 1.00 20.38 C ATOM 729 CE2 PHE B 74 -21.298 15.951 17.040 1.00 20.96 C ATOM 730 CZ PHE B 74 -20.459 15.628 15.981 1.00 20.54 C ATOM 731 H PHE B 74 -17.909 16.131 22.279 1.00 0.00 H ATOM 732 N ARG B 75 -16.705 17.875 18.543 1.00 18.48 N ATOM 733 CA ARG B 75 -16.497 19.191 17.955 1.00 19.38 C ATOM 734 C ARG B 75 -16.232 19.072 16.464 1.00 18.18 C ATOM 735 O ARG B 75 -15.903 18.007 15.958 1.00 18.21 O ATOM 736 CB ARG B 75 -15.329 19.901 18.647 1.00 19.16 C ATOM 737 CG ARG B 75 -13.979 19.299 18.399 1.00 19.34 C ATOM 738 CD ARG B 75 -12.871 19.997 19.194 1.00 20.24 C ATOM 739 NE ARG B 75 -11.578 19.464 18.821 1.00 21.06 N ATOM 740 CZ ARG B 75 -10.804 19.904 17.830 1.00 21.80 C ATOM 741 NH1 ARG B 75 -11.172 20.933 17.073 1.00 21.89 N ATOM 742 NH2 ARG B 75 -9.656 19.315 17.576 1.00 23.32 N ATOM 743 HE ARG B 75 -11.220 18.663 19.379 1.00 0.00 H ATOM 744 HH12 ARG B 75 -10.553 21.261 16.304 1.00 0.00 H ATOM 745 HH11 ARG B 75 -12.079 21.410 17.249 1.00 0.00 H ATOM 746 HH22 ARG B 75 -9.054 19.661 16.802 1.00 0.00 H ATOM 747 HH21 ARG B 75 -9.350 18.503 18.149 1.00 0.00 H ATOM 748 H ARG B 75 -16.284 17.044 18.081 1.00 0.00 H ATOM 749 N LEU B 76 -16.354 20.201 15.780 1.00 18.54 N ATOM 750 CA LEU B 76 -16.159 20.270 14.338 1.00 18.72 C ATOM 751 C LEU B 76 -15.152 21.355 13.976 1.00 17.60 C ATOM 752 O LEU B 76 -15.121 22.404 14.610 1.00 19.67 O ATOM 753 CB LEU B 76 -17.468 20.654 13.626 1.00 20.34 C ATOM 754 CG LEU B 76 -18.702 19.771 13.751 1.00 22.12 C ATOM 755 CD1 LEU B 76 -19.850 20.327 12.935 1.00 23.01 C ATOM 756 CD2 LEU B 76 -18.398 18.361 13.310 1.00 22.76 C ATOM 757 H LEU B 76 -16.599 21.072 16.293 1.00 0.00 H ATOM 758 N GLU B 77 -14.390 21.120 12.927 1.00 17.30 N ATOM 759 CA GLU B 77 -13.605 22.169 12.270 1.00 17.97 C ATOM 760 C GLU B 77 -14.068 22.183 10.820 1.00 18.11 C ATOM 761 O GLU B 77 -14.117 21.142 10.184 1.00 18.20 O ATOM 762 CB GLU B 77 -12.119 21.862 12.324 1.00 19.08 C ATOM 763 CG GLU B 77 -11.537 21.830 13.723 1.00 21.65 C ATOM 764 CD GLU B 77 -10.039 21.582 13.754 1.00 24.47 C ATOM 765 OE1 GLU B 77 -9.394 21.368 12.691 1.00 24.33 O ATOM 766 OE2 GLU B 77 -9.500 21.556 14.891 1.00 27.39 O ATOM 767 H GLU B 77 -14.344 20.152 12.550 1.00 0.00 H ATOM 768 N GLN B 78 -14.420 23.352 10.308 1.00 17.28 N ATOM 769 CA GLN B 78 -14.871 23.458 8.922 1.00 18.07 C ATOM 770 C GLN B 78 -14.036 24.482 8.161 1.00 18.75 C ATOM 771 O GLN B 78 -13.824 25.594 8.634 1.00 22.11 O ATOM 772 CB GLN B 78 -16.324 23.851 8.871 1.00 18.27 C ATOM 773 CG GLN B 78 -17.248 22.797 9.454 1.00 19.87 C ATOM 774 CD GLN B 78 -18.699 23.136 9.247 1.00 20.81 C ATOM 775 OE1 GLN B 78 -19.235 24.058 9.865 1.00 21.43 O ATOM 776 NE2 GLN B 78 -19.362 22.388 8.376 1.00 22.24 N ATOM 777 HE22 GLN B 78 -18.874 21.619 7.874 1.00 0.00 H ATOM 778 HE21 GLN B 78 -20.370 22.571 8.195 1.00 0.00 H ATOM 779 H GLN B 78 -14.375 24.206 10.900 1.00 0.00 H ATOM 780 N LYS B 79 -13.503 24.073 7.022 1.00 17.72 N ATOM 781 CA LYS B 79 -12.742 24.984 6.166 1.00 18.20 C ATOM 782 C LYS B 79 -13.526 25.275 4.895 1.00 18.35 C ATOM 783 O LYS B 79 -14.080 24.356 4.276 1.00 17.56 O ATOM 784 CB LYS B 79 -11.386 24.413 5.828 1.00 19.52 C ATOM 785 CG LYS B 79 -10.370 24.555 6.952 1.00 22.19 C ATOM 786 CD LYS B 79 -9.093 23.826 6.607 1.00 24.44 C ATOM 787 CE LYS B 79 -7.913 24.269 7.460 1.00 28.08 C ATOM 788 NZ LYS B 79 -6.721 23.505 7.018 1.00 28.39 N ATOM 789 HZ1 LYS B 79 -6.896 22.488 7.144 1.00 0.00 H ATOM 790 HZ2 LYS B 79 -6.536 23.704 6.014 1.00 0.00 H ATOM 791 HZ3 LYS B 79 -5.898 23.789 7.587 1.00 0.00 H ATOM 792 H LYS B 79 -13.627 23.083 6.728 1.00 0.00 H ATOM 793 N VAL B 80 -13.569 26.551 4.502 1.00 17.68 N ATOM 794 CA VAL B 80 -14.193 26.973 3.242 1.00 18.61 C ATOM 795 C VAL B 80 -13.083 27.105 2.213 1.00 18.00 C ATOM 796 O VAL B 80 -12.166 27.933 2.380 1.00 17.14 O ATOM 797 CB VAL B 80 -14.922 28.320 3.391 1.00 19.24 C ATOM 798 CG1 VAL B 80 -15.526 28.777 2.066 1.00 19.80 C ATOM 799 CG2 VAL B 80 -15.991 28.273 4.462 1.00 21.35 C ATOM 800 H VAL B 80 -13.143 27.276 5.114 1.00 0.00 H ATOM 801 N TYR B 81 -13.145 26.291 1.168 1.00 16.39 N ATOM 802 CA TYR B 81 -12.133 26.266 0.118 1.00 17.49 C ATOM 803 C TYR B 81 -12.728 26.827 -1.176 1.00 18.18 C ATOM 804 O TYR B 81 -13.832 26.454 -1.557 1.00 17.63 O ATOM 805 CB TYR B 81 -11.632 24.862 -0.147 1.00 18.23 C ATOM 806 CG TYR B 81 -10.613 24.361 0.848 1.00 18.87 C ATOM 807 CD1 TYR B 81 -9.261 24.618 0.667 1.00 19.14 C ATOM 808 CD2 TYR B 81 -11.002 23.581 1.932 1.00 19.73 C ATOM 809 CE1 TYR B 81 -8.326 24.126 1.558 1.00 20.75 C ATOM 810 CE2 TYR B 81 -10.058 23.086 2.819 1.00 20.81 C ATOM 811 CZ TYR B 81 -8.733 23.383 2.626 1.00 21.09 C ATOM 812 OH TYR B 81 -7.776 22.894 3.513 1.00 25.68 O ATOM 813 HH TYR B 81 -6.878 23.200 3.230 1.00 0.00 H ATOM 814 H TYR B 81 -13.953 25.640 1.094 1.00 0.00 H ATOM 815 N PHE B 82 -12.022 27.771 -1.794 1.00 17.32 N ATOM 816 CA PHE B 82 -12.394 28.292 -3.114 1.00 17.39 C ATOM 817 C PHE B 82 -11.271 27.975 -4.054 1.00 16.48 C ATOM 818 O PHE B 82 -10.126 28.444 -3.866 1.00 15.11 O ATOM 819 CB PHE B 82 -12.636 29.786 -3.069 1.00 17.66 C ATOM 820 CG PHE B 82 -12.813 30.413 -4.430 1.00 16.76 C ATOM 821 CD1 PHE B 82 -14.032 30.333 -5.090 1.00 16.47 C ATOM 822 CD2 PHE B 82 -11.783 31.105 -5.025 1.00 17.11 C ATOM 823 CE1 PHE B 82 -14.192 30.893 -6.346 1.00 17.33 C ATOM 824 CE2 PHE B 82 -11.945 31.681 -6.278 1.00 17.91 C ATOM 825 CZ PHE B 82 -13.162 31.588 -6.925 1.00 17.51 C ATOM 826 H PHE B 82 -11.176 28.153 -1.324 1.00 0.00 H ATOM 827 N LYS B 83 -11.569 27.163 -5.066 1.00 16.84 N ATOM 828 CA LYS B 83 -10.553 26.689 -5.992 1.00 17.21 C ATOM 829 C LYS B 83 -9.295 26.177 -5.302 1.00 18.71 C ATOM 830 O LYS B 83 -8.168 26.465 -5.708 1.00 20.46 O ATOM 831 CB LYS B 83 -10.231 27.764 -7.031 1.00 17.35 C ATOM 832 CG LYS B 83 -11.415 28.123 -7.894 1.00 17.03 C ATOM 833 CD LYS B 83 -10.994 28.948 -9.096 1.00 17.62 C ATOM 834 CE LYS B 83 -12.194 29.352 -9.927 1.00 18.67 C ATOM 835 NZ LYS B 83 -11.741 30.122 -11.105 1.00 20.07 N ATOM 836 HZ1 LYS B 83 -11.236 30.974 -10.788 1.00 0.00 H ATOM 837 HZ2 LYS B 83 -11.104 29.533 -11.678 1.00 0.00 H ATOM 838 HZ3 LYS B 83 -12.566 30.399 -11.675 1.00 0.00 H ATOM 839 H LYS B 83 -12.555 26.860 -5.198 1.00 0.00 H ATOM 840 N GLY B 84 -9.502 25.443 -4.214 1.00 19.39 N ATOM 841 CA GLY B 84 -8.394 24.808 -3.530 1.00 20.84 C ATOM 842 C GLY B 84 -7.718 25.636 -2.468 1.00 21.32 C ATOM 843 O GLY B 84 -6.807 25.137 -1.790 1.00 23.09 O ATOM 844 H GLY B 84 -10.469 25.323 -3.850 1.00 0.00 H ATOM 845 N GLN B 85 -8.166 26.875 -2.294 1.00 20.23 N ATOM 846 CA GLN B 85 -7.571 27.789 -1.341 1.00 21.66 C ATOM 847 C GLN B 85 -8.485 27.987 -0.148 1.00 20.45 C ATOM 848 O GLN B 85 -9.661 28.345 -0.302 1.00 18.90 O ATOM 849 CB GLN B 85 -7.338 29.132 -2.010 1.00 23.26 C ATOM 850 CG GLN B 85 -6.703 30.145 -1.103 1.00 24.62 C ATOM 851 CD GLN B 85 -6.355 31.429 -1.819 1.00 25.84 C ATOM 852 OE1 GLN B 85 -6.488 31.560 -3.048 1.00 27.86 O ATOM 853 NE2 GLN B 85 -5.909 32.370 -1.063 1.00 26.07 N ATOM 854 HE22 GLN B 85 -5.815 32.214 -0.039 1.00 0.00 H ATOM 855 HE21 GLN B 85 -5.643 33.287 -1.476 1.00 0.00 H ATOM 856 H GLN B 85 -8.973 27.200 -2.863 1.00 0.00 H ATOM 857 N CYS B 86 -7.941 27.836 1.067 1.00 21.39 N ATOM 858 CA CYS B 86 -8.739 28.068 2.256 1.00 21.58 C ATOM 859 C CYS B 86 -8.946 29.566 2.492 1.00 22.07 C ATOM 860 O CYS B 86 -7.976 30.313 2.643 1.00 23.91 O ATOM 861 CB CYS B 86 -8.114 27.388 3.494 1.00 22.62 C ATOM 862 SG CYS B 86 -9.161 27.552 4.962 1.00 23.85 S ATOM 863 H CYS B 86 -6.945 27.552 1.158 1.00 0.00 H ATOM 864 N LEU B 87 -10.205 29.997 2.483 1.00 20.16 N ATOM 865 CA LEU B 87 -10.596 31.386 2.736 1.00 22.02 C ATOM 866 C LEU B 87 -10.999 31.647 4.183 1.00 23.49 C ATOM 867 O LEU B 87 -10.899 32.786 4.661 1.00 26.40 O ATOM 868 CB LEU B 87 -11.787 31.778 1.866 1.00 23.58 C ATOM 869 CG LEU B 87 -11.672 31.633 0.353 1.00 26.10 C ATOM 870 CD1 LEU B 87 -12.963 32.116 -0.275 1.00 27.59 C ATOM 871 CD2 LEU B 87 -10.493 32.390 -0.206 1.00 27.04 C ATOM 872 H LEU B 87 -10.957 29.306 2.284 1.00 0.00 H ATOM 873 N GLU B 88 -11.502 30.623 4.865 1.00 22.30 N ATOM 874 CA GLU B 88 -12.109 30.808 6.173 1.00 24.53 C ATOM 875 C GLU B 88 -12.065 29.480 6.888 1.00 23.18 C ATOM 876 O GLU B 88 -12.197 28.444 6.245 1.00 20.82 O ATOM 877 CB GLU B 88 -13.551 31.233 5.976 1.00 28.85 C ATOM 878 CG GLU B 88 -14.198 31.912 7.157 1.00 33.37 C ATOM 879 CD GLU B 88 -15.315 32.842 6.719 1.00 36.37 C ATOM 880 OE1 GLU B 88 -15.112 33.626 5.766 1.00 42.29 O ATOM 881 OE2 GLU B 88 -16.398 32.799 7.327 1.00 40.84 O ATOM 882 H GLU B 88 -11.460 29.669 4.454 1.00 0.00 H ATOM 883 N GLU B 89 -11.867 29.523 8.209 1.00 21.34 N ATOM 884 CA GLU B 89 -11.972 28.317 9.047 1.00 22.65 C ATOM 885 C GLU B 89 -12.910 28.601 10.231 1.00 23.07 C ATOM 886 O GLU B 89 -12.804 29.654 10.883 1.00 25.24 O ATOM 887 CB GLU B 89 -10.615 27.843 9.526 1.00 24.58 C ATOM 888 CG GLU B 89 -10.721 26.518 10.290 1.00 27.49 C ATOM 889 CD GLU B 89 -9.400 25.828 10.542 1.00 30.15 C ATOM 890 OE1 GLU B 89 -8.336 26.459 10.431 1.00 32.20 O ATOM 891 OE2 GLU B 89 -9.440 24.619 10.877 1.00 33.14 O ATOM 892 H GLU B 89 -11.633 30.432 8.657 1.00 0.00 H ATOM 893 N TRP B 90 -13.827 27.669 10.498 1.00 20.93 N ATOM 894 CA TRP B 90 -14.800 27.781 11.576 1.00 19.50 C ATOM 895 C TRP B 90 -14.600 26.638 12.565 1.00 20.02 C ATOM 896 O TRP B 90 -14.202 25.551 12.179 1.00 19.05 O ATOM 897 CB TRP B 90 -16.232 27.673 11.078 1.00 21.24 C ATOM 898 CG TRP B 90 -16.614 28.641 10.012 1.00 21.20 C ATOM 899 CD1 TRP B 90 -16.144 29.910 9.840 1.00 24.53 C ATOM 900 CD2 TRP B 90 -17.593 28.428 8.992 1.00 21.12 C ATOM 901 NE1 TRP B 90 -16.759 30.494 8.759 1.00 23.33 N ATOM 902 CE2 TRP B 90 -17.648 29.604 8.216 1.00 23.55 C ATOM 903 CE3 TRP B 90 -18.398 27.352 8.637 1.00 22.12 C ATOM 904 CZ2 TRP B 90 -18.494 29.732 7.115 1.00 22.56 C ATOM 905 CZ3 TRP B 90 -19.234 27.480 7.540 1.00 22.46 C ATOM 906 CH2 TRP B 90 -19.272 28.662 6.793 1.00 22.87 C ATOM 907 HE1 TRP B 90 -16.579 31.457 8.409 1.00 0.00 H ATOM 908 H TRP B 90 -13.848 26.816 9.904 1.00 0.00 H ATOM 909 N PHE B 91 -14.868 26.929 13.840 1.00 19.94 N ATOM 910 CA PHE B 91 -14.773 25.927 14.930 1.00 19.83 C ATOM 911 C PHE B 91 -16.085 25.907 15.719 1.00 20.09 C ATOM 912 O PHE B 91 -16.658 26.965 16.080 1.00 21.75 O ATOM 913 CB PHE B 91 -13.605 26.295 15.866 1.00 20.22 C ATOM 914 CG PHE B 91 -12.279 26.367 15.190 1.00 21.07 C ATOM 915 CD1 PHE B 91 -11.859 27.539 14.578 1.00 24.17 C ATOM 916 CD2 PHE B 91 -11.455 25.266 15.138 1.00 23.04 C ATOM 917 CE1 PHE B 91 -10.634 27.602 13.947 1.00 24.71 C ATOM 918 CE2 PHE B 91 -10.223 25.315 14.517 1.00 24.37 C ATOM 919 CZ PHE B 91 -9.815 26.493 13.908 1.00 25.36 C ATOM 920 H PHE B 91 -15.156 27.899 14.079 1.00 0.00 H ATOM 921 N PHE B 92 -16.597 24.699 15.998 1.00 20.02 N ATOM 922 CA PHE B 92 -17.823 24.522 16.745 1.00 19.91 C ATOM 923 C PHE B 92 -17.625 23.398 17.759 1.00 21.09 C ATOM 924 O PHE B 92 -16.969 22.411 17.449 1.00 22.32 O ATOM 925 CB PHE B 92 -19.003 24.166 15.847 1.00 20.23 C ATOM 926 CG PHE B 92 -19.218 25.138 14.724 1.00 21.84 C ATOM 927 CD1 PHE B 92 -19.967 26.290 14.910 1.00 22.92 C ATOM 928 CD2 PHE B 92 -18.651 24.891 13.486 1.00 21.31 C ATOM 929 CE1 PHE B 92 -20.131 27.187 13.855 1.00 24.36 C ATOM 930 CE2 PHE B 92 -18.819 25.780 12.437 1.00 22.59 C ATOM 931 CZ PHE B 92 -19.564 26.913 12.625 1.00 22.96 C ATOM 932 H PHE B 92 -16.091 23.854 15.663 1.00 0.00 H ATOM 933 N GLU B 93 -18.137 23.581 18.966 1.00 21.50 N ATOM 934 CA GLU B 93 -18.013 22.549 20.002 1.00 21.65 C ATOM 935 C GLU B 93 -19.387 22.185 20.531 1.00 21.16 C ATOM 936 O GLU B 93 -20.214 23.034 20.863 1.00 21.69 O ATOM 937 CB GLU B 93 -17.086 23.022 21.123 1.00 23.86 C ATOM 938 CG GLU B 93 -16.770 21.947 22.175 1.00 27.98 C ATOM 939 CD GLU B 93 -17.587 22.071 23.451 1.00 33.76 C ATOM 940 OE1 GLU B 93 -18.608 22.803 23.470 1.00 39.87 O ATOM 941 OE2 GLU B 93 -17.206 21.414 24.453 1.00 36.16 O ATOM 942 H GLU B 93 -18.634 24.468 19.183 1.00 0.00 H ATOM 943 N PHE B 94 -19.640 20.879 20.607 1.00 19.17 N ATOM 944 CA PHE B 94 -20.855 20.345 21.167 1.00 19.18 C ATOM 945 C PHE B 94 -20.610 19.892 22.606 1.00 19.63 C ATOM 946 O PHE B 94 -21.435 20.168 23.470 1.00 22.62 O ATOM 947 CB PHE B 94 -21.391 19.156 20.358 1.00 19.55 C ATOM 948 CG PHE B 94 -22.672 18.612 20.900 1.00 19.56 C ATOM 949 CD1 PHE B 94 -23.888 19.163 20.548 1.00 20.13 C ATOM 950 CD2 PHE B 94 -22.664 17.561 21.800 1.00 21.22 C ATOM 951 CE1 PHE B 94 -25.076 18.698 21.067 1.00 21.03 C ATOM 952 CE2 PHE B 94 -23.849 17.087 22.339 1.00 20.51 C ATOM 953 CZ PHE B 94 -25.061 17.647 21.973 1.00 20.47 C ATOM 954 H PHE B 94 -18.927 20.214 20.245 1.00 0.00 H ATOM 955 N GLY B 95 -19.494 19.208 22.819 1.00 19.51 N ATOM 956 CA GLY B 95 -19.110 18.699 24.152 1.00 19.53 C ATOM 957 C GLY B 95 -19.481 17.243 24.358 1.00 20.33 C ATOM 958 O GLY B 95 -19.364 16.408 23.466 1.00 19.67 O ATOM 959 H GLY B 95 -18.862 19.022 22.014 1.00 0.00 H ATOM 960 N PHE B 96 -19.951 16.927 25.555 1.00 19.84 N ATOM 961 CA PHE B 96 -20.213 15.545 25.900 1.00 19.69 C ATOM 962 C PHE B 96 -21.423 14.999 25.146 1.00 18.40 C ATOM 963 O PHE B 96 -22.434 15.675 24.993 1.00 19.22 O ATOM 964 CB PHE B 96 -20.427 15.456 27.421 1.00 19.95 C ATOM 965 CG PHE B 96 -20.629 14.054 27.912 1.00 20.32 C ATOM 966 CD1 PHE B 96 -19.545 13.228 28.071 1.00 21.84 C ATOM 967 CD2 PHE B 96 -21.902 13.558 28.144 1.00 22.17 C ATOM 968 CE1 PHE B 96 -19.708 11.931 28.501 1.00 22.27 C ATOM 969 CE2 PHE B 96 -22.077 12.244 28.592 1.00 23.10 C ATOM 970 CZ PHE B 96 -20.973 11.444 28.740 1.00 21.65 C ATOM 971 H PHE B 96 -20.133 17.677 26.252 1.00 0.00 H ATOM 972 N VAL B 97 -21.321 13.743 24.685 1.00 18.90 N ATOM 973 CA VAL B 97 -22.391 13.063 23.996 1.00 18.59 C ATOM 974 C VAL B 97 -22.685 11.751 24.726 1.00 17.29 C ATOM 975 O VAL B 97 -21.815 10.894 24.830 1.00 17.40 O ATOM 976 CB VAL B 97 -22.011 12.734 22.521 1.00 19.07 C ATOM 977 CG1 VAL B 97 -23.106 11.951 21.811 1.00 19.39 C ATOM 978 CG2 VAL B 97 -21.703 14.023 21.760 1.00 20.44 C ATOM 979 H VAL B 97 -20.426 13.234 24.832 1.00 0.00 H ATOM 980 N ILE B 98 -23.911 11.616 25.179 1.00 17.95 N ATOM 981 CA ILE B 98 -24.377 10.392 25.853 1.00 18.34 C ATOM 982 C ILE B 98 -24.439 9.242 24.829 1.00 17.94 C ATOM 983 O ILE B 98 -24.954 9.419 23.724 1.00 16.85 O ATOM 984 CB ILE B 98 -25.770 10.647 26.453 1.00 20.01 C ATOM 985 CG1 ILE B 98 -25.646 11.568 27.657 1.00 22.89 C ATOM 986 CG2 ILE B 98 -26.470 9.349 26.835 1.00 20.04 C ATOM 987 CD1 ILE B 98 -26.978 12.120 28.094 1.00 25.27 C ATOM 988 H ILE B 98 -24.578 12.404 25.057 1.00 0.00 H ATOM 989 N PRO B 99 -23.935 8.049 25.185 1.00 17.49 N ATOM 990 CA PRO B 99 -24.018 6.924 24.273 1.00 17.61 C ATOM 991 C PRO B 99 -25.461 6.580 23.942 1.00 16.90 C ATOM 992 O PRO B 99 -26.308 6.540 24.858 1.00 18.55 O ATOM 993 CB PRO B 99 -23.352 5.772 25.059 1.00 17.20 C ATOM 994 CG PRO B 99 -23.402 6.191 26.491 1.00 17.27 C ATOM 995 CD PRO B 99 -23.318 7.690 26.474 1.00 17.95 C ATOM 996 N ASN B 100 -25.753 6.331 22.662 1.00 18.19 N ATOM 997 CA ASN B 100 -27.075 5.977 22.153 1.00 18.14 C ATOM 998 C ASN B 100 -28.082 7.130 22.246 1.00 19.79 C ATOM 999 O ASN B 100 -29.289 6.916 22.408 1.00 24.47 O ATOM 1000 CB ASN B 100 -27.641 4.706 22.800 1.00 19.27 C ATOM 1001 CG ASN B 100 -26.749 3.514 22.588 1.00 20.18 C ATOM 1002 OD1 ASN B 100 -26.184 2.968 23.540 1.00 24.48 O ATOM 1003 ND2 ASN B 100 -26.577 3.127 21.338 1.00 19.75 N ATOM 1004 HD22 ASN B 100 -27.075 3.618 20.568 1.00 0.00 H ATOM 1005 HD21 ASN B 100 -25.943 2.331 21.123 1.00 0.00 H ATOM 1006 H ASN B 100 -24.976 6.394 21.973 1.00 0.00 H ATOM 1007 N SER B 101 -27.574 8.348 22.121 1.00 18.53 N ATOM 1008 CA SER B 101 -28.409 9.534 22.130 1.00 19.62 C ATOM 1009 C SER B 101 -28.621 10.125 20.743 1.00 19.71 C ATOM 1010 O SER B 101 -27.839 9.911 19.808 1.00 20.75 O ATOM 1011 CB SER B 101 -27.815 10.597 23.037 1.00 20.12 C ATOM 1012 OG SER B 101 -26.559 11.069 22.613 1.00 19.99 O ATOM 1013 HG SER B 101 -25.917 10.316 22.583 1.00 0.00 H ATOM 1014 H SER B 101 -26.545 8.457 22.013 1.00 0.00 H ATOM 1015 N THR B 102 -29.695 10.894 20.655 1.00 20.05 N ATOM 1016 CA THR B 102 -29.995 11.718 19.504 1.00 20.04 C ATOM 1017 C THR B 102 -30.103 13.152 20.016 1.00 20.70 C ATOM 1018 O THR B 102 -30.706 13.406 21.067 1.00 22.61 O ATOM 1019 CB THR B 102 -31.298 11.257 18.808 1.00 20.64 C ATOM 1020 OG1 THR B 102 -31.126 9.935 18.276 1.00 21.25 O ATOM 1021 CG2 THR B 102 -31.682 12.199 17.667 1.00 21.06 C ATOM 1022 HG1 THR B 102 -30.387 9.939 17.617 1.00 0.00 H ATOM 1023 H THR B 102 -30.358 10.907 21.456 1.00 0.00 H ATOM 1024 N ASN B 103 -29.456 14.079 19.308 1.00 20.16 N ATOM 1025 CA ASN B 103 -29.188 15.423 19.819 1.00 19.86 C ATOM 1026 C ASN B 103 -29.362 16.440 18.712 1.00 21.35 C ATOM 1027 O ASN B 103 -28.985 16.171 17.573 1.00 20.66 O ATOM 1028 CB ASN B 103 -27.758 15.557 20.340 1.00 21.67 C ATOM 1029 CG ASN B 103 -27.354 14.427 21.288 1.00 23.54 C ATOM 1030 OD1 ASN B 103 -27.454 14.570 22.495 1.00 26.77 O ATOM 1031 ND2 ASN B 103 -26.917 13.308 20.734 1.00 25.56 N ATOM 1032 HD22 ASN B 103 -26.849 13.232 19.699 1.00 0.00 H ATOM 1033 HD21 ASN B 103 -26.642 12.504 21.333 1.00 0.00 H ATOM 1034 H ASN B 103 -29.128 13.836 18.352 1.00 0.00 H ATOM 1035 N THR B 104 -29.904 17.608 19.056 1.00 21.21 N ATOM 1036 CA THR B 104 -29.963 18.735 18.125 1.00 22.46 C ATOM 1037 C THR B 104 -28.926 19.760 18.564 1.00 22.27 C ATOM 1038 O THR B 104 -28.799 20.109 19.743 1.00 24.63 O ATOM 1039 CB THR B 104 -31.386 19.332 18.066 1.00 22.03 C ATOM 1040 OG1 THR B 104 -32.296 18.349 17.566 1.00 22.73 O ATOM 1041 CG2 THR B 104 -31.429 20.545 17.149 1.00 25.08 C ATOM 1042 HG1 THR B 104 -33.208 18.733 17.529 1.00 0.00 H ATOM 1043 H THR B 104 -30.296 17.721 20.013 1.00 0.00 H ATOM 1044 N TRP B 105 -28.125 20.208 17.615 1.00 22.37 N ATOM 1045 CA TRP B 105 -27.013 21.079 17.881 1.00 21.42 C ATOM 1046 C TRP B 105 -27.241 22.343 17.065 1.00 24.15 C ATOM 1047 O TRP B 105 -27.292 22.274 15.836 1.00 22.45 O ATOM 1048 CB TRP B 105 -25.713 20.405 17.457 1.00 21.69 C ATOM 1049 CG TRP B 105 -24.419 21.159 17.702 1.00 22.15 C ATOM 1050 CD1 TRP B 105 -24.254 22.352 18.356 1.00 22.87 C ATOM 1051 CD2 TRP B 105 -23.109 20.731 17.338 1.00 22.36 C ATOM 1052 NE1 TRP B 105 -22.940 22.691 18.398 1.00 23.56 N ATOM 1053 CE2 TRP B 105 -22.207 21.729 17.770 1.00 21.73 C ATOM 1054 CE3 TRP B 105 -22.599 19.606 16.679 1.00 21.06 C ATOM 1055 CZ2 TRP B 105 -20.841 21.629 17.583 1.00 21.43 C ATOM 1056 CZ3 TRP B 105 -21.241 19.522 16.475 1.00 22.38 C ATOM 1057 CH2 TRP B 105 -20.366 20.538 16.937 1.00 21.59 C ATOM 1058 HE1 TRP B 105 -22.554 23.550 18.840 1.00 0.00 H ATOM 1059 H TRP B 105 -28.306 19.918 16.633 1.00 0.00 H ATOM 1060 N GLN B 106 -27.420 23.464 17.762 1.00 25.40 N ATOM 1061 CA GLN B 106 -27.652 24.769 17.128 1.00 27.44 C ATOM 1062 C GLN B 106 -26.379 25.600 17.227 1.00 25.87 C ATOM 1063 O GLN B 106 -25.728 25.661 18.275 1.00 26.73 O ATOM 1064 CB GLN B 106 -28.864 25.478 17.770 1.00 30.22 C ATOM 1065 CG GLN B 106 -29.265 26.788 17.089 1.00 34.90 C ATOM 1066 CD GLN B 106 -30.674 27.260 17.453 1.00 39.54 C ATOM 1067 OE1 GLN B 106 -31.601 26.458 17.598 1.00 42.67 O ATOM 1068 NE2 GLN B 106 -30.842 28.576 17.582 1.00 42.21 N ATOM 1069 HE22 GLN B 106 -30.035 29.219 17.452 1.00 0.00 H ATOM 1070 HE21 GLN B 106 -31.780 28.960 17.813 1.00 0.00 H ATOM 1071 H GLN B 106 -27.394 23.413 18.800 1.00 0.00 H ATOM 1072 N SER B 107 -25.976 26.203 16.109 1.00 25.20 N ATOM 1073 CA SER B 107 -24.754 26.999 16.050 1.00 24.68 C ATOM 1074 C SER B 107 -25.009 28.227 15.201 1.00 26.44 C ATOM 1075 O SER B 107 -25.840 28.181 14.286 1.00 26.87 O ATOM 1076 CB SER B 107 -23.617 26.222 15.406 1.00 26.82 C ATOM 1077 OG SER B 107 -23.230 25.131 16.225 1.00 24.37 O ATOM 1078 HG SER B 107 -22.490 24.639 15.789 1.00 0.00 H ATOM 1079 H SER B 107 -26.552 26.103 15.249 1.00 0.00 H ATOM 1080 N LEU B 108 -24.263 29.286 15.494 1.00 26.07 N ATOM 1081 CA LEU B 108 -24.332 30.528 14.724 1.00 26.49 C ATOM 1082 C LEU B 108 -23.051 30.687 13.909 1.00 27.44 C ATOM 1083 O LEU B 108 -21.933 30.511 14.420 1.00 27.14 O ATOM 1084 CB LEU B 108 -24.545 31.720 15.670 1.00 29.08 C ATOM 1085 CG LEU B 108 -24.831 33.077 15.005 1.00 30.00 C ATOM 1086 CD1 LEU B 108 -26.256 33.117 14.488 1.00 31.05 C ATOM 1087 CD2 LEU B 108 -24.582 34.221 15.979 1.00 31.38 C ATOM 1088 H LEU B 108 -23.607 29.230 16.299 1.00 0.00 H ATOM 1089 N ILE B 109 -23.218 30.990 12.624 1.00 26.82 N ATOM 1090 CA ILE B 109 -22.104 31.205 11.733 1.00 27.93 C ATOM 1091 C ILE B 109 -22.152 32.677 11.337 1.00 28.05 C ATOM 1092 O ILE B 109 -23.103 33.101 10.702 1.00 26.92 O ATOM 1093 CB ILE B 109 -22.219 30.312 10.494 1.00 28.86 C ATOM 1094 CG1 ILE B 109 -22.420 28.845 10.935 1.00 29.99 C ATOM 1095 CG2 ILE B 109 -20.979 30.454 9.609 1.00 30.74 C ATOM 1096 CD1 ILE B 109 -22.884 27.924 9.835 1.00 31.41 C ATOM 1097 H ILE B 109 -24.184 31.075 12.249 1.00 0.00 H ATOM 1098 N GLU B 110 -21.143 33.432 11.751 1.00 29.11 N ATOM 1099 CA GLU B 110 -21.068 34.865 11.459 1.00 32.17 C ATOM 1100 C GLU B 110 -20.119 35.167 10.307 1.00 31.96 C ATOM 1101 O GLU B 110 -19.009 34.622 10.232 1.00 32.99 O ATOM 1102 CB GLU B 110 -20.603 35.627 12.701 1.00 34.67 C ATOM 1103 CG GLU B 110 -21.563 35.543 13.874 1.00 38.37 C ATOM 1104 CD GLU B 110 -21.115 36.405 15.042 1.00 43.68 C ATOM 1105 OE1 GLU B 110 -20.315 35.925 15.877 1.00 49.45 O ATOM 1106 OE2 GLU B 110 -21.561 37.572 15.117 1.00 49.21 O ATOM 1107 H GLU B 110 -20.379 32.991 12.302 1.00 0.00 H ATOM 1108 N ALA B 111 -20.534 36.075 9.423 1.00 32.82 N ATOM 1109 CA ALA B 111 -19.663 36.514 8.324 1.00 35.12 C ATOM 1110 C ALA B 111 -18.352 37.123 8.824 1.00 34.34 C ATOM 1111 O ALA B 111 -18.335 37.802 9.855 1.00 34.37 O ATOM 1112 CB ALA B 111 -20.401 37.506 7.443 1.00 37.15 C ATOM 1113 H ALA B 111 -21.488 36.478 9.513 1.00 0.00 H TER 1114 ALA B 111 ATOM 1115 N MET B 117 -17.333 39.401 0.127 1.00 25.08 N ATOM 1116 CA MET B 117 -17.694 38.190 -0.581 1.00 25.55 C ATOM 1117 C MET B 117 -17.636 38.382 -2.110 1.00 25.01 C ATOM 1118 O MET B 117 -18.063 39.410 -2.645 1.00 26.48 O ATOM 1119 CB MET B 117 -19.120 37.801 -0.158 1.00 28.74 C ATOM 1120 CG MET B 117 -19.525 36.363 -0.365 1.00 32.87 C ATOM 1121 SD MET B 117 -18.655 35.236 0.729 1.00 33.71 S ATOM 1122 CE MET B 117 -19.604 35.274 2.246 1.00 35.17 C ATOM 1123 HN3 MET B 117 -17.992 40.162 -0.132 1.00 0.00 H ATOM 1124 HN2 MET B 117 -16.364 39.677 -0.132 1.00 0.00 H ATOM 1125 HN1 MET B 117 -17.384 39.230 1.152 1.00 0.00 H ATOM 1126 N MET B 118 -17.100 37.395 -2.818 1.00 21.23 N ATOM 1127 CA MET B 118 -17.209 37.374 -4.291 1.00 20.69 C ATOM 1128 C MET B 118 -18.657 37.169 -4.693 1.00 18.77 C ATOM 1129 O MET B 118 -19.459 36.703 -3.895 1.00 19.54 O ATOM 1130 CB MET B 118 -16.365 36.234 -4.897 1.00 19.88 C ATOM 1131 CG MET B 118 -14.878 36.563 -5.015 1.00 20.45 C ATOM 1132 SD MET B 118 -13.819 35.186 -5.489 1.00 20.83 S ATOM 1133 CE MET B 118 -13.590 34.419 -3.895 1.00 20.62 C ATOM 1134 H MET B 118 -16.597 36.627 -2.329 1.00 0.00 H ATOM 1135 N PRO B 119 -19.008 37.497 -5.955 1.00 19.38 N ATOM 1136 CA PRO B 119 -20.376 37.227 -6.395 1.00 18.76 C ATOM 1137 C PRO B 119 -20.713 35.748 -6.404 1.00 17.13 C ATOM 1138 O PRO B 119 -19.842 34.901 -6.673 1.00 16.06 O ATOM 1139 CB PRO B 119 -20.410 37.770 -7.828 1.00 20.06 C ATOM 1140 CG PRO B 119 -19.253 38.692 -7.919 1.00 21.43 C ATOM 1141 CD PRO B 119 -18.207 38.151 -7.000 1.00 20.74 C ATOM 1142 N ALA B 120 -21.980 35.442 -6.139 1.00 16.85 N ATOM 1143 CA ALA B 120 -22.482 34.064 -6.193 1.00 16.32 C ATOM 1144 C ALA B 120 -22.115 33.384 -7.504 1.00 15.68 C ATOM 1145 O ALA B 120 -21.787 32.196 -7.518 1.00 15.92 O ATOM 1146 CB ALA B 120 -23.981 34.019 -5.991 1.00 16.70 C ATOM 1147 H ALA B 120 -22.638 36.206 -5.885 1.00 0.00 H ATOM 1148 N SER B 121 -22.172 34.124 -8.615 1.00 16.06 N ATOM 1149 CA SER B 121 -21.866 33.509 -9.915 1.00 16.29 C ATOM 1150 C SER B 121 -20.421 33.040 -10.065 1.00 15.64 C ATOM 1151 O SER B 121 -20.158 32.101 -10.803 1.00 15.58 O ATOM 1152 CB SER B 121 -22.215 34.438 -11.074 1.00 16.97 C ATOM 1153 OG SER B 121 -21.396 35.582 -11.074 1.00 17.62 O ATOM 1154 HG SER B 121 -20.449 35.308 -11.162 1.00 0.00 H ATOM 1155 H SER B 121 -22.431 35.130 -8.561 1.00 0.00 H ATOM 1156 N VAL B 122 -19.489 33.685 -9.350 1.00 14.70 N ATOM 1157 CA VAL B 122 -18.094 33.296 -9.339 1.00 14.96 C ATOM 1158 C VAL B 122 -17.888 32.100 -8.393 1.00 14.21 C ATOM 1159 O VAL B 122 -17.147 31.156 -8.696 1.00 15.02 O ATOM 1160 CB VAL B 122 -17.190 34.497 -8.962 1.00 14.89 C ATOM 1161 CG1 VAL B 122 -15.765 34.058 -8.711 1.00 15.66 C ATOM 1162 CG2 VAL B 122 -17.287 35.591 -10.045 1.00 16.35 C ATOM 1163 H VAL B 122 -19.781 34.502 -8.777 1.00 0.00 H ATOM 1164 N LEU B 123 -18.565 32.159 -7.251 1.00 14.63 N ATOM 1165 CA LEU B 123 -18.424 31.127 -6.230 1.00 14.65 C ATOM 1166 C LEU B 123 -19.034 29.790 -6.602 1.00 14.56 C ATOM 1167 O LEU B 123 -18.524 28.722 -6.194 1.00 14.00 O ATOM 1168 CB LEU B 123 -19.020 31.599 -4.907 1.00 15.51 C ATOM 1169 CG LEU B 123 -18.299 32.747 -4.246 1.00 16.31 C ATOM 1170 CD1 LEU B 123 -19.131 33.244 -3.075 1.00 16.87 C ATOM 1171 CD2 LEU B 123 -16.897 32.384 -3.832 1.00 16.01 C ATOM 1172 H LEU B 123 -19.209 32.958 -7.082 1.00 0.00 H ATOM 1173 N THR B 124 -20.101 29.811 -7.396 1.00 14.36 N ATOM 1174 CA THR B 124 -20.926 28.622 -7.515 1.00 15.06 C ATOM 1175 C THR B 124 -20.165 27.455 -8.154 1.00 14.52 C ATOM 1176 O THR B 124 -19.513 27.600 -9.208 1.00 14.67 O ATOM 1177 CB THR B 124 -22.261 28.904 -8.220 1.00 14.91 C ATOM 1178 OG1 THR B 124 -23.125 27.776 -8.057 1.00 14.25 O ATOM 1179 CG2 THR B 124 -22.097 29.217 -9.722 1.00 15.50 C ATOM 1180 HG1 THR B 124 -23.987 27.954 -8.510 1.00 0.00 H ATOM 1181 H THR B 124 -20.342 30.672 -7.927 1.00 0.00 H ATOM 1182 N GLY B 125 -20.219 26.282 -7.505 1.00 13.84 N ATOM 1183 CA GLY B 125 -19.475 25.127 -7.945 1.00 14.21 C ATOM 1184 C GLY B 125 -17.983 25.126 -7.660 1.00 14.59 C ATOM 1185 O GLY B 125 -17.281 24.142 -7.951 1.00 16.14 O ATOM 1186 H GLY B 125 -20.816 26.203 -6.657 1.00 0.00 H ATOM 1187 N ASN B 126 -17.488 26.232 -7.107 1.00 14.46 N ATOM 1188 CA ASN B 126 -16.072 26.379 -6.812 1.00 14.52 C ATOM 1189 C ASN B 126 -15.773 26.410 -5.323 1.00 15.33 C ATOM 1190 O ASN B 126 -14.611 26.582 -4.957 1.00 16.80 O ATOM 1191 CB ASN B 126 -15.549 27.668 -7.439 1.00 14.35 C ATOM 1192 CG ASN B 126 -15.496 27.589 -8.945 1.00 14.60 C ATOM 1193 OD1 ASN B 126 -15.029 26.592 -9.489 1.00 17.53 O ATOM 1194 ND2 ASN B 126 -15.953 28.653 -9.636 1.00 14.95 N ATOM 1195 HD22 ASN B 126 -16.340 29.475 -9.129 1.00 0.00 H ATOM 1196 HD21 ASN B 126 -15.919 28.652 -10.675 1.00 0.00 H ATOM 1197 H ASN B 126 -18.134 27.014 -6.879 1.00 0.00 H ATOM 1198 N VAL B 127 -16.812 26.296 -4.492 1.00 15.25 N ATOM 1199 CA VAL B 127 -16.663 26.283 -3.051 1.00 15.84 C ATOM 1200 C VAL B 127 -16.820 24.853 -2.553 1.00 15.44 C ATOM 1201 O VAL B 127 -17.809 24.197 -2.877 1.00 16.54 O ATOM 1202 CB VAL B 127 -17.664 27.229 -2.371 1.00 15.43 C ATOM 1203 CG1 VAL B 127 -17.658 27.062 -0.860 1.00 17.01 C ATOM 1204 CG2 VAL B 127 -17.365 28.673 -2.731 1.00 15.85 C ATOM 1205 H VAL B 127 -17.767 26.213 -4.896 1.00 0.00 H ATOM 1206 N ILE B 128 -15.837 24.402 -1.763 1.00 15.82 N ATOM 1207 CA ILE B 128 -15.890 23.114 -1.050 1.00 16.57 C ATOM 1208 C ILE B 128 -15.840 23.426 0.446 1.00 16.00 C ATOM 1209 O ILE B 128 -14.962 24.173 0.900 1.00 16.61 O ATOM 1210 CB ILE B 128 -14.705 22.210 -1.440 1.00 17.90 C ATOM 1211 CG1 ILE B 128 -14.922 21.702 -2.872 1.00 20.97 C ATOM 1212 CG2 ILE B 128 -14.527 21.056 -0.428 1.00 18.85 C ATOM 1213 CD1 ILE B 128 -15.787 20.467 -2.949 1.00 22.14 C ATOM 1214 H ILE B 128 -14.990 24.994 -1.647 1.00 0.00 H ATOM 1215 N ILE B 129 -16.777 22.863 1.200 1.00 16.50 N ATOM 1216 CA ILE B 129 -16.703 22.874 2.654 1.00 16.23 C ATOM 1217 C ILE B 129 -16.088 21.549 3.082 1.00 16.19 C ATOM 1218 O ILE B 129 -16.608 20.478 2.747 1.00 15.62 O ATOM 1219 CB ILE B 129 -18.068 23.067 3.341 1.00 17.59 C ATOM 1220 CG1 ILE B 129 -18.867 24.206 2.699 1.00 17.52 C ATOM 1221 CG2 ILE B 129 -17.896 23.293 4.837 1.00 18.22 C ATOM 1222 CD1 ILE B 129 -18.146 25.552 2.733 1.00 17.69 C ATOM 1223 H ILE B 129 -17.587 22.401 0.739 1.00 0.00 H ATOM 1224 N GLU B 130 -14.949 21.635 3.775 1.00 15.50 N ATOM 1225 CA GLU B 130 -14.276 20.479 4.326 1.00 16.89 C ATOM 1226 C GLU B 130 -14.570 20.465 5.816 1.00 17.31 C ATOM 1227 O GLU B 130 -14.219 21.398 6.543 1.00 18.59 O ATOM 1228 CB GLU B 130 -12.757 20.551 4.085 1.00 18.22 C ATOM 1229 CG GLU B 130 -11.989 19.371 4.673 1.00 20.67 C ATOM 1230 CD GLU B 130 -10.492 19.659 4.736 1.00 24.04 C ATOM 1231 OE1 GLU B 130 -10.036 20.327 5.690 1.00 27.77 O ATOM 1232 OE2 GLU B 130 -9.777 19.270 3.801 1.00 29.03 O ATOM 1233 H GLU B 130 -14.528 22.574 3.925 1.00 0.00 H ATOM 1234 N THR B 131 -15.205 19.392 6.279 1.00 16.39 N ATOM 1235 CA THR B 131 -15.618 19.277 7.685 1.00 16.63 C ATOM 1236 C THR B 131 -14.861 18.139 8.336 1.00 15.97 C ATOM 1237 O THR B 131 -14.882 17.012 7.856 1.00 16.89 O ATOM 1238 CB THR B 131 -17.133 19.038 7.806 1.00 16.54 C ATOM 1239 OG1 THR B 131 -17.840 20.161 7.256 1.00 17.26 O ATOM 1240 CG2 THR B 131 -17.564 18.841 9.246 1.00 17.54 C ATOM 1241 HG1 THR B 131 -17.597 20.267 6.302 1.00 0.00 H ATOM 1242 H THR B 131 -15.416 18.610 5.626 1.00 0.00 H ATOM 1243 N LYS B 132 -14.185 18.445 9.439 1.00 16.41 N ATOM 1244 CA LYS B 132 -13.524 17.421 10.231 1.00 17.53 C ATOM 1245 C LYS B 132 -14.288 17.270 11.545 1.00 17.39 C ATOM 1246 O LYS B 132 -14.564 18.248 12.245 1.00 16.94 O ATOM 1247 CB LYS B 132 -12.067 17.802 10.487 1.00 19.34 C ATOM 1248 CG LYS B 132 -11.172 17.631 9.275 1.00 22.80 C ATOM 1249 CD LYS B 132 -9.762 18.084 9.580 1.00 26.32 C ATOM 1250 CE LYS B 132 -8.894 18.075 8.347 1.00 29.63 C ATOM 1251 NZ LYS B 132 -8.840 16.734 7.708 1.00 32.63 N ATOM 1252 HZ1 LYS B 132 -8.451 16.045 8.383 1.00 0.00 H ATOM 1253 HZ2 LYS B 132 -9.800 16.445 7.430 1.00 0.00 H ATOM 1254 HZ3 LYS B 132 -8.232 16.777 6.865 1.00 0.00 H ATOM 1255 H LYS B 132 -14.128 19.438 9.742 1.00 0.00 H ATOM 1256 N PHE B 133 -14.591 16.024 11.888 1.00 18.06 N ATOM 1257 CA PHE B 133 -15.348 15.676 13.101 1.00 19.15 C ATOM 1258 C PHE B 133 -14.313 15.085 14.060 1.00 16.88 C ATOM 1259 O PHE B 133 -13.541 14.205 13.681 1.00 17.48 O ATOM 1260 CB PHE B 133 -16.400 14.610 12.746 1.00 22.14 C ATOM 1261 CG PHE B 133 -17.438 15.081 11.765 1.00 26.55 C ATOM 1262 CD1 PHE B 133 -18.699 15.435 12.191 1.00 28.69 C ATOM 1263 CD2 PHE B 133 -17.147 15.163 10.413 1.00 30.24 C ATOM 1264 CE1 PHE B 133 -19.661 15.881 11.287 1.00 28.83 C ATOM 1265 CE2 PHE B 133 -18.102 15.602 9.499 1.00 30.25 C ATOM 1266 CZ PHE B 133 -19.352 15.975 9.945 1.00 31.64 C ATOM 1267 H PHE B 133 -14.276 15.252 11.266 1.00 0.00 H ATOM 1268 N PHE B 134 -14.282 15.624 15.282 1.00 16.50 N ATOM 1269 CA PHE B 134 -13.375 15.205 16.331 1.00 17.51 C ATOM 1270 C PHE B 134 -14.140 14.804 17.596 1.00 17.37 C ATOM 1271 O PHE B 134 -15.175 15.384 17.937 1.00 16.57 O ATOM 1272 CB PHE B 134 -12.478 16.370 16.744 1.00 18.02 C ATOM 1273 CG PHE B 134 -11.476 16.809 15.701 1.00 18.04 C ATOM 1274 CD1 PHE B 134 -10.216 16.256 15.649 1.00 18.75 C ATOM 1275 CD2 PHE B 134 -11.811 17.797 14.769 1.00 18.85 C ATOM 1276 CE1 PHE B 134 -9.292 16.651 14.701 1.00 20.64 C ATOM 1277 CE2 PHE B 134 -10.876 18.212 13.849 1.00 19.88 C ATOM 1278 CZ PHE B 134 -9.631 17.636 13.798 1.00 20.11 C ATOM 1279 H PHE B 134 -14.951 16.392 15.493 1.00 0.00 H ATOM 1280 N ASP B 135 -13.554 13.866 18.329 1.00 19.23 N ATOM 1281 CA ASP B 135 -13.808 13.758 19.762 1.00 19.66 C ATOM 1282 C ASP B 135 -12.534 14.225 20.444 1.00 19.77 C ATOM 1283 O ASP B 135 -11.534 13.523 20.456 1.00 19.75 O ATOM 1284 CB ASP B 135 -14.160 12.333 20.192 1.00 20.98 C ATOM 1285 CG ASP B 135 -14.462 12.248 21.682 1.00 24.36 C ATOM 1286 OD1 ASP B 135 -14.439 13.304 22.338 1.00 23.90 O ATOM 1287 OD2 ASP B 135 -14.718 11.141 22.195 1.00 26.03 O ATOM 1288 H ASP B 135 -12.902 13.196 17.874 1.00 0.00 H ATOM 1289 N ASP B 136 -12.579 15.435 20.983 1.00 21.53 N ATOM 1290 CA ASP B 136 -11.385 16.106 21.522 1.00 24.37 C ATOM 1291 C ASP B 136 -10.307 16.255 20.437 1.00 23.72 C ATOM 1292 O ASP B 136 -10.550 16.964 19.467 1.00 23.56 O ATOM 1293 CB ASP B 136 -10.869 15.396 22.787 1.00 26.96 C ATOM 1294 CG ASP B 136 -9.840 16.235 23.532 1.00 31.65 C ATOM 1295 OD1 ASP B 136 -10.029 17.469 23.595 1.00 31.74 O ATOM 1296 OD2 ASP B 136 -8.833 15.673 24.021 1.00 37.46 O ATOM 1297 H ASP B 136 -13.493 15.929 21.027 1.00 0.00 H ATOM 1298 N ASP B 137 -9.156 15.594 20.529 1.00 24.77 N ATOM 1299 CA ASP B 137 -8.166 15.693 19.467 1.00 26.24 C ATOM 1300 C ASP B 137 -8.097 14.450 18.566 1.00 23.21 C ATOM 1301 O ASP B 137 -7.230 14.348 17.699 1.00 24.01 O ATOM 1302 CB ASP B 137 -6.795 16.081 20.051 1.00 30.57 C ATOM 1303 CG ASP B 137 -6.726 17.569 20.457 1.00 35.70 C ATOM 1304 OD1 ASP B 137 -7.491 18.404 19.914 1.00 36.51 O ATOM 1305 OD2 ASP B 137 -5.891 17.904 21.323 1.00 39.42 O ATOM 1306 H ASP B 137 -8.963 15.004 21.363 1.00 0.00 H ATOM 1307 N LEU B 138 -9.067 13.543 18.715 1.00 21.76 N ATOM 1308 CA LEU B 138 -9.142 12.363 17.895 1.00 21.74 C ATOM 1309 C LEU B 138 -9.976 12.665 16.656 1.00 19.84 C ATOM 1310 O LEU B 138 -11.162 12.941 16.769 1.00 19.10 O ATOM 1311 CB LEU B 138 -9.790 11.218 18.672 1.00 22.19 C ATOM 1312 CG LEU B 138 -9.932 9.867 17.972 1.00 23.17 C ATOM 1313 CD1 LEU B 138 -8.567 9.304 17.616 1.00 24.00 C ATOM 1314 CD2 LEU B 138 -10.705 8.905 18.868 1.00 24.75 C ATOM 1315 H LEU B 138 -9.790 13.695 19.447 1.00 0.00 H ATOM 1316 N LEU B 139 -9.352 12.595 15.488 1.00 20.57 N ATOM 1317 CA LEU B 139 -10.068 12.795 14.234 1.00 20.55 C ATOM 1318 C LEU B 139 -10.884 11.562 13.907 1.00 20.41 C ATOM 1319 O LEU B 139 -10.321 10.456 13.770 1.00 21.68 O ATOM 1320 CB LEU B 139 -9.086 13.079 13.097 1.00 20.84 C ATOM 1321 CG LEU B 139 -9.685 13.362 11.703 1.00 21.10 C ATOM 1322 CD1 LEU B 139 -10.558 14.604 11.729 1.00 20.22 C ATOM 1323 CD2 LEU B 139 -8.571 13.509 10.677 1.00 22.29 C ATOM 1324 H LEU B 139 -8.332 12.393 15.466 1.00 0.00 H ATOM 1325 N VAL B 140 -12.187 11.745 13.786 1.00 18.70 N ATOM 1326 CA VAL B 140 -13.121 10.659 13.519 1.00 19.56 C ATOM 1327 C VAL B 140 -13.341 10.547 12.024 1.00 21.11 C ATOM 1328 O VAL B 140 -13.273 9.446 11.468 1.00 22.44 O ATOM 1329 CB VAL B 140 -14.428 10.868 14.286 1.00 20.03 C ATOM 1330 CG1 VAL B 140 -15.484 9.848 13.881 1.00 19.67 C ATOM 1331 CG2 VAL B 140 -14.151 10.829 15.789 1.00 21.01 C ATOM 1332 H VAL B 140 -12.564 12.709 13.886 1.00 0.00 H ATOM 1333 N SER B 141 -13.573 11.676 11.362 1.00 19.59 N ATOM 1334 CA SER B 141 -13.784 11.646 9.910 1.00 20.27 C ATOM 1335 C SER B 141 -13.616 13.011 9.291 1.00 19.53 C ATOM 1336 O SER B 141 -13.689 14.027 9.977 1.00 18.77 O ATOM 1337 CB SER B 141 -15.180 11.169 9.587 1.00 22.84 C ATOM 1338 OG SER B 141 -16.148 12.083 10.038 1.00 24.64 O ATOM 1339 HG SER B 141 -17.050 11.744 9.813 1.00 0.00 H ATOM 1340 H SER B 141 -13.605 12.581 11.873 1.00 0.00 H ATOM 1341 N THR B 142 -13.461 12.989 7.974 1.00 19.16 N ATOM 1342 CA THR B 142 -13.346 14.200 7.158 1.00 19.03 C ATOM 1343 C THR B 142 -14.332 14.036 6.023 1.00 19.49 C ATOM 1344 O THR B 142 -14.396 12.971 5.420 1.00 19.82 O ATOM 1345 CB THR B 142 -11.935 14.343 6.575 1.00 21.36 C ATOM 1346 OG1 THR B 142 -10.971 14.356 7.636 1.00 22.94 O ATOM 1347 CG2 THR B 142 -11.805 15.643 5.798 1.00 22.87 C ATOM 1348 HG1 THR B 142 -11.031 13.509 8.145 1.00 0.00 H ATOM 1349 H THR B 142 -13.419 12.066 7.497 1.00 0.00 H ATOM 1350 N SER B 143 -15.121 15.064 5.755 1.00 18.91 N ATOM 1351 CA SER B 143 -16.064 15.007 4.639 1.00 18.29 C ATOM 1352 C SER B 143 -16.044 16.295 3.856 1.00 17.12 C ATOM 1353 O SER B 143 -15.558 17.325 4.317 1.00 16.87 O ATOM 1354 CB SER B 143 -17.466 14.689 5.128 1.00 20.28 C ATOM 1355 OG SER B 143 -17.953 15.682 6.011 1.00 22.99 O ATOM 1356 HG SER B 143 -17.977 16.554 5.544 1.00 0.00 H ATOM 1357 H SER B 143 -15.070 15.920 6.343 1.00 0.00 H ATOM 1358 N ARG B 144 -16.563 16.214 2.634 1.00 16.38 N ATOM 1359 CA ARG B 144 -16.548 17.372 1.732 1.00 16.78 C ATOM 1360 C ARG B 144 -17.882 17.566 1.053 1.00 15.98 C ATOM 1361 O ARG B 144 -18.506 16.598 0.614 1.00 16.98 O ATOM 1362 CB ARG B 144 -15.459 17.198 0.685 1.00 17.77 C ATOM 1363 CG ARG B 144 -14.074 17.337 1.283 1.00 20.38 C ATOM 1364 CD ARG B 144 -12.978 17.050 0.295 1.00 23.23 C ATOM 1365 NE ARG B 144 -11.678 17.180 0.943 1.00 27.41 N ATOM 1366 CZ ARG B 144 -11.083 16.228 1.662 1.00 30.33 C ATOM 1367 NH1 ARG B 144 -11.644 15.036 1.839 1.00 31.66 N ATOM 1368 NH2 ARG B 144 -9.904 16.470 2.203 1.00 32.38 N ATOM 1369 HE ARG B 144 -11.177 18.085 0.836 1.00 0.00 H ATOM 1370 HH12 ARG B 144 -11.158 14.311 2.405 1.00 0.00 H ATOM 1371 HH11 ARG B 144 -12.569 14.828 1.412 1.00 0.00 H ATOM 1372 HH22 ARG B 144 -9.430 15.735 2.766 1.00 0.00 H ATOM 1373 HH21 ARG B 144 -9.449 17.395 2.066 1.00 0.00 H ATOM 1374 H ARG B 144 -16.985 15.319 2.314 1.00 0.00 H ATOM 1375 N VAL B 145 -18.312 18.835 0.957 1.00 15.59 N ATOM 1376 CA VAL B 145 -19.524 19.194 0.215 1.00 16.69 C ATOM 1377 C VAL B 145 -19.201 20.343 -0.749 1.00 15.93 C ATOM 1378 O VAL B 145 -18.611 21.374 -0.355 1.00 16.03 O ATOM 1379 CB VAL B 145 -20.685 19.649 1.144 1.00 18.04 C ATOM 1380 CG1 VAL B 145 -21.975 19.912 0.353 1.00 19.57 C ATOM 1381 CG2 VAL B 145 -20.929 18.673 2.300 1.00 20.25 C ATOM 1382 H VAL B 145 -17.767 19.587 1.424 1.00 0.00 H ATOM 1383 N ARG B 146 -19.601 20.180 -2.007 1.00 14.87 N ATOM 1384 CA ARG B 146 -19.429 21.229 -3.016 1.00 14.99 C ATOM 1385 C ARG B 146 -20.725 22.028 -3.046 1.00 14.31 C ATOM 1386 O ARG B 146 -21.818 21.452 -3.071 1.00 15.13 O ATOM 1387 CB ARG B 146 -19.147 20.630 -4.403 1.00 16.60 C ATOM 1388 CG ARG B 146 -18.886 21.693 -5.467 1.00 17.19 C ATOM 1389 CD ARG B 146 -18.431 21.114 -6.814 1.00 18.97 C ATOM 1390 NE ARG B 146 -17.221 20.305 -6.701 1.00 20.86 N ATOM 1391 CZ ARG B 146 -15.970 20.763 -6.704 1.00 23.09 C ATOM 1392 NH1 ARG B 146 -15.691 22.058 -6.852 1.00 24.08 N ATOM 1393 NH2 ARG B 146 -14.966 19.898 -6.555 1.00 25.15 N ATOM 1394 HE ARG B 146 -17.347 19.277 -6.610 1.00 0.00 H ATOM 1395 HH12 ARG B 146 -14.702 22.381 -6.849 1.00 0.00 H ATOM 1396 HH11 ARG B 146 -16.462 22.746 -6.970 1.00 0.00 H ATOM 1397 HH22 ARG B 146 -13.983 20.237 -6.555 1.00 0.00 H ATOM 1398 HH21 ARG B 146 -15.166 18.884 -6.439 1.00 0.00 H ATOM 1399 H ARG B 146 -20.049 19.283 -2.283 1.00 0.00 H ATOM 1400 N LEU B 147 -20.593 23.353 -3.024 1.00 14.07 N ATOM 1401 CA LEU B 147 -21.759 24.242 -2.972 1.00 14.29 C ATOM 1402 C LEU B 147 -22.042 24.934 -4.297 1.00 14.47 C ATOM 1403 O LEU B 147 -21.129 25.428 -4.971 1.00 15.91 O ATOM 1404 CB LEU B 147 -21.614 25.335 -1.891 1.00 15.50 C ATOM 1405 CG LEU B 147 -21.457 24.832 -0.454 1.00 16.24 C ATOM 1406 CD1 LEU B 147 -21.423 26.015 0.503 1.00 17.02 C ATOM 1407 CD2 LEU B 147 -22.551 23.849 -0.101 1.00 17.50 C ATOM 1408 H LEU B 147 -19.640 23.768 -3.044 1.00 0.00 H ATOM 1409 N PHE B 148 -23.325 24.967 -4.631 1.00 15.63 N ATOM 1410 CA PHE B 148 -23.865 25.750 -5.737 1.00 15.31 C ATOM 1411 C PHE B 148 -24.788 26.803 -5.134 1.00 16.80 C ATOM 1412 O PHE B 148 -25.595 26.505 -4.262 1.00 18.65 O ATOM 1413 CB PHE B 148 -24.608 24.818 -6.714 1.00 15.16 C ATOM 1414 CG PHE B 148 -23.754 23.681 -7.202 1.00 16.47 C ATOM 1415 CD1 PHE B 148 -22.856 23.850 -8.238 1.00 16.11 C ATOM 1416 CD2 PHE B 148 -23.779 22.459 -6.551 1.00 20.05 C ATOM 1417 CE1 PHE B 148 -22.046 22.829 -8.659 1.00 17.33 C ATOM 1418 CE2 PHE B 148 -22.952 21.413 -6.966 1.00 20.42 C ATOM 1419 CZ PHE B 148 -22.078 21.601 -8.025 1.00 19.38 C ATOM 1420 H PHE B 148 -23.989 24.398 -4.068 1.00 0.00 H ATOM 1421 N TYR B 149 -24.639 28.035 -5.598 1.00 16.45 N ATOM 1422 CA TYR B 149 -25.443 29.174 -5.175 1.00 17.56 C ATOM 1423 C TYR B 149 -26.450 29.432 -6.274 1.00 19.21 C ATOM 1424 O TYR B 149 -26.074 29.687 -7.425 1.00 18.74 O ATOM 1425 CB TYR B 149 -24.563 30.406 -4.902 1.00 18.14 C ATOM 1426 CG TYR B 149 -23.544 30.125 -3.814 1.00 17.59 C ATOM 1427 CD1 TYR B 149 -23.886 30.271 -2.477 1.00 18.88 C ATOM 1428 CD2 TYR B 149 -22.287 29.634 -4.113 1.00 18.07 C ATOM 1429 CE1 TYR B 149 -22.963 29.989 -1.478 1.00 18.74 C ATOM 1430 CE2 TYR B 149 -21.373 29.346 -3.123 1.00 18.57 C ATOM 1431 CZ TYR B 149 -21.720 29.508 -1.814 1.00 19.76 C ATOM 1432 OH TYR B 149 -20.790 29.236 -0.829 1.00 20.71 O ATOM 1433 HH TYR B 149 -21.194 29.402 0.059 1.00 0.00 H ATOM 1434 H TYR B 149 -23.900 28.200 -6.311 1.00 0.00 H ATOM 1435 N VAL B 150 -27.720 29.372 -5.905 1.00 21.17 N ATOM 1436 CA VAL B 150 -28.797 29.413 -6.901 1.00 24.40 C ATOM 1437 C VAL B 150 -29.601 30.699 -6.728 1.00 26.99 C ATOM 1438 O VAL B 150 -29.810 31.165 -5.605 1.00 24.89 O ATOM 1439 CB VAL B 150 -29.671 28.153 -6.837 1.00 27.18 C ATOM 1440 CG1 VAL B 150 -28.795 26.915 -6.978 1.00 28.78 C ATOM 1441 CG2 VAL B 150 -30.479 28.080 -5.551 1.00 30.61 C ATOM 1442 H VAL B 150 -27.958 29.295 -4.895 1.00 0.00 H TER 1443 VAL B 150 HETATM 1444 O HOH 1 -19.260 17.178 4.853 1.00 28.62 O HETATM 1445 O HOH 2 -12.803 7.022 11.704 1.00 27.87 O HETATM 1446 O HOH 3 -37.586 30.234 11.949 1.00 42.49 O HETATM 1447 O HOH 4 -16.012 8.225 25.676 1.00 36.80 O HETATM 1448 O HOH 5 -7.298 23.742 11.894 1.00 38.33 O HETATM 1449 O HOH 6 -24.910 8.348 7.705 1.00 26.30 O HETATM 1450 O HOH 7 -32.373 24.642 -7.713 1.00 44.55 O HETATM 1451 O HOH 8 -22.582 23.009 14.900 1.00 26.05 O HETATM 1452 O HOH 9 -17.350 13.441 2.020 1.00 17.07 O HETATM 1453 O HOH 10 -31.965 39.208 6.274 1.00 38.90 O HETATM 1454 O HOH 11 -34.777 19.169 17.794 1.00 37.12 O HETATM 1455 O HOH 12 -6.470 32.463 1.507 1.00 41.31 O HETATM 1456 O HOH 13 -14.223 17.035 -2.968 1.00 36.45 O HETATM 1457 O HOH 14 -23.381 2.527 23.260 1.00 21.91 O HETATM 1458 O HOH 15 -18.702 11.600 9.518 1.00 28.93 O HETATM 1459 O HOH 16 -21.063 0.978 22.028 1.00 23.46 O HETATM 1460 O HOH 17 -14.504 8.557 22.833 1.00 34.18 O HETATM 1461 O HOH 18 -33.878 12.668 14.719 1.00 35.30 O HETATM 1462 O HOH 19 -29.586 11.141 7.162 1.00 25.17 O HETATM 1463 O HOH 20 -7.380 20.580 6.116 1.00 41.20 O HETATM 1464 O HOH 21 -13.839 12.248 2.875 1.00 24.64 O HETATM 1465 O HOH 22 -19.427 1.454 16.629 1.00 32.36 O HETATM 1466 O HOH 23 -21.152 6.066 9.798 1.00 24.61 O HETATM 1467 O HOH 24 -31.407 26.770 11.831 1.00 33.93 O HETATM 1468 O HOH 25 -26.061 13.689 24.646 1.00 26.41 O HETATM 1469 O HOH 26 -6.298 22.470 -1.638 1.00 41.16 O HETATM 1470 O HOH 27 -16.573 18.327 26.591 1.00 32.64 O HETATM 1471 O HOH 28 -18.307 19.370 4.686 1.00 19.72 O HETATM 1472 O HOH 29 -21.040 6.947 17.528 1.00 15.50 O HETATM 1473 O HOH 30 -30.374 7.646 19.569 1.00 42.26 O HETATM 1474 O HOH 31 -13.228 24.675 -8.727 1.00 26.18 O HETATM 1475 O HOH 32 -34.641 35.787 5.147 1.00 29.34 O HETATM 1476 O HOH 33 -35.449 21.177 9.112 1.00 38.91 O HETATM 1477 O HOH 34 -28.147 30.144 16.304 1.00 54.77 O HETATM 1478 O HOH 35 -18.546 28.635 17.186 1.00 35.28 O HETATM 1479 O HOH 36 -9.442 21.538 9.939 1.00 27.76 O HETATM 1480 O HOH 37 -10.510 28.098 -12.517 1.00 31.64 O HETATM 1481 O HOH 38 -30.241 7.750 13.411 1.00 29.51 O HETATM 1482 O HOH 39 -7.834 9.290 14.049 1.00 42.55 O HETATM 1483 O HOH 40 -22.733 8.091 9.120 1.00 31.39 O HETATM 1484 O HOH 41 -32.558 10.961 8.006 1.00 35.04 O HETATM 1485 O HOH 42 -31.712 9.129 10.046 1.00 33.30 O HETATM 1486 O HOH 43 -24.020 25.935 20.462 1.00 42.05 O HETATM 1487 O HOH 44 -10.249 19.500 21.695 1.00 39.25 O HETATM 1488 O HOH 45 -16.970 6.507 0.876 1.00 28.54 O HETATM 1489 O HOH 46 -24.822 15.017 -2.609 1.00 27.50 O HETATM 1490 O HOH 47 -19.337 34.729 -12.776 1.00 21.28 O HETATM 1491 O HOH 48 -23.523 1.176 12.401 1.00 20.61 O HETATM 1492 O HOH 49 -29.525 37.867 2.549 1.00 31.81 O HETATM 1493 O HOH 50 -27.645 18.247 -0.454 1.00 35.63 O HETATM 1494 O HOH 51 -26.595 6.327 15.704 1.00 31.59 O HETATM 1495 O HOH 52 -21.995 31.198 -12.755 1.00 18.62 O HETATM 1496 O HOH 53 -28.990 6.858 25.704 1.00 30.80 O HETATM 1497 O HOH 54 -5.234 27.071 1.394 1.00 31.14 O HETATM 1498 O HOH 55 -13.516 22.600 16.947 1.00 22.09 O HETATM 1499 O HOH 56 -24.968 31.815 -8.959 1.00 27.03 O HETATM 1500 O HOH 57 -21.848 37.559 4.416 1.00 37.54 O HETATM 1501 O HOH 58 -17.137 11.765 -5.112 1.00 35.71 O HETATM 1502 O HOH 59 -25.832 36.969 -3.187 1.00 33.66 O HETATM 1503 O HOH 60 -11.460 21.091 8.046 1.00 25.04 O HETATM 1504 O HOH 61 -21.913 37.818 -2.938 1.00 31.02 O HETATM 1505 O HOH 62 -30.710 17.902 21.800 1.00 40.88 O HETATM 1506 O HOH 63 -25.720 0.493 20.564 1.00 28.12 O HETATM 1507 O HOH 64 -15.906 35.194 -1.403 1.00 22.20 O HETATM 1508 O HOH 65 -35.750 14.806 15.133 1.00 42.63 O HETATM 1509 O HOH 66 -16.415 33.653 11.017 1.00 50.82 O HETATM 1510 O HOH 67 -6.878 19.957 12.637 1.00 47.16 O HETATM 1511 O HOH 68 -22.986 18.476 25.430 1.00 29.83 O HETATM 1512 O HOH 69 -10.377 11.616 8.355 1.00 35.78 O HETATM 1513 O HOH 70 -19.047 4.432 23.696 1.00 21.68 O HETATM 1514 O HOH 71 -7.653 13.476 21.813 1.00 42.21 O HETATM 1515 O HOH 72 -30.017 4.298 8.452 1.00 41.74 O HETATM 1516 O HOH 73 -28.187 37.608 9.304 1.00 43.01 O HETATM 1517 O HOH 74 -15.413 29.732 14.412 1.00 25.94 O HETATM 1518 O HOH 75 -33.737 14.965 18.611 1.00 35.72 O HETATM 1519 O HOH 76 -32.900 15.889 1.724 1.00 48.55 O HETATM 1520 O HOH 77 -27.336 23.474 20.707 1.00 32.56 O HETATM 1521 O HOH 78 -6.492 11.897 15.356 1.00 29.53 O HETATM 1522 O HOH 79 -36.079 34.840 -2.739 1.00 28.11 O HETATM 1523 O HOH 80 -22.801 29.361 18.055 1.00 30.27 O HETATM 1524 O HOH 81 -21.998 40.340 -1.484 1.00 41.21 O HETATM 1525 O HOH 82 -14.215 13.961 0.862 1.00 34.58 O HETATM 1526 O HOH 83 -23.204 34.554 7.374 1.00 43.74 O HETATM 1527 O HOH 84 -25.117 23.211 14.047 1.00 23.74 O HETATM 1528 O HOH 85 -39.010 29.596 6.785 1.00 49.33 O HETATM 1529 O HOH 86 -10.684 11.387 22.341 1.00 42.45 O HETATM 1530 O HOH 87 -7.280 19.799 15.802 1.00 43.90 O HETATM 1531 O HOH 88 -20.864 9.927 8.785 1.00 32.02 O HETATM 1532 O HOH 89 -16.129 14.830 28.810 1.00 43.19 O HETATM 1533 O HOH 90 -33.452 23.095 0.897 1.00 31.52 O HETATM 1534 O HOH 91 -12.586 10.297 7.007 1.00 24.73 O HETATM 1535 O HOH 92 -29.151 20.786 -1.657 1.00 24.59 O HETATM 1536 O HOH 93 -29.735 39.055 7.606 1.00 58.48 O HETATM 1537 O HOH 94 -25.118 15.693 26.334 1.00 38.91 O HETATM 1538 O HOH 95 -7.825 29.761 -5.284 1.00 24.53 O HETATM 1539 O HOH 96 -31.425 10.721 23.115 1.00 29.51 O HETATM 1540 O HOH 97 -30.289 13.789 24.029 1.00 43.63 O HETATM 1541 O HOH 98 -24.975 -2.899 11.248 1.00 38.08 O HETATM 1542 O HOH 99 -34.108 19.120 7.831 1.00 34.46 O HETATM 1543 O HOH 100 -10.919 32.199 9.326 1.00 36.17 O HETATM 1544 O HOH 101 -28.182 9.861 5.030 1.00 27.27 O HETATM 1545 O HOH 102 -16.237 40.513 -4.898 1.00 46.15 O HETATM 1546 O HOH 103 -21.876 40.076 1.122 1.00 32.75 O HETATM 1547 O HOH 104 -18.567 22.538 -10.339 1.00 40.71 O HETATM 1548 O HOH 105 -12.443 24.389 -3.610 1.00 24.77 O HETATM 1549 O HOH 106 -12.942 23.542 -6.137 1.00 32.43 O HETATM 1550 O HOH 107 -32.132 11.185 2.422 1.00 42.66 O HETATM 1551 O HOH 108 -8.749 13.658 3.626 1.00 46.35 O HETATM 1552 O HOH 109 -22.982 12.557 -3.230 1.00 47.64 O HETATM 1553 O HOH 110 -29.348 40.033 4.382 1.00 48.97 O HETATM 1554 O HOH 111 -20.660 40.294 -4.858 1.00 51.74 O HETATM 1555 O HOH 112 -4.920 24.791 3.458 1.00 48.05 O HETATM 1556 O HOH 113 -15.609 26.466 19.355 1.00 38.99 O HETATM 1557 O HOH 114 -27.888 6.338 18.831 1.00 39.48 O HETATM 1558 O HOH 115 -13.430 7.681 3.181 1.00 39.69 O HETATM 1559 O HOH 116 -16.154 1.447 23.945 1.00 25.96 O HETATM 1560 O HOH 117 -27.541 18.351 -6.038 1.00 57.01 O HETATM 1561 O HOH 118 -30.371 9.130 25.181 1.00 48.00 O HETATM 1562 O HOH 119 -19.242 19.848 -9.807 1.00 33.97 O HETATM 1563 O HOH 120 -13.389 22.903 21.364 1.00 38.01 O HETATM 1564 O HOH 121 -10.770 22.118 -2.917 1.00 37.83 O HETATM 1565 O HOH 122 -13.917 24.223 19.034 1.00 33.01 O HETATM 1566 O HOH 123 -16.106 5.664 26.535 1.00 26.01 O HETATM 1567 O HOH 124 -18.152 41.962 -5.697 1.00 52.14 O HETATM 1568 O HOH 125 -10.151 6.962 11.782 1.00 50.33 O HETATM 1569 O HOH 126 -12.219 18.497 -3.063 1.00 38.05 O HETATM 1570 O HOH 127 -30.177 39.191 0.078 1.00 35.07 O HETATM 1571 O HOH 128 -10.190 25.005 18.767 1.00 52.12 O HETATM 1572 O HOH 129 -10.700 25.463 -10.457 1.00 43.82 O HETATM 1573 O HOH 130 -13.471 7.651 7.048 1.00 42.00 O HETATM 1574 O HOH 131 -33.101 39.052 0.000 1.00 38.06 O HETATM 1575 CBC NH A 6 -22.709 21.524 7.356 1.00 -0.06 C HETATM 1576 CBD NH A 6 -22.591 20.476 8.260 1.00 -0.05 C HETATM 1577 CBE NH A 6 -21.814 19.394 7.902 1.00 0.03 C HETATM 1578 CL NH A 6 -21.678 18.121 8.998 1.00 -0.08 CL HETATM 1579 CBF NH A 6 -21.132 19.344 6.708 1.00 -0.05 C HETATM 1580 CBG NH A 6 -21.233 20.406 5.822 1.00 -0.06 C HETATM 1581 CAW NH A 6 -22.031 21.499 6.128 1.00 -0.02 C HETATM 1582 CAV NH A 6 -22.084 22.527 5.184 1.00 0.06 C HETATM 1583 NAU NH A 6 -23.130 23.530 5.563 1.00 -0.22 N HETATM 1584 CAX NH A 6 -24.056 23.466 4.420 1.00 0.04 C HETATM 1585 CAY NH A 6 -24.499 24.629 3.652 1.00 -0.03 C HETATM 1586 CAZ NH A 6 -25.279 23.745 2.642 1.00 -0.05 C HETATM 1587 CBA NH A 6 -25.812 22.548 3.405 1.00 -0.05 C HETATM 1588 CBB NH A 6 -25.339 22.792 4.809 1.00 -0.03 C HETATM 1589 H14 NH A 6 -26.012 23.452 5.377 1.00 0.03 H HETATM 1590 H15 NH A 6 -25.177 21.861 5.372 1.00 0.03 H HETATM 1591 H12 NH A 6 -25.396 21.610 3.007 1.00 0.03 H HETATM 1592 H13 NH A 6 -26.910 22.510 3.361 1.00 0.03 H HETATM 1593 H10 NH A 6 -24.607 23.410 1.838 1.00 0.03 H HETATM 1594 H11 NH A 6 -26.113 24.316 2.208 1.00 0.03 H HETATM 1595 H8 NH A 6 -23.674 25.195 3.195 1.00 0.03 H HETATM 1596 H9 NH A 6 -25.141 25.315 4.224 1.00 0.03 H HETATM 1597 H7 NH A 6 -23.538 22.821 3.695 1.00 0.05 H HETATM 1598 SAR NH A 6 -22.507 24.927 6.498 1.00 0.07 S HETATM 1599 OAS NH A 6 -23.504 25.179 7.564 1.00 -0.15 O HETATM 1600 OAT NH A 6 -21.139 24.554 6.936 1.00 -0.15 O HETATM 1601 CAO NH A 6 -22.410 26.384 5.527 1.00 0.11 C HETATM 1602 CAP NH A 6 -21.475 26.425 4.510 1.00 -0.03 C HETATM 1603 CAQ NH A 6 -21.379 27.546 3.700 1.00 -0.03 C HETATM 1604 CAL NH A 6 -22.210 28.626 3.925 1.00 0.11 C HETATM 1605 CAM NH A 6 -23.145 28.598 4.939 1.00 -0.03 C HETATM 1606 CAN NH A 6 -23.244 27.474 5.751 1.00 -0.03 C HETATM 1607 H18 NH A 6 -23.969 27.447 6.556 1.00 0.06 H HETATM 1608 H19 NH A 6 -23.799 29.447 5.102 1.00 0.06 H HETATM 1609 SAI NH A 6 -22.073 30.061 2.886 1.00 0.07 S HETATM 1610 OAJ NH A 6 -21.823 29.577 1.510 1.00 -0.15 O HETATM 1611 OAK NH A 6 -23.310 30.892 3.077 1.00 -0.15 O HETATM 1612 NAH NH A 6 -20.708 30.990 3.379 1.00 -0.24 N HETATM 1613 CAA NH A 6 -19.434 30.287 3.214 1.00 0.06 C HETATM 1614 CAB NH A 6 -18.441 31.105 2.570 1.00 -0.02 C HETATM 1615 CAC NH A 6 -18.285 31.101 1.183 1.00 -0.06 C HETATM 1616 CAD NH A 6 -17.298 31.873 0.562 1.00 -0.07 C HETATM 1617 CAE NH A 6 -16.438 32.664 1.327 1.00 -0.07 C HETATM 1618 CAF NH A 6 -16.586 32.678 2.713 1.00 -0.07 C HETATM 1619 CAG NH A 6 -17.569 31.899 3.320 1.00 -0.06 C HETATM 1620 H27 NH A 6 -17.660 31.909 4.400 1.00 0.06 H HETATM 1621 H26 NH A 6 -15.935 33.296 3.320 1.00 0.06 H HETATM 1622 H25 NH A 6 -15.667 33.258 0.850 1.00 0.06 H HETATM 1623 H24 NH A 6 -17.200 31.857 -0.517 1.00 0.06 H HETATM 1624 H23 NH A 6 -18.941 30.488 0.576 1.00 0.06 H HETATM 1625 H21 NH A 6 -19.602 29.388 2.603 1.00 0.06 H HETATM 1626 H22 NH A 6 -19.061 29.992 4.206 1.00 0.06 H HETATM 1627 H20 NH A 6 -20.779 31.919 3.743 1.00 0.17 H HETATM 1628 H17 NH A 6 -20.655 27.575 2.894 1.00 0.06 H HETATM 1629 H16 NH A 6 -20.816 25.580 4.346 1.00 0.06 H HETATM 1630 H5 NH A 6 -22.329 22.103 4.199 1.00 0.06 H HETATM 1631 H6 NH A 6 -21.105 23.025 5.135 1.00 0.06 H HETATM 1632 H4 NH A 6 -20.686 20.382 4.886 1.00 0.06 H HETATM 1633 H3 NH A 6 -20.521 18.483 6.462 1.00 0.06 H HETATM 1634 H2 NH A 6 -23.095 20.508 9.219 1.00 0.06 H HETATM 1635 H1 NH A 6 -23.334 22.374 7.603 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1115 1116 1123 1124 1125 CONECT 1123 1115 CONECT 1124 1115 CONECT 1125 1115 CONECT 1575 1576 1581 1635 CONECT 1576 1575 1577 1634 CONECT 1577 1576 1578 1579 CONECT 1578 1577 CONECT 1579 1577 1580 1633 CONECT 1580 1579 1581 1632 CONECT 1581 1575 1580 1582 CONECT 1582 1581 1583 1630 1631 CONECT 1583 1582 1584 1598 CONECT 1584 1583 1585 1588 1597 CONECT 1585 1584 1586 1595 1596 CONECT 1586 1585 1587 1593 1594 CONECT 1587 1586 1588 1591 1592 CONECT 1588 1584 1587 1589 1590 CONECT 1589 1588 CONECT 1590 1588 CONECT 1591 1587 CONECT 1592 1587 CONECT 1593 1586 CONECT 1594 1586 CONECT 1595 1585 CONECT 1596 1585 CONECT 1597 1584 CONECT 1598 1583 1599 1600 1601 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1598 1602 1606 CONECT 1602 1601 1603 1629 CONECT 1603 1602 1604 1628 CONECT 1604 1603 1605 1609 CONECT 1605 1604 1606 1608 CONECT 1606 1601 1605 1607 CONECT 1607 1606 CONECT 1608 1605 CONECT 1609 1604 1610 1611 1612 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1609 1613 1627 CONECT 1613 1612 1614 1625 1626 CONECT 1614 1613 1615 1619 CONECT 1615 1614 1616 1624 CONECT 1616 1615 1617 1623 CONECT 1617 1616 1618 1622 CONECT 1618 1617 1619 1621 CONECT 1619 1614 1618 1620 CONECT 1620 1619 CONECT 1621 1618 CONECT 1622 1617 CONECT 1623 1616 CONECT 1624 1615 CONECT 1625 1613 CONECT 1626 1613 CONECT 1627 1612 CONECT 1628 1603 CONECT 1629 1602 CONECT 1630 1582 CONECT 1631 1582 CONECT 1632 1580 CONECT 1633 1579 CONECT 1634 1576 CONECT 1635 1575 MASTER 0 0 0 0 0 0 0 0 1633 2 69 12 END
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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
5ml2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
NH6
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=13nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 2423-2428
Ligand Properties
Formula
C
2
5
H
2
7
ClN
2
O
4
S
2
Molecular Weight
519.076
Exact Mass
518.110
No. of atoms
61
No. of bonds
64
Polar Surface Area
100.31
LOGP Value
4.92 (
Computed with XLOGP3
)
7.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Clc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccccc1)C1CCCC1
InChI String
InChI=1S/C25H27ClN2O4S2/c26-22-12-10-21(11-13-22)19-28(23-8-4-5-9-23)34(31,32)25-16-14-24(15-17-25)33(29,30)27-18-20-6-2-1-3-7-20/h1-3,6-7,10-17,23,27H,4-5,8-9,18-19H2
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):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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