Browse entries in the PDBbind-CN Database
HEADER 4RR6_COMPLEX COMPND 4RR6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 MET ARG LEU LEU TYR LEU HIS ALA ASP ARG PHE GLU TYR SEQRES 2 A 136 LYS THR VAL LYS PRO ALA LEU LYS ASN PRO PRO ASP PRO SEQRES 3 A 136 PRO GLY GLU ALA SER PHE GLY GLU ALA LEU VAL VAL PHE SEQRES 4 A 136 THR THR VAL GLU ASP GLY ASP GLY PRO GLN THR VAL MET SEQRES 5 A 136 TYR ALA ALA SER ASP ILE ALA SER HIS SER SER ARG LEU SEQRES 6 A 136 LYS VAL THR THR VAL ILE LEU TYR PRO TYR ALA HIS LEU SEQRES 7 A 136 SER SER ARG LEU ALA LYS PRO MET ALA ALA HIS LYS ARG SEQRES 8 A 136 LEU ILE GLU LEU GLU GLY ALA LEU ARG THR LYS PHE PRO SEQRES 9 A 136 GLY HIS VAL HIS ARG ALA PRO PHE GLY TRP TYR LYS SER SEQRES 10 A 136 PHE SER ILE ALA CYS LYS GLY HIS PRO LEU ALA GLU LEU SEQRES 11 A 136 SER ARG SER PHE THR GLU SEQRES 1 B 136 MET ARG LEU LEU TYR LEU HIS ALA ASP ARG PHE GLU TYR SEQRES 2 B 136 LYS THR VAL LYS PRO ALA LEU LYS ASN PRO PRO ASP PRO SEQRES 3 B 136 PRO GLY GLU ALA SER PHE GLY GLU ALA LEU VAL VAL PHE SEQRES 4 B 136 THR THR VAL GLU ASP GLY ASP GLY PRO GLN THR VAL MET SEQRES 5 B 136 TYR ALA ALA SER ASP ILE ALA SER HIS SER SER ARG LEU SEQRES 6 B 136 LYS VAL THR THR VAL ILE LEU TYR PRO TYR ALA HIS LEU SEQRES 7 B 136 SER SER ARG LEU ALA LYS PRO MET ALA ALA HIS LYS ARG SEQRES 8 B 136 LEU ILE GLU LEU GLU GLY ALA LEU ARG THR LYS PHE PRO SEQRES 9 B 136 GLY HIS VAL HIS ARG ALA PRO PHE GLY TRP TYR LYS SER SEQRES 10 B 136 PHE SER ILE ALA CYS LYS GLY HIS PRO LEU ALA GLU LEU SEQRES 11 B 136 SER ARG SER PHE THR GLU HET A A 3S 45 ATOM 1 N MET A 1 18.073 6.983 6.304 1.00 15.22 N ATOM 2 CA MET A 1 17.017 5.955 6.188 1.00 16.89 C ATOM 3 C MET A 1 15.640 6.615 6.215 1.00 17.24 C ATOM 4 O MET A 1 15.377 7.490 7.046 1.00 18.51 O ATOM 5 CB MET A 1 17.141 4.951 7.344 1.00 16.53 C ATOM 6 CG MET A 1 16.150 3.748 7.268 1.00 18.53 C ATOM 7 SD MET A 1 16.484 2.609 8.639 1.00 20.86 S ATOM 8 CE MET A 1 18.090 1.968 8.148 1.00 23.88 C ATOM 9 HN3 MET A 1 17.957 7.498 7.200 1.00 0.00 H ATOM 10 HN2 MET A 1 17.996 7.648 5.508 1.00 0.00 H ATOM 11 HN1 MET A 1 19.006 6.524 6.285 1.00 0.00 H ATOM 12 N ARG A 2 14.782 6.220 5.276 1.00 18.13 N ATOM 13 CA ARG A 2 13.426 6.772 5.171 1.00 17.46 C ATOM 14 C ARG A 2 12.451 5.632 5.357 1.00 17.25 C ATOM 15 O ARG A 2 12.589 4.576 4.704 1.00 18.26 O ATOM 16 CB ARG A 2 13.253 7.478 3.808 1.00 17.92 C ATOM 17 CG ARG A 2 11.817 8.036 3.545 1.00 21.07 C ATOM 18 CD ARG A 2 11.691 9.466 4.047 1.00 25.80 C ATOM 19 NE ARG A 2 10.306 9.978 4.059 1.00 27.00 N ATOM 20 CZ ARG A 2 10.012 11.254 4.298 1.00 24.43 C ATOM 21 NH1 ARG A 2 11.005 12.119 4.493 1.00 22.16 N ATOM 22 NH2 ARG A 2 8.744 11.667 4.330 1.00 21.93 N ATOM 23 HE ARG A 2 9.528 9.314 3.873 1.00 0.00 H ATOM 24 HH12 ARG A 2 10.793 13.120 4.681 1.00 0.00 H ATOM 25 HH11 ARG A 2 11.992 11.794 4.457 1.00 0.00 H ATOM 26 HH22 ARG A 2 8.527 12.667 4.518 1.00 0.00 H ATOM 27 HH21 ARG A 2 7.972 10.989 4.167 1.00 0.00 H ATOM 28 H ARG A 2 15.083 5.495 4.594 1.00 0.00 H ATOM 29 N LEU A 3 11.460 5.810 6.240 1.00 16.62 N ATOM 30 CA LEU A 3 10.515 4.712 6.578 1.00 16.86 C ATOM 31 C LEU A 3 9.102 5.235 6.452 1.00 16.50 C ATOM 32 O LEU A 3 8.846 6.426 6.682 1.00 17.49 O ATOM 33 CB LEU A 3 10.705 4.200 8.029 1.00 15.60 C ATOM 34 CG LEU A 3 12.108 3.863 8.581 1.00 18.52 C ATOM 35 CD1 LEU A 3 12.012 3.498 10.057 1.00 21.92 C ATOM 36 CD2 LEU A 3 12.629 2.676 7.864 1.00 17.31 C ATOM 37 H LEU A 3 11.349 6.736 6.700 1.00 0.00 H ATOM 38 N LEU A 4 8.204 4.341 6.085 1.00 16.04 N ATOM 39 CA LEU A 4 6.763 4.590 6.054 1.00 15.42 C ATOM 40 C LEU A 4 6.124 3.522 6.927 1.00 16.61 C ATOM 41 O LEU A 4 6.290 2.302 6.664 1.00 16.54 O ATOM 42 CB LEU A 4 6.229 4.540 4.602 1.00 16.62 C ATOM 43 CG LEU A 4 4.727 4.835 4.317 1.00 15.87 C ATOM 44 CD1 LEU A 4 4.413 6.316 4.579 1.00 18.77 C ATOM 45 CD2 LEU A 4 4.357 4.442 2.828 1.00 18.56 C ATOM 46 H LEU A 4 8.542 3.400 5.800 1.00 0.00 H ATOM 47 N TYR A 5 5.459 3.979 7.996 1.00 17.34 N ATOM 48 CA TYR A 5 4.757 3.082 8.968 1.00 18.56 C ATOM 49 C TYR A 5 3.300 2.924 8.579 1.00 18.40 C ATOM 50 O TYR A 5 2.521 3.911 8.649 1.00 20.40 O ATOM 51 CB TYR A 5 4.790 3.678 10.366 1.00 16.84 C ATOM 52 CG TYR A 5 6.155 3.827 11.023 1.00 19.47 C ATOM 53 CD1 TYR A 5 7.314 3.221 10.500 1.00 16.29 C ATOM 54 CD2 TYR A 5 6.274 4.558 12.197 1.00 20.54 C ATOM 55 CE1 TYR A 5 8.559 3.402 11.139 1.00 17.37 C ATOM 56 CE2 TYR A 5 7.505 4.722 12.846 1.00 20.05 C ATOM 57 CZ TYR A 5 8.628 4.117 12.322 1.00 19.80 C ATOM 58 OH TYR A 5 9.818 4.303 12.975 1.00 17.97 O ATOM 59 HH TYR A 5 10.032 5.269 13.000 1.00 0.00 H ATOM 60 H TYR A 5 5.429 5.006 8.159 1.00 0.00 H ATOM 61 N LEU A 6 2.918 1.720 8.167 1.00 19.38 N ATOM 62 CA LEU A 6 1.512 1.441 7.842 1.00 20.97 C ATOM 63 C LEU A 6 0.920 0.449 8.804 1.00 22.38 C ATOM 64 O LEU A 6 1.316 -0.724 8.797 1.00 23.35 O ATOM 65 CB LEU A 6 1.343 0.927 6.398 1.00 20.64 C ATOM 66 CG LEU A 6 1.926 1.830 5.293 1.00 21.55 C ATOM 67 CD1 LEU A 6 1.633 1.219 3.913 1.00 22.65 C ATOM 68 CD2 LEU A 6 1.474 3.283 5.343 1.00 20.95 C ATOM 69 H LEU A 6 3.625 0.963 8.073 1.00 0.00 H ATOM 70 N HIS A 7 -0.029 0.909 9.620 1.00 23.53 N ATOM 71 CA HIS A 7 -0.724 0.013 10.532 1.00 23.92 C ATOM 72 C HIS A 7 -1.781 -0.739 9.740 1.00 25.03 C ATOM 73 O HIS A 7 -2.775 -0.144 9.292 1.00 26.09 O ATOM 74 CB HIS A 7 -1.336 0.799 11.674 1.00 23.72 C ATOM 75 CG HIS A 7 -1.839 -0.056 12.789 1.00 24.09 C ATOM 76 ND1 HIS A 7 -2.487 0.472 13.885 1.00 25.10 N ATOM 77 CD2 HIS A 7 -1.779 -1.394 12.986 1.00 24.02 C ATOM 78 CE1 HIS A 7 -2.800 -0.510 14.711 1.00 25.74 C ATOM 79 NE2 HIS A 7 -2.402 -1.650 14.178 1.00 24.11 N ATOM 80 H HIS A 7 -0.275 1.919 9.604 1.00 0.00 H ATOM 81 N ALA A 8 -1.556 -2.027 9.543 1.00 24.25 N ATOM 82 CA ALA A 8 -2.401 -2.848 8.708 1.00 25.90 C ATOM 83 C ALA A 8 -3.318 -3.758 9.521 1.00 27.58 C ATOM 84 O ALA A 8 -2.947 -4.202 10.606 1.00 26.88 O ATOM 85 CB ALA A 8 -1.573 -3.670 7.769 1.00 25.15 C ATOM 86 H ALA A 8 -0.737 -2.467 10.009 1.00 0.00 H ATOM 87 N ASP A 9 -4.531 -3.988 9.008 1.00 28.49 N ATOM 88 CA ASP A 9 -5.385 -5.070 9.483 1.00 29.99 C ATOM 89 C ASP A 9 -4.881 -6.431 9.007 1.00 29.63 C ATOM 90 O ASP A 9 -5.122 -7.439 9.661 1.00 29.65 O ATOM 91 CB ASP A 9 -6.821 -4.909 8.973 1.00 30.91 C ATOM 92 CG ASP A 9 -7.568 -3.821 9.687 1.00 33.43 C ATOM 93 OD1 ASP A 9 -7.503 -3.757 10.930 1.00 35.20 O ATOM 94 OD2 ASP A 9 -8.233 -3.036 8.989 1.00 39.18 O ATOM 95 H ASP A 9 -4.877 -3.374 8.244 1.00 0.00 H ATOM 96 N ARG A 10 -4.228 -6.449 7.851 1.00 29.09 N ATOM 97 CA ARG A 10 -3.638 -7.641 7.258 1.00 28.99 C ATOM 98 C ARG A 10 -2.611 -7.201 6.221 1.00 28.52 C ATOM 99 O ARG A 10 -2.701 -6.090 5.683 1.00 27.69 O ATOM 100 CB ARG A 10 -4.696 -8.511 6.558 1.00 30.60 C ATOM 101 CG ARG A 10 -5.629 -7.730 5.626 1.00 34.60 C ATOM 102 CD ARG A 10 -6.400 -8.589 4.585 1.00 41.31 C ATOM 103 NE ARG A 10 -6.766 -7.788 3.399 1.00 44.23 N ATOM 104 CZ ARG A 10 -5.924 -7.457 2.406 1.00 44.54 C ATOM 105 NH1 ARG A 10 -4.656 -7.853 2.420 1.00 47.67 N ATOM 106 NH2 ARG A 10 -6.343 -6.728 1.392 1.00 43.73 N ATOM 107 HE ARG A 10 -7.749 -7.456 3.327 1.00 0.00 H ATOM 108 HH12 ARG A 10 -4.019 -7.587 1.642 1.00 0.00 H ATOM 109 HH11 ARG A 10 -4.300 -8.429 3.209 1.00 0.00 H ATOM 110 HH22 ARG A 10 -5.686 -6.475 0.627 1.00 0.00 H ATOM 111 HH21 ARG A 10 -7.331 -6.405 1.357 1.00 0.00 H ATOM 112 H ARG A 10 -4.131 -5.552 7.334 1.00 0.00 H ATOM 113 N PHE A 11 -1.657 -8.078 5.932 1.00 27.24 N ATOM 114 CA PHE A 11 -0.589 -7.808 4.980 1.00 26.62 C ATOM 115 C PHE A 11 -0.102 -9.110 4.429 1.00 26.81 C ATOM 116 O PHE A 11 -0.024 -10.080 5.165 1.00 27.72 O ATOM 117 CB PHE A 11 0.603 -7.090 5.628 1.00 26.02 C ATOM 118 CG PHE A 11 1.716 -6.734 4.643 1.00 24.50 C ATOM 119 CD1 PHE A 11 1.526 -5.747 3.684 1.00 26.79 C ATOM 120 CD2 PHE A 11 2.954 -7.357 4.701 1.00 22.24 C ATOM 121 CE1 PHE A 11 2.565 -5.380 2.775 1.00 23.92 C ATOM 122 CE2 PHE A 11 3.990 -7.012 3.805 1.00 21.54 C ATOM 123 CZ PHE A 11 3.789 -6.011 2.842 1.00 24.22 C ATOM 124 H PHE A 11 -1.673 -9.002 6.409 1.00 0.00 H ATOM 125 N GLU A 12 0.231 -9.131 3.146 1.00 26.86 N ATOM 126 CA GLU A 12 0.849 -10.297 2.523 1.00 27.18 C ATOM 127 C GLU A 12 1.633 -9.838 1.335 1.00 26.86 C ATOM 128 O GLU A 12 1.328 -8.790 0.734 1.00 25.78 O ATOM 129 CB GLU A 12 -0.179 -11.358 2.087 1.00 28.70 C ATOM 130 CG GLU A 12 -1.332 -10.795 1.285 1.00 32.74 C ATOM 131 CD GLU A 12 -2.226 -11.866 0.644 1.00 39.42 C ATOM 132 OE1 GLU A 12 -1.747 -12.636 -0.216 1.00 43.21 O ATOM 133 OE2 GLU A 12 -3.429 -11.915 0.990 1.00 42.25 O ATOM 134 H GLU A 12 0.046 -8.289 2.564 1.00 0.00 H ATOM 135 N TYR A 13 2.665 -10.607 1.022 1.00 25.82 N ATOM 136 CA TYR A 13 3.536 -10.372 -0.076 1.00 25.49 C ATOM 137 C TYR A 13 4.039 -11.710 -0.642 1.00 26.89 C ATOM 138 O TYR A 13 4.026 -12.757 0.021 1.00 25.52 O ATOM 139 CB TYR A 13 4.739 -9.507 0.360 1.00 26.64 C ATOM 140 CG TYR A 13 5.743 -10.280 1.210 1.00 23.67 C ATOM 141 CD1 TYR A 13 5.652 -10.260 2.620 1.00 24.98 C ATOM 142 CD2 TYR A 13 6.756 -11.039 0.609 1.00 24.14 C ATOM 143 CE1 TYR A 13 6.548 -10.973 3.411 1.00 25.36 C ATOM 144 CE2 TYR A 13 7.652 -11.785 1.403 1.00 26.08 C ATOM 145 CZ TYR A 13 7.545 -11.730 2.795 1.00 24.92 C ATOM 146 OH TYR A 13 8.423 -12.456 3.573 1.00 23.04 O ATOM 147 HH TYR A 13 8.214 -12.309 4.529 1.00 0.00 H ATOM 148 H TYR A 13 2.850 -11.438 1.619 1.00 0.00 H ATOM 149 N LYS A 14 4.519 -11.642 -1.868 1.00 26.80 N ATOM 150 CA LYS A 14 5.123 -12.762 -2.529 1.00 29.21 C ATOM 151 C LYS A 14 6.162 -12.178 -3.461 1.00 28.71 C ATOM 152 O LYS A 14 5.865 -11.241 -4.201 1.00 28.68 O ATOM 153 CB LYS A 14 4.053 -13.492 -3.353 1.00 29.63 C ATOM 154 CG LYS A 14 4.605 -14.589 -4.273 1.00 35.07 C ATOM 155 CD LYS A 14 3.502 -15.261 -5.128 1.00 41.18 C ATOM 156 CE LYS A 14 2.486 -16.035 -4.251 1.00 44.75 C ATOM 157 NZ LYS A 14 1.569 -15.139 -3.438 1.00 45.20 N ATOM 158 HZ1 LYS A 14 2.140 -14.548 -2.801 1.00 0.00 H ATOM 159 HZ2 LYS A 14 1.022 -14.531 -4.080 1.00 0.00 H ATOM 160 HZ3 LYS A 14 0.919 -15.727 -2.878 1.00 0.00 H ATOM 161 H LYS A 14 4.457 -10.737 -2.377 1.00 0.00 H ATOM 162 N THR A 15 7.371 -12.727 -3.411 1.00 28.81 N ATOM 163 CA THR A 15 8.428 -12.367 -4.333 1.00 29.01 C ATOM 164 C THR A 15 8.010 -12.911 -5.679 1.00 30.43 C ATOM 165 O THR A 15 7.283 -13.909 -5.744 1.00 30.45 O ATOM 166 CB THR A 15 9.788 -12.976 -3.947 1.00 29.25 C ATOM 167 OG1 THR A 15 9.655 -14.389 -3.790 1.00 28.94 O ATOM 168 CG2 THR A 15 10.318 -12.388 -2.644 1.00 28.64 C ATOM 169 HG1 THR A 15 9.346 -14.787 -4.642 1.00 0.00 H ATOM 170 H THR A 15 7.566 -13.443 -2.682 1.00 0.00 H ATOM 171 N VAL A 16 8.439 -12.224 -6.738 1.00 30.70 N ATOM 172 CA VAL A 16 8.166 -12.619 -8.117 1.00 30.35 C ATOM 173 C VAL A 16 9.539 -12.696 -8.798 1.00 30.86 C ATOM 174 O VAL A 16 10.383 -13.549 -8.427 1.00 31.76 O ATOM 175 CB VAL A 16 7.197 -11.638 -8.816 1.00 29.89 C ATOM 176 CG1 VAL A 16 6.754 -12.185 -10.188 1.00 30.80 C ATOM 177 CG2 VAL A 16 5.973 -11.391 -7.946 1.00 31.18 C ATOM 178 H VAL A 16 8.997 -11.362 -6.573 1.00 0.00 H ATOM 179 N LYS A 17 9.814 -11.814 -9.750 1.00 30.01 N ATOM 180 CA LYS A 17 11.100 -11.871 -10.412 1.00 30.27 C ATOM 181 C LYS A 17 12.211 -11.295 -9.547 1.00 31.09 C ATOM 182 O LYS A 17 11.977 -10.348 -8.790 1.00 29.02 O ATOM 183 CB LYS A 17 11.053 -11.149 -11.753 1.00 31.00 C ATOM 184 CG LYS A 17 10.096 -11.821 -12.785 1.00 32.90 C ATOM 185 CD LYS A 17 9.844 -10.889 -13.970 1.00 40.11 C ATOM 186 CE LYS A 17 10.665 -11.297 -15.177 1.00 43.76 C ATOM 187 NZ LYS A 17 9.852 -12.248 -15.972 1.00 47.47 N ATOM 188 HZ1 LYS A 17 9.625 -13.079 -15.390 1.00 0.00 H ATOM 189 HZ2 LYS A 17 8.972 -11.783 -16.272 1.00 0.00 H ATOM 190 HZ3 LYS A 17 10.391 -12.547 -16.810 1.00 0.00 H ATOM 191 H LYS A 17 9.115 -11.092 -10.017 1.00 0.00 H ATOM 192 N PRO A 18 13.422 -11.872 -9.654 1.00 31.32 N ATOM 193 CA PRO A 18 14.576 -11.222 -9.028 1.00 32.19 C ATOM 194 C PRO A 18 14.744 -9.793 -9.591 1.00 32.80 C ATOM 195 O PRO A 18 14.620 -9.581 -10.807 1.00 32.93 O ATOM 196 CB PRO A 18 15.752 -12.120 -9.434 1.00 31.56 C ATOM 197 CG PRO A 18 15.301 -12.799 -10.710 1.00 31.30 C ATOM 198 CD PRO A 18 13.821 -12.984 -10.546 1.00 31.62 C ATOM 199 N ALA A 19 14.997 -8.834 -8.704 1.00 32.94 N ATOM 200 CA ALA A 19 15.138 -7.425 -9.072 1.00 33.47 C ATOM 201 C ALA A 19 16.597 -7.041 -9.137 1.00 34.17 C ATOM 202 O ALA A 19 16.940 -5.948 -9.575 1.00 34.43 O ATOM 203 CB ALA A 19 14.410 -6.523 -8.049 1.00 33.14 C ATOM 204 H ALA A 19 15.099 -9.098 -7.703 1.00 0.00 H ATOM 205 N LEU A 20 17.452 -7.923 -8.634 1.00 34.97 N ATOM 206 CA LEU A 20 18.906 -7.746 -8.673 1.00 36.26 C ATOM 207 C LEU A 20 19.457 -8.979 -9.383 1.00 37.11 C ATOM 208 O LEU A 20 18.848 -10.057 -9.339 1.00 36.57 O ATOM 209 CB LEU A 20 19.515 -7.675 -7.248 1.00 36.15 C ATOM 210 CG LEU A 20 19.205 -6.524 -6.268 1.00 36.62 C ATOM 211 CD1 LEU A 20 19.765 -6.798 -4.869 1.00 36.36 C ATOM 212 CD2 LEU A 20 19.757 -5.231 -6.787 1.00 37.47 C ATOM 213 H LEU A 20 17.071 -8.783 -8.190 1.00 0.00 H ATOM 214 N LYS A 21 20.608 -8.820 -10.007 1.00 38.53 N ATOM 215 CA LYS A 21 21.298 -9.948 -10.645 1.00 40.73 C ATOM 216 C LYS A 21 21.235 -11.228 -9.793 1.00 40.88 C ATOM 217 O LYS A 21 20.735 -12.273 -10.252 1.00 41.36 O ATOM 218 CB LYS A 21 22.749 -9.570 -10.931 1.00 41.29 C ATOM 219 CG LYS A 21 23.476 -10.607 -11.778 1.00 44.66 C ATOM 220 CD LYS A 21 23.355 -10.299 -13.269 1.00 50.58 C ATOM 221 CE LYS A 21 23.866 -11.478 -14.122 1.00 53.39 C ATOM 222 NZ LYS A 21 25.205 -11.978 -13.657 1.00 54.79 N ATOM 223 HZ1 LYS A 21 25.902 -11.208 -13.719 1.00 0.00 H ATOM 224 HZ2 LYS A 21 25.130 -12.301 -12.671 1.00 0.00 H ATOM 225 HZ3 LYS A 21 25.507 -12.770 -14.260 1.00 0.00 H ATOM 226 H LYS A 21 21.037 -7.873 -10.048 1.00 0.00 H ATOM 227 N ASN A 22 21.709 -11.127 -8.548 1.00 40.68 N ATOM 228 CA ASN A 22 21.603 -12.214 -7.574 1.00 40.18 C ATOM 229 C ASN A 22 21.053 -11.744 -6.196 1.00 38.75 C ATOM 230 O ASN A 22 21.825 -11.272 -5.346 1.00 38.37 O ATOM 231 CB ASN A 22 22.979 -12.863 -7.385 1.00 41.40 C ATOM 232 CG ASN A 22 23.594 -13.344 -8.695 1.00 43.56 C ATOM 233 OD1 ASN A 22 23.171 -14.366 -9.262 1.00 46.23 O ATOM 234 ND2 ASN A 22 24.613 -12.627 -9.167 1.00 44.66 N ATOM 235 HD22 ASN A 22 24.932 -11.778 -8.657 1.00 0.00 H ATOM 236 HD21 ASN A 22 25.089 -12.916 -10.045 1.00 0.00 H ATOM 237 H ASN A 22 22.171 -10.241 -8.260 1.00 0.00 H ATOM 238 N PRO A 23 19.724 -11.864 -5.974 1.00 37.11 N ATOM 239 CA PRO A 23 19.162 -11.465 -4.679 1.00 35.63 C ATOM 240 C PRO A 23 19.827 -12.187 -3.498 1.00 35.13 C ATOM 241 O PRO A 23 19.981 -13.421 -3.536 1.00 34.80 O ATOM 242 CB PRO A 23 17.701 -11.879 -4.784 1.00 35.26 C ATOM 243 CG PRO A 23 17.415 -11.900 -6.252 1.00 36.02 C ATOM 244 CD PRO A 23 18.683 -12.324 -6.911 1.00 36.79 C ATOM 245 N PRO A 24 20.230 -11.425 -2.459 1.00 33.53 N ATOM 246 CA PRO A 24 20.948 -12.001 -1.326 1.00 33.11 C ATOM 247 C PRO A 24 20.047 -12.805 -0.361 1.00 32.33 C ATOM 248 O PRO A 24 20.563 -13.502 0.507 1.00 32.98 O ATOM 249 CB PRO A 24 21.570 -10.768 -0.648 1.00 33.11 C ATOM 250 CG PRO A 24 20.586 -9.660 -0.921 1.00 32.68 C ATOM 251 CD PRO A 24 20.106 -9.955 -2.343 1.00 33.99 C ATOM 252 N ASP A 25 18.729 -12.710 -0.505 1.00 30.57 N ATOM 253 CA ASP A 25 17.811 -13.553 0.259 1.00 30.85 C ATOM 254 C ASP A 25 17.065 -14.475 -0.705 1.00 31.26 C ATOM 255 O ASP A 25 16.864 -14.107 -1.861 1.00 30.97 O ATOM 256 CB ASP A 25 16.800 -12.710 1.049 1.00 30.15 C ATOM 257 CG ASP A 25 17.464 -11.694 1.968 1.00 30.50 C ATOM 258 OD1 ASP A 25 18.374 -12.072 2.743 1.00 27.29 O ATOM 259 OD2 ASP A 25 17.055 -10.509 1.951 1.00 28.88 O ATOM 260 H ASP A 25 18.341 -12.019 -1.178 1.00 0.00 H ATOM 261 N PRO A 26 16.656 -15.671 -0.240 1.00 31.95 N ATOM 262 CA PRO A 26 15.839 -16.572 -1.058 1.00 31.98 C ATOM 263 C PRO A 26 14.397 -16.046 -1.249 1.00 31.97 C ATOM 264 O PRO A 26 13.970 -15.122 -0.515 1.00 31.92 O ATOM 265 CB PRO A 26 15.835 -17.891 -0.269 1.00 32.83 C ATOM 266 CG PRO A 26 16.254 -17.575 1.095 1.00 33.14 C ATOM 267 CD PRO A 26 16.779 -16.147 1.153 1.00 32.85 C ATOM 268 N PRO A 27 13.670 -16.586 -2.259 1.00 30.98 N ATOM 269 CA PRO A 27 12.316 -16.107 -2.560 1.00 30.34 C ATOM 270 C PRO A 27 11.339 -16.553 -1.483 1.00 30.28 C ATOM 271 O PRO A 27 11.642 -17.471 -0.712 1.00 29.08 O ATOM 272 CB PRO A 27 11.995 -16.769 -3.916 1.00 30.30 C ATOM 273 CG PRO A 27 12.882 -18.001 -3.939 1.00 31.57 C ATOM 274 CD PRO A 27 14.138 -17.600 -3.232 1.00 31.02 C ATOM 275 N GLY A 28 10.177 -15.920 -1.410 1.00 30.27 N ATOM 276 CA GLY A 28 9.201 -16.403 -0.471 1.00 29.98 C ATOM 277 C GLY A 28 7.914 -15.664 -0.405 1.00 29.70 C ATOM 278 O GLY A 28 7.651 -14.766 -1.168 1.00 30.01 O ATOM 279 H GLY A 28 9.977 -15.098 -2.014 1.00 0.00 H ATOM 280 N GLU A 29 7.097 -16.053 0.540 1.00 29.59 N ATOM 281 CA GLU A 29 5.839 -15.391 0.719 1.00 30.65 C ATOM 282 C GLU A 29 5.422 -15.523 2.167 1.00 30.43 C ATOM 283 O GLU A 29 5.762 -16.509 2.832 1.00 30.14 O ATOM 284 CB GLU A 29 4.792 -15.992 -0.230 1.00 31.51 C ATOM 285 CG GLU A 29 4.478 -17.453 -0.046 1.00 35.22 C ATOM 286 CD GLU A 29 3.076 -17.760 -0.585 1.00 42.95 C ATOM 287 OE1 GLU A 29 2.097 -17.573 0.190 1.00 45.14 O ATOM 288 OE2 GLU A 29 2.950 -18.155 -1.782 1.00 42.94 O ATOM 289 H GLU A 29 7.361 -16.844 1.162 1.00 0.00 H ATOM 290 N ALA A 30 4.709 -14.528 2.663 1.00 29.82 N ATOM 291 CA ALA A 30 4.148 -14.611 3.984 1.00 30.01 C ATOM 292 C ALA A 30 2.921 -13.758 4.048 1.00 29.78 C ATOM 293 O ALA A 30 2.755 -12.845 3.237 1.00 30.27 O ATOM 294 CB ALA A 30 5.176 -14.174 5.046 1.00 30.40 C ATOM 295 H ALA A 30 4.551 -13.674 2.091 1.00 0.00 H ATOM 296 N SER A 31 2.058 -14.032 5.017 1.00 29.99 N ATOM 297 CA SER A 31 0.908 -13.175 5.237 1.00 30.28 C ATOM 298 C SER A 31 0.708 -13.023 6.718 1.00 29.35 C ATOM 299 O SER A 31 1.110 -13.902 7.485 1.00 29.21 O ATOM 300 CB SER A 31 -0.353 -13.744 4.549 1.00 31.21 C ATOM 301 OG SER A 31 -0.975 -14.761 5.307 1.00 35.62 O ATOM 302 HG SER A 31 -1.247 -14.396 6.186 1.00 0.00 H ATOM 303 H SER A 31 2.206 -14.865 5.622 1.00 0.00 H ATOM 304 N PHE A 32 0.068 -11.930 7.115 1.00 28.03 N ATOM 305 CA PHE A 32 -0.074 -11.561 8.520 1.00 27.80 C ATOM 306 C PHE A 32 -1.422 -10.979 8.782 1.00 27.68 C ATOM 307 O PHE A 32 -2.105 -10.538 7.848 1.00 28.31 O ATOM 308 CB PHE A 32 1.013 -10.538 8.886 1.00 26.88 C ATOM 309 CG PHE A 32 2.369 -10.963 8.447 1.00 26.71 C ATOM 310 CD1 PHE A 32 2.792 -10.725 7.135 1.00 26.17 C ATOM 311 CD2 PHE A 32 3.212 -11.685 9.313 1.00 24.17 C ATOM 312 CE1 PHE A 32 4.060 -11.148 6.684 1.00 25.93 C ATOM 313 CE2 PHE A 32 4.485 -12.123 8.867 1.00 24.65 C ATOM 314 CZ PHE A 32 4.907 -11.852 7.563 1.00 23.38 C ATOM 315 H PHE A 32 -0.351 -11.309 6.393 1.00 0.00 H ATOM 316 N GLY A 33 -1.795 -10.944 10.060 1.00 28.11 N ATOM 317 CA GLY A 33 -2.971 -10.199 10.514 1.00 27.42 C ATOM 318 C GLY A 33 -2.522 -8.808 10.910 1.00 26.86 C ATOM 319 O GLY A 33 -1.694 -8.221 10.202 1.00 27.49 O ATOM 320 H GLY A 33 -1.230 -11.465 10.761 1.00 0.00 H ATOM 321 N GLU A 34 -3.029 -8.275 12.028 1.00 25.88 N ATOM 322 CA GLU A 34 -2.704 -6.906 12.430 1.00 27.25 C ATOM 323 C GLU A 34 -1.207 -6.742 12.653 1.00 27.14 C ATOM 324 O GLU A 34 -0.630 -7.411 13.522 1.00 27.94 O ATOM 325 CB GLU A 34 -3.459 -6.492 13.698 1.00 27.74 C ATOM 326 CG GLU A 34 -3.193 -5.013 14.096 1.00 31.43 C ATOM 327 CD GLU A 34 -3.862 -4.558 15.412 1.00 38.39 C ATOM 328 OE1 GLU A 34 -4.650 -5.344 16.000 1.00 43.16 O ATOM 329 OE2 GLU A 34 -3.626 -3.405 15.858 1.00 37.52 O ATOM 330 H GLU A 34 -3.665 -8.844 12.622 1.00 0.00 H ATOM 331 N ALA A 35 -0.583 -5.828 11.902 1.00 25.87 N ATOM 332 CA ALA A 35 0.878 -5.596 12.012 1.00 24.85 C ATOM 333 C ALA A 35 1.183 -4.157 11.688 1.00 25.10 C ATOM 334 O ALA A 35 0.368 -3.493 10.996 1.00 25.22 O ATOM 335 CB ALA A 35 1.593 -6.487 11.090 1.00 23.57 C ATOM 336 H ALA A 35 -1.136 -5.266 11.224 1.00 0.00 H ATOM 337 N LEU A 36 2.314 -3.668 12.197 1.00 24.13 N ATOM 338 CA LEU A 36 2.916 -2.432 11.677 1.00 23.67 C ATOM 339 C LEU A 36 3.816 -2.817 10.494 1.00 23.04 C ATOM 340 O LEU A 36 4.806 -3.559 10.665 1.00 22.98 O ATOM 341 CB LEU A 36 3.720 -1.689 12.752 1.00 22.62 C ATOM 342 CG LEU A 36 4.447 -0.427 12.282 1.00 23.46 C ATOM 343 CD1 LEU A 36 3.431 0.599 11.876 1.00 24.61 C ATOM 344 CD2 LEU A 36 5.332 0.122 13.355 1.00 22.98 C ATOM 345 H LEU A 36 2.780 -4.172 12.978 1.00 0.00 H ATOM 346 N VAL A 37 3.442 -2.365 9.290 1.00 21.37 N ATOM 347 CA VAL A 37 4.244 -2.650 8.084 1.00 20.91 C ATOM 348 C VAL A 37 5.183 -1.460 7.837 1.00 20.32 C ATOM 349 O VAL A 37 4.721 -0.343 7.620 1.00 21.26 O ATOM 350 CB VAL A 37 3.357 -3.026 6.830 1.00 20.45 C ATOM 351 CG1 VAL A 37 4.227 -3.516 5.659 1.00 19.55 C ATOM 352 CG2 VAL A 37 2.318 -4.109 7.216 1.00 22.19 C ATOM 353 H VAL A 37 2.571 -1.803 9.203 1.00 0.00 H ATOM 354 N VAL A 38 6.493 -1.700 7.936 1.00 20.68 N ATOM 355 CA VAL A 38 7.547 -0.653 7.868 1.00 18.48 C ATOM 356 C VAL A 38 8.252 -0.790 6.500 1.00 18.43 C ATOM 357 O VAL A 38 9.159 -1.652 6.280 1.00 16.72 O ATOM 358 CB VAL A 38 8.563 -0.729 9.099 1.00 19.09 C ATOM 359 CG1 VAL A 38 9.604 0.427 9.051 1.00 16.45 C ATOM 360 CG2 VAL A 38 7.805 -0.779 10.451 1.00 16.56 C ATOM 361 H VAL A 38 6.797 -2.686 8.070 1.00 0.00 H ATOM 362 N PHE A 39 7.772 0.017 5.548 1.00 17.73 N ATOM 363 CA PHE A 39 8.419 0.148 4.247 1.00 17.97 C ATOM 364 C PHE A 39 9.725 0.862 4.494 1.00 17.38 C ATOM 365 O PHE A 39 9.735 2.018 4.955 1.00 17.36 O ATOM 366 CB PHE A 39 7.505 0.919 3.273 1.00 18.01 C ATOM 367 CG PHE A 39 6.355 0.087 2.751 1.00 21.61 C ATOM 368 CD1 PHE A 39 6.271 -0.235 1.409 1.00 23.78 C ATOM 369 CD2 PHE A 39 5.362 -0.376 3.598 1.00 25.91 C ATOM 370 CE1 PHE A 39 5.196 -1.024 0.894 1.00 25.58 C ATOM 371 CE2 PHE A 39 4.304 -1.179 3.092 1.00 27.85 C ATOM 372 CZ PHE A 39 4.242 -1.511 1.747 1.00 25.58 C ATOM 373 H PHE A 39 6.911 0.568 5.741 1.00 0.00 H ATOM 374 N THR A 40 10.839 0.189 4.184 1.00 16.45 N ATOM 375 CA THR A 40 12.167 0.660 4.645 1.00 17.08 C ATOM 376 C THR A 40 13.118 0.936 3.473 1.00 16.79 C ATOM 377 O THR A 40 13.449 0.001 2.744 1.00 17.61 O ATOM 378 CB THR A 40 12.812 -0.405 5.552 1.00 15.94 C ATOM 379 OG1 THR A 40 11.933 -0.698 6.626 1.00 18.83 O ATOM 380 CG2 THR A 40 14.156 0.072 6.124 1.00 20.88 C ATOM 381 HG1 THR A 40 11.077 -1.042 6.266 1.00 0.00 H ATOM 382 H THR A 40 10.772 -0.677 3.612 1.00 0.00 H ATOM 383 N THR A 41 13.507 2.201 3.271 1.00 16.00 N ATOM 384 CA THR A 41 14.433 2.568 2.223 1.00 16.23 C ATOM 385 C THR A 41 15.752 2.938 2.902 1.00 17.68 C ATOM 386 O THR A 41 15.849 3.944 3.613 1.00 17.47 O ATOM 387 CB THR A 41 13.930 3.796 1.384 1.00 16.27 C ATOM 388 OG1 THR A 41 12.709 3.474 0.707 1.00 15.89 O ATOM 389 CG2 THR A 41 14.956 4.163 0.317 1.00 17.59 C ATOM 390 HG1 THR A 41 12.863 2.709 0.098 1.00 0.00 H ATOM 391 H THR A 41 13.130 2.946 3.890 1.00 0.00 H ATOM 392 N VAL A 42 16.776 2.114 2.675 1.00 18.00 N ATOM 393 CA VAL A 42 18.118 2.405 3.222 1.00 18.26 C ATOM 394 C VAL A 42 18.801 3.461 2.350 1.00 18.86 C ATOM 395 O VAL A 42 18.787 3.366 1.126 1.00 18.19 O ATOM 396 CB VAL A 42 18.975 1.130 3.317 1.00 18.12 C ATOM 397 CG1 VAL A 42 20.327 1.429 4.012 1.00 19.97 C ATOM 398 CG2 VAL A 42 18.201 0.032 4.064 1.00 16.93 C ATOM 399 H VAL A 42 16.628 1.256 2.106 1.00 0.00 H ATOM 400 N GLU A 43 19.368 4.467 3.000 1.00 19.87 N ATOM 401 CA GLU A 43 19.954 5.612 2.305 1.00 21.09 C ATOM 402 C GLU A 43 21.464 5.626 2.451 1.00 22.10 C ATOM 403 O GLU A 43 22.001 5.050 3.399 1.00 21.72 O ATOM 404 CB GLU A 43 19.373 6.908 2.852 1.00 20.14 C ATOM 405 CG GLU A 43 17.868 7.021 2.567 1.00 18.84 C ATOM 406 CD GLU A 43 17.281 8.330 3.058 1.00 20.49 C ATOM 407 OE1 GLU A 43 17.504 8.695 4.228 1.00 19.97 O ATOM 408 OE2 GLU A 43 16.589 8.970 2.278 1.00 21.59 O ATOM 409 H GLU A 43 19.397 4.441 4.039 1.00 0.00 H ATOM 410 N ASP A 44 22.135 6.273 1.505 1.00 24.89 N ATOM 411 CA ASP A 44 23.606 6.323 1.503 1.00 27.47 C ATOM 412 C ASP A 44 24.032 6.946 2.822 1.00 27.44 C ATOM 413 O ASP A 44 23.451 7.943 3.260 1.00 28.39 O ATOM 414 CB ASP A 44 24.118 7.197 0.368 1.00 29.73 C ATOM 415 CG ASP A 44 25.670 7.343 0.399 1.00 36.35 C ATOM 416 OD1 ASP A 44 26.362 6.341 0.073 1.00 43.42 O ATOM 417 OD2 ASP A 44 26.186 8.421 0.804 1.00 42.99 O ATOM 418 H ASP A 44 21.609 6.755 0.748 1.00 0.00 H ATOM 419 N GLY A 45 25.012 6.371 3.493 1.00 27.79 N ATOM 420 CA GLY A 45 25.405 6.976 4.776 1.00 28.72 C ATOM 421 C GLY A 45 24.638 6.522 6.020 1.00 27.25 C ATOM 422 O GLY A 45 24.917 6.981 7.152 1.00 28.08 O ATOM 423 H GLY A 45 25.489 5.522 3.129 1.00 0.00 H ATOM 424 N ASP A 46 23.675 5.620 5.836 1.00 26.10 N ATOM 425 CA ASP A 46 23.088 4.932 6.984 1.00 24.16 C ATOM 426 C ASP A 46 24.171 4.042 7.547 1.00 23.67 C ATOM 427 O ASP A 46 24.857 3.350 6.801 1.00 24.41 O ATOM 428 CB ASP A 46 21.906 4.038 6.564 1.00 22.40 C ATOM 429 CG ASP A 46 20.664 4.838 6.205 1.00 19.93 C ATOM 430 OD1 ASP A 46 20.678 6.098 6.356 1.00 17.57 O ATOM 431 OD2 ASP A 46 19.650 4.217 5.768 1.00 19.93 O ATOM 432 H ASP A 46 23.341 5.405 4.875 1.00 0.00 H ATOM 433 N GLY A 47 24.301 4.044 8.867 1.00 24.25 N ATOM 434 CA GLY A 47 25.224 3.173 9.571 1.00 23.16 C ATOM 435 C GLY A 47 24.540 2.588 10.801 1.00 25.55 C ATOM 436 O GLY A 47 23.288 2.662 10.965 1.00 23.52 O ATOM 437 H GLY A 47 23.715 4.699 9.423 1.00 0.00 H ATOM 438 N PRO A 48 25.337 1.935 11.663 1.00 26.27 N ATOM 439 CA PRO A 48 24.793 1.281 12.865 1.00 26.47 C ATOM 440 C PRO A 48 24.002 2.239 13.777 1.00 25.87 C ATOM 441 O PRO A 48 22.980 1.869 14.336 1.00 25.68 O ATOM 442 CB PRO A 48 26.060 0.760 13.570 1.00 26.77 C ATOM 443 CG PRO A 48 26.963 0.363 12.394 1.00 28.44 C ATOM 444 CD PRO A 48 26.732 1.518 11.382 1.00 26.96 C ATOM 445 N GLN A 49 24.475 3.466 13.916 1.00 26.14 N ATOM 446 CA GLN A 49 23.772 4.455 14.719 1.00 27.06 C ATOM 447 C GLN A 49 22.358 4.691 14.143 1.00 25.20 C ATOM 448 O GLN A 49 21.356 4.673 14.873 1.00 25.06 O ATOM 449 CB GLN A 49 24.629 5.722 14.720 1.00 28.41 C ATOM 450 CG GLN A 49 24.068 6.911 15.446 1.00 36.25 C ATOM 451 CD GLN A 49 25.157 7.690 16.203 1.00 45.35 C ATOM 452 OE1 GLN A 49 26.107 7.081 16.722 1.00 51.03 O ATOM 453 NE2 GLN A 49 25.014 9.029 16.288 1.00 44.90 N ATOM 454 HE22 GLN A 49 24.201 9.495 15.837 1.00 0.00 H ATOM 455 HE21 GLN A 49 25.717 9.595 16.805 1.00 0.00 H ATOM 456 H GLN A 49 25.364 3.728 13.444 1.00 0.00 H ATOM 457 N THR A 50 22.285 4.939 12.836 1.00 23.55 N ATOM 458 CA THR A 50 21.017 5.142 12.140 1.00 22.54 C ATOM 459 C THR A 50 20.029 3.997 12.411 1.00 21.83 C ATOM 460 O THR A 50 18.848 4.234 12.681 1.00 21.03 O ATOM 461 CB THR A 50 21.259 5.283 10.651 1.00 22.75 C ATOM 462 OG1 THR A 50 22.079 6.453 10.444 1.00 25.07 O ATOM 463 CG2 THR A 50 19.919 5.464 9.866 1.00 22.01 C ATOM 464 HG1 THR A 50 22.938 6.341 10.922 1.00 0.00 H ATOM 465 H THR A 50 23.168 4.990 12.288 1.00 0.00 H ATOM 466 N VAL A 51 20.542 2.772 12.333 1.00 20.83 N ATOM 467 CA VAL A 51 19.747 1.557 12.571 1.00 21.67 C ATOM 468 C VAL A 51 19.177 1.576 13.990 1.00 21.67 C ATOM 469 O VAL A 51 17.964 1.295 14.207 1.00 21.46 O ATOM 470 CB VAL A 51 20.621 0.303 12.345 1.00 22.21 C ATOM 471 CG1 VAL A 51 19.964 -0.947 12.874 1.00 24.00 C ATOM 472 CG2 VAL A 51 20.939 0.122 10.862 1.00 22.33 C ATOM 473 H VAL A 51 21.549 2.669 12.093 1.00 0.00 H ATOM 474 N MET A 52 20.039 1.932 14.946 1.00 20.90 N ATOM 475 CA MET A 52 19.628 1.841 16.331 1.00 22.54 C ATOM 476 C MET A 52 18.523 2.857 16.613 1.00 20.22 C ATOM 477 O MET A 52 17.527 2.530 17.291 1.00 20.66 O ATOM 478 CB MET A 52 20.805 1.989 17.315 1.00 22.30 C ATOM 479 CG MET A 52 20.445 1.427 18.747 1.00 29.82 C ATOM 480 SD MET A 52 19.994 -0.402 18.786 1.00 45.72 S ATOM 481 CE MET A 52 21.335 -1.013 17.712 1.00 35.97 C ATOM 482 H MET A 52 20.991 2.270 14.699 1.00 0.00 H ATOM 483 N TYR A 53 18.662 4.072 16.076 1.00 19.78 N ATOM 484 CA TYR A 53 17.607 5.091 16.243 1.00 19.10 C ATOM 485 C TYR A 53 16.298 4.597 15.634 1.00 18.61 C ATOM 486 O TYR A 53 15.196 4.753 16.212 1.00 17.68 O ATOM 487 CB TYR A 53 17.991 6.393 15.553 1.00 20.23 C ATOM 488 CG TYR A 53 19.130 7.126 16.202 1.00 21.31 C ATOM 489 CD1 TYR A 53 19.164 7.353 17.606 1.00 21.79 C ATOM 490 CD2 TYR A 53 20.153 7.647 15.426 1.00 22.64 C ATOM 491 CE1 TYR A 53 20.231 8.030 18.184 1.00 24.07 C ATOM 492 CE2 TYR A 53 21.214 8.356 16.015 1.00 24.49 C ATOM 493 CZ TYR A 53 21.235 8.545 17.388 1.00 23.66 C ATOM 494 OH TYR A 53 22.314 9.234 17.920 1.00 28.73 O ATOM 495 HH TYR A 53 22.210 9.301 18.902 1.00 0.00 H ATOM 496 H TYR A 53 19.520 4.302 15.536 1.00 0.00 H ATOM 497 N ALA A 54 16.409 3.983 14.444 1.00 18.74 N ATOM 498 CA ALA A 54 15.214 3.535 13.759 1.00 18.45 C ATOM 499 C ALA A 54 14.542 2.405 14.521 1.00 18.37 C ATOM 500 O ALA A 54 13.304 2.436 14.719 1.00 18.90 O ATOM 501 CB ALA A 54 15.503 3.147 12.297 1.00 17.54 C ATOM 502 H ALA A 54 17.346 3.831 14.018 1.00 0.00 H ATOM 503 N ALA A 55 15.330 1.416 14.952 1.00 19.46 N ATOM 504 CA ALA A 55 14.825 0.337 15.837 1.00 20.38 C ATOM 505 C ALA A 55 14.087 0.866 17.092 1.00 21.02 C ATOM 506 O ALA A 55 12.959 0.451 17.377 1.00 20.47 O ATOM 507 CB ALA A 55 15.953 -0.608 16.263 1.00 19.92 C ATOM 508 H ALA A 55 16.328 1.402 14.658 1.00 0.00 H ATOM 509 N SER A 56 14.705 1.781 17.829 1.00 21.72 N ATOM 510 CA SER A 56 14.012 2.371 18.980 1.00 23.28 C ATOM 511 C SER A 56 12.674 3.047 18.629 1.00 22.94 C ATOM 512 O SER A 56 11.684 2.944 19.394 1.00 23.54 O ATOM 513 CB SER A 56 14.899 3.362 19.709 1.00 23.27 C ATOM 514 OG SER A 56 16.079 2.731 20.146 1.00 29.59 O ATOM 515 HG SER A 56 16.569 2.372 19.364 1.00 0.00 H ATOM 516 H SER A 56 15.673 2.078 17.592 1.00 0.00 H ATOM 517 N ASP A 57 12.625 3.747 17.494 1.00 22.05 N ATOM 518 CA ASP A 57 11.409 4.464 17.123 1.00 21.35 C ATOM 519 C ASP A 57 10.296 3.534 16.709 1.00 20.88 C ATOM 520 O ASP A 57 9.120 3.749 17.067 1.00 20.30 O ATOM 521 CB ASP A 57 11.683 5.432 15.967 1.00 21.92 C ATOM 522 CG ASP A 57 10.529 6.379 15.732 1.00 23.25 C ATOM 523 OD1 ASP A 57 10.419 7.373 16.464 1.00 26.18 O ATOM 524 OD2 ASP A 57 9.731 6.142 14.833 1.00 22.16 O ATOM 525 H ASP A 57 13.457 3.782 16.871 1.00 0.00 H ATOM 526 N ILE A 58 10.640 2.526 15.904 1.00 20.38 N ATOM 527 CA ILE A 58 9.665 1.515 15.481 1.00 20.46 C ATOM 528 C ILE A 58 9.062 0.849 16.726 1.00 20.76 C ATOM 529 O ILE A 58 7.843 0.621 16.836 1.00 19.05 O ATOM 530 CB ILE A 58 10.315 0.423 14.551 1.00 20.13 C ATOM 531 CG1 ILE A 58 10.661 1.012 13.171 1.00 19.59 C ATOM 532 CG2 ILE A 58 9.342 -0.746 14.339 1.00 18.75 C ATOM 533 CD1 ILE A 58 11.619 0.176 12.384 1.00 20.53 C ATOM 534 H ILE A 58 11.622 2.456 15.569 1.00 0.00 H ATOM 535 N ALA A 59 9.952 0.505 17.654 1.00 22.30 N ATOM 536 CA ALA A 59 9.545 -0.088 18.938 1.00 22.52 C ATOM 537 C ALA A 59 8.561 0.784 19.709 1.00 23.16 C ATOM 538 O ALA A 59 7.531 0.317 20.201 1.00 23.74 O ATOM 539 CB ALA A 59 10.797 -0.358 19.792 1.00 22.60 C ATOM 540 H ALA A 59 10.963 0.660 17.467 1.00 0.00 H ATOM 541 N SER A 60 8.903 2.057 19.830 1.00 24.66 N ATOM 542 CA SER A 60 8.103 3.020 20.547 1.00 26.02 C ATOM 543 C SER A 60 6.749 3.260 19.845 1.00 26.35 C ATOM 544 O SER A 60 5.722 3.349 20.509 1.00 26.35 O ATOM 545 CB SER A 60 8.938 4.294 20.756 1.00 26.89 C ATOM 546 OG SER A 60 8.103 5.418 20.931 1.00 32.06 O ATOM 547 HG SER A 60 7.537 5.535 20.127 1.00 0.00 H ATOM 548 H SER A 60 9.788 2.377 19.388 1.00 0.00 H ATOM 549 N HIS A 61 6.728 3.309 18.513 1.00 25.51 N ATOM 550 CA HIS A 61 5.478 3.490 17.754 1.00 26.28 C ATOM 551 C HIS A 61 4.603 2.232 17.867 1.00 26.66 C ATOM 552 O HIS A 61 3.372 2.314 18.035 1.00 26.90 O ATOM 553 CB HIS A 61 5.793 3.880 16.287 1.00 25.30 C ATOM 554 CG HIS A 61 4.585 4.121 15.426 1.00 24.95 C ATOM 555 ND1 HIS A 61 3.699 5.159 15.644 1.00 26.22 N ATOM 556 CD2 HIS A 61 4.130 3.468 14.331 1.00 24.33 C ATOM 557 CE1 HIS A 61 2.737 5.116 14.735 1.00 25.50 C ATOM 558 NE2 HIS A 61 2.978 4.106 13.919 1.00 23.98 N ATOM 559 H HIS A 61 7.623 3.216 17.992 1.00 0.00 H ATOM 560 N SER A 62 5.240 1.063 17.820 1.00 26.66 N ATOM 561 CA SER A 62 4.514 -0.195 17.942 1.00 27.18 C ATOM 562 C SER A 62 3.786 -0.295 19.284 1.00 28.15 C ATOM 563 O SER A 62 2.596 -0.693 19.349 1.00 27.44 O ATOM 564 CB SER A 62 5.465 -1.369 17.775 1.00 27.00 C ATOM 565 OG SER A 62 5.972 -1.388 16.442 1.00 27.84 O ATOM 566 HG SER A 62 6.456 -0.543 16.262 1.00 0.00 H ATOM 567 H SER A 62 6.272 1.048 17.694 1.00 0.00 H ATOM 568 N SER A 63 4.506 0.087 20.330 1.00 29.23 N ATOM 569 CA SER A 63 3.961 0.137 21.682 1.00 31.87 C ATOM 570 C SER A 63 2.733 1.075 21.758 1.00 32.75 C ATOM 571 O SER A 63 1.687 0.685 22.290 1.00 33.68 O ATOM 572 CB SER A 63 5.052 0.579 22.647 1.00 31.40 C ATOM 573 OG SER A 63 4.535 0.781 23.952 1.00 36.19 O ATOM 574 HG SER A 63 5.266 1.067 24.555 1.00 0.00 H ATOM 575 H SER A 63 5.498 0.362 20.181 1.00 0.00 H ATOM 576 N ARG A 64 2.855 2.277 21.192 1.00 33.44 N ATOM 577 CA ARG A 64 1.755 3.256 21.130 1.00 34.92 C ATOM 578 C ARG A 64 0.515 2.721 20.365 1.00 35.26 C ATOM 579 O ARG A 64 -0.628 2.990 20.750 1.00 37.11 O ATOM 580 CB ARG A 64 2.321 4.562 20.533 1.00 35.05 C ATOM 581 CG ARG A 64 1.402 5.759 20.394 1.00 39.28 C ATOM 582 CD ARG A 64 2.134 6.883 19.632 1.00 44.89 C ATOM 583 NE ARG A 64 1.618 8.219 19.972 1.00 52.10 N ATOM 584 CZ ARG A 64 1.884 9.370 19.330 1.00 53.38 C ATOM 585 NH1 ARG A 64 2.677 9.412 18.256 1.00 52.92 N ATOM 586 NH2 ARG A 64 1.339 10.506 19.780 1.00 53.33 N ATOM 587 HE ARG A 64 0.982 8.279 20.793 1.00 0.00 H ATOM 588 HH12 ARG A 64 2.863 10.319 17.782 1.00 0.00 H ATOM 589 HH11 ARG A 64 3.109 8.538 17.894 1.00 0.00 H ATOM 590 HH22 ARG A 64 1.535 11.405 19.295 1.00 0.00 H ATOM 591 HH21 ARG A 64 0.719 10.490 20.615 1.00 0.00 H ATOM 592 H ARG A 64 3.771 2.536 20.774 1.00 0.00 H ATOM 593 N LEU A 65 0.724 1.931 19.318 1.00 33.56 N ATOM 594 CA LEU A 65 -0.379 1.331 18.581 1.00 33.11 C ATOM 595 C LEU A 65 -0.854 0.012 19.197 1.00 33.14 C ATOM 596 O LEU A 65 -1.817 -0.594 18.705 1.00 32.69 O ATOM 597 CB LEU A 65 0.021 1.068 17.117 1.00 32.53 C ATOM 598 CG LEU A 65 0.551 2.175 16.205 1.00 31.63 C ATOM 599 CD1 LEU A 65 0.961 1.585 14.885 1.00 32.76 C ATOM 600 CD2 LEU A 65 -0.471 3.242 15.989 1.00 32.94 C ATOM 601 H LEU A 65 1.700 1.736 19.017 1.00 0.00 H ATOM 602 N LYS A 66 -0.164 -0.434 20.248 1.00 32.99 N ATOM 603 CA LYS A 66 -0.365 -1.765 20.855 1.00 34.07 C ATOM 604 C LYS A 66 -0.283 -2.894 19.835 1.00 33.05 C ATOM 605 O LYS A 66 -1.104 -3.803 19.860 1.00 32.84 O ATOM 606 CB LYS A 66 -1.714 -1.875 21.616 1.00 35.19 C ATOM 607 CG LYS A 66 -2.075 -0.694 22.514 1.00 39.66 C ATOM 608 CD LYS A 66 -3.528 -0.837 22.982 1.00 44.80 C ATOM 609 CE LYS A 66 -4.077 0.516 23.469 1.00 49.57 C ATOM 610 NZ LYS A 66 -5.583 0.537 23.669 1.00 51.76 N ATOM 611 HZ1 LYS A 66 -6.054 0.321 22.767 1.00 0.00 H ATOM 612 HZ2 LYS A 66 -5.847 -0.175 24.379 1.00 0.00 H ATOM 613 HZ3 LYS A 66 -5.875 1.480 23.997 1.00 0.00 H ATOM 614 H LYS A 66 0.556 0.191 20.663 1.00 0.00 H ATOM 615 N VAL A 67 0.700 -2.848 18.937 1.00 32.19 N ATOM 616 CA VAL A 67 0.848 -3.912 17.939 1.00 30.64 C ATOM 617 C VAL A 67 1.944 -4.880 18.372 1.00 29.91 C ATOM 618 O VAL A 67 2.904 -4.475 19.030 1.00 29.30 O ATOM 619 CB VAL A 67 1.212 -3.389 16.529 1.00 31.32 C ATOM 620 CG1 VAL A 67 0.220 -2.376 16.055 1.00 32.26 C ATOM 621 CG2 VAL A 67 2.575 -2.806 16.507 1.00 31.84 C ATOM 622 H VAL A 67 1.368 -2.051 18.944 1.00 0.00 H ATOM 623 N THR A 68 1.821 -6.142 17.985 1.00 27.37 N ATOM 624 CA THR A 68 2.767 -7.139 18.466 1.00 27.52 C ATOM 625 C THR A 68 3.482 -7.813 17.307 1.00 25.63 C ATOM 626 O THR A 68 4.179 -8.791 17.522 1.00 25.46 O ATOM 627 CB THR A 68 2.060 -8.210 19.344 1.00 27.46 C ATOM 628 OG1 THR A 68 0.980 -8.789 18.591 1.00 26.01 O ATOM 629 CG2 THR A 68 1.481 -7.565 20.605 1.00 29.16 C ATOM 630 HG1 THR A 68 1.340 -9.211 17.771 1.00 0.00 H ATOM 631 H THR A 68 1.053 -6.419 17.341 1.00 0.00 H ATOM 632 N THR A 69 3.276 -7.303 16.084 1.00 24.09 N ATOM 633 CA THR A 69 3.963 -7.804 14.890 1.00 22.38 C ATOM 634 C THR A 69 4.440 -6.624 14.082 1.00 22.52 C ATOM 635 O THR A 69 3.665 -5.699 13.839 1.00 21.76 O ATOM 636 CB THR A 69 3.024 -8.637 14.053 1.00 23.49 C ATOM 637 OG1 THR A 69 2.649 -9.801 14.819 1.00 23.80 O ATOM 638 CG2 THR A 69 3.637 -9.048 12.712 1.00 22.23 C ATOM 639 HG1 THR A 69 2.032 -10.361 14.285 1.00 0.00 H ATOM 640 H THR A 69 2.601 -6.519 15.978 1.00 0.00 H ATOM 641 N VAL A 70 5.721 -6.657 13.715 1.00 20.78 N ATOM 642 CA VAL A 70 6.335 -5.675 12.824 1.00 20.78 C ATOM 643 C VAL A 70 6.920 -6.376 11.608 1.00 19.68 C ATOM 644 O VAL A 70 7.696 -7.358 11.723 1.00 20.91 O ATOM 645 CB VAL A 70 7.465 -4.899 13.509 1.00 19.05 C ATOM 646 CG1 VAL A 70 8.265 -4.056 12.460 1.00 17.98 C ATOM 647 CG2 VAL A 70 6.896 -4.020 14.525 1.00 19.62 C ATOM 648 H VAL A 70 6.317 -7.425 14.084 1.00 0.00 H ATOM 649 N ILE A 71 6.567 -5.871 10.431 1.00 18.39 N ATOM 650 CA ILE A 71 7.152 -6.358 9.199 1.00 17.37 C ATOM 651 C ILE A 71 8.160 -5.321 8.692 1.00 18.44 C ATOM 652 O ILE A 71 7.813 -4.146 8.459 1.00 19.21 O ATOM 653 CB ILE A 71 6.095 -6.567 8.090 1.00 18.39 C ATOM 654 CG1 ILE A 71 4.854 -7.292 8.614 1.00 18.31 C ATOM 655 CG2 ILE A 71 6.699 -7.271 6.899 1.00 16.23 C ATOM 656 CD1 ILE A 71 5.127 -8.681 9.234 1.00 21.88 C ATOM 657 H ILE A 71 5.857 -5.112 10.394 1.00 0.00 H ATOM 658 N LEU A 72 9.397 -5.749 8.528 1.00 17.68 N ATOM 659 CA LEU A 72 10.427 -4.910 7.918 1.00 17.15 C ATOM 660 C LEU A 72 10.462 -5.222 6.449 1.00 17.99 C ATOM 661 O LEU A 72 11.003 -6.231 6.043 1.00 18.04 O ATOM 662 CB LEU A 72 11.806 -5.090 8.568 1.00 16.33 C ATOM 663 CG LEU A 72 11.835 -4.745 10.055 1.00 15.95 C ATOM 664 CD1 LEU A 72 13.185 -5.142 10.687 1.00 18.56 C ATOM 665 CD2 LEU A 72 11.577 -3.216 10.378 1.00 15.90 C ATOM 666 H LEU A 72 9.646 -6.709 8.841 1.00 0.00 H ATOM 667 N TYR A 73 9.917 -4.290 5.648 1.00 17.51 N ATOM 668 CA TYR A 73 9.668 -4.529 4.224 1.00 18.56 C ATOM 669 C TYR A 73 10.609 -3.684 3.368 1.00 18.43 C ATOM 670 O TYR A 73 10.375 -2.476 3.211 1.00 17.79 O ATOM 671 CB TYR A 73 8.191 -4.235 3.964 1.00 18.34 C ATOM 672 CG TYR A 73 7.691 -4.735 2.651 1.00 19.73 C ATOM 673 CD1 TYR A 73 7.392 -3.853 1.631 1.00 22.06 C ATOM 674 CD2 TYR A 73 7.444 -6.099 2.452 1.00 22.12 C ATOM 675 CE1 TYR A 73 6.875 -4.317 0.399 1.00 23.77 C ATOM 676 CE2 TYR A 73 6.946 -6.588 1.230 1.00 22.61 C ATOM 677 CZ TYR A 73 6.666 -5.702 0.210 1.00 25.01 C ATOM 678 OH TYR A 73 6.177 -6.178 -1.002 1.00 22.06 O ATOM 679 HH TYR A 73 6.031 -5.418 -1.619 1.00 0.00 H ATOM 680 H TYR A 73 9.663 -3.367 6.053 1.00 0.00 H ATOM 681 N PRO A 74 11.721 -4.293 2.859 1.00 19.49 N ATOM 682 CA PRO A 74 12.659 -3.548 2.010 1.00 19.75 C ATOM 683 C PRO A 74 11.884 -2.848 0.875 1.00 20.94 C ATOM 684 O PRO A 74 11.014 -3.478 0.230 1.00 20.80 O ATOM 685 CB PRO A 74 13.555 -4.631 1.418 1.00 19.54 C ATOM 686 CG PRO A 74 13.476 -5.765 2.386 1.00 20.47 C ATOM 687 CD PRO A 74 12.072 -5.727 2.937 1.00 18.72 C ATOM 688 N TYR A 75 12.131 -1.553 0.703 1.00 20.13 N ATOM 689 CA TYR A 75 11.430 -0.777 -0.293 1.00 20.72 C ATOM 690 C TYR A 75 12.389 0.209 -0.958 1.00 20.91 C ATOM 691 O TYR A 75 12.994 1.043 -0.293 1.00 22.27 O ATOM 692 CB TYR A 75 10.244 -0.036 0.345 1.00 20.71 C ATOM 693 CG TYR A 75 9.084 0.142 -0.619 1.00 20.44 C ATOM 694 CD1 TYR A 75 8.423 -0.956 -1.155 1.00 21.33 C ATOM 695 CD2 TYR A 75 8.676 1.412 -1.007 1.00 21.60 C ATOM 696 CE1 TYR A 75 7.358 -0.794 -2.055 1.00 21.88 C ATOM 697 CE2 TYR A 75 7.615 1.598 -1.889 1.00 21.88 C ATOM 698 CZ TYR A 75 6.960 0.492 -2.424 1.00 21.74 C ATOM 699 OH TYR A 75 5.895 0.677 -3.304 1.00 23.20 O ATOM 700 HH TYR A 75 5.546 -0.205 -3.588 1.00 0.00 H ATOM 701 H TYR A 75 12.845 -1.088 1.299 1.00 0.00 H ATOM 702 N ALA A 76 12.547 0.136 -2.273 1.00 20.63 N ATOM 703 CA ALA A 76 13.529 1.001 -2.911 1.00 20.91 C ATOM 704 C ALA A 76 13.007 2.395 -3.287 1.00 20.13 C ATOM 705 O ALA A 76 13.741 3.193 -3.837 1.00 22.69 O ATOM 706 CB ALA A 76 14.157 0.301 -4.118 1.00 20.56 C ATOM 707 H ALA A 76 11.979 -0.527 -2.838 1.00 0.00 H ATOM 708 N HIS A 77 11.761 2.713 -2.959 1.00 20.37 N ATOM 709 CA HIS A 77 11.124 3.861 -3.592 1.00 20.57 C ATOM 710 C HIS A 77 10.806 5.086 -2.737 1.00 20.88 C ATOM 711 O HIS A 77 10.119 5.998 -3.224 1.00 22.18 O ATOM 712 CB HIS A 77 9.881 3.361 -4.326 1.00 20.82 C ATOM 713 CG HIS A 77 10.176 2.173 -5.186 1.00 23.47 C ATOM 714 ND1 HIS A 77 10.942 2.268 -6.331 1.00 24.70 N ATOM 715 CD2 HIS A 77 9.902 0.856 -5.021 1.00 23.90 C ATOM 716 CE1 HIS A 77 11.069 1.067 -6.870 1.00 25.69 C ATOM 717 NE2 HIS A 77 10.457 0.193 -6.094 1.00 26.67 N ATOM 718 H HIS A 77 11.243 2.148 -2.256 1.00 0.00 H ATOM 719 N LEU A 78 11.266 5.125 -1.483 1.00 19.51 N ATOM 720 CA LEU A 78 10.849 6.232 -0.577 1.00 19.64 C ATOM 721 C LEU A 78 11.748 7.461 -0.599 1.00 20.40 C ATOM 722 O LEU A 78 11.407 8.473 -0.011 1.00 20.67 O ATOM 723 CB LEU A 78 10.692 5.770 0.891 1.00 18.46 C ATOM 724 CG LEU A 78 9.727 4.600 1.137 1.00 16.54 C ATOM 725 CD1 LEU A 78 9.617 4.264 2.639 1.00 15.95 C ATOM 726 CD2 LEU A 78 8.355 4.892 0.526 1.00 17.27 C ATOM 727 H LEU A 78 11.912 4.386 -1.141 1.00 0.00 H ATOM 728 N SER A 79 12.891 7.367 -1.257 1.00 21.18 N ATOM 729 CA SER A 79 13.760 8.535 -1.373 1.00 22.12 C ATOM 730 C SER A 79 14.652 8.469 -2.607 1.00 21.41 C ATOM 731 O SER A 79 14.663 7.469 -3.318 1.00 21.56 O ATOM 732 CB SER A 79 14.616 8.741 -0.132 1.00 22.71 C ATOM 733 OG SER A 79 15.896 8.111 -0.239 1.00 22.41 O ATOM 734 HG SER A 79 16.413 8.273 0.590 1.00 0.00 H ATOM 735 H SER A 79 13.170 6.464 -1.691 1.00 0.00 H ATOM 736 N SER A 80 15.392 9.555 -2.815 1.00 21.69 N ATOM 737 CA SER A 80 16.300 9.704 -3.948 1.00 22.40 C ATOM 738 C SER A 80 17.740 9.813 -3.431 1.00 22.48 C ATOM 739 O SER A 80 18.562 10.546 -4.004 1.00 22.78 O ATOM 740 CB SER A 80 15.929 10.970 -4.730 1.00 21.50 C ATOM 741 OG SER A 80 14.719 10.817 -5.483 1.00 22.49 O ATOM 742 HG SER A 80 14.525 11.658 -5.967 1.00 0.00 H ATOM 743 H SER A 80 15.320 10.338 -2.135 1.00 0.00 H ATOM 744 N ARG A 81 18.034 9.133 -2.313 1.00 23.14 N ATOM 745 CA ARG A 81 19.426 8.962 -1.851 1.00 22.82 C ATOM 746 C ARG A 81 19.679 7.533 -1.365 1.00 21.92 C ATOM 747 O ARG A 81 20.164 7.319 -0.260 1.00 20.55 O ATOM 748 CB ARG A 81 19.813 10.023 -0.789 1.00 24.78 C ATOM 749 CG ARG A 81 18.709 10.348 0.220 1.00 27.84 C ATOM 750 CD ARG A 81 19.156 11.371 1.287 1.00 35.65 C ATOM 751 NE ARG A 81 18.110 11.617 2.300 1.00 39.60 N ATOM 752 CZ ARG A 81 18.190 12.500 3.307 1.00 42.65 C ATOM 753 NH1 ARG A 81 19.267 13.264 3.479 1.00 45.14 N ATOM 754 NH2 ARG A 81 17.181 12.630 4.155 1.00 41.91 N ATOM 755 HE ARG A 81 17.236 11.058 2.227 1.00 0.00 H ATOM 756 HH12 ARG A 81 19.304 13.941 4.268 1.00 0.00 H ATOM 757 HH11 ARG A 81 20.071 13.184 2.825 1.00 0.00 H ATOM 758 HH22 ARG A 81 17.243 13.314 4.936 1.00 0.00 H ATOM 759 HH21 ARG A 81 16.327 12.048 4.040 1.00 0.00 H ATOM 760 H ARG A 81 17.261 8.715 -1.757 1.00 0.00 H ATOM 761 N LEU A 82 19.401 6.583 -2.247 1.00 22.08 N ATOM 762 CA LEU A 82 19.517 5.143 -1.962 1.00 22.28 C ATOM 763 C LEU A 82 20.945 4.747 -1.691 1.00 23.99 C ATOM 764 O LEU A 82 21.890 5.261 -2.330 1.00 23.52 O ATOM 765 CB LEU A 82 19.005 4.311 -3.140 1.00 23.19 C ATOM 766 CG LEU A 82 17.595 3.773 -3.071 1.00 23.34 C ATOM 767 CD1 LEU A 82 16.685 4.946 -2.770 1.00 29.09 C ATOM 768 CD2 LEU A 82 17.217 3.008 -4.383 1.00 21.08 C ATOM 769 H LEU A 82 19.083 6.871 -3.194 1.00 0.00 H ATOM 770 N ALA A 83 21.093 3.834 -0.730 1.00 23.77 N ATOM 771 CA ALA A 83 22.346 3.128 -0.522 1.00 24.50 C ATOM 772 C ALA A 83 22.377 2.057 -1.604 1.00 24.42 C ATOM 773 O ALA A 83 21.334 1.642 -2.120 1.00 23.50 O ATOM 774 CB ALA A 83 22.393 2.473 0.868 1.00 23.23 C ATOM 775 H ALA A 83 20.286 3.621 -0.110 1.00 0.00 H ATOM 776 N LYS A 84 23.585 1.620 -1.940 1.00 24.93 N ATOM 777 CA LYS A 84 23.793 0.551 -2.895 1.00 26.57 C ATOM 778 C LYS A 84 23.241 -0.752 -2.292 1.00 26.94 C ATOM 779 O LYS A 84 23.116 -0.836 -1.061 1.00 27.14 O ATOM 780 CB LYS A 84 25.297 0.441 -3.161 1.00 27.46 C ATOM 781 CG LYS A 84 25.945 1.723 -3.700 1.00 31.41 C ATOM 782 CD LYS A 84 27.470 1.550 -3.611 1.00 39.95 C ATOM 783 CE LYS A 84 28.234 2.790 -4.049 1.00 43.79 C ATOM 784 NZ LYS A 84 29.618 2.355 -4.425 1.00 46.91 N ATOM 785 HZ1 LYS A 84 30.078 1.915 -3.602 1.00 0.00 H ATOM 786 HZ2 LYS A 84 29.564 1.666 -5.202 1.00 0.00 H ATOM 787 HZ3 LYS A 84 30.169 3.182 -4.731 1.00 0.00 H ATOM 788 H LYS A 84 24.416 2.064 -1.499 1.00 0.00 H ATOM 789 N PRO A 85 22.897 -1.760 -3.122 1.00 26.91 N ATOM 790 CA PRO A 85 22.140 -2.922 -2.611 1.00 27.70 C ATOM 791 C PRO A 85 22.838 -3.712 -1.518 1.00 27.08 C ATOM 792 O PRO A 85 22.179 -4.131 -0.579 1.00 27.37 O ATOM 793 CB PRO A 85 21.947 -3.798 -3.859 1.00 28.17 C ATOM 794 CG PRO A 85 21.911 -2.779 -4.973 1.00 27.91 C ATOM 795 CD PRO A 85 23.073 -1.874 -4.582 1.00 28.04 C ATOM 796 N MET A 86 24.160 -3.857 -1.603 1.00 28.32 N ATOM 797 CA MET A 86 24.894 -4.631 -0.598 1.00 27.61 C ATOM 798 C MET A 86 24.864 -3.928 0.782 1.00 27.07 C ATOM 799 O MET A 86 24.589 -4.595 1.790 1.00 26.84 O ATOM 800 CB MET A 86 26.339 -4.908 -1.033 1.00 28.99 C ATOM 801 CG MET A 86 27.263 -3.812 -0.969 1.00 28.56 C ATOM 802 SD MET A 86 28.920 -4.276 -1.509 1.00 28.79 S ATOM 803 CE MET A 86 29.463 -5.279 -0.118 1.00 28.69 C ATOM 804 H MET A 86 24.676 -3.416 -2.391 1.00 0.00 H ATOM 805 N ALA A 87 25.136 -2.615 0.814 1.00 24.55 N ATOM 806 CA ALA A 87 25.039 -1.795 2.045 1.00 23.77 C ATOM 807 C ALA A 87 23.613 -1.851 2.578 1.00 22.50 C ATOM 808 O ALA A 87 23.408 -1.971 3.796 1.00 22.57 O ATOM 809 CB ALA A 87 25.437 -0.343 1.778 1.00 23.31 C ATOM 810 H ALA A 87 25.429 -2.149 -0.068 1.00 0.00 H ATOM 811 N ALA A 88 22.645 -1.755 1.664 1.00 20.87 N ATOM 812 CA ALA A 88 21.220 -1.762 2.002 1.00 20.68 C ATOM 813 C ALA A 88 20.811 -3.042 2.686 1.00 21.18 C ATOM 814 O ALA A 88 20.172 -3.006 3.745 1.00 20.79 O ATOM 815 CB ALA A 88 20.354 -1.477 0.752 1.00 19.21 C ATOM 816 H ALA A 88 22.916 -1.671 0.663 1.00 0.00 H ATOM 817 N HIS A 89 21.181 -4.181 2.083 1.00 21.76 N ATOM 818 CA HIS A 89 20.882 -5.493 2.663 1.00 22.08 C ATOM 819 C HIS A 89 21.438 -5.619 4.091 1.00 21.95 C ATOM 820 O HIS A 89 20.718 -6.070 5.006 1.00 21.41 O ATOM 821 CB HIS A 89 21.465 -6.610 1.785 1.00 22.49 C ATOM 822 CG HIS A 89 21.048 -7.987 2.211 1.00 24.02 C ATOM 823 ND1 HIS A 89 21.953 -8.993 2.496 1.00 26.06 N ATOM 824 CD2 HIS A 89 19.823 -8.518 2.406 1.00 24.68 C ATOM 825 CE1 HIS A 89 21.298 -10.086 2.839 1.00 25.42 C ATOM 826 NE2 HIS A 89 20.001 -9.827 2.785 1.00 26.07 N ATOM 827 H HIS A 89 21.694 -4.132 1.180 1.00 0.00 H ATOM 828 N LYS A 90 22.712 -5.227 4.238 1.00 22.51 N ATOM 829 CA LYS A 90 23.443 -5.248 5.504 1.00 24.44 C ATOM 830 C LYS A 90 22.754 -4.437 6.589 1.00 23.56 C ATOM 831 O LYS A 90 22.575 -4.926 7.700 1.00 23.19 O ATOM 832 CB LYS A 90 24.882 -4.753 5.322 1.00 25.63 C ATOM 833 CG LYS A 90 25.743 -4.839 6.600 1.00 30.02 C ATOM 834 CD LYS A 90 27.248 -4.549 6.322 1.00 35.82 C ATOM 835 CE LYS A 90 28.069 -4.335 7.616 1.00 41.52 C ATOM 836 NZ LYS A 90 28.492 -5.621 8.304 1.00 44.13 N ATOM 837 HZ1 LYS A 90 27.646 -6.167 8.565 1.00 0.00 H ATOM 838 HZ2 LYS A 90 29.082 -6.181 7.656 1.00 0.00 H ATOM 839 HZ3 LYS A 90 29.036 -5.392 9.160 1.00 0.00 H ATOM 840 H LYS A 90 23.214 -4.885 3.394 1.00 0.00 H ATOM 841 N ARG A 91 22.347 -3.218 6.249 1.00 22.30 N ATOM 842 CA ARG A 91 21.612 -2.370 7.175 1.00 22.15 C ATOM 843 C ARG A 91 20.235 -2.944 7.572 1.00 21.09 C ATOM 844 O ARG A 91 19.815 -2.794 8.730 1.00 20.71 O ATOM 845 CB ARG A 91 21.505 -0.951 6.582 1.00 22.36 C ATOM 846 CG ARG A 91 21.989 0.168 7.522 1.00 28.77 C ATOM 847 CD ARG A 91 23.444 -0.056 8.137 1.00 31.42 C ATOM 848 NE ARG A 91 24.355 0.045 7.031 1.00 38.33 N ATOM 849 CZ ARG A 91 25.558 -0.493 6.915 1.00 38.70 C ATOM 850 NH1 ARG A 91 26.187 -0.303 5.769 1.00 38.29 N ATOM 851 NH2 ARG A 91 26.125 -1.208 7.884 1.00 41.53 N ATOM 852 HE ARG A 91 24.029 0.611 6.222 1.00 0.00 H ATOM 853 HH12 ARG A 91 27.136 -0.704 5.624 1.00 0.00 H ATOM 854 HH11 ARG A 91 25.734 0.247 5.012 1.00 0.00 H ATOM 855 HH22 ARG A 91 27.074 -1.611 7.746 1.00 0.00 H ATOM 856 HH21 ARG A 91 25.619 -1.364 8.779 1.00 0.00 H ATOM 857 H ARG A 91 22.560 -2.861 5.296 1.00 0.00 H ATOM 858 N LEU A 92 19.557 -3.614 6.645 1.00 19.32 N ATOM 859 CA LEU A 92 18.250 -4.202 6.936 1.00 19.85 C ATOM 860 C LEU A 92 18.394 -5.392 7.854 1.00 19.87 C ATOM 861 O LEU A 92 17.549 -5.612 8.723 1.00 18.60 O ATOM 862 CB LEU A 92 17.512 -4.619 5.641 1.00 19.25 C ATOM 863 CG LEU A 92 16.566 -3.487 5.187 1.00 21.95 C ATOM 864 CD1 LEU A 92 16.399 -3.520 3.684 1.00 26.38 C ATOM 865 CD2 LEU A 92 15.202 -3.616 5.891 1.00 22.40 C ATOM 866 H LEU A 92 19.964 -3.722 5.694 1.00 0.00 H ATOM 867 N ILE A 93 19.470 -6.149 7.660 1.00 20.23 N ATOM 868 CA ILE A 93 19.817 -7.218 8.574 1.00 21.68 C ATOM 869 C ILE A 93 20.134 -6.657 9.958 1.00 20.62 C ATOM 870 O ILE A 93 19.662 -7.196 10.934 1.00 20.13 O ATOM 871 CB ILE A 93 20.967 -8.106 8.039 1.00 22.73 C ATOM 872 CG1 ILE A 93 20.465 -8.891 6.818 1.00 24.78 C ATOM 873 CG2 ILE A 93 21.457 -9.090 9.146 1.00 22.26 C ATOM 874 CD1 ILE A 93 21.549 -9.490 6.016 1.00 30.00 C ATOM 875 H ILE A 93 20.076 -5.970 6.834 1.00 0.00 H ATOM 876 N GLU A 94 20.899 -5.566 10.027 1.00 20.47 N ATOM 877 CA GLU A 94 21.178 -4.919 11.307 1.00 21.00 C ATOM 878 C GLU A 94 19.886 -4.391 11.951 1.00 20.40 C ATOM 879 O GLU A 94 19.688 -4.506 13.169 1.00 20.80 O ATOM 880 CB GLU A 94 22.161 -3.777 11.118 1.00 21.83 C ATOM 881 CG GLU A 94 23.567 -4.248 10.826 1.00 25.08 C ATOM 882 CD GLU A 94 24.442 -3.100 10.363 1.00 28.48 C ATOM 883 OE1 GLU A 94 24.054 -1.933 10.539 1.00 28.20 O ATOM 884 OE2 GLU A 94 25.536 -3.368 9.830 1.00 32.33 O ATOM 885 H GLU A 94 21.304 -5.169 9.155 1.00 0.00 H ATOM 886 N LEU A 95 19.016 -3.803 11.141 1.00 19.40 N ATOM 887 CA LEU A 95 17.755 -3.266 11.656 1.00 19.63 C ATOM 888 C LEU A 95 16.888 -4.345 12.304 1.00 20.25 C ATOM 889 O LEU A 95 16.313 -4.120 13.377 1.00 20.51 O ATOM 890 CB LEU A 95 16.970 -2.535 10.559 1.00 19.49 C ATOM 891 CG LEU A 95 15.640 -1.876 10.940 1.00 20.95 C ATOM 892 CD1 LEU A 95 15.860 -0.783 12.027 1.00 22.64 C ATOM 893 CD2 LEU A 95 14.991 -1.298 9.687 1.00 17.67 C ATOM 894 H LEU A 95 19.232 -3.722 10.127 1.00 0.00 H ATOM 895 N GLU A 96 16.762 -5.490 11.635 1.00 20.45 N ATOM 896 CA GLU A 96 16.038 -6.635 12.173 1.00 20.56 C ATOM 897 C GLU A 96 16.602 -7.027 13.539 1.00 19.97 C ATOM 898 O GLU A 96 15.851 -7.147 14.500 1.00 20.45 O ATOM 899 CB GLU A 96 16.154 -7.843 11.229 1.00 21.01 C ATOM 900 CG GLU A 96 15.501 -9.080 11.827 1.00 25.21 C ATOM 901 CD GLU A 96 15.743 -10.355 11.008 1.00 28.54 C ATOM 902 OE1 GLU A 96 16.501 -10.304 10.010 1.00 26.47 O ATOM 903 OE2 GLU A 96 15.136 -11.396 11.373 1.00 31.25 O ATOM 904 H GLU A 96 17.196 -5.570 10.694 1.00 0.00 H ATOM 905 N GLY A 97 17.921 -7.214 13.624 1.00 20.99 N ATOM 906 CA GLY A 97 18.574 -7.568 14.906 1.00 20.92 C ATOM 907 C GLY A 97 18.351 -6.539 16.006 1.00 20.96 C ATOM 908 O GLY A 97 18.015 -6.896 17.146 1.00 21.69 O ATOM 909 H GLY A 97 18.504 -7.109 12.770 1.00 0.00 H ATOM 910 N ALA A 98 18.569 -5.259 15.679 1.00 20.47 N ATOM 911 CA ALA A 98 18.343 -4.116 16.585 1.00 19.19 C ATOM 912 C ALA A 98 16.926 -4.022 17.095 1.00 18.12 C ATOM 913 O ALA A 98 16.701 -3.726 18.281 1.00 18.36 O ATOM 914 CB ALA A 98 18.679 -2.804 15.861 1.00 19.43 C ATOM 915 H ALA A 98 18.921 -5.056 14.722 1.00 0.00 H ATOM 916 N LEU A 99 15.959 -4.227 16.202 1.00 17.51 N ATOM 917 CA LEU A 99 14.553 -4.136 16.612 1.00 16.91 C ATOM 918 C LEU A 99 14.235 -5.197 17.684 1.00 18.08 C ATOM 919 O LEU A 99 13.480 -4.930 18.628 1.00 17.25 O ATOM 920 CB LEU A 99 13.596 -4.205 15.411 1.00 15.81 C ATOM 921 CG LEU A 99 12.128 -4.055 15.785 1.00 17.47 C ATOM 922 CD1 LEU A 99 11.878 -2.698 16.489 1.00 17.52 C ATOM 923 CD2 LEU A 99 11.277 -4.166 14.522 1.00 20.89 C ATOM 924 H LEU A 99 16.200 -4.451 15.216 1.00 0.00 H ATOM 925 N ARG A 100 14.809 -6.391 17.531 1.00 18.56 N ATOM 926 CA ARG A 100 14.548 -7.479 18.496 1.00 21.09 C ATOM 927 C ARG A 100 15.079 -7.144 19.902 1.00 21.30 C ATOM 928 O ARG A 100 14.639 -7.717 20.895 1.00 21.33 O ATOM 929 CB ARG A 100 15.177 -8.783 18.021 1.00 21.01 C ATOM 930 CG ARG A 100 14.758 -9.225 16.684 1.00 21.91 C ATOM 931 CD ARG A 100 15.239 -10.687 16.436 1.00 24.89 C ATOM 932 NE ARG A 100 14.918 -11.120 15.072 1.00 21.92 N ATOM 933 CZ ARG A 100 13.699 -11.511 14.720 1.00 21.83 C ATOM 934 NH1 ARG A 100 12.742 -11.560 15.638 1.00 22.16 N ATOM 935 NH2 ARG A 100 13.435 -11.881 13.478 1.00 21.57 N ATOM 936 HE ARG A 100 15.672 -11.121 14.355 1.00 0.00 H ATOM 937 HH12 ARG A 100 11.783 -11.865 15.374 1.00 0.00 H ATOM 938 HH11 ARG A 100 12.951 -11.294 16.621 1.00 0.00 H ATOM 939 HH22 ARG A 100 12.475 -12.185 13.219 1.00 0.00 H ATOM 940 HH21 ARG A 100 14.188 -11.868 12.760 1.00 0.00 H ATOM 941 H ARG A 100 15.446 -6.558 16.726 1.00 0.00 H ATOM 942 N THR A 101 16.036 -6.219 19.974 1.00 22.26 N ATOM 943 CA THR A 101 16.545 -5.762 21.282 1.00 22.37 C ATOM 944 C THR A 101 15.669 -4.702 21.923 1.00 22.65 C ATOM 945 O THR A 101 15.905 -4.329 23.073 1.00 22.63 O ATOM 946 CB THR A 101 17.989 -5.207 21.189 1.00 22.29 C ATOM 947 OG1 THR A 101 17.968 -3.892 20.609 1.00 22.94 O ATOM 948 CG2 THR A 101 18.891 -6.145 20.368 1.00 22.85 C ATOM 949 HG1 THR A 101 17.575 -3.939 19.701 1.00 0.00 H ATOM 950 H THR A 101 16.428 -5.815 19.100 1.00 0.00 H ATOM 951 N LYS A 102 14.695 -4.181 21.168 1.00 21.86 N ATOM 952 CA LYS A 102 13.877 -3.086 21.646 1.00 21.66 C ATOM 953 C LYS A 102 12.377 -3.375 21.721 1.00 21.27 C ATOM 954 O LYS A 102 11.636 -2.740 22.492 1.00 20.45 O ATOM 955 CB LYS A 102 14.126 -1.815 20.793 1.00 22.26 C ATOM 956 CG LYS A 102 15.524 -1.273 20.850 1.00 21.63 C ATOM 957 CD LYS A 102 15.881 -0.848 22.281 1.00 30.46 C ATOM 958 CE LYS A 102 17.389 -0.583 22.440 1.00 36.85 C ATOM 959 NZ LYS A 102 17.812 0.477 21.452 1.00 38.32 N ATOM 960 HZ1 LYS A 102 17.614 0.147 20.486 1.00 0.00 H ATOM 961 HZ2 LYS A 102 17.281 1.352 21.636 1.00 0.00 H ATOM 962 HZ3 LYS A 102 18.831 0.659 21.556 1.00 0.00 H ATOM 963 H LYS A 102 14.522 -4.570 20.219 1.00 0.00 H ATOM 964 N PHE A 103 11.943 -4.363 20.948 1.00 21.89 N ATOM 965 CA PHE A 103 10.507 -4.680 20.734 1.00 21.35 C ATOM 966 C PHE A 103 10.357 -6.192 20.959 1.00 21.12 C ATOM 967 O PHE A 103 11.150 -6.950 20.431 1.00 21.30 O ATOM 968 CB PHE A 103 10.123 -4.255 19.298 1.00 20.69 C ATOM 969 CG PHE A 103 8.804 -4.809 18.803 1.00 21.40 C ATOM 970 CD1 PHE A 103 7.594 -4.314 19.280 1.00 22.40 C ATOM 971 CD2 PHE A 103 8.776 -5.780 17.808 1.00 19.63 C ATOM 972 CE1 PHE A 103 6.347 -4.839 18.799 1.00 20.57 C ATOM 973 CE2 PHE A 103 7.567 -6.286 17.351 1.00 18.59 C ATOM 974 CZ PHE A 103 6.362 -5.795 17.837 1.00 18.96 C ATOM 975 H PHE A 103 12.651 -4.951 20.463 1.00 0.00 H ATOM 976 N PRO A 104 9.374 -6.621 21.791 1.00 21.49 N ATOM 977 CA PRO A 104 9.205 -8.021 22.237 1.00 22.13 C ATOM 978 C PRO A 104 8.344 -8.905 21.346 1.00 22.35 C ATOM 979 O PRO A 104 8.192 -10.097 21.619 1.00 22.85 O ATOM 980 CB PRO A 104 8.495 -7.864 23.595 1.00 22.10 C ATOM 981 CG PRO A 104 7.755 -6.600 23.472 1.00 24.04 C ATOM 982 CD PRO A 104 8.561 -5.689 22.599 1.00 21.25 C ATOM 983 N GLY A 105 7.753 -8.336 20.306 1.00 21.91 N ATOM 984 CA GLY A 105 6.835 -9.101 19.491 1.00 21.24 C ATOM 985 C GLY A 105 7.495 -9.716 18.273 1.00 20.15 C ATOM 986 O GLY A 105 8.753 -9.770 18.162 1.00 21.59 O ATOM 987 H GLY A 105 7.949 -7.341 20.076 1.00 0.00 H ATOM 988 N HIS A 106 6.649 -10.132 17.346 1.00 19.66 N ATOM 989 CA HIS A 106 7.072 -10.852 16.141 1.00 20.35 C ATOM 990 C HIS A 106 7.766 -9.847 15.200 1.00 20.52 C ATOM 991 O HIS A 106 7.181 -8.847 14.852 1.00 21.53 O ATOM 992 CB HIS A 106 5.831 -11.430 15.490 1.00 20.06 C ATOM 993 CG HIS A 106 6.100 -12.191 14.232 1.00 20.12 C ATOM 994 ND1 HIS A 106 5.086 -12.583 13.392 1.00 20.87 N ATOM 995 CD2 HIS A 106 7.253 -12.628 13.665 1.00 19.76 C ATOM 996 CE1 HIS A 106 5.598 -13.226 12.358 1.00 20.29 C ATOM 997 NE2 HIS A 106 6.909 -13.276 12.499 1.00 19.10 N ATOM 998 H HIS A 106 5.636 -9.939 17.478 1.00 0.00 H ATOM 999 N VAL A 107 9.006 -10.099 14.792 1.00 21.68 N ATOM 1000 CA VAL A 107 9.672 -9.260 13.782 1.00 20.99 C ATOM 1001 C VAL A 107 9.930 -10.104 12.527 1.00 21.24 C ATOM 1002 O VAL A 107 10.652 -11.143 12.557 1.00 20.53 O ATOM 1003 CB VAL A 107 11.016 -8.656 14.278 1.00 20.17 C ATOM 1004 CG1 VAL A 107 11.743 -7.895 13.122 1.00 17.13 C ATOM 1005 CG2 VAL A 107 10.800 -7.787 15.542 1.00 19.24 C ATOM 1006 H VAL A 107 9.518 -10.909 15.196 1.00 0.00 H ATOM 1007 N HIS A 108 9.308 -9.693 11.418 1.00 20.14 N ATOM 1008 CA HIS A 108 9.497 -10.391 10.146 1.00 20.90 C ATOM 1009 C HIS A 108 10.208 -9.521 9.140 1.00 21.28 C ATOM 1010 O HIS A 108 9.654 -8.496 8.731 1.00 21.69 O ATOM 1011 CB HIS A 108 8.161 -10.847 9.538 1.00 20.85 C ATOM 1012 CG HIS A 108 8.328 -11.574 8.229 1.00 22.48 C ATOM 1013 ND1 HIS A 108 8.496 -12.941 8.155 1.00 22.86 N ATOM 1014 CD2 HIS A 108 8.369 -11.124 6.949 1.00 23.53 C ATOM 1015 CE1 HIS A 108 8.627 -13.302 6.889 1.00 23.13 C ATOM 1016 NE2 HIS A 108 8.540 -12.221 6.138 1.00 22.02 N ATOM 1017 H HIS A 108 8.680 -8.865 11.460 1.00 0.00 H ATOM 1018 N ARG A 109 11.440 -9.886 8.768 1.00 21.75 N ATOM 1019 CA ARG A 109 12.133 -9.163 7.724 1.00 21.91 C ATOM 1020 C ARG A 109 11.819 -9.844 6.413 1.00 22.98 C ATOM 1021 O ARG A 109 12.164 -11.024 6.224 1.00 23.58 O ATOM 1022 CB ARG A 109 13.666 -9.158 7.941 1.00 23.29 C ATOM 1023 CG ARG A 109 14.415 -8.288 6.925 1.00 21.44 C ATOM 1024 CD ARG A 109 15.936 -8.216 7.182 1.00 24.86 C ATOM 1025 NE ARG A 109 16.619 -9.506 7.170 1.00 29.07 N ATOM 1026 CZ ARG A 109 16.856 -10.214 6.061 1.00 32.18 C ATOM 1027 NH1 ARG A 109 16.424 -9.793 4.876 1.00 36.56 N ATOM 1028 NH2 ARG A 109 17.501 -11.353 6.144 1.00 36.54 N ATOM 1029 HE ARG A 109 16.940 -9.898 8.078 1.00 0.00 H ATOM 1030 HH12 ARG A 109 16.617 -10.355 4.023 1.00 0.00 H ATOM 1031 HH11 ARG A 109 15.894 -8.901 4.803 1.00 0.00 H ATOM 1032 HH22 ARG A 109 17.688 -11.908 5.285 1.00 0.00 H ATOM 1033 HH21 ARG A 109 17.825 -11.701 7.069 1.00 0.00 H ATOM 1034 H ARG A 109 11.902 -10.694 9.232 1.00 0.00 H ATOM 1035 N ALA A 110 11.169 -9.112 5.505 1.00 22.47 N ATOM 1036 CA ALA A 110 10.811 -9.662 4.197 1.00 22.42 C ATOM 1037 C ALA A 110 12.073 -9.671 3.350 1.00 22.25 C ATOM 1038 O ALA A 110 12.988 -8.881 3.600 1.00 22.33 O ATOM 1039 CB ALA A 110 9.741 -8.807 3.546 1.00 21.63 C ATOM 1040 H ALA A 110 10.912 -8.130 5.732 1.00 0.00 H ATOM 1041 N PRO A 111 12.142 -10.567 2.346 1.00 22.99 N ATOM 1042 CA PRO A 111 13.387 -10.722 1.554 1.00 23.37 C ATOM 1043 C PRO A 111 13.787 -9.475 0.764 1.00 23.10 C ATOM 1044 O PRO A 111 12.926 -8.716 0.321 1.00 23.90 O ATOM 1045 CB PRO A 111 13.090 -11.882 0.583 1.00 23.54 C ATOM 1046 CG PRO A 111 11.603 -12.142 0.702 1.00 22.89 C ATOM 1047 CD PRO A 111 11.083 -11.531 1.967 1.00 22.73 C ATOM 1048 N PHE A 112 15.089 -9.309 0.584 1.00 23.12 N ATOM 1049 CA PHE A 112 15.666 -8.187 -0.125 1.00 23.60 C ATOM 1050 C PHE A 112 16.102 -8.571 -1.549 1.00 24.47 C ATOM 1051 O PHE A 112 16.628 -9.674 -1.753 1.00 25.60 O ATOM 1052 CB PHE A 112 16.882 -7.714 0.695 1.00 24.29 C ATOM 1053 CG PHE A 112 17.569 -6.505 0.134 1.00 22.96 C ATOM 1054 CD1 PHE A 112 18.458 -6.615 -0.942 1.00 23.27 C ATOM 1055 CD2 PHE A 112 17.341 -5.251 0.675 1.00 21.79 C ATOM 1056 CE1 PHE A 112 19.100 -5.494 -1.465 1.00 23.11 C ATOM 1057 CE2 PHE A 112 17.970 -4.130 0.137 1.00 18.80 C ATOM 1058 CZ PHE A 112 18.856 -4.240 -0.904 1.00 19.76 C ATOM 1059 H PHE A 112 15.733 -10.026 0.975 1.00 0.00 H ATOM 1060 N GLY A 113 15.934 -7.662 -2.524 1.00 24.06 N ATOM 1061 CA GLY A 113 16.400 -7.884 -3.909 1.00 24.02 C ATOM 1062 C GLY A 113 15.408 -8.454 -4.928 1.00 24.75 C ATOM 1063 O GLY A 113 15.814 -8.768 -6.047 1.00 26.50 O ATOM 1064 H GLY A 113 15.457 -6.767 -2.295 1.00 0.00 H ATOM 1065 N TRP A 114 14.122 -8.579 -4.571 1.00 25.24 N ATOM 1066 CA TRP A 114 13.069 -9.098 -5.464 1.00 25.52 C ATOM 1067 C TRP A 114 11.993 -8.049 -5.779 1.00 25.55 C ATOM 1068 O TRP A 114 11.760 -7.114 -4.986 1.00 25.22 O ATOM 1069 CB TRP A 114 12.361 -10.319 -4.844 1.00 26.44 C ATOM 1070 CG TRP A 114 13.318 -11.412 -4.510 1.00 29.03 C ATOM 1071 CD1 TRP A 114 14.139 -11.482 -3.408 1.00 31.38 C ATOM 1072 CD2 TRP A 114 13.580 -12.596 -5.285 1.00 29.24 C ATOM 1073 NE1 TRP A 114 14.907 -12.639 -3.458 1.00 30.56 N ATOM 1074 CE2 TRP A 114 14.582 -13.337 -4.595 1.00 30.10 C ATOM 1075 CE3 TRP A 114 13.076 -13.096 -6.499 1.00 29.72 C ATOM 1076 CZ2 TRP A 114 15.095 -14.557 -5.086 1.00 30.99 C ATOM 1077 CZ3 TRP A 114 13.585 -14.306 -6.988 1.00 29.43 C ATOM 1078 CH2 TRP A 114 14.578 -15.026 -6.274 1.00 31.25 C ATOM 1079 HE1 TRP A 114 15.612 -12.929 -2.751 1.00 0.00 H ATOM 1080 H TRP A 114 13.851 -8.293 -3.608 1.00 0.00 H ATOM 1081 N TYR A 115 11.327 -8.200 -6.930 1.00 24.18 N ATOM 1082 CA TYR A 115 10.080 -7.492 -7.142 1.00 24.07 C ATOM 1083 C TYR A 115 9.061 -8.283 -6.372 1.00 24.89 C ATOM 1084 O TYR A 115 9.206 -9.521 -6.197 1.00 26.51 O ATOM 1085 CB TYR A 115 9.732 -7.420 -8.634 1.00 23.83 C ATOM 1086 CG TYR A 115 10.736 -6.660 -9.432 1.00 24.91 C ATOM 1087 CD1 TYR A 115 10.910 -5.285 -9.244 1.00 26.47 C ATOM 1088 CD2 TYR A 115 11.521 -7.293 -10.394 1.00 24.66 C ATOM 1089 CE1 TYR A 115 11.856 -4.581 -9.962 1.00 25.56 C ATOM 1090 CE2 TYR A 115 12.484 -6.575 -11.121 1.00 26.96 C ATOM 1091 CZ TYR A 115 12.620 -5.228 -10.911 1.00 26.92 C ATOM 1092 OH TYR A 115 13.558 -4.504 -11.615 1.00 27.20 O ATOM 1093 HH TYR A 115 13.517 -3.555 -11.337 1.00 0.00 H ATOM 1094 H TYR A 115 11.704 -8.825 -7.671 1.00 0.00 H ATOM 1095 N LYS A 116 8.027 -7.627 -5.887 1.00 24.77 N ATOM 1096 CA LYS A 116 7.048 -8.337 -5.094 1.00 25.67 C ATOM 1097 C LYS A 116 5.653 -7.935 -5.444 1.00 25.76 C ATOM 1098 O LYS A 116 5.404 -6.802 -5.839 1.00 26.20 O ATOM 1099 CB LYS A 116 7.244 -8.091 -3.586 1.00 25.47 C ATOM 1100 CG LYS A 116 8.579 -8.627 -3.006 1.00 25.26 C ATOM 1101 CD LYS A 116 8.584 -8.374 -1.518 1.00 26.59 C ATOM 1102 CE LYS A 116 9.825 -8.892 -0.837 1.00 28.86 C ATOM 1103 NZ LYS A 116 10.209 -7.887 0.272 1.00 28.53 N ATOM 1104 HZ1 LYS A 116 10.392 -6.956 -0.154 1.00 0.00 H ATOM 1105 HZ2 LYS A 116 9.428 -7.810 0.954 1.00 0.00 H ATOM 1106 HZ3 LYS A 116 11.065 -8.221 0.760 1.00 0.00 H ATOM 1107 H LYS A 116 7.916 -6.610 -6.072 1.00 0.00 H ATOM 1108 N SER A 117 4.728 -8.846 -5.227 1.00 26.17 N ATOM 1109 CA SER A 117 3.333 -8.488 -5.257 1.00 26.69 C ATOM 1110 C SER A 117 3.008 -8.377 -3.796 1.00 27.12 C ATOM 1111 O SER A 117 3.672 -9.012 -2.959 1.00 26.84 O ATOM 1112 CB SER A 117 2.502 -9.566 -5.968 1.00 27.55 C ATOM 1113 OG SER A 117 2.485 -10.805 -5.255 1.00 28.65 O ATOM 1114 HG SER A 117 2.094 -10.662 -4.357 1.00 0.00 H ATOM 1115 H SER A 117 5.006 -9.829 -5.033 1.00 0.00 H ATOM 1116 N PHE A 118 2.053 -7.525 -3.456 1.00 26.97 N ATOM 1117 CA PHE A 118 1.622 -7.465 -2.082 1.00 27.01 C ATOM 1118 C PHE A 118 0.197 -7.003 -2.008 1.00 27.88 C ATOM 1119 O PHE A 118 -0.373 -6.467 -2.979 1.00 27.52 O ATOM 1120 CB PHE A 118 2.546 -6.608 -1.206 1.00 26.34 C ATOM 1121 CG PHE A 118 2.339 -5.113 -1.363 1.00 25.49 C ATOM 1122 CD1 PHE A 118 3.178 -4.363 -2.188 1.00 23.41 C ATOM 1123 CD2 PHE A 118 1.294 -4.472 -0.697 1.00 24.05 C ATOM 1124 CE1 PHE A 118 3.002 -2.973 -2.321 1.00 23.14 C ATOM 1125 CE2 PHE A 118 1.105 -3.072 -0.845 1.00 25.00 C ATOM 1126 CZ PHE A 118 1.958 -2.344 -1.649 1.00 21.20 C ATOM 1127 H PHE A 118 1.619 -6.907 -4.171 1.00 0.00 H ATOM 1128 N SER A 119 -0.377 -7.229 -0.838 1.00 28.10 N ATOM 1129 CA SER A 119 -1.691 -6.798 -0.565 1.00 29.01 C ATOM 1130 C SER A 119 -1.673 -6.306 0.879 1.00 28.76 C ATOM 1131 O SER A 119 -1.035 -6.926 1.733 1.00 29.38 O ATOM 1132 CB SER A 119 -2.619 -7.984 -0.779 1.00 29.24 C ATOM 1133 OG SER A 119 -3.936 -7.563 -0.594 1.00 33.28 O ATOM 1134 HG SER A 119 -4.548 -8.329 -0.731 1.00 0.00 H ATOM 1135 H SER A 119 0.154 -7.737 -0.102 1.00 0.00 H ATOM 1136 N ILE A 120 -2.315 -5.172 1.141 1.00 27.99 N ATOM 1137 CA ILE A 120 -2.396 -4.589 2.483 1.00 27.99 C ATOM 1138 C ILE A 120 -3.751 -3.972 2.687 1.00 29.16 C ATOM 1139 O ILE A 120 -4.309 -3.390 1.749 1.00 29.55 O ATOM 1140 CB ILE A 120 -1.333 -3.466 2.695 1.00 28.10 C ATOM 1141 CG1 ILE A 120 -1.258 -3.037 4.164 1.00 24.75 C ATOM 1142 CG2 ILE A 120 -1.622 -2.210 1.786 1.00 27.69 C ATOM 1143 CD1 ILE A 120 -0.025 -2.184 4.482 1.00 25.29 C ATOM 1144 H ILE A 120 -2.782 -4.675 0.356 1.00 0.00 H ATOM 1145 N ALA A 121 -4.270 -4.058 3.910 1.00 29.31 N ATOM 1146 CA ALA A 121 -5.431 -3.297 4.298 1.00 29.55 C ATOM 1147 C ALA A 121 -4.987 -2.414 5.445 1.00 29.63 C ATOM 1148 O ALA A 121 -4.721 -2.875 6.580 1.00 29.34 O ATOM 1149 CB ALA A 121 -6.597 -4.211 4.712 1.00 29.88 C ATOM 1150 H ALA A 121 -3.825 -4.692 4.605 1.00 0.00 H ATOM 1151 N CYS A 122 -4.854 -1.136 5.129 1.00 27.66 N ATOM 1152 CA CYS A 122 -4.308 -0.176 6.022 1.00 27.97 C ATOM 1153 C CYS A 122 -5.446 0.482 6.781 1.00 28.77 C ATOM 1154 O CYS A 122 -6.424 0.919 6.174 1.00 28.12 O ATOM 1155 CB CYS A 122 -3.583 0.876 5.187 1.00 28.35 C ATOM 1156 SG CYS A 122 -2.779 2.128 6.104 1.00 29.53 S ATOM 1157 H CYS A 122 -5.162 -0.821 4.187 1.00 0.00 H ATOM 1158 N LYS A 123 -5.288 0.582 8.106 1.00 28.25 N ATOM 1159 CA LYS A 123 -6.289 1.163 8.996 1.00 29.04 C ATOM 1160 C LYS A 123 -6.483 2.647 8.781 1.00 29.29 C ATOM 1161 O LYS A 123 -5.547 3.360 8.369 1.00 27.22 O ATOM 1162 CB LYS A 123 -5.895 0.963 10.466 1.00 29.28 C ATOM 1163 CG LYS A 123 -5.945 -0.496 10.925 1.00 30.63 C ATOM 1164 CD LYS A 123 -5.673 -0.548 12.417 1.00 29.72 C ATOM 1165 CE LYS A 123 -5.800 -1.968 12.899 1.00 33.26 C ATOM 1166 NZ LYS A 123 -7.246 -2.243 13.136 1.00 36.44 N ATOM 1167 HZ1 LYS A 123 -7.610 -1.584 13.854 1.00 0.00 H ATOM 1168 HZ2 LYS A 123 -7.772 -2.115 12.248 1.00 0.00 H ATOM 1169 HZ3 LYS A 123 -7.361 -3.221 13.471 1.00 0.00 H ATOM 1170 H LYS A 123 -4.405 0.227 8.524 1.00 0.00 H ATOM 1171 N GLY A 124 -7.690 3.106 9.134 1.00 27.81 N ATOM 1172 CA GLY A 124 -8.067 4.484 8.963 1.00 27.19 C ATOM 1173 C GLY A 124 -7.735 5.462 10.065 1.00 26.68 C ATOM 1174 O GLY A 124 -7.918 6.669 9.886 1.00 26.76 O ATOM 1175 H GLY A 124 -8.378 2.444 9.546 1.00 0.00 H ATOM 1176 N HIS A 125 -7.255 4.985 11.212 1.00 26.89 N ATOM 1177 CA HIS A 125 -7.042 5.893 12.328 1.00 27.22 C ATOM 1178 C HIS A 125 -5.901 6.868 12.047 1.00 27.00 C ATOM 1179 O HIS A 125 -5.085 6.620 11.139 1.00 27.95 O ATOM 1180 CB HIS A 125 -6.875 5.139 13.672 1.00 28.26 C ATOM 1181 CG HIS A 125 -5.541 4.466 13.862 1.00 27.49 C ATOM 1182 ND1 HIS A 125 -4.413 5.140 14.281 1.00 27.27 N ATOM 1183 CD2 HIS A 125 -5.180 3.162 13.746 1.00 26.22 C ATOM 1184 CE1 HIS A 125 -3.415 4.282 14.416 1.00 28.79 C ATOM 1185 NE2 HIS A 125 -3.850 3.076 14.084 1.00 25.47 N ATOM 1186 H HIS A 125 -7.035 3.973 11.309 1.00 0.00 H ATOM 1187 N PRO A 126 -5.851 7.975 12.801 1.00 27.26 N ATOM 1188 CA PRO A 126 -4.948 9.091 12.598 1.00 27.21 C ATOM 1189 C PRO A 126 -3.457 8.749 12.599 1.00 27.89 C ATOM 1190 O PRO A 126 -2.668 9.451 11.948 1.00 27.64 O ATOM 1191 CB PRO A 126 -5.269 10.001 13.769 1.00 27.82 C ATOM 1192 CG PRO A 126 -6.787 9.785 13.922 1.00 27.92 C ATOM 1193 CD PRO A 126 -6.900 8.305 13.797 1.00 27.15 C ATOM 1194 N LEU A 127 -3.075 7.688 13.299 1.00 27.17 N ATOM 1195 CA LEU A 127 -1.661 7.321 13.376 1.00 26.24 C ATOM 1196 C LEU A 127 -1.390 6.105 12.543 1.00 24.83 C ATOM 1197 O LEU A 127 -0.332 5.520 12.673 1.00 25.30 O ATOM 1198 CB LEU A 127 -1.233 7.087 14.842 1.00 27.01 C ATOM 1199 CG LEU A 127 -1.300 8.281 15.791 1.00 29.45 C ATOM 1200 CD1 LEU A 127 -1.086 7.822 17.236 1.00 34.34 C ATOM 1201 CD2 LEU A 127 -0.314 9.362 15.409 1.00 33.82 C ATOM 1202 H LEU A 127 -3.786 7.114 13.796 1.00 0.00 H ATOM 1203 N ALA A 128 -2.304 5.734 11.652 1.00 24.12 N ATOM 1204 CA ALA A 128 -2.130 4.505 10.886 1.00 23.68 C ATOM 1205 C ALA A 128 -1.142 4.649 9.740 1.00 23.11 C ATOM 1206 O ALA A 128 -0.721 3.650 9.178 1.00 21.92 O ATOM 1207 CB ALA A 128 -3.445 3.994 10.363 1.00 24.39 C ATOM 1208 H ALA A 128 -3.148 6.323 11.500 1.00 0.00 H ATOM 1209 N GLU A 129 -0.810 5.888 9.368 1.00 23.22 N ATOM 1210 CA GLU A 129 0.143 6.122 8.257 1.00 22.43 C ATOM 1211 C GLU A 129 1.006 7.311 8.622 1.00 22.04 C ATOM 1212 O GLU A 129 0.487 8.413 8.830 1.00 21.71 O ATOM 1213 CB GLU A 129 -0.597 6.390 6.938 1.00 22.31 C ATOM 1214 CG GLU A 129 -1.500 5.271 6.567 1.00 24.82 C ATOM 1215 CD GLU A 129 -2.303 5.559 5.306 1.00 27.27 C ATOM 1216 OE1 GLU A 129 -3.532 5.779 5.432 1.00 27.92 O ATOM 1217 OE2 GLU A 129 -1.694 5.570 4.216 1.00 26.46 O ATOM 1218 H GLU A 129 -1.226 6.701 9.865 1.00 0.00 H ATOM 1219 N LEU A 130 2.317 7.091 8.732 1.00 22.39 N ATOM 1220 CA LEU A 130 3.258 8.137 9.145 1.00 23.65 C ATOM 1221 C LEU A 130 4.591 7.818 8.507 1.00 22.23 C ATOM 1222 O LEU A 130 4.864 6.663 8.242 1.00 21.98 O ATOM 1223 CB LEU A 130 3.498 8.106 10.667 1.00 25.38 C ATOM 1224 CG LEU A 130 2.441 8.230 11.753 1.00 28.39 C ATOM 1225 CD1 LEU A 130 3.150 8.148 13.043 1.00 28.63 C ATOM 1226 CD2 LEU A 130 1.692 9.557 11.641 1.00 33.20 C ATOM 1227 H LEU A 130 2.685 6.143 8.517 1.00 0.00 H ATOM 1228 N SER A 131 5.426 8.815 8.254 1.00 22.21 N ATOM 1229 CA SER A 131 6.778 8.506 7.732 1.00 22.96 C ATOM 1230 C SER A 131 7.791 9.091 8.664 1.00 22.09 C ATOM 1231 O SER A 131 7.469 10.043 9.391 1.00 22.08 O ATOM 1232 CB SER A 131 6.991 9.030 6.310 1.00 23.76 C ATOM 1233 OG SER A 131 7.046 10.447 6.361 1.00 30.09 O ATOM 1234 HG SER A 131 6.195 10.796 6.728 1.00 0.00 H ATOM 1235 H SER A 131 5.137 9.800 8.419 1.00 0.00 H ATOM 1236 N ARG A 132 9.001 8.504 8.678 1.00 21.70 N ATOM 1237 CA ARG A 132 10.024 8.844 9.661 1.00 22.90 C ATOM 1238 C ARG A 132 11.382 8.715 8.972 1.00 22.98 C ATOM 1239 O ARG A 132 11.544 7.846 8.120 1.00 23.20 O ATOM 1240 CB ARG A 132 9.907 7.947 10.938 1.00 22.77 C ATOM 1241 CG ARG A 132 8.555 8.129 11.683 1.00 26.44 C ATOM 1242 CD ARG A 132 8.657 8.561 13.134 1.00 28.05 C ATOM 1243 NE ARG A 132 7.390 9.068 13.672 1.00 29.84 N ATOM 1244 CZ ARG A 132 6.920 8.786 14.899 1.00 31.87 C ATOM 1245 NH1 ARG A 132 7.566 7.959 15.723 1.00 32.25 N ATOM 1246 NH2 ARG A 132 5.764 9.300 15.307 1.00 33.51 N ATOM 1247 HE ARG A 132 6.817 9.687 13.063 1.00 0.00 H ATOM 1248 HH12 ARG A 132 7.179 7.759 16.667 1.00 0.00 H ATOM 1249 HH11 ARG A 132 8.456 7.515 15.421 1.00 0.00 H ATOM 1250 HH22 ARG A 132 5.403 9.080 16.257 1.00 0.00 H ATOM 1251 HH21 ARG A 132 5.220 9.923 14.676 1.00 0.00 H ATOM 1252 H ARG A 132 9.215 7.781 7.962 1.00 0.00 H ATOM 1253 N SER A 133 12.318 9.613 9.288 1.00 22.12 N ATOM 1254 CA SER A 133 13.703 9.531 8.766 1.00 22.93 C ATOM 1255 C SER A 133 14.701 9.449 9.856 1.00 22.11 C ATOM 1256 O SER A 133 14.483 10.020 10.908 1.00 21.92 O ATOM 1257 CB SER A 133 14.041 10.735 7.930 1.00 23.07 C ATOM 1258 OG SER A 133 13.217 10.657 6.800 1.00 27.81 O ATOM 1259 HG SER A 133 13.397 11.430 6.208 1.00 0.00 H ATOM 1260 H SER A 133 12.067 10.398 9.923 1.00 0.00 H ATOM 1261 N PHE A 134 15.810 8.765 9.600 1.00 21.86 N ATOM 1262 CA PHE A 134 16.866 8.625 10.597 1.00 22.72 C ATOM 1263 C PHE A 134 18.177 8.753 9.896 1.00 23.35 C ATOM 1264 O PHE A 134 18.279 8.420 8.728 1.00 24.13 O ATOM 1265 CB PHE A 134 16.742 7.280 11.350 1.00 21.84 C ATOM 1266 CG PHE A 134 15.396 7.092 11.990 1.00 21.90 C ATOM 1267 CD1 PHE A 134 15.154 7.592 13.265 1.00 19.64 C ATOM 1268 CD2 PHE A 134 14.355 6.491 11.303 1.00 18.88 C ATOM 1269 CE1 PHE A 134 13.913 7.490 13.845 1.00 21.75 C ATOM 1270 CE2 PHE A 134 13.109 6.396 11.877 1.00 18.59 C ATOM 1271 CZ PHE A 134 12.882 6.882 13.158 1.00 18.97 C ATOM 1272 H PHE A 134 15.929 8.319 8.668 1.00 0.00 H ATOM 1273 N THR A 135 19.174 9.287 10.590 1.00 25.11 N ATOM 1274 CA THR A 135 20.449 9.589 9.991 1.00 27.45 C ATOM 1275 C THR A 135 21.457 9.503 11.121 1.00 28.74 C ATOM 1276 O THR A 135 21.090 9.286 12.294 1.00 28.53 O ATOM 1277 CB THR A 135 20.490 11.077 9.486 1.00 28.38 C ATOM 1278 OG1 THR A 135 20.343 11.961 10.619 1.00 31.01 O ATOM 1279 CG2 THR A 135 19.393 11.402 8.458 1.00 28.27 C ATOM 1280 HG1 THR A 135 20.368 12.901 10.308 1.00 0.00 H ATOM 1281 H THR A 135 19.030 9.494 11.599 1.00 0.00 H ATOM 1282 N GLU A 136 22.725 9.692 10.772 1.00 30.33 N ATOM 1283 CA GLU A 136 23.791 9.842 11.763 1.00 33.00 C ATOM 1284 C GLU A 136 24.894 10.750 11.222 1.00 34.89 C ATOM 1285 O GLU A 136 24.855 11.208 10.059 1.00 36.00 O ATOM 1286 CB GLU A 136 24.383 8.489 12.095 1.00 32.84 C ATOM 1287 CG GLU A 136 25.076 7.838 10.916 1.00 31.89 C ATOM 1288 CD GLU A 136 25.377 6.401 11.238 1.00 35.09 C ATOM 1289 OE1 GLU A 136 24.440 5.599 11.277 1.00 31.30 O ATOM 1290 OE2 GLU A 136 26.545 6.090 11.499 1.00 36.92 O ATOM 1291 OXT GLU A 136 25.871 10.999 11.942 1.00 36.90 O ATOM 1292 H GLU A 136 22.968 9.735 9.762 1.00 0.00 H TER 1293 GLU A 136 ATOM 1294 N MET B 1 6.983 18.073 -6.304 1.00 15.22 N ATOM 1295 CA MET B 1 5.955 17.017 -6.188 1.00 16.89 C ATOM 1296 C MET B 1 6.615 15.640 -6.215 1.00 17.24 C ATOM 1297 O MET B 1 7.490 15.377 -7.046 1.00 18.51 O ATOM 1298 CB MET B 1 4.951 17.141 -7.344 1.00 16.53 C ATOM 1299 CG MET B 1 3.748 16.150 -7.268 1.00 18.53 C ATOM 1300 SD MET B 1 2.609 16.484 -8.639 1.00 20.86 S ATOM 1301 CE MET B 1 1.968 18.090 -8.148 1.00 23.88 C ATOM 1302 HN3 MET B 1 7.498 17.957 -7.200 1.00 0.00 H ATOM 1303 HN2 MET B 1 7.648 17.996 -5.508 1.00 0.00 H ATOM 1304 HN1 MET B 1 6.524 19.006 -6.285 1.00 0.00 H ATOM 1305 N ARG B 2 6.220 14.782 -5.276 1.00 18.13 N ATOM 1306 CA ARG B 2 6.772 13.426 -5.171 1.00 17.46 C ATOM 1307 C ARG B 2 5.632 12.451 -5.357 1.00 17.25 C ATOM 1308 O ARG B 2 4.576 12.589 -4.704 1.00 18.26 O ATOM 1309 CB ARG B 2 7.478 13.253 -3.808 1.00 17.92 C ATOM 1310 CG ARG B 2 8.036 11.817 -3.545 1.00 21.07 C ATOM 1311 CD ARG B 2 9.466 11.691 -4.047 1.00 25.80 C ATOM 1312 NE ARG B 2 9.978 10.306 -4.059 1.00 27.00 N ATOM 1313 CZ ARG B 2 11.254 10.012 -4.298 1.00 24.43 C ATOM 1314 NH1 ARG B 2 12.119 11.005 -4.493 1.00 22.16 N ATOM 1315 NH2 ARG B 2 11.667 8.744 -4.330 1.00 21.93 N ATOM 1316 HE ARG B 2 9.314 9.528 -3.873 1.00 0.00 H ATOM 1317 HH12 ARG B 2 13.120 10.793 -4.681 1.00 0.00 H ATOM 1318 HH11 ARG B 2 11.794 11.992 -4.457 1.00 0.00 H ATOM 1319 HH22 ARG B 2 12.667 8.527 -4.518 1.00 0.00 H ATOM 1320 HH21 ARG B 2 10.989 7.972 -4.167 1.00 0.00 H ATOM 1321 H ARG B 2 5.495 15.083 -4.594 1.00 0.00 H ATOM 1322 N LEU B 3 5.810 11.460 -6.240 1.00 16.62 N ATOM 1323 CA LEU B 3 4.712 10.515 -6.578 1.00 16.86 C ATOM 1324 C LEU B 3 5.235 9.102 -6.452 1.00 16.50 C ATOM 1325 O LEU B 3 6.426 8.846 -6.682 1.00 17.49 O ATOM 1326 CB LEU B 3 4.200 10.705 -8.029 1.00 15.60 C ATOM 1327 CG LEU B 3 3.863 12.108 -8.581 1.00 18.52 C ATOM 1328 CD1 LEU B 3 3.498 12.012 -10.057 1.00 21.92 C ATOM 1329 CD2 LEU B 3 2.676 12.629 -7.864 1.00 17.31 C ATOM 1330 H LEU B 3 6.736 11.349 -6.700 1.00 0.00 H ATOM 1331 N LEU B 4 4.341 8.204 -6.085 1.00 16.04 N ATOM 1332 CA LEU B 4 4.590 6.763 -6.054 1.00 15.42 C ATOM 1333 C LEU B 4 3.522 6.124 -6.927 1.00 16.61 C ATOM 1334 O LEU B 4 2.302 6.290 -6.664 1.00 16.54 O ATOM 1335 CB LEU B 4 4.540 6.229 -4.602 1.00 16.62 C ATOM 1336 CG LEU B 4 4.835 4.727 -4.317 1.00 15.87 C ATOM 1337 CD1 LEU B 4 6.316 4.413 -4.579 1.00 18.77 C ATOM 1338 CD2 LEU B 4 4.442 4.357 -2.828 1.00 18.56 C ATOM 1339 H LEU B 4 3.400 8.542 -5.800 1.00 0.00 H ATOM 1340 N TYR B 5 3.979 5.459 -7.996 1.00 17.34 N ATOM 1341 CA TYR B 5 3.082 4.757 -8.968 1.00 18.56 C ATOM 1342 C TYR B 5 2.924 3.300 -8.579 1.00 18.40 C ATOM 1343 O TYR B 5 3.911 2.521 -8.649 1.00 20.40 O ATOM 1344 CB TYR B 5 3.678 4.790 -10.366 1.00 16.84 C ATOM 1345 CG TYR B 5 3.827 6.155 -11.023 1.00 19.47 C ATOM 1346 CD1 TYR B 5 3.221 7.314 -10.500 1.00 16.29 C ATOM 1347 CD2 TYR B 5 4.558 6.274 -12.197 1.00 20.54 C ATOM 1348 CE1 TYR B 5 3.402 8.559 -11.139 1.00 17.37 C ATOM 1349 CE2 TYR B 5 4.722 7.505 -12.846 1.00 20.05 C ATOM 1350 CZ TYR B 5 4.117 8.628 -12.322 1.00 19.80 C ATOM 1351 OH TYR B 5 4.303 9.818 -12.975 1.00 17.97 O ATOM 1352 HH TYR B 5 5.269 10.032 -13.000 1.00 0.00 H ATOM 1353 H TYR B 5 5.006 5.429 -8.159 1.00 0.00 H ATOM 1354 N LEU B 6 1.720 2.918 -8.167 1.00 19.38 N ATOM 1355 CA LEU B 6 1.441 1.512 -7.842 1.00 20.97 C ATOM 1356 C LEU B 6 0.449 0.920 -8.804 1.00 22.38 C ATOM 1357 O LEU B 6 -0.724 1.316 -8.797 1.00 23.35 O ATOM 1358 CB LEU B 6 0.927 1.343 -6.398 1.00 20.64 C ATOM 1359 CG LEU B 6 1.830 1.926 -5.293 1.00 21.55 C ATOM 1360 CD1 LEU B 6 1.219 1.633 -3.913 1.00 22.65 C ATOM 1361 CD2 LEU B 6 3.283 1.474 -5.343 1.00 20.95 C ATOM 1362 H LEU B 6 0.963 3.625 -8.073 1.00 0.00 H ATOM 1363 N HIS B 7 0.909 -0.029 -9.620 1.00 23.53 N ATOM 1364 CA HIS B 7 0.013 -0.724 -10.532 1.00 23.92 C ATOM 1365 C HIS B 7 -0.739 -1.781 -9.740 1.00 25.03 C ATOM 1366 O HIS B 7 -0.144 -2.775 -9.292 1.00 26.09 O ATOM 1367 CB HIS B 7 0.799 -1.336 -11.674 1.00 23.72 C ATOM 1368 CG HIS B 7 -0.056 -1.839 -12.789 1.00 24.09 C ATOM 1369 ND1 HIS B 7 0.472 -2.487 -13.885 1.00 25.10 N ATOM 1370 CD2 HIS B 7 -1.394 -1.779 -12.986 1.00 24.02 C ATOM 1371 CE1 HIS B 7 -0.510 -2.800 -14.711 1.00 25.74 C ATOM 1372 NE2 HIS B 7 -1.650 -2.402 -14.178 1.00 24.11 N ATOM 1373 H HIS B 7 1.919 -0.275 -9.604 1.00 0.00 H ATOM 1374 N ALA B 8 -2.027 -1.556 -9.543 1.00 24.25 N ATOM 1375 CA ALA B 8 -2.848 -2.401 -8.708 1.00 25.90 C ATOM 1376 C ALA B 8 -3.758 -3.318 -9.521 1.00 27.58 C ATOM 1377 O ALA B 8 -4.202 -2.947 -10.606 1.00 26.88 O ATOM 1378 CB ALA B 8 -3.670 -1.573 -7.769 1.00 25.15 C ATOM 1379 H ALA B 8 -2.467 -0.737 -10.009 1.00 0.00 H ATOM 1380 N ASP B 9 -3.988 -4.531 -9.008 1.00 28.49 N ATOM 1381 CA ASP B 9 -5.070 -5.385 -9.483 1.00 29.99 C ATOM 1382 C ASP B 9 -6.431 -4.881 -9.007 1.00 29.63 C ATOM 1383 O ASP B 9 -7.439 -5.122 -9.661 1.00 29.65 O ATOM 1384 CB ASP B 9 -4.909 -6.821 -8.973 1.00 30.91 C ATOM 1385 CG ASP B 9 -3.821 -7.568 -9.687 1.00 33.43 C ATOM 1386 OD1 ASP B 9 -3.757 -7.503 -10.930 1.00 35.20 O ATOM 1387 OD2 ASP B 9 -3.036 -8.233 -8.989 1.00 39.18 O ATOM 1388 H ASP B 9 -3.374 -4.877 -8.244 1.00 0.00 H ATOM 1389 N ARG B 10 -6.449 -4.228 -7.851 1.00 29.09 N ATOM 1390 CA ARG B 10 -7.641 -3.638 -7.258 1.00 28.99 C ATOM 1391 C ARG B 10 -7.201 -2.611 -6.221 1.00 28.52 C ATOM 1392 O ARG B 10 -6.090 -2.701 -5.683 1.00 27.69 O ATOM 1393 CB ARG B 10 -8.511 -4.696 -6.558 1.00 30.60 C ATOM 1394 CG ARG B 10 -7.730 -5.629 -5.626 1.00 34.60 C ATOM 1395 CD ARG B 10 -8.589 -6.400 -4.585 1.00 41.31 C ATOM 1396 NE ARG B 10 -7.788 -6.766 -3.399 1.00 44.23 N ATOM 1397 CZ ARG B 10 -7.457 -5.924 -2.406 1.00 44.54 C ATOM 1398 NH1 ARG B 10 -7.853 -4.656 -2.420 1.00 47.67 N ATOM 1399 NH2 ARG B 10 -6.728 -6.343 -1.392 1.00 43.73 N ATOM 1400 HE ARG B 10 -7.456 -7.749 -3.327 1.00 0.00 H ATOM 1401 HH12 ARG B 10 -7.587 -4.019 -1.642 1.00 0.00 H ATOM 1402 HH11 ARG B 10 -8.429 -4.300 -3.209 1.00 0.00 H ATOM 1403 HH22 ARG B 10 -6.475 -5.686 -0.627 1.00 0.00 H ATOM 1404 HH21 ARG B 10 -6.405 -7.331 -1.357 1.00 0.00 H ATOM 1405 H ARG B 10 -5.552 -4.131 -7.334 1.00 0.00 H ATOM 1406 N PHE B 11 -8.078 -1.657 -5.932 1.00 27.24 N ATOM 1407 CA PHE B 11 -7.808 -0.589 -4.980 1.00 26.62 C ATOM 1408 C PHE B 11 -9.110 -0.102 -4.429 1.00 26.81 C ATOM 1409 O PHE B 11 -10.080 -0.024 -5.165 1.00 27.72 O ATOM 1410 CB PHE B 11 -7.090 0.603 -5.628 1.00 26.02 C ATOM 1411 CG PHE B 11 -6.734 1.716 -4.643 1.00 24.50 C ATOM 1412 CD1 PHE B 11 -5.747 1.526 -3.684 1.00 26.79 C ATOM 1413 CD2 PHE B 11 -7.357 2.954 -4.701 1.00 22.24 C ATOM 1414 CE1 PHE B 11 -5.380 2.565 -2.775 1.00 23.92 C ATOM 1415 CE2 PHE B 11 -7.012 3.990 -3.805 1.00 21.54 C ATOM 1416 CZ PHE B 11 -6.011 3.789 -2.842 1.00 24.22 C ATOM 1417 H PHE B 11 -9.002 -1.673 -6.409 1.00 0.00 H ATOM 1418 N GLU B 12 -9.131 0.231 -3.146 1.00 26.86 N ATOM 1419 CA GLU B 12 -10.297 0.849 -2.523 1.00 27.18 C ATOM 1420 C GLU B 12 -9.838 1.633 -1.335 1.00 26.86 C ATOM 1421 O GLU B 12 -8.790 1.328 -0.734 1.00 25.78 O ATOM 1422 CB GLU B 12 -11.358 -0.179 -2.087 1.00 28.70 C ATOM 1423 CG GLU B 12 -10.795 -1.332 -1.285 1.00 32.74 C ATOM 1424 CD GLU B 12 -11.866 -2.226 -0.644 1.00 39.42 C ATOM 1425 OE1 GLU B 12 -12.636 -1.747 0.216 1.00 43.21 O ATOM 1426 OE2 GLU B 12 -11.915 -3.429 -0.990 1.00 42.25 O ATOM 1427 H GLU B 12 -8.289 0.046 -2.564 1.00 0.00 H ATOM 1428 N TYR B 13 -10.607 2.665 -1.022 1.00 25.82 N ATOM 1429 CA TYR B 13 -10.372 3.536 0.076 1.00 25.49 C ATOM 1430 C TYR B 13 -11.710 4.039 0.642 1.00 26.89 C ATOM 1431 O TYR B 13 -12.757 4.026 -0.021 1.00 25.52 O ATOM 1432 CB TYR B 13 -9.507 4.739 -0.360 1.00 26.64 C ATOM 1433 CG TYR B 13 -10.280 5.743 -1.210 1.00 23.67 C ATOM 1434 CD1 TYR B 13 -10.260 5.652 -2.620 1.00 24.98 C ATOM 1435 CD2 TYR B 13 -11.039 6.756 -0.609 1.00 24.14 C ATOM 1436 CE1 TYR B 13 -10.973 6.548 -3.411 1.00 25.36 C ATOM 1437 CE2 TYR B 13 -11.785 7.652 -1.403 1.00 26.08 C ATOM 1438 CZ TYR B 13 -11.730 7.545 -2.795 1.00 24.92 C ATOM 1439 OH TYR B 13 -12.456 8.423 -3.573 1.00 23.04 O ATOM 1440 HH TYR B 13 -12.309 8.214 -4.529 1.00 0.00 H ATOM 1441 H TYR B 13 -11.438 2.850 -1.619 1.00 0.00 H ATOM 1442 N LYS B 14 -11.642 4.519 1.868 1.00 26.80 N ATOM 1443 CA LYS B 14 -12.762 5.123 2.529 1.00 29.21 C ATOM 1444 C LYS B 14 -12.178 6.162 3.461 1.00 28.71 C ATOM 1445 O LYS B 14 -11.241 5.865 4.201 1.00 28.68 O ATOM 1446 CB LYS B 14 -13.492 4.053 3.353 1.00 29.63 C ATOM 1447 CG LYS B 14 -14.589 4.605 4.273 1.00 35.07 C ATOM 1448 CD LYS B 14 -15.261 3.502 5.128 1.00 41.18 C ATOM 1449 CE LYS B 14 -16.035 2.486 4.251 1.00 44.75 C ATOM 1450 NZ LYS B 14 -15.139 1.569 3.438 1.00 45.20 N ATOM 1451 HZ1 LYS B 14 -14.548 2.140 2.801 1.00 0.00 H ATOM 1452 HZ2 LYS B 14 -14.531 1.022 4.080 1.00 0.00 H ATOM 1453 HZ3 LYS B 14 -15.727 0.919 2.878 1.00 0.00 H ATOM 1454 H LYS B 14 -10.737 4.457 2.377 1.00 0.00 H ATOM 1455 N THR B 15 -12.727 7.371 3.411 1.00 28.81 N ATOM 1456 CA THR B 15 -12.367 8.428 4.333 1.00 29.01 C ATOM 1457 C THR B 15 -12.911 8.010 5.679 1.00 30.43 C ATOM 1458 O THR B 15 -13.909 7.283 5.744 1.00 30.45 O ATOM 1459 CB THR B 15 -12.976 9.788 3.947 1.00 29.25 C ATOM 1460 OG1 THR B 15 -14.389 9.655 3.790 1.00 28.94 O ATOM 1461 CG2 THR B 15 -12.388 10.318 2.644 1.00 28.64 C ATOM 1462 HG1 THR B 15 -14.787 9.346 4.642 1.00 0.00 H ATOM 1463 H THR B 15 -13.443 7.566 2.682 1.00 0.00 H ATOM 1464 N VAL B 16 -12.224 8.439 6.738 1.00 30.70 N ATOM 1465 CA VAL B 16 -12.619 8.166 8.117 1.00 30.35 C ATOM 1466 C VAL B 16 -12.696 9.539 8.798 1.00 30.86 C ATOM 1467 O VAL B 16 -13.549 10.383 8.427 1.00 31.76 O ATOM 1468 CB VAL B 16 -11.638 7.197 8.816 1.00 29.89 C ATOM 1469 CG1 VAL B 16 -12.185 6.754 10.188 1.00 30.80 C ATOM 1470 CG2 VAL B 16 -11.391 5.973 7.946 1.00 31.18 C ATOM 1471 H VAL B 16 -11.362 8.997 6.573 1.00 0.00 H ATOM 1472 N LYS B 17 -11.814 9.814 9.750 1.00 30.01 N ATOM 1473 CA LYS B 17 -11.871 11.100 10.412 1.00 30.27 C ATOM 1474 C LYS B 17 -11.295 12.211 9.547 1.00 31.09 C ATOM 1475 O LYS B 17 -10.348 11.977 8.790 1.00 29.02 O ATOM 1476 CB LYS B 17 -11.149 11.053 11.753 1.00 31.00 C ATOM 1477 CG LYS B 17 -11.821 10.096 12.785 1.00 32.90 C ATOM 1478 CD LYS B 17 -10.889 9.844 13.970 1.00 40.11 C ATOM 1479 CE LYS B 17 -11.297 10.665 15.177 1.00 43.76 C ATOM 1480 NZ LYS B 17 -12.248 9.852 15.972 1.00 47.47 N ATOM 1481 HZ1 LYS B 17 -13.079 9.625 15.390 1.00 0.00 H ATOM 1482 HZ2 LYS B 17 -11.783 8.972 16.272 1.00 0.00 H ATOM 1483 HZ3 LYS B 17 -12.547 10.391 16.810 1.00 0.00 H ATOM 1484 H LYS B 17 -11.092 9.115 10.017 1.00 0.00 H ATOM 1485 N PRO B 18 -11.872 13.422 9.654 1.00 31.32 N ATOM 1486 CA PRO B 18 -11.222 14.576 9.028 1.00 32.19 C ATOM 1487 C PRO B 18 -9.793 14.744 9.591 1.00 32.80 C ATOM 1488 O PRO B 18 -9.581 14.620 10.807 1.00 32.93 O ATOM 1489 CB PRO B 18 -12.120 15.752 9.434 1.00 31.56 C ATOM 1490 CG PRO B 18 -12.799 15.301 10.710 1.00 31.30 C ATOM 1491 CD PRO B 18 -12.984 13.821 10.546 1.00 31.62 C ATOM 1492 N ALA B 19 -8.834 14.997 8.704 1.00 32.94 N ATOM 1493 CA ALA B 19 -7.425 15.138 9.072 1.00 33.47 C ATOM 1494 C ALA B 19 -7.041 16.597 9.137 1.00 34.17 C ATOM 1495 O ALA B 19 -5.948 16.940 9.575 1.00 34.43 O ATOM 1496 CB ALA B 19 -6.523 14.410 8.049 1.00 33.14 C ATOM 1497 H ALA B 19 -9.098 15.099 7.703 1.00 0.00 H ATOM 1498 N LEU B 20 -7.923 17.452 8.634 1.00 34.97 N ATOM 1499 CA LEU B 20 -7.746 18.906 8.673 1.00 36.26 C ATOM 1500 C LEU B 20 -8.979 19.457 9.383 1.00 37.11 C ATOM 1501 O LEU B 20 -10.057 18.848 9.339 1.00 36.57 O ATOM 1502 CB LEU B 20 -7.675 19.515 7.248 1.00 36.15 C ATOM 1503 CG LEU B 20 -6.524 19.205 6.268 1.00 36.62 C ATOM 1504 CD1 LEU B 20 -6.798 19.765 4.869 1.00 36.36 C ATOM 1505 CD2 LEU B 20 -5.231 19.757 6.787 1.00 37.47 C ATOM 1506 H LEU B 20 -8.783 17.071 8.190 1.00 0.00 H ATOM 1507 N LYS B 21 -8.820 20.608 10.007 1.00 38.53 N ATOM 1508 CA LYS B 21 -9.948 21.298 10.645 1.00 40.73 C ATOM 1509 C LYS B 21 -11.228 21.235 9.793 1.00 40.88 C ATOM 1510 O LYS B 21 -12.273 20.735 10.252 1.00 41.36 O ATOM 1511 CB LYS B 21 -9.570 22.749 10.931 1.00 41.29 C ATOM 1512 CG LYS B 21 -10.607 23.476 11.778 1.00 44.66 C ATOM 1513 CD LYS B 21 -10.299 23.355 13.269 1.00 50.58 C ATOM 1514 CE LYS B 21 -11.478 23.866 14.122 1.00 53.39 C ATOM 1515 NZ LYS B 21 -11.978 25.205 13.657 1.00 54.79 N ATOM 1516 HZ1 LYS B 21 -11.208 25.902 13.719 1.00 0.00 H ATOM 1517 HZ2 LYS B 21 -12.301 25.130 12.671 1.00 0.00 H ATOM 1518 HZ3 LYS B 21 -12.770 25.507 14.260 1.00 0.00 H ATOM 1519 H LYS B 21 -7.873 21.037 10.048 1.00 0.00 H ATOM 1520 N ASN B 22 -11.127 21.709 8.548 1.00 40.68 N ATOM 1521 CA ASN B 22 -12.214 21.603 7.574 1.00 40.18 C ATOM 1522 C ASN B 22 -11.744 21.053 6.196 1.00 38.75 C ATOM 1523 O ASN B 22 -11.272 21.825 5.346 1.00 38.37 O ATOM 1524 CB ASN B 22 -12.863 22.979 7.385 1.00 41.40 C ATOM 1525 CG ASN B 22 -13.344 23.594 8.695 1.00 43.56 C ATOM 1526 OD1 ASN B 22 -14.366 23.171 9.262 1.00 46.23 O ATOM 1527 ND2 ASN B 22 -12.627 24.613 9.167 1.00 44.66 N ATOM 1528 HD22 ASN B 22 -11.778 24.932 8.657 1.00 0.00 H ATOM 1529 HD21 ASN B 22 -12.916 25.089 10.045 1.00 0.00 H ATOM 1530 H ASN B 22 -10.241 22.171 8.260 1.00 0.00 H ATOM 1531 N PRO B 23 -11.864 19.724 5.974 1.00 37.11 N ATOM 1532 CA PRO B 23 -11.465 19.162 4.679 1.00 35.63 C ATOM 1533 C PRO B 23 -12.187 19.827 3.498 1.00 35.13 C ATOM 1534 O PRO B 23 -13.421 19.981 3.536 1.00 34.80 O ATOM 1535 CB PRO B 23 -11.879 17.701 4.784 1.00 35.26 C ATOM 1536 CG PRO B 23 -11.900 17.415 6.252 1.00 36.02 C ATOM 1537 CD PRO B 23 -12.324 18.683 6.911 1.00 36.79 C ATOM 1538 N PRO B 24 -11.425 20.230 2.459 1.00 33.53 N ATOM 1539 CA PRO B 24 -12.001 20.948 1.326 1.00 33.11 C ATOM 1540 C PRO B 24 -12.805 20.047 0.361 1.00 32.33 C ATOM 1541 O PRO B 24 -13.502 20.563 -0.507 1.00 32.98 O ATOM 1542 CB PRO B 24 -10.768 21.570 0.648 1.00 33.11 C ATOM 1543 CG PRO B 24 -9.660 20.586 0.921 1.00 32.68 C ATOM 1544 CD PRO B 24 -9.955 20.106 2.343 1.00 33.99 C ATOM 1545 N ASP B 25 -12.710 18.729 0.505 1.00 30.57 N ATOM 1546 CA ASP B 25 -13.553 17.811 -0.259 1.00 30.85 C ATOM 1547 C ASP B 25 -14.475 17.065 0.705 1.00 31.26 C ATOM 1548 O ASP B 25 -14.107 16.864 1.861 1.00 30.97 O ATOM 1549 CB ASP B 25 -12.710 16.800 -1.049 1.00 30.15 C ATOM 1550 CG ASP B 25 -11.694 17.464 -1.968 1.00 30.50 C ATOM 1551 OD1 ASP B 25 -12.072 18.374 -2.743 1.00 27.29 O ATOM 1552 OD2 ASP B 25 -10.509 17.055 -1.951 1.00 28.88 O ATOM 1553 H ASP B 25 -12.019 18.341 1.178 1.00 0.00 H ATOM 1554 N PRO B 26 -15.671 16.656 0.240 1.00 31.95 N ATOM 1555 CA PRO B 26 -16.572 15.839 1.058 1.00 31.98 C ATOM 1556 C PRO B 26 -16.046 14.397 1.249 1.00 31.97 C ATOM 1557 O PRO B 26 -15.122 13.970 0.515 1.00 31.92 O ATOM 1558 CB PRO B 26 -17.891 15.835 0.269 1.00 32.83 C ATOM 1559 CG PRO B 26 -17.575 16.254 -1.095 1.00 33.14 C ATOM 1560 CD PRO B 26 -16.147 16.779 -1.153 1.00 32.85 C ATOM 1561 N PRO B 27 -16.586 13.670 2.259 1.00 30.98 N ATOM 1562 CA PRO B 27 -16.107 12.316 2.560 1.00 30.34 C ATOM 1563 C PRO B 27 -16.553 11.339 1.483 1.00 30.28 C ATOM 1564 O PRO B 27 -17.471 11.642 0.712 1.00 29.08 O ATOM 1565 CB PRO B 27 -16.769 11.995 3.916 1.00 30.30 C ATOM 1566 CG PRO B 27 -18.001 12.882 3.939 1.00 31.57 C ATOM 1567 CD PRO B 27 -17.600 14.138 3.232 1.00 31.02 C ATOM 1568 N GLY B 28 -15.920 10.177 1.410 1.00 30.27 N ATOM 1569 CA GLY B 28 -16.403 9.201 0.471 1.00 29.98 C ATOM 1570 C GLY B 28 -15.664 7.914 0.405 1.00 29.70 C ATOM 1571 O GLY B 28 -14.766 7.651 1.168 1.00 30.01 O ATOM 1572 H GLY B 28 -15.098 9.977 2.014 1.00 0.00 H ATOM 1573 N GLU B 29 -16.053 7.097 -0.540 1.00 29.59 N ATOM 1574 CA GLU B 29 -15.391 5.839 -0.719 1.00 30.65 C ATOM 1575 C GLU B 29 -15.523 5.422 -2.167 1.00 30.43 C ATOM 1576 O GLU B 29 -16.509 5.762 -2.832 1.00 30.14 O ATOM 1577 CB GLU B 29 -15.992 4.792 0.230 1.00 31.51 C ATOM 1578 CG GLU B 29 -17.453 4.478 0.046 1.00 35.22 C ATOM 1579 CD GLU B 29 -17.760 3.076 0.585 1.00 42.95 C ATOM 1580 OE1 GLU B 29 -17.573 2.097 -0.190 1.00 45.14 O ATOM 1581 OE2 GLU B 29 -18.155 2.950 1.782 1.00 42.94 O ATOM 1582 H GLU B 29 -16.844 7.361 -1.162 1.00 0.00 H ATOM 1583 N ALA B 30 -14.528 4.709 -2.663 1.00 29.82 N ATOM 1584 CA ALA B 30 -14.611 4.148 -3.984 1.00 30.01 C ATOM 1585 C ALA B 30 -13.758 2.921 -4.048 1.00 29.78 C ATOM 1586 O ALA B 30 -12.845 2.755 -3.237 1.00 30.27 O ATOM 1587 CB ALA B 30 -14.174 5.176 -5.046 1.00 30.40 C ATOM 1588 H ALA B 30 -13.674 4.551 -2.091 1.00 0.00 H ATOM 1589 N SER B 31 -14.032 2.058 -5.017 1.00 29.99 N ATOM 1590 CA SER B 31 -13.175 0.908 -5.237 1.00 30.28 C ATOM 1591 C SER B 31 -13.023 0.708 -6.718 1.00 29.35 C ATOM 1592 O SER B 31 -13.902 1.110 -7.485 1.00 29.21 O ATOM 1593 CB SER B 31 -13.744 -0.353 -4.549 1.00 31.21 C ATOM 1594 OG SER B 31 -14.761 -0.975 -5.307 1.00 35.62 O ATOM 1595 HG SER B 31 -14.396 -1.247 -6.186 1.00 0.00 H ATOM 1596 H SER B 31 -14.865 2.206 -5.622 1.00 0.00 H ATOM 1597 N PHE B 32 -11.930 0.068 -7.115 1.00 28.03 N ATOM 1598 CA PHE B 32 -11.561 -0.074 -8.520 1.00 27.80 C ATOM 1599 C PHE B 32 -10.979 -1.422 -8.782 1.00 27.68 C ATOM 1600 O PHE B 32 -10.538 -2.105 -7.848 1.00 28.31 O ATOM 1601 CB PHE B 32 -10.538 1.013 -8.886 1.00 26.88 C ATOM 1602 CG PHE B 32 -10.963 2.369 -8.447 1.00 26.71 C ATOM 1603 CD1 PHE B 32 -10.725 2.792 -7.135 1.00 26.17 C ATOM 1604 CD2 PHE B 32 -11.685 3.212 -9.313 1.00 24.17 C ATOM 1605 CE1 PHE B 32 -11.148 4.060 -6.684 1.00 25.93 C ATOM 1606 CE2 PHE B 32 -12.123 4.485 -8.867 1.00 24.65 C ATOM 1607 CZ PHE B 32 -11.852 4.907 -7.563 1.00 23.38 C ATOM 1608 H PHE B 32 -11.309 -0.351 -6.393 1.00 0.00 H ATOM 1609 N GLY B 33 -10.944 -1.795 -10.060 1.00 28.11 N ATOM 1610 CA GLY B 33 -10.199 -2.971 -10.514 1.00 27.42 C ATOM 1611 C GLY B 33 -8.808 -2.522 -10.910 1.00 26.86 C ATOM 1612 O GLY B 33 -8.221 -1.694 -10.202 1.00 27.49 O ATOM 1613 H GLY B 33 -11.465 -1.230 -10.761 1.00 0.00 H ATOM 1614 N GLU B 34 -8.275 -3.029 -12.028 1.00 25.88 N ATOM 1615 CA GLU B 34 -6.906 -2.704 -12.430 1.00 27.25 C ATOM 1616 C GLU B 34 -6.742 -1.207 -12.653 1.00 27.14 C ATOM 1617 O GLU B 34 -7.411 -0.630 -13.522 1.00 27.94 O ATOM 1618 CB GLU B 34 -6.492 -3.459 -13.698 1.00 27.74 C ATOM 1619 CG GLU B 34 -5.013 -3.193 -14.096 1.00 31.43 C ATOM 1620 CD GLU B 34 -4.558 -3.862 -15.412 1.00 38.39 C ATOM 1621 OE1 GLU B 34 -5.344 -4.650 -16.000 1.00 43.16 O ATOM 1622 OE2 GLU B 34 -3.405 -3.626 -15.858 1.00 37.52 O ATOM 1623 H GLU B 34 -8.844 -3.665 -12.622 1.00 0.00 H ATOM 1624 N ALA B 35 -5.828 -0.583 -11.902 1.00 25.87 N ATOM 1625 CA ALA B 35 -5.596 0.878 -12.012 1.00 24.85 C ATOM 1626 C ALA B 35 -4.157 1.183 -11.688 1.00 25.10 C ATOM 1627 O ALA B 35 -3.493 0.368 -10.996 1.00 25.22 O ATOM 1628 CB ALA B 35 -6.487 1.593 -11.090 1.00 23.57 C ATOM 1629 H ALA B 35 -5.266 -1.136 -11.224 1.00 0.00 H ATOM 1630 N LEU B 36 -3.668 2.314 -12.197 1.00 24.13 N ATOM 1631 CA LEU B 36 -2.432 2.916 -11.677 1.00 23.67 C ATOM 1632 C LEU B 36 -2.817 3.816 -10.494 1.00 23.04 C ATOM 1633 O LEU B 36 -3.559 4.806 -10.665 1.00 22.98 O ATOM 1634 CB LEU B 36 -1.689 3.720 -12.752 1.00 22.62 C ATOM 1635 CG LEU B 36 -0.427 4.447 -12.282 1.00 23.46 C ATOM 1636 CD1 LEU B 36 0.599 3.431 -11.876 1.00 24.61 C ATOM 1637 CD2 LEU B 36 0.122 5.332 -13.355 1.00 22.98 C ATOM 1638 H LEU B 36 -4.172 2.780 -12.978 1.00 0.00 H ATOM 1639 N VAL B 37 -2.365 3.442 -9.290 1.00 21.37 N ATOM 1640 CA VAL B 37 -2.650 4.244 -8.084 1.00 20.91 C ATOM 1641 C VAL B 37 -1.460 5.183 -7.837 1.00 20.32 C ATOM 1642 O VAL B 37 -0.343 4.721 -7.620 1.00 21.26 O ATOM 1643 CB VAL B 37 -3.026 3.357 -6.830 1.00 20.45 C ATOM 1644 CG1 VAL B 37 -3.516 4.227 -5.659 1.00 19.55 C ATOM 1645 CG2 VAL B 37 -4.109 2.318 -7.216 1.00 22.19 C ATOM 1646 H VAL B 37 -1.803 2.571 -9.203 1.00 0.00 H ATOM 1647 N VAL B 38 -1.700 6.493 -7.936 1.00 20.68 N ATOM 1648 CA VAL B 38 -0.653 7.547 -7.868 1.00 18.48 C ATOM 1649 C VAL B 38 -0.790 8.252 -6.500 1.00 18.43 C ATOM 1650 O VAL B 38 -1.652 9.159 -6.280 1.00 16.72 O ATOM 1651 CB VAL B 38 -0.729 8.563 -9.099 1.00 19.09 C ATOM 1652 CG1 VAL B 38 0.427 9.604 -9.051 1.00 16.45 C ATOM 1653 CG2 VAL B 38 -0.779 7.805 -10.451 1.00 16.56 C ATOM 1654 H VAL B 38 -2.686 6.797 -8.070 1.00 0.00 H ATOM 1655 N PHE B 39 0.017 7.772 -5.548 1.00 17.73 N ATOM 1656 CA PHE B 39 0.148 8.419 -4.247 1.00 17.97 C ATOM 1657 C PHE B 39 0.862 9.725 -4.494 1.00 17.38 C ATOM 1658 O PHE B 39 2.018 9.735 -4.955 1.00 17.36 O ATOM 1659 CB PHE B 39 0.919 7.505 -3.273 1.00 18.01 C ATOM 1660 CG PHE B 39 0.087 6.355 -2.751 1.00 21.61 C ATOM 1661 CD1 PHE B 39 -0.235 6.271 -1.409 1.00 23.78 C ATOM 1662 CD2 PHE B 39 -0.376 5.362 -3.598 1.00 25.91 C ATOM 1663 CE1 PHE B 39 -1.024 5.196 -0.894 1.00 25.58 C ATOM 1664 CE2 PHE B 39 -1.179 4.304 -3.092 1.00 27.85 C ATOM 1665 CZ PHE B 39 -1.511 4.242 -1.747 1.00 25.58 C ATOM 1666 H PHE B 39 0.568 6.911 -5.741 1.00 0.00 H ATOM 1667 N THR B 40 0.189 10.839 -4.184 1.00 16.45 N ATOM 1668 CA THR B 40 0.660 12.167 -4.645 1.00 17.08 C ATOM 1669 C THR B 40 0.936 13.118 -3.473 1.00 16.79 C ATOM 1670 O THR B 40 0.001 13.449 -2.744 1.00 17.61 O ATOM 1671 CB THR B 40 -0.405 12.812 -5.552 1.00 15.94 C ATOM 1672 OG1 THR B 40 -0.698 11.933 -6.626 1.00 18.83 O ATOM 1673 CG2 THR B 40 0.072 14.156 -6.124 1.00 20.88 C ATOM 1674 HG1 THR B 40 -1.042 11.077 -6.266 1.00 0.00 H ATOM 1675 H THR B 40 -0.677 10.772 -3.612 1.00 0.00 H ATOM 1676 N THR B 41 2.201 13.507 -3.271 1.00 16.00 N ATOM 1677 CA THR B 41 2.568 14.433 -2.223 1.00 16.23 C ATOM 1678 C THR B 41 2.938 15.752 -2.902 1.00 17.68 C ATOM 1679 O THR B 41 3.944 15.849 -3.613 1.00 17.47 O ATOM 1680 CB THR B 41 3.796 13.930 -1.384 1.00 16.27 C ATOM 1681 OG1 THR B 41 3.474 12.709 -0.707 1.00 15.89 O ATOM 1682 CG2 THR B 41 4.163 14.956 -0.317 1.00 17.59 C ATOM 1683 HG1 THR B 41 2.709 12.863 -0.098 1.00 0.00 H ATOM 1684 H THR B 41 2.946 13.130 -3.890 1.00 0.00 H ATOM 1685 N VAL B 42 2.114 16.776 -2.675 1.00 18.00 N ATOM 1686 CA VAL B 42 2.405 18.118 -3.222 1.00 18.26 C ATOM 1687 C VAL B 42 3.461 18.801 -2.350 1.00 18.86 C ATOM 1688 O VAL B 42 3.366 18.787 -1.126 1.00 18.19 O ATOM 1689 CB VAL B 42 1.130 18.975 -3.317 1.00 18.12 C ATOM 1690 CG1 VAL B 42 1.429 20.327 -4.012 1.00 19.97 C ATOM 1691 CG2 VAL B 42 0.032 18.201 -4.064 1.00 16.93 C ATOM 1692 H VAL B 42 1.256 16.628 -2.106 1.00 0.00 H ATOM 1693 N GLU B 43 4.467 19.368 -3.000 1.00 19.87 N ATOM 1694 CA GLU B 43 5.612 19.954 -2.305 1.00 21.09 C ATOM 1695 C GLU B 43 5.626 21.464 -2.451 1.00 22.10 C ATOM 1696 O GLU B 43 5.050 22.001 -3.399 1.00 21.72 O ATOM 1697 CB GLU B 43 6.908 19.373 -2.852 1.00 20.14 C ATOM 1698 CG GLU B 43 7.021 17.868 -2.567 1.00 18.84 C ATOM 1699 CD GLU B 43 8.330 17.281 -3.058 1.00 20.49 C ATOM 1700 OE1 GLU B 43 8.695 17.504 -4.228 1.00 19.97 O ATOM 1701 OE2 GLU B 43 8.970 16.589 -2.278 1.00 21.59 O ATOM 1702 H GLU B 43 4.441 19.397 -4.039 1.00 0.00 H ATOM 1703 N ASP B 44 6.273 22.135 -1.505 1.00 24.89 N ATOM 1704 CA ASP B 44 6.323 23.606 -1.503 1.00 27.47 C ATOM 1705 C ASP B 44 6.946 24.032 -2.822 1.00 27.44 C ATOM 1706 O ASP B 44 7.943 23.451 -3.260 1.00 28.39 O ATOM 1707 CB ASP B 44 7.197 24.118 -0.368 1.00 29.73 C ATOM 1708 CG ASP B 44 7.343 25.670 -0.399 1.00 36.35 C ATOM 1709 OD1 ASP B 44 6.341 26.362 -0.073 1.00 43.42 O ATOM 1710 OD2 ASP B 44 8.421 26.186 -0.804 1.00 42.99 O ATOM 1711 H ASP B 44 6.755 21.609 -0.748 1.00 0.00 H ATOM 1712 N GLY B 45 6.371 25.012 -3.493 1.00 27.79 N ATOM 1713 CA GLY B 45 6.976 25.405 -4.776 1.00 28.72 C ATOM 1714 C GLY B 45 6.522 24.638 -6.020 1.00 27.25 C ATOM 1715 O GLY B 45 6.981 24.917 -7.152 1.00 28.08 O ATOM 1716 H GLY B 45 5.522 25.489 -3.129 1.00 0.00 H ATOM 1717 N ASP B 46 5.620 23.675 -5.836 1.00 26.10 N ATOM 1718 CA ASP B 46 4.932 23.088 -6.984 1.00 24.16 C ATOM 1719 C ASP B 46 4.042 24.171 -7.547 1.00 23.67 C ATOM 1720 O ASP B 46 3.350 24.857 -6.801 1.00 24.41 O ATOM 1721 CB ASP B 46 4.038 21.906 -6.564 1.00 22.40 C ATOM 1722 CG ASP B 46 4.838 20.664 -6.205 1.00 19.93 C ATOM 1723 OD1 ASP B 46 6.098 20.678 -6.356 1.00 17.57 O ATOM 1724 OD2 ASP B 46 4.217 19.650 -5.768 1.00 19.93 O ATOM 1725 H ASP B 46 5.405 23.341 -4.875 1.00 0.00 H ATOM 1726 N GLY B 47 4.044 24.301 -8.867 1.00 24.25 N ATOM 1727 CA GLY B 47 3.173 25.224 -9.571 1.00 23.16 C ATOM 1728 C GLY B 47 2.588 24.540 -10.801 1.00 25.55 C ATOM 1729 O GLY B 47 2.662 23.288 -10.965 1.00 23.52 O ATOM 1730 H GLY B 47 4.699 23.715 -9.423 1.00 0.00 H ATOM 1731 N PRO B 48 1.935 25.337 -11.663 1.00 26.27 N ATOM 1732 CA PRO B 48 1.281 24.793 -12.865 1.00 26.47 C ATOM 1733 C PRO B 48 2.239 24.002 -13.777 1.00 25.87 C ATOM 1734 O PRO B 48 1.869 22.980 -14.336 1.00 25.68 O ATOM 1735 CB PRO B 48 0.760 26.060 -13.570 1.00 26.77 C ATOM 1736 CG PRO B 48 0.363 26.963 -12.394 1.00 28.44 C ATOM 1737 CD PRO B 48 1.518 26.732 -11.382 1.00 26.96 C ATOM 1738 N GLN B 49 3.466 24.475 -13.916 1.00 26.14 N ATOM 1739 CA GLN B 49 4.455 23.772 -14.719 1.00 27.06 C ATOM 1740 C GLN B 49 4.691 22.358 -14.143 1.00 25.20 C ATOM 1741 O GLN B 49 4.673 21.356 -14.873 1.00 25.06 O ATOM 1742 CB GLN B 49 5.722 24.629 -14.720 1.00 28.41 C ATOM 1743 CG GLN B 49 6.911 24.068 -15.446 1.00 36.25 C ATOM 1744 CD GLN B 49 7.690 25.157 -16.203 1.00 45.35 C ATOM 1745 OE1 GLN B 49 7.081 26.107 -16.722 1.00 51.03 O ATOM 1746 NE2 GLN B 49 9.029 25.014 -16.288 1.00 44.90 N ATOM 1747 HE22 GLN B 49 9.495 24.201 -15.837 1.00 0.00 H ATOM 1748 HE21 GLN B 49 9.595 25.717 -16.805 1.00 0.00 H ATOM 1749 H GLN B 49 3.728 25.364 -13.444 1.00 0.00 H ATOM 1750 N THR B 50 4.939 22.285 -12.836 1.00 23.55 N ATOM 1751 CA THR B 50 5.142 21.017 -12.140 1.00 22.54 C ATOM 1752 C THR B 50 3.997 20.029 -12.411 1.00 21.83 C ATOM 1753 O THR B 50 4.234 18.848 -12.681 1.00 21.03 O ATOM 1754 CB THR B 50 5.283 21.259 -10.651 1.00 22.75 C ATOM 1755 OG1 THR B 50 6.453 22.079 -10.444 1.00 25.07 O ATOM 1756 CG2 THR B 50 5.464 19.919 -9.866 1.00 22.01 C ATOM 1757 HG1 THR B 50 6.341 22.938 -10.922 1.00 0.00 H ATOM 1758 H THR B 50 4.990 23.168 -12.288 1.00 0.00 H ATOM 1759 N VAL B 51 2.772 20.542 -12.333 1.00 20.83 N ATOM 1760 CA VAL B 51 1.557 19.747 -12.571 1.00 21.67 C ATOM 1761 C VAL B 51 1.576 19.177 -13.990 1.00 21.67 C ATOM 1762 O VAL B 51 1.295 17.964 -14.207 1.00 21.46 O ATOM 1763 CB VAL B 51 0.303 20.621 -12.345 1.00 22.21 C ATOM 1764 CG1 VAL B 51 -0.947 19.964 -12.874 1.00 24.00 C ATOM 1765 CG2 VAL B 51 0.122 20.939 -10.862 1.00 22.33 C ATOM 1766 H VAL B 51 2.669 21.549 -12.093 1.00 0.00 H ATOM 1767 N MET B 52 1.932 20.039 -14.946 1.00 20.90 N ATOM 1768 CA MET B 52 1.841 19.628 -16.331 1.00 22.54 C ATOM 1769 C MET B 52 2.857 18.523 -16.613 1.00 20.22 C ATOM 1770 O MET B 52 2.530 17.527 -17.291 1.00 20.66 O ATOM 1771 CB MET B 52 1.989 20.805 -17.315 1.00 22.30 C ATOM 1772 CG MET B 52 1.427 20.445 -18.747 1.00 29.82 C ATOM 1773 SD MET B 52 -0.402 19.994 -18.786 1.00 45.72 S ATOM 1774 CE MET B 52 -1.013 21.335 -17.712 1.00 35.97 C ATOM 1775 H MET B 52 2.270 20.991 -14.699 1.00 0.00 H ATOM 1776 N TYR B 53 4.072 18.662 -16.076 1.00 19.78 N ATOM 1777 CA TYR B 53 5.091 17.607 -16.243 1.00 19.10 C ATOM 1778 C TYR B 53 4.597 16.298 -15.634 1.00 18.61 C ATOM 1779 O TYR B 53 4.753 15.196 -16.212 1.00 17.68 O ATOM 1780 CB TYR B 53 6.393 17.991 -15.553 1.00 20.23 C ATOM 1781 CG TYR B 53 7.126 19.130 -16.202 1.00 21.31 C ATOM 1782 CD1 TYR B 53 7.353 19.164 -17.606 1.00 21.79 C ATOM 1783 CD2 TYR B 53 7.647 20.153 -15.426 1.00 22.64 C ATOM 1784 CE1 TYR B 53 8.030 20.231 -18.184 1.00 24.07 C ATOM 1785 CE2 TYR B 53 8.356 21.214 -16.015 1.00 24.49 C ATOM 1786 CZ TYR B 53 8.545 21.235 -17.388 1.00 23.66 C ATOM 1787 OH TYR B 53 9.234 22.314 -17.920 1.00 28.73 O ATOM 1788 HH TYR B 53 9.301 22.210 -18.902 1.00 0.00 H ATOM 1789 H TYR B 53 4.302 19.520 -15.536 1.00 0.00 H ATOM 1790 N ALA B 54 3.983 16.409 -14.444 1.00 18.74 N ATOM 1791 CA ALA B 54 3.535 15.214 -13.759 1.00 18.45 C ATOM 1792 C ALA B 54 2.405 14.542 -14.521 1.00 18.37 C ATOM 1793 O ALA B 54 2.436 13.304 -14.719 1.00 18.90 O ATOM 1794 CB ALA B 54 3.147 15.503 -12.297 1.00 17.54 C ATOM 1795 H ALA B 54 3.831 17.346 -14.018 1.00 0.00 H ATOM 1796 N ALA B 55 1.416 15.330 -14.952 1.00 19.46 N ATOM 1797 CA ALA B 55 0.337 14.825 -15.837 1.00 20.38 C ATOM 1798 C ALA B 55 0.866 14.087 -17.092 1.00 21.02 C ATOM 1799 O ALA B 55 0.451 12.959 -17.377 1.00 20.47 O ATOM 1800 CB ALA B 55 -0.608 15.953 -16.263 1.00 19.92 C ATOM 1801 H ALA B 55 1.402 16.328 -14.658 1.00 0.00 H ATOM 1802 N SER B 56 1.781 14.705 -17.829 1.00 21.72 N ATOM 1803 CA SER B 56 2.371 14.012 -18.980 1.00 23.28 C ATOM 1804 C SER B 56 3.047 12.674 -18.629 1.00 22.94 C ATOM 1805 O SER B 56 2.944 11.684 -19.394 1.00 23.54 O ATOM 1806 CB SER B 56 3.362 14.899 -19.709 1.00 23.27 C ATOM 1807 OG SER B 56 2.731 16.079 -20.146 1.00 29.59 O ATOM 1808 HG SER B 56 2.372 16.569 -19.364 1.00 0.00 H ATOM 1809 H SER B 56 2.078 15.673 -17.592 1.00 0.00 H ATOM 1810 N ASP B 57 3.747 12.625 -17.494 1.00 22.05 N ATOM 1811 CA ASP B 57 4.464 11.409 -17.123 1.00 21.35 C ATOM 1812 C ASP B 57 3.534 10.296 -16.709 1.00 20.88 C ATOM 1813 O ASP B 57 3.749 9.120 -17.067 1.00 20.30 O ATOM 1814 CB ASP B 57 5.432 11.683 -15.967 1.00 21.92 C ATOM 1815 CG ASP B 57 6.379 10.529 -15.732 1.00 23.25 C ATOM 1816 OD1 ASP B 57 7.373 10.419 -16.464 1.00 26.18 O ATOM 1817 OD2 ASP B 57 6.142 9.731 -14.833 1.00 22.16 O ATOM 1818 H ASP B 57 3.782 13.457 -16.871 1.00 0.00 H ATOM 1819 N ILE B 58 2.526 10.640 -15.904 1.00 20.38 N ATOM 1820 CA ILE B 58 1.515 9.665 -15.481 1.00 20.46 C ATOM 1821 C ILE B 58 0.849 9.062 -16.726 1.00 20.76 C ATOM 1822 O ILE B 58 0.621 7.843 -16.836 1.00 19.05 O ATOM 1823 CB ILE B 58 0.423 10.315 -14.551 1.00 20.13 C ATOM 1824 CG1 ILE B 58 1.012 10.661 -13.171 1.00 19.59 C ATOM 1825 CG2 ILE B 58 -0.746 9.342 -14.339 1.00 18.75 C ATOM 1826 CD1 ILE B 58 0.176 11.619 -12.384 1.00 20.53 C ATOM 1827 H ILE B 58 2.456 11.622 -15.569 1.00 0.00 H ATOM 1828 N ALA B 59 0.505 9.952 -17.654 1.00 22.30 N ATOM 1829 CA ALA B 59 -0.088 9.545 -18.938 1.00 22.52 C ATOM 1830 C ALA B 59 0.784 8.561 -19.709 1.00 23.16 C ATOM 1831 O ALA B 59 0.317 7.531 -20.201 1.00 23.74 O ATOM 1832 CB ALA B 59 -0.358 10.797 -19.792 1.00 22.60 C ATOM 1833 H ALA B 59 0.660 10.963 -17.467 1.00 0.00 H ATOM 1834 N SER B 60 2.057 8.903 -19.830 1.00 24.66 N ATOM 1835 CA SER B 60 3.020 8.103 -20.547 1.00 26.02 C ATOM 1836 C SER B 60 3.260 6.749 -19.845 1.00 26.35 C ATOM 1837 O SER B 60 3.349 5.722 -20.509 1.00 26.35 O ATOM 1838 CB SER B 60 4.294 8.938 -20.756 1.00 26.89 C ATOM 1839 OG SER B 60 5.418 8.103 -20.931 1.00 32.06 O ATOM 1840 HG SER B 60 5.535 7.537 -20.127 1.00 0.00 H ATOM 1841 H SER B 60 2.377 9.788 -19.388 1.00 0.00 H ATOM 1842 N HIS B 61 3.309 6.728 -18.513 1.00 25.51 N ATOM 1843 CA HIS B 61 3.490 5.478 -17.754 1.00 26.28 C ATOM 1844 C HIS B 61 2.232 4.603 -17.867 1.00 26.66 C ATOM 1845 O HIS B 61 2.314 3.372 -18.035 1.00 26.90 O ATOM 1846 CB HIS B 61 3.880 5.793 -16.287 1.00 25.30 C ATOM 1847 CG HIS B 61 4.121 4.585 -15.426 1.00 24.95 C ATOM 1848 ND1 HIS B 61 5.159 3.699 -15.644 1.00 26.22 N ATOM 1849 CD2 HIS B 61 3.468 4.130 -14.331 1.00 24.33 C ATOM 1850 CE1 HIS B 61 5.116 2.737 -14.735 1.00 25.50 C ATOM 1851 NE2 HIS B 61 4.106 2.978 -13.919 1.00 23.98 N ATOM 1852 H HIS B 61 3.216 7.623 -17.992 1.00 0.00 H ATOM 1853 N SER B 62 1.063 5.240 -17.820 1.00 26.66 N ATOM 1854 CA SER B 62 -0.195 4.514 -17.942 1.00 27.18 C ATOM 1855 C SER B 62 -0.295 3.786 -19.284 1.00 28.15 C ATOM 1856 O SER B 62 -0.693 2.596 -19.349 1.00 27.44 O ATOM 1857 CB SER B 62 -1.369 5.465 -17.775 1.00 27.00 C ATOM 1858 OG SER B 62 -1.388 5.972 -16.442 1.00 27.84 O ATOM 1859 HG SER B 62 -0.543 6.456 -16.262 1.00 0.00 H ATOM 1860 H SER B 62 1.048 6.272 -17.694 1.00 0.00 H ATOM 1861 N SER B 63 0.087 4.506 -20.330 1.00 29.23 N ATOM 1862 CA SER B 63 0.137 3.961 -21.682 1.00 31.87 C ATOM 1863 C SER B 63 1.075 2.733 -21.758 1.00 32.75 C ATOM 1864 O SER B 63 0.685 1.687 -22.290 1.00 33.68 O ATOM 1865 CB SER B 63 0.579 5.052 -22.647 1.00 31.40 C ATOM 1866 OG SER B 63 0.781 4.535 -23.952 1.00 36.19 O ATOM 1867 HG SER B 63 1.067 5.266 -24.555 1.00 0.00 H ATOM 1868 H SER B 63 0.362 5.498 -20.181 1.00 0.00 H ATOM 1869 N ARG B 64 2.277 2.855 -21.192 1.00 33.44 N ATOM 1870 CA ARG B 64 3.256 1.755 -21.130 1.00 34.92 C ATOM 1871 C ARG B 64 2.721 0.515 -20.365 1.00 35.26 C ATOM 1872 O ARG B 64 2.990 -0.628 -20.750 1.00 37.11 O ATOM 1873 CB ARG B 64 4.562 2.321 -20.533 1.00 35.05 C ATOM 1874 CG ARG B 64 5.759 1.402 -20.394 1.00 39.28 C ATOM 1875 CD ARG B 64 6.883 2.134 -19.632 1.00 44.89 C ATOM 1876 NE ARG B 64 8.219 1.618 -19.972 1.00 52.10 N ATOM 1877 CZ ARG B 64 9.370 1.884 -19.330 1.00 53.38 C ATOM 1878 NH1 ARG B 64 9.412 2.677 -18.256 1.00 52.92 N ATOM 1879 NH2 ARG B 64 10.506 1.339 -19.780 1.00 53.33 N ATOM 1880 HE ARG B 64 8.279 0.982 -20.793 1.00 0.00 H ATOM 1881 HH12 ARG B 64 10.319 2.863 -17.782 1.00 0.00 H ATOM 1882 HH11 ARG B 64 8.538 3.109 -17.894 1.00 0.00 H ATOM 1883 HH22 ARG B 64 11.405 1.535 -19.295 1.00 0.00 H ATOM 1884 HH21 ARG B 64 10.490 0.719 -20.615 1.00 0.00 H ATOM 1885 H ARG B 64 2.536 3.771 -20.774 1.00 0.00 H ATOM 1886 N LEU B 65 1.931 0.724 -19.318 1.00 33.56 N ATOM 1887 CA LEU B 65 1.331 -0.379 -18.581 1.00 33.11 C ATOM 1888 C LEU B 65 0.012 -0.854 -19.197 1.00 33.14 C ATOM 1889 O LEU B 65 -0.594 -1.817 -18.705 1.00 32.69 O ATOM 1890 CB LEU B 65 1.068 0.021 -17.117 1.00 32.53 C ATOM 1891 CG LEU B 65 2.175 0.551 -16.205 1.00 31.63 C ATOM 1892 CD1 LEU B 65 1.585 0.961 -14.885 1.00 32.76 C ATOM 1893 CD2 LEU B 65 3.242 -0.471 -15.989 1.00 32.94 C ATOM 1894 H LEU B 65 1.736 1.700 -19.017 1.00 0.00 H ATOM 1895 N LYS B 66 -0.434 -0.164 -20.248 1.00 32.99 N ATOM 1896 CA LYS B 66 -1.765 -0.365 -20.855 1.00 34.07 C ATOM 1897 C LYS B 66 -2.894 -0.283 -19.835 1.00 33.05 C ATOM 1898 O LYS B 66 -3.803 -1.104 -19.860 1.00 32.84 O ATOM 1899 CB LYS B 66 -1.875 -1.714 -21.616 1.00 35.19 C ATOM 1900 CG LYS B 66 -0.694 -2.075 -22.514 1.00 39.66 C ATOM 1901 CD LYS B 66 -0.837 -3.528 -22.982 1.00 44.80 C ATOM 1902 CE LYS B 66 0.516 -4.077 -23.469 1.00 49.57 C ATOM 1903 NZ LYS B 66 0.537 -5.583 -23.669 1.00 51.76 N ATOM 1904 HZ1 LYS B 66 0.321 -6.054 -22.767 1.00 0.00 H ATOM 1905 HZ2 LYS B 66 -0.175 -5.847 -24.379 1.00 0.00 H ATOM 1906 HZ3 LYS B 66 1.480 -5.875 -23.997 1.00 0.00 H ATOM 1907 H LYS B 66 0.191 0.556 -20.663 1.00 0.00 H ATOM 1908 N VAL B 67 -2.848 0.700 -18.937 1.00 32.19 N ATOM 1909 CA VAL B 67 -3.912 0.848 -17.939 1.00 30.64 C ATOM 1910 C VAL B 67 -4.880 1.944 -18.372 1.00 29.91 C ATOM 1911 O VAL B 67 -4.475 2.904 -19.030 1.00 29.30 O ATOM 1912 CB VAL B 67 -3.389 1.212 -16.529 1.00 31.32 C ATOM 1913 CG1 VAL B 67 -2.376 0.220 -16.055 1.00 32.26 C ATOM 1914 CG2 VAL B 67 -2.806 2.575 -16.507 1.00 31.84 C ATOM 1915 H VAL B 67 -2.051 1.368 -18.944 1.00 0.00 H ATOM 1916 N THR B 68 -6.142 1.821 -17.985 1.00 27.37 N ATOM 1917 CA THR B 68 -7.139 2.767 -18.466 1.00 27.52 C ATOM 1918 C THR B 68 -7.813 3.482 -17.307 1.00 25.63 C ATOM 1919 O THR B 68 -8.791 4.179 -17.522 1.00 25.46 O ATOM 1920 CB THR B 68 -8.210 2.060 -19.344 1.00 27.46 C ATOM 1921 OG1 THR B 68 -8.789 0.980 -18.591 1.00 26.01 O ATOM 1922 CG2 THR B 68 -7.565 1.481 -20.605 1.00 29.16 C ATOM 1923 HG1 THR B 68 -9.211 1.340 -17.771 1.00 0.00 H ATOM 1924 H THR B 68 -6.419 1.053 -17.341 1.00 0.00 H ATOM 1925 N THR B 69 -7.303 3.276 -16.084 1.00 24.09 N ATOM 1926 CA THR B 69 -7.804 3.963 -14.890 1.00 22.38 C ATOM 1927 C THR B 69 -6.624 4.440 -14.082 1.00 22.52 C ATOM 1928 O THR B 69 -5.699 3.665 -13.839 1.00 21.76 O ATOM 1929 CB THR B 69 -8.637 3.024 -14.053 1.00 23.49 C ATOM 1930 OG1 THR B 69 -9.801 2.649 -14.819 1.00 23.80 O ATOM 1931 CG2 THR B 69 -9.048 3.637 -12.712 1.00 22.23 C ATOM 1932 HG1 THR B 69 -10.361 2.032 -14.285 1.00 0.00 H ATOM 1933 H THR B 69 -6.519 2.601 -15.978 1.00 0.00 H ATOM 1934 N VAL B 70 -6.657 5.721 -13.715 1.00 20.78 N ATOM 1935 CA VAL B 70 -5.675 6.335 -12.824 1.00 20.78 C ATOM 1936 C VAL B 70 -6.376 6.920 -11.608 1.00 19.68 C ATOM 1937 O VAL B 70 -7.358 7.696 -11.723 1.00 20.91 O ATOM 1938 CB VAL B 70 -4.899 7.465 -13.509 1.00 19.05 C ATOM 1939 CG1 VAL B 70 -4.056 8.265 -12.460 1.00 17.98 C ATOM 1940 CG2 VAL B 70 -4.020 6.896 -14.525 1.00 19.62 C ATOM 1941 H VAL B 70 -7.425 6.317 -14.084 1.00 0.00 H ATOM 1942 N ILE B 71 -5.871 6.567 -10.431 1.00 18.39 N ATOM 1943 CA ILE B 71 -6.358 7.152 -9.199 1.00 17.37 C ATOM 1944 C ILE B 71 -5.321 8.160 -8.692 1.00 18.44 C ATOM 1945 O ILE B 71 -4.146 7.813 -8.459 1.00 19.21 O ATOM 1946 CB ILE B 71 -6.567 6.095 -8.090 1.00 18.39 C ATOM 1947 CG1 ILE B 71 -7.292 4.854 -8.614 1.00 18.31 C ATOM 1948 CG2 ILE B 71 -7.271 6.699 -6.899 1.00 16.23 C ATOM 1949 CD1 ILE B 71 -8.681 5.127 -9.234 1.00 21.88 C ATOM 1950 H ILE B 71 -5.112 5.857 -10.394 1.00 0.00 H ATOM 1951 N LEU B 72 -5.749 9.397 -8.528 1.00 17.68 N ATOM 1952 CA LEU B 72 -4.910 10.427 -7.918 1.00 17.15 C ATOM 1953 C LEU B 72 -5.222 10.462 -6.449 1.00 17.99 C ATOM 1954 O LEU B 72 -6.231 11.003 -6.043 1.00 18.04 O ATOM 1955 CB LEU B 72 -5.090 11.806 -8.568 1.00 16.33 C ATOM 1956 CG LEU B 72 -4.745 11.835 -10.055 1.00 15.95 C ATOM 1957 CD1 LEU B 72 -5.142 13.185 -10.687 1.00 18.56 C ATOM 1958 CD2 LEU B 72 -3.216 11.577 -10.378 1.00 15.90 C ATOM 1959 H LEU B 72 -6.709 9.646 -8.841 1.00 0.00 H ATOM 1960 N TYR B 73 -4.290 9.917 -5.648 1.00 17.51 N ATOM 1961 CA TYR B 73 -4.529 9.668 -4.224 1.00 18.56 C ATOM 1962 C TYR B 73 -3.684 10.609 -3.368 1.00 18.43 C ATOM 1963 O TYR B 73 -2.476 10.375 -3.211 1.00 17.79 O ATOM 1964 CB TYR B 73 -4.235 8.191 -3.964 1.00 18.34 C ATOM 1965 CG TYR B 73 -4.735 7.691 -2.651 1.00 19.73 C ATOM 1966 CD1 TYR B 73 -3.853 7.392 -1.631 1.00 22.06 C ATOM 1967 CD2 TYR B 73 -6.099 7.444 -2.452 1.00 22.12 C ATOM 1968 CE1 TYR B 73 -4.317 6.875 -0.399 1.00 23.77 C ATOM 1969 CE2 TYR B 73 -6.588 6.946 -1.230 1.00 22.61 C ATOM 1970 CZ TYR B 73 -5.702 6.666 -0.210 1.00 25.01 C ATOM 1971 OH TYR B 73 -6.178 6.177 1.002 1.00 22.06 O ATOM 1972 HH TYR B 73 -5.418 6.031 1.619 1.00 0.00 H ATOM 1973 H TYR B 73 -3.367 9.663 -6.053 1.00 0.00 H ATOM 1974 N PRO B 74 -4.293 11.721 -2.859 1.00 19.49 N ATOM 1975 CA PRO B 74 -3.548 12.659 -2.010 1.00 19.75 C ATOM 1976 C PRO B 74 -2.848 11.884 -0.875 1.00 20.94 C ATOM 1977 O PRO B 74 -3.478 11.014 -0.230 1.00 20.80 O ATOM 1978 CB PRO B 74 -4.631 13.555 -1.418 1.00 19.54 C ATOM 1979 CG PRO B 74 -5.765 13.476 -2.386 1.00 20.47 C ATOM 1980 CD PRO B 74 -5.727 12.072 -2.937 1.00 18.72 C ATOM 1981 N TYR B 75 -1.553 12.131 -0.703 1.00 20.13 N ATOM 1982 CA TYR B 75 -0.777 11.430 0.293 1.00 20.72 C ATOM 1983 C TYR B 75 0.209 12.389 0.958 1.00 20.91 C ATOM 1984 O TYR B 75 1.043 12.994 0.293 1.00 22.27 O ATOM 1985 CB TYR B 75 -0.036 10.244 -0.345 1.00 20.71 C ATOM 1986 CG TYR B 75 0.142 9.084 0.619 1.00 20.44 C ATOM 1987 CD1 TYR B 75 -0.956 8.423 1.155 1.00 21.33 C ATOM 1988 CD2 TYR B 75 1.412 8.676 1.007 1.00 21.60 C ATOM 1989 CE1 TYR B 75 -0.794 7.358 2.055 1.00 21.88 C ATOM 1990 CE2 TYR B 75 1.598 7.615 1.889 1.00 21.88 C ATOM 1991 CZ TYR B 75 0.492 6.960 2.424 1.00 21.74 C ATOM 1992 OH TYR B 75 0.677 5.895 3.304 1.00 23.20 O ATOM 1993 HH TYR B 75 -0.205 5.546 3.588 1.00 0.00 H ATOM 1994 H TYR B 75 -1.088 12.845 -1.299 1.00 0.00 H ATOM 1995 N ALA B 76 0.136 12.547 2.273 1.00 20.63 N ATOM 1996 CA ALA B 76 1.001 13.529 2.911 1.00 20.91 C ATOM 1997 C ALA B 76 2.395 13.007 3.287 1.00 20.13 C ATOM 1998 O ALA B 76 3.193 13.741 3.837 1.00 22.69 O ATOM 1999 CB ALA B 76 0.301 14.157 4.118 1.00 20.56 C ATOM 2000 H ALA B 76 -0.527 11.979 2.838 1.00 0.00 H ATOM 2001 N HIS B 77 2.713 11.761 2.959 1.00 20.37 N ATOM 2002 CA HIS B 77 3.861 11.124 3.592 1.00 20.57 C ATOM 2003 C HIS B 77 5.086 10.806 2.737 1.00 20.88 C ATOM 2004 O HIS B 77 5.998 10.119 3.224 1.00 22.18 O ATOM 2005 CB HIS B 77 3.361 9.881 4.326 1.00 20.82 C ATOM 2006 CG HIS B 77 2.173 10.176 5.186 1.00 23.47 C ATOM 2007 ND1 HIS B 77 2.268 10.942 6.331 1.00 24.70 N ATOM 2008 CD2 HIS B 77 0.856 9.902 5.021 1.00 23.90 C ATOM 2009 CE1 HIS B 77 1.067 11.069 6.870 1.00 25.69 C ATOM 2010 NE2 HIS B 77 0.193 10.457 6.094 1.00 26.67 N ATOM 2011 H HIS B 77 2.148 11.243 2.256 1.00 0.00 H ATOM 2012 N LEU B 78 5.125 11.266 1.483 1.00 19.51 N ATOM 2013 CA LEU B 78 6.232 10.849 0.577 1.00 19.64 C ATOM 2014 C LEU B 78 7.461 11.748 0.599 1.00 20.40 C ATOM 2015 O LEU B 78 8.473 11.407 0.011 1.00 20.67 O ATOM 2016 CB LEU B 78 5.770 10.692 -0.891 1.00 18.46 C ATOM 2017 CG LEU B 78 4.600 9.727 -1.137 1.00 16.54 C ATOM 2018 CD1 LEU B 78 4.264 9.617 -2.639 1.00 15.95 C ATOM 2019 CD2 LEU B 78 4.892 8.355 -0.526 1.00 17.27 C ATOM 2020 H LEU B 78 4.386 11.912 1.141 1.00 0.00 H ATOM 2021 N SER B 79 7.367 12.891 1.257 1.00 21.18 N ATOM 2022 CA SER B 79 8.535 13.760 1.373 1.00 22.12 C ATOM 2023 C SER B 79 8.469 14.652 2.607 1.00 21.41 C ATOM 2024 O SER B 79 7.469 14.663 3.318 1.00 21.56 O ATOM 2025 CB SER B 79 8.741 14.616 0.132 1.00 22.71 C ATOM 2026 OG SER B 79 8.111 15.896 0.239 1.00 22.41 O ATOM 2027 HG SER B 79 8.273 16.413 -0.590 1.00 0.00 H ATOM 2028 H SER B 79 6.464 13.170 1.691 1.00 0.00 H ATOM 2029 N SER B 80 9.555 15.392 2.815 1.00 21.69 N ATOM 2030 CA SER B 80 9.704 16.300 3.948 1.00 22.40 C ATOM 2031 C SER B 80 9.813 17.740 3.431 1.00 22.48 C ATOM 2032 O SER B 80 10.546 18.562 4.004 1.00 22.78 O ATOM 2033 CB SER B 80 10.970 15.929 4.730 1.00 21.50 C ATOM 2034 OG SER B 80 10.817 14.719 5.483 1.00 22.49 O ATOM 2035 HG SER B 80 11.658 14.525 5.967 1.00 0.00 H ATOM 2036 H SER B 80 10.338 15.320 2.135 1.00 0.00 H ATOM 2037 N ARG B 81 9.133 18.034 2.313 1.00 23.14 N ATOM 2038 CA ARG B 81 8.962 19.426 1.851 1.00 22.82 C ATOM 2039 C ARG B 81 7.533 19.679 1.365 1.00 21.92 C ATOM 2040 O ARG B 81 7.319 20.164 0.260 1.00 20.55 O ATOM 2041 CB ARG B 81 10.023 19.813 0.789 1.00 24.78 C ATOM 2042 CG ARG B 81 10.348 18.709 -0.220 1.00 27.84 C ATOM 2043 CD ARG B 81 11.371 19.156 -1.287 1.00 35.65 C ATOM 2044 NE ARG B 81 11.617 18.110 -2.300 1.00 39.60 N ATOM 2045 CZ ARG B 81 12.500 18.190 -3.307 1.00 42.65 C ATOM 2046 NH1 ARG B 81 13.264 19.267 -3.479 1.00 45.14 N ATOM 2047 NH2 ARG B 81 12.630 17.181 -4.155 1.00 41.91 N ATOM 2048 HE ARG B 81 11.058 17.236 -2.227 1.00 0.00 H ATOM 2049 HH12 ARG B 81 13.941 19.304 -4.268 1.00 0.00 H ATOM 2050 HH11 ARG B 81 13.184 20.071 -2.825 1.00 0.00 H ATOM 2051 HH22 ARG B 81 13.314 17.243 -4.936 1.00 0.00 H ATOM 2052 HH21 ARG B 81 12.048 16.327 -4.040 1.00 0.00 H ATOM 2053 H ARG B 81 8.715 17.261 1.757 1.00 0.00 H ATOM 2054 N LEU B 82 6.583 19.401 2.247 1.00 22.08 N ATOM 2055 CA LEU B 82 5.143 19.517 1.962 1.00 22.28 C ATOM 2056 C LEU B 82 4.747 20.945 1.691 1.00 23.99 C ATOM 2057 O LEU B 82 5.261 21.890 2.330 1.00 23.52 O ATOM 2058 CB LEU B 82 4.311 19.005 3.140 1.00 23.19 C ATOM 2059 CG LEU B 82 3.773 17.595 3.071 1.00 23.34 C ATOM 2060 CD1 LEU B 82 4.946 16.685 2.770 1.00 29.09 C ATOM 2061 CD2 LEU B 82 3.008 17.217 4.383 1.00 21.08 C ATOM 2062 H LEU B 82 6.871 19.083 3.194 1.00 0.00 H ATOM 2063 N ALA B 83 3.834 21.093 0.730 1.00 23.77 N ATOM 2064 CA ALA B 83 3.128 22.346 0.522 1.00 24.50 C ATOM 2065 C ALA B 83 2.057 22.377 1.604 1.00 24.42 C ATOM 2066 O ALA B 83 1.642 21.334 2.120 1.00 23.50 O ATOM 2067 CB ALA B 83 2.473 22.393 -0.868 1.00 23.23 C ATOM 2068 H ALA B 83 3.621 20.286 0.110 1.00 0.00 H ATOM 2069 N LYS B 84 1.620 23.585 1.940 1.00 24.93 N ATOM 2070 CA LYS B 84 0.551 23.793 2.895 1.00 26.57 C ATOM 2071 C LYS B 84 -0.752 23.241 2.292 1.00 26.94 C ATOM 2072 O LYS B 84 -0.836 23.116 1.061 1.00 27.14 O ATOM 2073 CB LYS B 84 0.441 25.297 3.161 1.00 27.46 C ATOM 2074 CG LYS B 84 1.723 25.945 3.700 1.00 31.41 C ATOM 2075 CD LYS B 84 1.550 27.470 3.611 1.00 39.95 C ATOM 2076 CE LYS B 84 2.790 28.234 4.049 1.00 43.79 C ATOM 2077 NZ LYS B 84 2.355 29.618 4.425 1.00 46.91 N ATOM 2078 HZ1 LYS B 84 1.915 30.078 3.602 1.00 0.00 H ATOM 2079 HZ2 LYS B 84 1.666 29.564 5.202 1.00 0.00 H ATOM 2080 HZ3 LYS B 84 3.182 30.169 4.731 1.00 0.00 H ATOM 2081 H LYS B 84 2.064 24.416 1.499 1.00 0.00 H ATOM 2082 N PRO B 85 -1.760 22.897 3.122 1.00 26.91 N ATOM 2083 CA PRO B 85 -2.922 22.140 2.611 1.00 27.70 C ATOM 2084 C PRO B 85 -3.712 22.838 1.518 1.00 27.08 C ATOM 2085 O PRO B 85 -4.131 22.179 0.579 1.00 27.37 O ATOM 2086 CB PRO B 85 -3.798 21.947 3.859 1.00 28.17 C ATOM 2087 CG PRO B 85 -2.779 21.911 4.973 1.00 27.91 C ATOM 2088 CD PRO B 85 -1.874 23.073 4.582 1.00 28.04 C ATOM 2089 N MET B 86 -3.857 24.160 1.603 1.00 28.32 N ATOM 2090 CA MET B 86 -4.631 24.894 0.598 1.00 27.61 C ATOM 2091 C MET B 86 -3.928 24.864 -0.782 1.00 27.07 C ATOM 2092 O MET B 86 -4.595 24.589 -1.790 1.00 26.84 O ATOM 2093 CB MET B 86 -4.908 26.339 1.033 1.00 28.99 C ATOM 2094 CG MET B 86 -3.812 27.263 0.969 1.00 28.56 C ATOM 2095 SD MET B 86 -4.276 28.920 1.509 1.00 28.79 S ATOM 2096 CE MET B 86 -5.279 29.463 0.118 1.00 28.69 C ATOM 2097 H MET B 86 -3.416 24.676 2.391 1.00 0.00 H ATOM 2098 N ALA B 87 -2.615 25.136 -0.814 1.00 24.55 N ATOM 2099 CA ALA B 87 -1.795 25.039 -2.045 1.00 23.77 C ATOM 2100 C ALA B 87 -1.851 23.613 -2.578 1.00 22.50 C ATOM 2101 O ALA B 87 -1.971 23.408 -3.796 1.00 22.57 O ATOM 2102 CB ALA B 87 -0.343 25.437 -1.778 1.00 23.31 C ATOM 2103 H ALA B 87 -2.149 25.429 0.068 1.00 0.00 H ATOM 2104 N ALA B 88 -1.755 22.645 -1.664 1.00 20.87 N ATOM 2105 CA ALA B 88 -1.762 21.220 -2.002 1.00 20.68 C ATOM 2106 C ALA B 88 -3.042 20.811 -2.686 1.00 21.18 C ATOM 2107 O ALA B 88 -3.006 20.172 -3.745 1.00 20.79 O ATOM 2108 CB ALA B 88 -1.477 20.354 -0.752 1.00 19.21 C ATOM 2109 H ALA B 88 -1.671 22.916 -0.663 1.00 0.00 H ATOM 2110 N HIS B 89 -4.181 21.181 -2.083 1.00 21.76 N ATOM 2111 CA HIS B 89 -5.493 20.882 -2.663 1.00 22.08 C ATOM 2112 C HIS B 89 -5.619 21.438 -4.091 1.00 21.95 C ATOM 2113 O HIS B 89 -6.070 20.718 -5.006 1.00 21.41 O ATOM 2114 CB HIS B 89 -6.610 21.465 -1.785 1.00 22.49 C ATOM 2115 CG HIS B 89 -7.987 21.048 -2.211 1.00 24.02 C ATOM 2116 ND1 HIS B 89 -8.993 21.953 -2.496 1.00 26.06 N ATOM 2117 CD2 HIS B 89 -8.518 19.823 -2.406 1.00 24.68 C ATOM 2118 CE1 HIS B 89 -10.086 21.298 -2.839 1.00 25.42 C ATOM 2119 NE2 HIS B 89 -9.827 20.001 -2.785 1.00 26.07 N ATOM 2120 H HIS B 89 -4.132 21.694 -1.180 1.00 0.00 H ATOM 2121 N LYS B 90 -5.227 22.712 -4.238 1.00 22.51 N ATOM 2122 CA LYS B 90 -5.248 23.443 -5.504 1.00 24.44 C ATOM 2123 C LYS B 90 -4.437 22.754 -6.589 1.00 23.56 C ATOM 2124 O LYS B 90 -4.926 22.575 -7.700 1.00 23.19 O ATOM 2125 CB LYS B 90 -4.753 24.882 -5.322 1.00 25.63 C ATOM 2126 CG LYS B 90 -4.839 25.743 -6.600 1.00 30.02 C ATOM 2127 CD LYS B 90 -4.549 27.248 -6.322 1.00 35.82 C ATOM 2128 CE LYS B 90 -4.335 28.069 -7.616 1.00 41.52 C ATOM 2129 NZ LYS B 90 -5.621 28.492 -8.304 1.00 44.13 N ATOM 2130 HZ1 LYS B 90 -6.167 27.646 -8.565 1.00 0.00 H ATOM 2131 HZ2 LYS B 90 -6.181 29.082 -7.656 1.00 0.00 H ATOM 2132 HZ3 LYS B 90 -5.392 29.036 -9.160 1.00 0.00 H ATOM 2133 H LYS B 90 -4.885 23.214 -3.394 1.00 0.00 H ATOM 2134 N ARG B 91 -3.218 22.347 -6.249 1.00 22.30 N ATOM 2135 CA ARG B 91 -2.370 21.612 -7.175 1.00 22.15 C ATOM 2136 C ARG B 91 -2.944 20.235 -7.572 1.00 21.09 C ATOM 2137 O ARG B 91 -2.794 19.815 -8.730 1.00 20.71 O ATOM 2138 CB ARG B 91 -0.951 21.505 -6.582 1.00 22.36 C ATOM 2139 CG ARG B 91 0.168 21.989 -7.522 1.00 28.77 C ATOM 2140 CD ARG B 91 -0.056 23.444 -8.137 1.00 31.42 C ATOM 2141 NE ARG B 91 0.045 24.355 -7.031 1.00 38.33 N ATOM 2142 CZ ARG B 91 -0.493 25.558 -6.915 1.00 38.70 C ATOM 2143 NH1 ARG B 91 -0.303 26.187 -5.769 1.00 38.29 N ATOM 2144 NH2 ARG B 91 -1.208 26.125 -7.884 1.00 41.53 N ATOM 2145 HE ARG B 91 0.611 24.029 -6.222 1.00 0.00 H ATOM 2146 HH12 ARG B 91 -0.704 27.136 -5.624 1.00 0.00 H ATOM 2147 HH11 ARG B 91 0.247 25.734 -5.012 1.00 0.00 H ATOM 2148 HH22 ARG B 91 -1.611 27.074 -7.746 1.00 0.00 H ATOM 2149 HH21 ARG B 91 -1.364 25.619 -8.779 1.00 0.00 H ATOM 2150 H ARG B 91 -2.861 22.560 -5.296 1.00 0.00 H ATOM 2151 N LEU B 92 -3.614 19.557 -6.645 1.00 19.32 N ATOM 2152 CA LEU B 92 -4.202 18.250 -6.936 1.00 19.85 C ATOM 2153 C LEU B 92 -5.392 18.394 -7.854 1.00 19.87 C ATOM 2154 O LEU B 92 -5.612 17.549 -8.723 1.00 18.60 O ATOM 2155 CB LEU B 92 -4.619 17.512 -5.641 1.00 19.25 C ATOM 2156 CG LEU B 92 -3.487 16.566 -5.187 1.00 21.95 C ATOM 2157 CD1 LEU B 92 -3.520 16.399 -3.684 1.00 26.38 C ATOM 2158 CD2 LEU B 92 -3.616 15.202 -5.891 1.00 22.40 C ATOM 2159 H LEU B 92 -3.722 19.964 -5.694 1.00 0.00 H ATOM 2160 N ILE B 93 -6.149 19.470 -7.660 1.00 20.23 N ATOM 2161 CA ILE B 93 -7.218 19.817 -8.574 1.00 21.68 C ATOM 2162 C ILE B 93 -6.657 20.134 -9.958 1.00 20.62 C ATOM 2163 O ILE B 93 -7.196 19.662 -10.934 1.00 20.13 O ATOM 2164 CB ILE B 93 -8.106 20.967 -8.039 1.00 22.73 C ATOM 2165 CG1 ILE B 93 -8.891 20.465 -6.818 1.00 24.78 C ATOM 2166 CG2 ILE B 93 -9.090 21.457 -9.146 1.00 22.26 C ATOM 2167 CD1 ILE B 93 -9.490 21.549 -6.016 1.00 30.00 C ATOM 2168 H ILE B 93 -5.970 20.076 -6.834 1.00 0.00 H ATOM 2169 N GLU B 94 -5.566 20.899 -10.027 1.00 20.47 N ATOM 2170 CA GLU B 94 -4.919 21.178 -11.307 1.00 21.00 C ATOM 2171 C GLU B 94 -4.391 19.886 -11.951 1.00 20.40 C ATOM 2172 O GLU B 94 -4.506 19.688 -13.169 1.00 20.80 O ATOM 2173 CB GLU B 94 -3.777 22.161 -11.118 1.00 21.83 C ATOM 2174 CG GLU B 94 -4.248 23.567 -10.826 1.00 25.08 C ATOM 2175 CD GLU B 94 -3.100 24.442 -10.363 1.00 28.48 C ATOM 2176 OE1 GLU B 94 -1.933 24.054 -10.539 1.00 28.20 O ATOM 2177 OE2 GLU B 94 -3.368 25.536 -9.830 1.00 32.33 O ATOM 2178 H GLU B 94 -5.169 21.304 -9.155 1.00 0.00 H ATOM 2179 N LEU B 95 -3.803 19.016 -11.141 1.00 19.40 N ATOM 2180 CA LEU B 95 -3.266 17.755 -11.656 1.00 19.63 C ATOM 2181 C LEU B 95 -4.345 16.888 -12.304 1.00 20.25 C ATOM 2182 O LEU B 95 -4.120 16.313 -13.377 1.00 20.51 O ATOM 2183 CB LEU B 95 -2.535 16.970 -10.559 1.00 19.49 C ATOM 2184 CG LEU B 95 -1.876 15.640 -10.940 1.00 20.95 C ATOM 2185 CD1 LEU B 95 -0.783 15.860 -12.027 1.00 22.64 C ATOM 2186 CD2 LEU B 95 -1.298 14.991 -9.687 1.00 17.67 C ATOM 2187 H LEU B 95 -3.722 19.232 -10.127 1.00 0.00 H ATOM 2188 N GLU B 96 -5.490 16.762 -11.635 1.00 20.45 N ATOM 2189 CA GLU B 96 -6.635 16.038 -12.173 1.00 20.56 C ATOM 2190 C GLU B 96 -7.027 16.602 -13.539 1.00 19.97 C ATOM 2191 O GLU B 96 -7.147 15.851 -14.500 1.00 20.45 O ATOM 2192 CB GLU B 96 -7.843 16.154 -11.229 1.00 21.01 C ATOM 2193 CG GLU B 96 -9.080 15.501 -11.827 1.00 25.21 C ATOM 2194 CD GLU B 96 -10.355 15.743 -11.008 1.00 28.54 C ATOM 2195 OE1 GLU B 96 -10.304 16.501 -10.010 1.00 26.47 O ATOM 2196 OE2 GLU B 96 -11.396 15.136 -11.373 1.00 31.25 O ATOM 2197 H GLU B 96 -5.570 17.196 -10.694 1.00 0.00 H ATOM 2198 N GLY B 97 -7.214 17.921 -13.624 1.00 20.99 N ATOM 2199 CA GLY B 97 -7.568 18.574 -14.906 1.00 20.92 C ATOM 2200 C GLY B 97 -6.539 18.351 -16.006 1.00 20.96 C ATOM 2201 O GLY B 97 -6.896 18.015 -17.146 1.00 21.69 O ATOM 2202 H GLY B 97 -7.109 18.504 -12.770 1.00 0.00 H ATOM 2203 N ALA B 98 -5.259 18.569 -15.679 1.00 20.47 N ATOM 2204 CA ALA B 98 -4.116 18.343 -16.585 1.00 19.19 C ATOM 2205 C ALA B 98 -4.022 16.926 -17.095 1.00 18.12 C ATOM 2206 O ALA B 98 -3.726 16.701 -18.281 1.00 18.36 O ATOM 2207 CB ALA B 98 -2.804 18.679 -15.861 1.00 19.43 C ATOM 2208 H ALA B 98 -5.056 18.921 -14.722 1.00 0.00 H ATOM 2209 N LEU B 99 -4.227 15.959 -16.202 1.00 17.51 N ATOM 2210 CA LEU B 99 -4.136 14.553 -16.612 1.00 16.91 C ATOM 2211 C LEU B 99 -5.197 14.235 -17.684 1.00 18.08 C ATOM 2212 O LEU B 99 -4.930 13.480 -18.628 1.00 17.25 O ATOM 2213 CB LEU B 99 -4.205 13.596 -15.411 1.00 15.81 C ATOM 2214 CG LEU B 99 -4.055 12.128 -15.785 1.00 17.47 C ATOM 2215 CD1 LEU B 99 -2.698 11.878 -16.489 1.00 17.52 C ATOM 2216 CD2 LEU B 99 -4.166 11.277 -14.522 1.00 20.89 C ATOM 2217 H LEU B 99 -4.451 16.200 -15.216 1.00 0.00 H ATOM 2218 N ARG B 100 -6.391 14.809 -17.531 1.00 18.56 N ATOM 2219 CA ARG B 100 -7.479 14.548 -18.496 1.00 21.09 C ATOM 2220 C ARG B 100 -7.144 15.079 -19.902 1.00 21.30 C ATOM 2221 O ARG B 100 -7.717 14.639 -20.895 1.00 21.33 O ATOM 2222 CB ARG B 100 -8.783 15.177 -18.021 1.00 21.01 C ATOM 2223 CG ARG B 100 -9.225 14.758 -16.684 1.00 21.91 C ATOM 2224 CD ARG B 100 -10.687 15.239 -16.436 1.00 24.89 C ATOM 2225 NE ARG B 100 -11.120 14.918 -15.072 1.00 21.92 N ATOM 2226 CZ ARG B 100 -11.511 13.699 -14.720 1.00 21.83 C ATOM 2227 NH1 ARG B 100 -11.560 12.742 -15.638 1.00 22.16 N ATOM 2228 NH2 ARG B 100 -11.881 13.435 -13.478 1.00 21.57 N ATOM 2229 HE ARG B 100 -11.121 15.672 -14.355 1.00 0.00 H ATOM 2230 HH12 ARG B 100 -11.865 11.783 -15.374 1.00 0.00 H ATOM 2231 HH11 ARG B 100 -11.294 12.951 -16.621 1.00 0.00 H ATOM 2232 HH22 ARG B 100 -12.185 12.475 -13.219 1.00 0.00 H ATOM 2233 HH21 ARG B 100 -11.868 14.188 -12.760 1.00 0.00 H ATOM 2234 H ARG B 100 -6.558 15.446 -16.726 1.00 0.00 H ATOM 2235 N THR B 101 -6.219 16.036 -19.974 1.00 22.26 N ATOM 2236 CA THR B 101 -5.762 16.545 -21.282 1.00 22.37 C ATOM 2237 C THR B 101 -4.702 15.669 -21.923 1.00 22.65 C ATOM 2238 O THR B 101 -4.329 15.905 -23.073 1.00 22.63 O ATOM 2239 CB THR B 101 -5.207 17.989 -21.189 1.00 22.29 C ATOM 2240 OG1 THR B 101 -3.892 17.968 -20.609 1.00 22.94 O ATOM 2241 CG2 THR B 101 -6.145 18.891 -20.368 1.00 22.85 C ATOM 2242 HG1 THR B 101 -3.939 17.575 -19.701 1.00 0.00 H ATOM 2243 H THR B 101 -5.815 16.428 -19.100 1.00 0.00 H ATOM 2244 N LYS B 102 -4.181 14.695 -21.168 1.00 21.86 N ATOM 2245 CA LYS B 102 -3.086 13.877 -21.646 1.00 21.66 C ATOM 2246 C LYS B 102 -3.375 12.377 -21.721 1.00 21.27 C ATOM 2247 O LYS B 102 -2.740 11.636 -22.492 1.00 20.45 O ATOM 2248 CB LYS B 102 -1.815 14.126 -20.793 1.00 22.26 C ATOM 2249 CG LYS B 102 -1.273 15.524 -20.850 1.00 21.63 C ATOM 2250 CD LYS B 102 -0.848 15.881 -22.281 1.00 30.46 C ATOM 2251 CE LYS B 102 -0.583 17.389 -22.440 1.00 36.85 C ATOM 2252 NZ LYS B 102 0.477 17.812 -21.452 1.00 38.32 N ATOM 2253 HZ1 LYS B 102 0.147 17.614 -20.486 1.00 0.00 H ATOM 2254 HZ2 LYS B 102 1.352 17.281 -21.636 1.00 0.00 H ATOM 2255 HZ3 LYS B 102 0.659 18.831 -21.556 1.00 0.00 H ATOM 2256 H LYS B 102 -4.570 14.522 -20.219 1.00 0.00 H ATOM 2257 N PHE B 103 -4.363 11.943 -20.948 1.00 21.89 N ATOM 2258 CA PHE B 103 -4.680 10.507 -20.734 1.00 21.35 C ATOM 2259 C PHE B 103 -6.192 10.357 -20.959 1.00 21.12 C ATOM 2260 O PHE B 103 -6.950 11.150 -20.431 1.00 21.30 O ATOM 2261 CB PHE B 103 -4.255 10.123 -19.298 1.00 20.69 C ATOM 2262 CG PHE B 103 -4.809 8.804 -18.803 1.00 21.40 C ATOM 2263 CD1 PHE B 103 -4.314 7.594 -19.280 1.00 22.40 C ATOM 2264 CD2 PHE B 103 -5.780 8.776 -17.808 1.00 19.63 C ATOM 2265 CE1 PHE B 103 -4.839 6.347 -18.799 1.00 20.57 C ATOM 2266 CE2 PHE B 103 -6.286 7.567 -17.351 1.00 18.59 C ATOM 2267 CZ PHE B 103 -5.795 6.362 -17.837 1.00 18.96 C ATOM 2268 H PHE B 103 -4.951 12.651 -20.463 1.00 0.00 H ATOM 2269 N PRO B 104 -6.621 9.374 -21.791 1.00 21.49 N ATOM 2270 CA PRO B 104 -8.021 9.205 -22.237 1.00 22.13 C ATOM 2271 C PRO B 104 -8.905 8.344 -21.346 1.00 22.35 C ATOM 2272 O PRO B 104 -10.097 8.192 -21.619 1.00 22.85 O ATOM 2273 CB PRO B 104 -7.864 8.495 -23.595 1.00 22.10 C ATOM 2274 CG PRO B 104 -6.600 7.755 -23.472 1.00 24.04 C ATOM 2275 CD PRO B 104 -5.689 8.561 -22.599 1.00 21.25 C ATOM 2276 N GLY B 105 -8.336 7.753 -20.306 1.00 21.91 N ATOM 2277 CA GLY B 105 -9.101 6.835 -19.491 1.00 21.24 C ATOM 2278 C GLY B 105 -9.716 7.495 -18.273 1.00 20.15 C ATOM 2279 O GLY B 105 -9.770 8.753 -18.162 1.00 21.59 O ATOM 2280 H GLY B 105 -7.341 7.949 -20.076 1.00 0.00 H ATOM 2281 N HIS B 106 -10.132 6.649 -17.346 1.00 19.66 N ATOM 2282 CA HIS B 106 -10.852 7.072 -16.141 1.00 20.35 C ATOM 2283 C HIS B 106 -9.847 7.766 -15.200 1.00 20.52 C ATOM 2284 O HIS B 106 -8.847 7.181 -14.852 1.00 21.53 O ATOM 2285 CB HIS B 106 -11.430 5.831 -15.490 1.00 20.06 C ATOM 2286 CG HIS B 106 -12.191 6.100 -14.232 1.00 20.12 C ATOM 2287 ND1 HIS B 106 -12.583 5.086 -13.392 1.00 20.87 N ATOM 2288 CD2 HIS B 106 -12.628 7.253 -13.665 1.00 19.76 C ATOM 2289 CE1 HIS B 106 -13.226 5.598 -12.358 1.00 20.29 C ATOM 2290 NE2 HIS B 106 -13.276 6.909 -12.499 1.00 19.10 N ATOM 2291 H HIS B 106 -9.939 5.636 -17.478 1.00 0.00 H ATOM 2292 N VAL B 107 -10.099 9.006 -14.792 1.00 21.68 N ATOM 2293 CA VAL B 107 -9.260 9.672 -13.782 1.00 20.99 C ATOM 2294 C VAL B 107 -10.104 9.930 -12.527 1.00 21.24 C ATOM 2295 O VAL B 107 -11.143 10.652 -12.557 1.00 20.53 O ATOM 2296 CB VAL B 107 -8.656 11.016 -14.278 1.00 20.17 C ATOM 2297 CG1 VAL B 107 -7.895 11.743 -13.122 1.00 17.13 C ATOM 2298 CG2 VAL B 107 -7.787 10.800 -15.542 1.00 19.24 C ATOM 2299 H VAL B 107 -10.909 9.518 -15.196 1.00 0.00 H ATOM 2300 N HIS B 108 -9.693 9.308 -11.418 1.00 20.14 N ATOM 2301 CA HIS B 108 -10.391 9.497 -10.146 1.00 20.90 C ATOM 2302 C HIS B 108 -9.521 10.208 -9.140 1.00 21.28 C ATOM 2303 O HIS B 108 -8.496 9.654 -8.731 1.00 21.69 O ATOM 2304 CB HIS B 108 -10.847 8.161 -9.538 1.00 20.85 C ATOM 2305 CG HIS B 108 -11.574 8.328 -8.229 1.00 22.48 C ATOM 2306 ND1 HIS B 108 -12.941 8.496 -8.155 1.00 22.86 N ATOM 2307 CD2 HIS B 108 -11.124 8.369 -6.949 1.00 23.53 C ATOM 2308 CE1 HIS B 108 -13.302 8.627 -6.889 1.00 23.13 C ATOM 2309 NE2 HIS B 108 -12.221 8.540 -6.138 1.00 22.02 N ATOM 2310 H HIS B 108 -8.865 8.680 -11.460 1.00 0.00 H ATOM 2311 N ARG B 109 -9.886 11.440 -8.768 1.00 21.75 N ATOM 2312 CA ARG B 109 -9.163 12.133 -7.724 1.00 21.91 C ATOM 2313 C ARG B 109 -9.844 11.819 -6.413 1.00 22.98 C ATOM 2314 O ARG B 109 -11.024 12.164 -6.224 1.00 23.58 O ATOM 2315 CB ARG B 109 -9.158 13.666 -7.941 1.00 23.29 C ATOM 2316 CG ARG B 109 -8.288 14.415 -6.925 1.00 21.44 C ATOM 2317 CD ARG B 109 -8.216 15.936 -7.182 1.00 24.86 C ATOM 2318 NE ARG B 109 -9.506 16.619 -7.170 1.00 29.07 N ATOM 2319 CZ ARG B 109 -10.214 16.856 -6.061 1.00 32.18 C ATOM 2320 NH1 ARG B 109 -9.793 16.424 -4.876 1.00 36.56 N ATOM 2321 NH2 ARG B 109 -11.353 17.501 -6.144 1.00 36.54 N ATOM 2322 HE ARG B 109 -9.898 16.940 -8.078 1.00 0.00 H ATOM 2323 HH12 ARG B 109 -10.355 16.617 -4.023 1.00 0.00 H ATOM 2324 HH11 ARG B 109 -8.901 15.894 -4.803 1.00 0.00 H ATOM 2325 HH22 ARG B 109 -11.908 17.688 -5.285 1.00 0.00 H ATOM 2326 HH21 ARG B 109 -11.701 17.825 -7.069 1.00 0.00 H ATOM 2327 H ARG B 109 -10.694 11.902 -9.232 1.00 0.00 H ATOM 2328 N ALA B 110 -9.112 11.169 -5.505 1.00 22.47 N ATOM 2329 CA ALA B 110 -9.662 10.811 -4.197 1.00 22.42 C ATOM 2330 C ALA B 110 -9.671 12.073 -3.350 1.00 22.25 C ATOM 2331 O ALA B 110 -8.881 12.988 -3.600 1.00 22.33 O ATOM 2332 CB ALA B 110 -8.807 9.741 -3.546 1.00 21.63 C ATOM 2333 H ALA B 110 -8.130 10.912 -5.732 1.00 0.00 H ATOM 2334 N PRO B 111 -10.567 12.142 -2.346 1.00 22.99 N ATOM 2335 CA PRO B 111 -10.722 13.387 -1.554 1.00 23.37 C ATOM 2336 C PRO B 111 -9.475 13.787 -0.764 1.00 23.10 C ATOM 2337 O PRO B 111 -8.716 12.926 -0.321 1.00 23.90 O ATOM 2338 CB PRO B 111 -11.882 13.090 -0.583 1.00 23.54 C ATOM 2339 CG PRO B 111 -12.142 11.603 -0.702 1.00 22.89 C ATOM 2340 CD PRO B 111 -11.531 11.083 -1.967 1.00 22.73 C ATOM 2341 N PHE B 112 -9.309 15.089 -0.584 1.00 23.12 N ATOM 2342 CA PHE B 112 -8.187 15.666 0.125 1.00 23.60 C ATOM 2343 C PHE B 112 -8.571 16.102 1.549 1.00 24.47 C ATOM 2344 O PHE B 112 -9.674 16.628 1.753 1.00 25.60 O ATOM 2345 CB PHE B 112 -7.714 16.882 -0.695 1.00 24.29 C ATOM 2346 CG PHE B 112 -6.505 17.569 -0.134 1.00 22.96 C ATOM 2347 CD1 PHE B 112 -6.615 18.458 0.942 1.00 23.27 C ATOM 2348 CD2 PHE B 112 -5.251 17.341 -0.675 1.00 21.79 C ATOM 2349 CE1 PHE B 112 -5.494 19.100 1.465 1.00 23.11 C ATOM 2350 CE2 PHE B 112 -4.130 17.970 -0.137 1.00 18.80 C ATOM 2351 CZ PHE B 112 -4.240 18.856 0.904 1.00 19.76 C ATOM 2352 H PHE B 112 -10.026 15.733 -0.975 1.00 0.00 H ATOM 2353 N GLY B 113 -7.662 15.934 2.524 1.00 24.06 N ATOM 2354 CA GLY B 113 -7.884 16.400 3.909 1.00 24.02 C ATOM 2355 C GLY B 113 -8.454 15.408 4.928 1.00 24.75 C ATOM 2356 O GLY B 113 -8.768 15.814 6.047 1.00 26.50 O ATOM 2357 H GLY B 113 -6.767 15.457 2.295 1.00 0.00 H ATOM 2358 N TRP B 114 -8.579 14.122 4.571 1.00 25.24 N ATOM 2359 CA TRP B 114 -9.098 13.069 5.464 1.00 25.52 C ATOM 2360 C TRP B 114 -8.049 11.993 5.779 1.00 25.55 C ATOM 2361 O TRP B 114 -7.114 11.760 4.986 1.00 25.22 O ATOM 2362 CB TRP B 114 -10.319 12.361 4.844 1.00 26.44 C ATOM 2363 CG TRP B 114 -11.412 13.318 4.510 1.00 29.03 C ATOM 2364 CD1 TRP B 114 -11.482 14.139 3.408 1.00 31.38 C ATOM 2365 CD2 TRP B 114 -12.596 13.580 5.285 1.00 29.24 C ATOM 2366 NE1 TRP B 114 -12.639 14.907 3.458 1.00 30.56 N ATOM 2367 CE2 TRP B 114 -13.337 14.582 4.595 1.00 30.10 C ATOM 2368 CE3 TRP B 114 -13.096 13.076 6.499 1.00 29.72 C ATOM 2369 CZ2 TRP B 114 -14.557 15.095 5.086 1.00 30.99 C ATOM 2370 CZ3 TRP B 114 -14.306 13.585 6.988 1.00 29.43 C ATOM 2371 CH2 TRP B 114 -15.026 14.578 6.274 1.00 31.25 C ATOM 2372 HE1 TRP B 114 -12.929 15.612 2.751 1.00 0.00 H ATOM 2373 H TRP B 114 -8.293 13.851 3.608 1.00 0.00 H ATOM 2374 N TYR B 115 -8.200 11.327 6.930 1.00 24.18 N ATOM 2375 CA TYR B 115 -7.492 10.080 7.142 1.00 24.07 C ATOM 2376 C TYR B 115 -8.283 9.061 6.372 1.00 24.89 C ATOM 2377 O TYR B 115 -9.521 9.206 6.197 1.00 26.51 O ATOM 2378 CB TYR B 115 -7.420 9.732 8.634 1.00 23.83 C ATOM 2379 CG TYR B 115 -6.660 10.736 9.432 1.00 24.91 C ATOM 2380 CD1 TYR B 115 -5.285 10.910 9.244 1.00 26.47 C ATOM 2381 CD2 TYR B 115 -7.293 11.521 10.394 1.00 24.66 C ATOM 2382 CE1 TYR B 115 -4.581 11.856 9.962 1.00 25.56 C ATOM 2383 CE2 TYR B 115 -6.575 12.484 11.121 1.00 26.96 C ATOM 2384 CZ TYR B 115 -5.228 12.620 10.911 1.00 26.92 C ATOM 2385 OH TYR B 115 -4.504 13.558 11.615 1.00 27.20 O ATOM 2386 HH TYR B 115 -3.555 13.517 11.337 1.00 0.00 H ATOM 2387 H TYR B 115 -8.825 11.704 7.671 1.00 0.00 H ATOM 2388 N LYS B 116 -7.627 8.027 5.887 1.00 24.77 N ATOM 2389 CA LYS B 116 -8.337 7.048 5.094 1.00 25.67 C ATOM 2390 C LYS B 116 -7.935 5.653 5.444 1.00 25.76 C ATOM 2391 O LYS B 116 -6.802 5.404 5.839 1.00 26.20 O ATOM 2392 CB LYS B 116 -8.091 7.244 3.586 1.00 25.47 C ATOM 2393 CG LYS B 116 -8.627 8.579 3.006 1.00 25.26 C ATOM 2394 CD LYS B 116 -8.374 8.584 1.518 1.00 26.59 C ATOM 2395 CE LYS B 116 -8.892 9.825 0.837 1.00 28.86 C ATOM 2396 NZ LYS B 116 -7.887 10.209 -0.272 1.00 28.53 N ATOM 2397 HZ1 LYS B 116 -6.956 10.392 0.154 1.00 0.00 H ATOM 2398 HZ2 LYS B 116 -7.810 9.428 -0.954 1.00 0.00 H ATOM 2399 HZ3 LYS B 116 -8.221 11.065 -0.760 1.00 0.00 H ATOM 2400 H LYS B 116 -6.610 7.916 6.072 1.00 0.00 H ATOM 2401 N SER B 117 -8.846 4.728 5.227 1.00 26.17 N ATOM 2402 CA SER B 117 -8.488 3.333 5.257 1.00 26.69 C ATOM 2403 C SER B 117 -8.377 3.008 3.796 1.00 27.12 C ATOM 2404 O SER B 117 -9.012 3.672 2.959 1.00 26.84 O ATOM 2405 CB SER B 117 -9.566 2.502 5.968 1.00 27.55 C ATOM 2406 OG SER B 117 -10.805 2.485 5.255 1.00 28.65 O ATOM 2407 HG SER B 117 -10.662 2.094 4.357 1.00 0.00 H ATOM 2408 H SER B 117 -9.829 5.006 5.033 1.00 0.00 H ATOM 2409 N PHE B 118 -7.525 2.053 3.456 1.00 26.97 N ATOM 2410 CA PHE B 118 -7.465 1.622 2.082 1.00 27.01 C ATOM 2411 C PHE B 118 -7.003 0.197 2.008 1.00 27.88 C ATOM 2412 O PHE B 118 -6.467 -0.373 2.979 1.00 27.52 O ATOM 2413 CB PHE B 118 -6.608 2.546 1.206 1.00 26.34 C ATOM 2414 CG PHE B 118 -5.113 2.339 1.363 1.00 25.49 C ATOM 2415 CD1 PHE B 118 -4.363 3.178 2.188 1.00 23.41 C ATOM 2416 CD2 PHE B 118 -4.472 1.294 0.697 1.00 24.05 C ATOM 2417 CE1 PHE B 118 -2.973 3.002 2.321 1.00 23.14 C ATOM 2418 CE2 PHE B 118 -3.072 1.105 0.845 1.00 25.00 C ATOM 2419 CZ PHE B 118 -2.344 1.958 1.649 1.00 21.20 C ATOM 2420 H PHE B 118 -6.907 1.619 4.171 1.00 0.00 H ATOM 2421 N SER B 119 -7.229 -0.377 0.838 1.00 28.10 N ATOM 2422 CA SER B 119 -6.798 -1.691 0.565 1.00 29.01 C ATOM 2423 C SER B 119 -6.306 -1.673 -0.879 1.00 28.76 C ATOM 2424 O SER B 119 -6.926 -1.035 -1.733 1.00 29.38 O ATOM 2425 CB SER B 119 -7.984 -2.619 0.779 1.00 29.24 C ATOM 2426 OG SER B 119 -7.563 -3.936 0.594 1.00 33.28 O ATOM 2427 HG SER B 119 -8.329 -4.548 0.731 1.00 0.00 H ATOM 2428 H SER B 119 -7.737 0.154 0.102 1.00 0.00 H ATOM 2429 N ILE B 120 -5.172 -2.315 -1.141 1.00 27.99 N ATOM 2430 CA ILE B 120 -4.589 -2.396 -2.483 1.00 27.99 C ATOM 2431 C ILE B 120 -3.972 -3.751 -2.687 1.00 29.16 C ATOM 2432 O ILE B 120 -3.390 -4.309 -1.749 1.00 29.55 O ATOM 2433 CB ILE B 120 -3.466 -1.333 -2.695 1.00 28.10 C ATOM 2434 CG1 ILE B 120 -3.037 -1.258 -4.164 1.00 24.75 C ATOM 2435 CG2 ILE B 120 -2.210 -1.622 -1.786 1.00 27.69 C ATOM 2436 CD1 ILE B 120 -2.184 -0.025 -4.482 1.00 25.29 C ATOM 2437 H ILE B 120 -4.675 -2.782 -0.356 1.00 0.00 H ATOM 2438 N ALA B 121 -4.058 -4.270 -3.910 1.00 29.31 N ATOM 2439 CA ALA B 121 -3.297 -5.431 -4.298 1.00 29.55 C ATOM 2440 C ALA B 121 -2.414 -4.987 -5.445 1.00 29.63 C ATOM 2441 O ALA B 121 -2.875 -4.721 -6.580 1.00 29.34 O ATOM 2442 CB ALA B 121 -4.211 -6.597 -4.712 1.00 29.88 C ATOM 2443 H ALA B 121 -4.692 -3.825 -4.605 1.00 0.00 H ATOM 2444 N CYS B 122 -1.136 -4.854 -5.129 1.00 27.66 N ATOM 2445 CA CYS B 122 -0.176 -4.308 -6.022 1.00 27.97 C ATOM 2446 C CYS B 122 0.482 -5.446 -6.781 1.00 28.77 C ATOM 2447 O CYS B 122 0.919 -6.424 -6.174 1.00 28.12 O ATOM 2448 CB CYS B 122 0.876 -3.583 -5.187 1.00 28.35 C ATOM 2449 SG CYS B 122 2.128 -2.779 -6.104 1.00 29.53 S ATOM 2450 H CYS B 122 -0.821 -5.162 -4.187 1.00 0.00 H ATOM 2451 N LYS B 123 0.582 -5.288 -8.106 1.00 28.25 N ATOM 2452 CA LYS B 123 1.163 -6.289 -8.996 1.00 29.04 C ATOM 2453 C LYS B 123 2.647 -6.483 -8.781 1.00 29.29 C ATOM 2454 O LYS B 123 3.360 -5.547 -8.369 1.00 27.22 O ATOM 2455 CB LYS B 123 0.963 -5.895 -10.466 1.00 29.28 C ATOM 2456 CG LYS B 123 -0.496 -5.945 -10.925 1.00 30.63 C ATOM 2457 CD LYS B 123 -0.548 -5.673 -12.417 1.00 29.72 C ATOM 2458 CE LYS B 123 -1.968 -5.800 -12.899 1.00 33.26 C ATOM 2459 NZ LYS B 123 -2.243 -7.246 -13.136 1.00 36.44 N ATOM 2460 HZ1 LYS B 123 -1.584 -7.610 -13.854 1.00 0.00 H ATOM 2461 HZ2 LYS B 123 -2.115 -7.772 -12.248 1.00 0.00 H ATOM 2462 HZ3 LYS B 123 -3.221 -7.361 -13.471 1.00 0.00 H ATOM 2463 H LYS B 123 0.227 -4.405 -8.524 1.00 0.00 H ATOM 2464 N GLY B 124 3.106 -7.690 -9.134 1.00 27.81 N ATOM 2465 CA GLY B 124 4.484 -8.067 -8.963 1.00 27.19 C ATOM 2466 C GLY B 124 5.462 -7.735 -10.065 1.00 26.68 C ATOM 2467 O GLY B 124 6.669 -7.918 -9.886 1.00 26.76 O ATOM 2468 H GLY B 124 2.444 -8.378 -9.546 1.00 0.00 H ATOM 2469 N HIS B 125 4.985 -7.255 -11.212 1.00 26.89 N ATOM 2470 CA HIS B 125 5.893 -7.042 -12.328 1.00 27.22 C ATOM 2471 C HIS B 125 6.868 -5.901 -12.047 1.00 27.00 C ATOM 2472 O HIS B 125 6.620 -5.085 -11.139 1.00 27.95 O ATOM 2473 CB HIS B 125 5.139 -6.875 -13.672 1.00 28.26 C ATOM 2474 CG HIS B 125 4.466 -5.541 -13.862 1.00 27.49 C ATOM 2475 ND1 HIS B 125 5.140 -4.413 -14.281 1.00 27.27 N ATOM 2476 CD2 HIS B 125 3.162 -5.180 -13.746 1.00 26.22 C ATOM 2477 CE1 HIS B 125 4.282 -3.415 -14.416 1.00 28.79 C ATOM 2478 NE2 HIS B 125 3.076 -3.850 -14.084 1.00 25.47 N ATOM 2479 H HIS B 125 3.973 -7.035 -11.309 1.00 0.00 H ATOM 2480 N PRO B 126 7.975 -5.851 -12.801 1.00 27.26 N ATOM 2481 CA PRO B 126 9.091 -4.948 -12.598 1.00 27.21 C ATOM 2482 C PRO B 126 8.749 -3.457 -12.599 1.00 27.89 C ATOM 2483 O PRO B 126 9.451 -2.668 -11.948 1.00 27.64 O ATOM 2484 CB PRO B 126 10.001 -5.269 -13.769 1.00 27.82 C ATOM 2485 CG PRO B 126 9.785 -6.787 -13.922 1.00 27.92 C ATOM 2486 CD PRO B 126 8.305 -6.900 -13.797 1.00 27.15 C ATOM 2487 N LEU B 127 7.688 -3.075 -13.299 1.00 27.17 N ATOM 2488 CA LEU B 127 7.321 -1.661 -13.376 1.00 26.24 C ATOM 2489 C LEU B 127 6.105 -1.390 -12.543 1.00 24.83 C ATOM 2490 O LEU B 127 5.520 -0.332 -12.673 1.00 25.30 O ATOM 2491 CB LEU B 127 7.087 -1.233 -14.842 1.00 27.01 C ATOM 2492 CG LEU B 127 8.281 -1.300 -15.791 1.00 29.45 C ATOM 2493 CD1 LEU B 127 7.822 -1.086 -17.236 1.00 34.34 C ATOM 2494 CD2 LEU B 127 9.362 -0.314 -15.409 1.00 33.82 C ATOM 2495 H LEU B 127 7.114 -3.786 -13.796 1.00 0.00 H ATOM 2496 N ALA B 128 5.734 -2.304 -11.652 1.00 24.12 N ATOM 2497 CA ALA B 128 4.505 -2.130 -10.886 1.00 23.68 C ATOM 2498 C ALA B 128 4.649 -1.142 -9.740 1.00 23.11 C ATOM 2499 O ALA B 128 3.650 -0.721 -9.178 1.00 21.92 O ATOM 2500 CB ALA B 128 3.994 -3.445 -10.363 1.00 24.39 C ATOM 2501 H ALA B 128 6.323 -3.148 -11.500 1.00 0.00 H ATOM 2502 N GLU B 129 5.888 -0.810 -9.368 1.00 23.22 N ATOM 2503 CA GLU B 129 6.122 0.143 -8.257 1.00 22.43 C ATOM 2504 C GLU B 129 7.311 1.006 -8.622 1.00 22.04 C ATOM 2505 O GLU B 129 8.413 0.487 -8.830 1.00 21.71 O ATOM 2506 CB GLU B 129 6.390 -0.597 -6.938 1.00 22.31 C ATOM 2507 CG GLU B 129 5.271 -1.500 -6.567 1.00 24.82 C ATOM 2508 CD GLU B 129 5.559 -2.303 -5.306 1.00 27.27 C ATOM 2509 OE1 GLU B 129 5.779 -3.532 -5.432 1.00 27.92 O ATOM 2510 OE2 GLU B 129 5.570 -1.694 -4.216 1.00 26.46 O ATOM 2511 H GLU B 129 6.701 -1.226 -9.865 1.00 0.00 H ATOM 2512 N LEU B 130 7.091 2.317 -8.732 1.00 22.39 N ATOM 2513 CA LEU B 130 8.137 3.258 -9.145 1.00 23.65 C ATOM 2514 C LEU B 130 7.818 4.591 -8.507 1.00 22.23 C ATOM 2515 O LEU B 130 6.663 4.864 -8.242 1.00 21.98 O ATOM 2516 CB LEU B 130 8.106 3.498 -10.667 1.00 25.38 C ATOM 2517 CG LEU B 130 8.230 2.441 -11.753 1.00 28.39 C ATOM 2518 CD1 LEU B 130 8.148 3.150 -13.043 1.00 28.63 C ATOM 2519 CD2 LEU B 130 9.557 1.692 -11.641 1.00 33.20 C ATOM 2520 H LEU B 130 6.143 2.685 -8.517 1.00 0.00 H ATOM 2521 N SER B 131 8.815 5.426 -8.254 1.00 22.21 N ATOM 2522 CA SER B 131 8.506 6.778 -7.732 1.00 22.96 C ATOM 2523 C SER B 131 9.091 7.791 -8.664 1.00 22.09 C ATOM 2524 O SER B 131 10.043 7.469 -9.391 1.00 22.08 O ATOM 2525 CB SER B 131 9.030 6.991 -6.310 1.00 23.76 C ATOM 2526 OG SER B 131 10.447 7.046 -6.361 1.00 30.09 O ATOM 2527 HG SER B 131 10.796 6.195 -6.728 1.00 0.00 H ATOM 2528 H SER B 131 9.800 5.137 -8.419 1.00 0.00 H ATOM 2529 N ARG B 132 8.504 9.001 -8.678 1.00 21.70 N ATOM 2530 CA ARG B 132 8.844 10.024 -9.661 1.00 22.90 C ATOM 2531 C ARG B 132 8.715 11.382 -8.972 1.00 22.98 C ATOM 2532 O ARG B 132 7.846 11.544 -8.120 1.00 23.20 O ATOM 2533 CB ARG B 132 7.947 9.907 -10.938 1.00 22.77 C ATOM 2534 CG ARG B 132 8.129 8.555 -11.683 1.00 26.44 C ATOM 2535 CD ARG B 132 8.561 8.657 -13.134 1.00 28.05 C ATOM 2536 NE ARG B 132 9.068 7.390 -13.672 1.00 29.84 N ATOM 2537 CZ ARG B 132 8.786 6.920 -14.899 1.00 31.87 C ATOM 2538 NH1 ARG B 132 7.959 7.566 -15.723 1.00 32.25 N ATOM 2539 NH2 ARG B 132 9.300 5.764 -15.307 1.00 33.51 N ATOM 2540 HE ARG B 132 9.687 6.817 -13.063 1.00 0.00 H ATOM 2541 HH12 ARG B 132 7.759 7.179 -16.667 1.00 0.00 H ATOM 2542 HH11 ARG B 132 7.515 8.456 -15.421 1.00 0.00 H ATOM 2543 HH22 ARG B 132 9.080 5.403 -16.257 1.00 0.00 H ATOM 2544 HH21 ARG B 132 9.923 5.220 -14.676 1.00 0.00 H ATOM 2545 H ARG B 132 7.781 9.215 -7.962 1.00 0.00 H ATOM 2546 N SER B 133 9.613 12.318 -9.288 1.00 22.12 N ATOM 2547 CA SER B 133 9.531 13.703 -8.766 1.00 22.93 C ATOM 2548 C SER B 133 9.449 14.701 -9.856 1.00 22.11 C ATOM 2549 O SER B 133 10.020 14.483 -10.908 1.00 21.92 O ATOM 2550 CB SER B 133 10.735 14.041 -7.930 1.00 23.07 C ATOM 2551 OG SER B 133 10.657 13.217 -6.800 1.00 27.81 O ATOM 2552 HG SER B 133 11.430 13.397 -6.208 1.00 0.00 H ATOM 2553 H SER B 133 10.398 12.067 -9.923 1.00 0.00 H ATOM 2554 N PHE B 134 8.765 15.810 -9.600 1.00 21.86 N ATOM 2555 CA PHE B 134 8.625 16.866 -10.597 1.00 22.72 C ATOM 2556 C PHE B 134 8.753 18.177 -9.896 1.00 23.35 C ATOM 2557 O PHE B 134 8.420 18.279 -8.728 1.00 24.13 O ATOM 2558 CB PHE B 134 7.280 16.742 -11.350 1.00 21.84 C ATOM 2559 CG PHE B 134 7.092 15.396 -11.990 1.00 21.90 C ATOM 2560 CD1 PHE B 134 7.592 15.154 -13.265 1.00 19.64 C ATOM 2561 CD2 PHE B 134 6.491 14.355 -11.303 1.00 18.88 C ATOM 2562 CE1 PHE B 134 7.490 13.913 -13.845 1.00 21.75 C ATOM 2563 CE2 PHE B 134 6.396 13.109 -11.877 1.00 18.59 C ATOM 2564 CZ PHE B 134 6.882 12.882 -13.158 1.00 18.97 C ATOM 2565 H PHE B 134 8.319 15.929 -8.668 1.00 0.00 H ATOM 2566 N THR B 135 9.287 19.174 -10.590 1.00 25.11 N ATOM 2567 CA THR B 135 9.589 20.449 -9.991 1.00 27.45 C ATOM 2568 C THR B 135 9.503 21.457 -11.121 1.00 28.74 C ATOM 2569 O THR B 135 9.286 21.090 -12.294 1.00 28.53 O ATOM 2570 CB THR B 135 11.077 20.490 -9.486 1.00 28.38 C ATOM 2571 OG1 THR B 135 11.961 20.343 -10.619 1.00 31.01 O ATOM 2572 CG2 THR B 135 11.402 19.393 -8.458 1.00 28.27 C ATOM 2573 HG1 THR B 135 12.901 20.368 -10.308 1.00 0.00 H ATOM 2574 H THR B 135 9.494 19.030 -11.599 1.00 0.00 H ATOM 2575 N GLU B 136 9.692 22.725 -10.772 1.00 30.33 N ATOM 2576 CA GLU B 136 9.842 23.791 -11.763 1.00 33.00 C ATOM 2577 C GLU B 136 10.750 24.894 -11.222 1.00 34.89 C ATOM 2578 O GLU B 136 11.208 24.855 -10.059 1.00 36.00 O ATOM 2579 CB GLU B 136 8.489 24.383 -12.095 1.00 32.84 C ATOM 2580 CG GLU B 136 7.838 25.076 -10.916 1.00 31.89 C ATOM 2581 CD GLU B 136 6.401 25.377 -11.238 1.00 35.09 C ATOM 2582 OE1 GLU B 136 5.599 24.440 -11.277 1.00 31.30 O ATOM 2583 OE2 GLU B 136 6.090 26.545 -11.499 1.00 36.92 O ATOM 2584 OXT GLU B 136 10.999 25.871 -11.942 1.00 36.90 O ATOM 2585 H GLU B 136 9.735 22.968 -9.762 1.00 0.00 H TER 2586 GLU B 136 HETATM 2587 O HOH 1 6.540 -4.539 -2.967 1.00 25.19 O HETATM 2588 O HOH 2 2.341 -12.183 13.790 1.00 26.25 O HETATM 2589 O HOH 3 11.312 -5.783 -1.328 1.00 29.26 O HETATM 2590 O HOH 4 12.575 -8.297 -2.327 1.00 27.13 O HETATM 2591 O HOH 5 30.232 3.195 -6.684 1.00 31.51 O HETATM 2592 O HOH 6 12.473 -12.192 9.883 1.00 30.24 O HETATM 2593 O HOH 7 14.905 6.513 18.048 1.00 25.55 O HETATM 2594 O HOH 8 11.101 -13.768 12.366 1.00 23.45 O HETATM 2595 O HOH 9 8.315 -9.626 -11.171 1.00 28.21 O HETATM 2596 O HOH 10 1.472 3.804 11.519 1.00 24.64 O HETATM 2597 O HOH 11 -2.167 8.963 9.084 1.00 27.24 O HETATM 2598 O HOH 12 14.450 5.413 -5.183 1.00 26.59 O HETATM 2599 O HOH 13 17.669 -11.191 14.039 1.00 29.05 O HETATM 2600 O HOH 14 6.345 6.652 19.036 1.00 31.32 O HETATM 2601 O HOH 15 -0.117 -11.726 12.506 1.00 32.34 O HETATM 2602 O HOH 16 20.250 0.175 -3.992 1.00 32.74 O HETATM 2603 O HOH 17 13.072 10.632 13.197 1.00 23.28 O HETATM 2604 O HOH 18 10.050 -15.347 -6.357 1.00 28.68 O HETATM 2605 O HOH 19 0.537 -9.806 16.597 1.00 28.65 O HETATM 2606 O HOH 20 24.499 2.098 4.485 1.00 31.22 O HETATM 2607 O HOH 21 28.291 7.956 -2.244 1.00 38.46 O HETATM 2608 O HOH 22 12.900 -11.457 18.825 1.00 24.77 O HETATM 2609 O HOH 23 3.418 -21.009 -2.312 1.00 27.61 O HETATM 2610 O HOH 24 18.948 14.787 5.942 1.00 27.40 O HETATM 2611 O HOH 25 15.347 12.187 -1.452 1.00 35.26 O HETATM 2612 O HOH 26 -5.066 -9.792 13.756 1.00 38.32 O HETATM 2613 O HOH 27 11.149 -9.421 19.007 1.00 29.28 O HETATM 2614 O HOH 28 30.597 1.194 -2.196 1.00 35.72 O HETATM 2615 O HOH 29 -3.841 -10.227 3.261 1.00 46.87 O HETATM 2616 O HOH 30 17.908 -1.731 -7.169 1.00 35.66 O HETATM 2617 O HOH 31 11.226 -2.267 -7.354 1.00 32.25 O HETATM 2618 O HOH 32 18.955 -8.985 18.328 1.00 41.82 O HETATM 2619 O HOH 33 7.526 -2.195 21.548 1.00 31.16 O HETATM 2620 O HOH 34 21.644 8.551 6.273 1.00 30.60 O HETATM 2621 O HOH 35 21.786 9.989 2.717 1.00 37.52 O HETATM 2622 O HOH 36 25.777 2.932 -0.495 1.00 30.22 O HETATM 2623 O HOH 37 19.649 -9.625 11.952 1.00 41.26 O HETATM 2624 O HOH 38 26.117 -5.936 10.005 1.00 40.42 O HETATM 2625 O HOH 39 -4.868 5.009 7.044 1.00 19.08 O HETATM 2626 O HOH 40 8.210 8.415 2.697 1.00 28.38 O HETATM 2627 O HOH 41 27.611 3.205 6.690 1.00 41.25 O HETATM 2628 O HOH 42 20.171 9.966 4.699 1.00 32.96 O HETATM 2629 O HOH 43 23.256 -8.915 -7.698 1.00 45.22 O HETATM 2630 O HOH 44 21.896 -6.283 -9.505 1.00 45.08 O HETATM 2631 O HOH 45 -0.457 -6.480 16.248 1.00 37.85 O HETATM 2632 O HOH 46 26.219 9.258 7.822 1.00 36.34 O HETATM 2633 O HOH 47 27.952 -2.001 10.594 1.00 43.95 O HETATM 2634 O HOH 48 11.928 -0.507 23.716 1.00 43.15 O HETATM 2635 O HOH 49 2.161 -12.703 -7.325 1.00 38.61 O HETATM 2636 O HOH 50 5.589 -18.134 -2.796 1.00 44.53 O HETATM 2637 O HOH 51 -3.543 -2.080 18.201 1.00 46.92 O HETATM 2638 O HOH 52 28.340 -1.127 4.551 1.00 49.62 O HETATM 2639 O HOH 53 0.663 -10.668 -3.256 1.00 36.75 O HETATM 2640 O HOH 54 11.967 2.119 22.201 1.00 42.42 O HETATM 2641 O HOH 55 -3.083 -11.737 5.747 1.00 45.73 O HETATM 2642 O HOH 56 -1.191 -9.789 14.578 1.00 35.97 O HETATM 2643 O HOH 57 -3.349 -14.886 7.421 1.00 50.80 O HETATM 2644 O HOH 58 0.346 0.644 25.215 1.00 44.67 O HETATM 2645 O HOH 59 27.657 12.811 10.289 1.00 64.89 O HETATM 2646 O HOH 60 6.572 -10.542 -13.447 1.00 25.78 O HETATM 2647 O HOH 61 8.984 -14.220 10.693 1.00 22.12 O HETATM 2648 O HOH 62 6.732 -17.328 -4.831 1.00 42.65 O HETATM 2649 O HOH 63 11.314 4.435 -7.591 1.00 28.35 O HETATM 2650 O HOH 64 17.563 -9.968 20.489 1.00 34.63 O HETATM 2651 O HOH 65 16.654 6.723 20.558 1.00 29.59 O HETATM 2652 O HOH 66 12.182 6.967 19.858 1.00 44.70 O HETATM 2653 O HOH 67 0.234 -13.001 -1.512 1.00 57.53 O HETATM 2654 O HOH 68 9.428 -14.703 2.853 1.00 32.78 O HETATM 2655 O HOH 69 22.042 -4.878 15.070 1.00 36.26 O HETATM 2656 O HOH 70 -6.633 -5.458 13.951 1.00 43.14 O HETATM 2657 O HOH 71 13.114 -14.467 8.120 1.00 49.85 O HETATM 2658 O HOH 72 20.885 12.714 5.867 1.00 50.25 O HETATM 2659 O HOH 73 13.934 -1.610 -8.224 1.00 34.39 O HETATM 2660 O HOH 74 5.736 -3.243 22.864 1.00 38.92 O HETATM 2661 O HOH 75 13.822 12.093 4.459 1.00 42.39 O HETATM 2662 O HOH 76 21.975 5.234 17.758 1.00 38.62 O HETATM 2663 O HOH 77 3.388 7.320 17.156 1.00 41.78 O HETATM 2664 O HOH 78 20.531 1.227 -6.187 1.00 39.20 O HETATM 2665 O HOH 79 -5.562 -4.704 18.632 1.00 47.34 O HETATM 2666 O HOH 80 15.521 10.366 5.080 1.00 41.28 O HETATM 2667 O HOH 81 11.904 -13.401 5.344 1.00 46.25 O HETATM 2668 O HOH 82 24.030 -12.112 -3.527 1.00 52.60 O HETATM 2669 O HOH 83 8.402 12.722 7.135 1.00 32.79 O HETATM 2670 O HOH 84 -0.918 12.289 12.417 1.00 42.93 O HETATM 2671 O HOH 85 -6.835 -7.929 11.504 1.00 53.82 O HETATM 2672 O HOH 86 11.647 -17.686 -7.162 1.00 33.86 O HETATM 2673 O HOH 87 2.000 -2.244 24.011 1.00 47.26 O HETATM 2674 O HOH 88 27.900 4.268 -8.162 1.00 47.62 O HETATM 2675 O HOH 89 27.223 -1.336 -1.000 1.00 43.45 O HETATM 2676 O HOH 90 13.561 -15.558 2.036 1.00 55.79 O HETATM 2677 O HOH 91 24.377 -6.988 8.597 1.00 51.14 O HETATM 2678 O HOH 92 25.852 -10.627 -8.188 1.00 53.41 O HETATM 2679 O HOH 93 -1.100 11.820 19.655 1.00 45.16 O HETATM 2680 O HOH 94 9.595 1.518 23.108 1.00 43.84 O HETATM 2681 O HOH 95 2.846 -11.015 -9.610 1.00 38.82 O HETATM 2682 O HOH 96 13.278 -9.689 -13.305 1.00 45.27 O HETATM 2683 O HOH 97 5.643 4.492 23.246 1.00 46.57 O HETATM 2684 O HOH 98 0.230 -11.055 20.821 1.00 45.42 O HETATM 2685 O HOH 99 28.755 14.086 7.604 1.00 48.02 O HETATM 2686 O HOH 100 28.019 5.659 6.982 1.00 50.85 O HETATM 2687 O HOH 101 26.455 10.606 14.780 1.00 44.38 O HETATM 2688 O HOH 102 20.089 -16.273 -2.510 1.00 63.61 O HETATM 2689 O HOH 103 12.576 -20.319 -0.696 1.00 47.05 O HETATM 2690 O HOH 104 -5.564 -2.371 19.804 1.00 70.94 O HETATM 2691 O HOH 105 15.121 -13.622 9.503 1.00 57.73 O HETATM 2692 O HOH 106 -0.901 -16.284 8.036 1.00 60.87 O HETATM 2693 O HOH 107 8.852 -1.715 23.590 1.00 49.66 O HETATM 2694 O HOH 108 3.667 -4.288 21.576 1.00 47.41 O HETATM 2695 O HOH 109 19.323 -1.156 -9.073 1.00 64.53 O HETATM 2696 O HOH 110 17.160 0.755 -7.662 1.00 54.29 O HETATM 2697 O HOH 111 14.774 -13.733 3.779 1.00 32.64 O HETATM 2698 O HOH 112 7.499 -9.293 -16.128 1.00 36.67 O HETATM 2699 O HOH 113 8.698 -18.836 -3.496 1.00 45.92 O HETATM 2700 O HOH 114 25.439 -8.869 6.834 1.00 53.30 O HETATM 2701 O HOH 115 27.339 4.404 12.994 1.00 46.37 O HETATM 2702 O HOH 116 14.860 1.689 -8.589 1.00 56.87 O HETATM 2703 O HOH 117 1.147 12.718 11.060 1.00 47.60 O HETATM 2704 O HOH 118 14.968 11.170 2.168 1.00 57.68 O HETATM 2705 O HOH 119 0.642 -9.649 -9.802 1.00 45.09 O HETATM 2706 O HOH 120 28.746 11.109 -2.263 1.00 51.43 O HETATM 2707 O HOH 121 29.294 -1.096 6.776 1.00 57.75 O HETATM 2708 O HOH 122 20.996 -1.741 -10.909 1.00 64.52 O HETATM 2709 O HOH 123 13.806 -0.414 25.295 1.00 48.89 O HETATM 2710 O HOH 124 -3.144 -5.112 19.170 1.00 63.21 O HETATM 2711 O HOH 125 1.752 -14.057 0.257 1.00 48.03 O HETATM 2712 O HOH 126 -5.700 -12.132 -0.461 1.00 62.32 O HETATM 2713 O HOH 127 -9.372 -5.988 2.370 1.00 54.92 O HETATM 2714 O HOH 128 21.919 -14.179 -12.775 1.00 57.42 O HETATM 2715 O HOH 129 25.509 -6.851 2.308 1.00 47.85 O HETATM 2716 O HOH 130 24.091 -8.148 11.330 1.00 54.75 O HETATM 2717 O HOH 131 -7.641 -3.752 20.749 1.00 51.80 O HETATM 2718 O HOH 132 4.330 6.710 24.181 1.00 47.35 O HETATM 2719 O HOH 133 -8.373 -5.403 18.909 1.00 58.77 O HETATM 2720 O HOH 134 -4.845 6.596 17.044 1.00 46.08 O HETATM 2721 O HOH 135 24.283 -8.335 4.556 1.00 50.18 O HETATM 2722 O HOH 136 -1.541 -0.789 25.325 1.00 52.41 O HETATM 2723 O HOH 137 24.779 4.959 17.710 1.00 57.30 O HETATM 2724 O HOH 138 20.325 -0.471 -13.551 1.00 55.81 O HETATM 2725 O HOH 139 8.376 3.481 24.850 1.00 51.43 O HETATM 2726 O HOH 140 17.177 -14.512 4.907 1.00 54.27 O HETATM 2727 O HOH 141 20.624 -17.417 -0.222 1.00 56.43 O HETATM 2728 O HOH 142 18.007 -3.686 -9.805 1.00 51.23 O HETATM 2729 O HOH 143 -6.302 -0.610 16.026 1.00 59.38 O HETATM 2730 O HOH 144 11.674 11.674 0.000 1.00 43.18 O HETATM 2731 O HOH 145 -8.610 2.000 12.799 1.00 24.40 O HETATM 2732 O HOH 146 11.871 -15.148 -13.166 1.00 45.00 O HETATM 2733 O HOH 147 7.009 -13.865 -13.818 1.00 50.81 O HETATM 2734 O HOH 148 23.973 -7.989 -1.807 1.00 39.44 O HETATM 2735 O HOH 149 18.096 -7.176 -12.856 1.00 53.60 O HETATM 2736 O HOH 150 8.848 8.844 0.003 1.00 23.59 O HETATM 2737 O HOH 151 26.166 -3.100 -4.046 1.00 28.95 O HETATM 2738 O HOH 152 -9.419 -5.987 7.067 1.00 50.68 O HETATM 2739 O HOH 153 -2.926 6.305 19.847 1.00 45.59 O HETATM 2740 O HOH 154 -4.539 6.540 2.967 1.00 25.19 O HETATM 2741 O HOH 155 -12.183 2.341 -13.790 1.00 26.25 O HETATM 2742 O HOH 156 -5.783 11.312 1.328 1.00 29.26 O HETATM 2743 O HOH 157 -8.297 12.575 2.327 1.00 27.13 O HETATM 2744 O HOH 158 3.195 30.232 6.684 1.00 31.51 O HETATM 2745 O HOH 159 -12.192 12.473 -9.883 1.00 30.24 O HETATM 2746 O HOH 160 6.513 14.905 -18.048 1.00 25.55 O HETATM 2747 O HOH 161 -13.768 11.101 -12.366 1.00 23.45 O HETATM 2748 O HOH 162 -9.626 8.315 11.171 1.00 28.21 O HETATM 2749 O HOH 163 3.804 1.472 -11.519 1.00 24.64 O HETATM 2750 O HOH 164 8.963 -2.167 -9.084 1.00 27.24 O HETATM 2751 O HOH 165 5.413 14.450 5.183 1.00 26.59 O HETATM 2752 O HOH 166 -11.191 17.669 -14.039 1.00 29.05 O HETATM 2753 O HOH 167 6.652 6.345 -19.036 1.00 31.32 O HETATM 2754 O HOH 168 -11.726 -0.117 -12.506 1.00 32.34 O HETATM 2755 O HOH 169 0.175 20.250 3.992 1.00 32.74 O HETATM 2756 O HOH 170 10.632 13.072 -13.197 1.00 23.28 O HETATM 2757 O HOH 171 -15.347 10.050 6.357 1.00 28.68 O HETATM 2758 O HOH 172 -9.806 0.537 -16.597 1.00 28.65 O HETATM 2759 O HOH 173 2.098 24.499 -4.485 1.00 31.22 O HETATM 2760 O HOH 174 7.956 28.291 2.244 1.00 38.46 O HETATM 2761 O HOH 175 -11.457 12.900 -18.825 1.00 24.77 O HETATM 2762 O HOH 176 -21.009 3.418 2.312 1.00 27.61 O HETATM 2763 O HOH 177 14.787 18.948 -5.942 1.00 27.40 O HETATM 2764 O HOH 178 12.187 15.347 1.452 1.00 35.26 O HETATM 2765 O HOH 179 -9.792 -5.066 -13.756 1.00 38.32 O HETATM 2766 O HOH 180 -9.421 11.149 -19.007 1.00 29.28 O HETATM 2767 O HOH 181 1.194 30.597 2.196 1.00 35.72 O HETATM 2768 O HOH 182 -10.227 -3.841 -3.261 1.00 46.87 O HETATM 2769 O HOH 183 -1.731 17.908 7.169 1.00 35.66 O HETATM 2770 O HOH 184 -2.267 11.226 7.354 1.00 32.25 O HETATM 2771 O HOH 185 -8.985 18.955 -18.328 1.00 41.82 O HETATM 2772 O HOH 186 -2.195 7.526 -21.548 1.00 31.16 O HETATM 2773 O HOH 187 8.551 21.644 -6.273 1.00 30.60 O HETATM 2774 O HOH 188 9.989 21.786 -2.717 1.00 37.52 O HETATM 2775 O HOH 189 2.932 25.777 0.495 1.00 30.22 O HETATM 2776 O HOH 190 -9.625 19.649 -11.952 1.00 41.26 O HETATM 2777 O HOH 191 -5.936 26.117 -10.005 1.00 40.42 O HETATM 2778 O HOH 192 5.009 -4.868 -7.044 1.00 19.08 O HETATM 2779 O HOH 193 8.415 8.210 -2.697 1.00 28.38 O HETATM 2780 O HOH 194 3.205 27.611 -6.690 1.00 41.25 O HETATM 2781 O HOH 195 9.966 20.171 -4.699 1.00 32.96 O HETATM 2782 O HOH 196 -8.915 23.256 7.698 1.00 45.22 O HETATM 2783 O HOH 197 -6.283 21.896 9.505 1.00 45.08 O HETATM 2784 O HOH 198 -6.480 -0.457 -16.248 1.00 37.85 O HETATM 2785 O HOH 199 9.258 26.219 -7.822 1.00 36.34 O HETATM 2786 O HOH 200 -2.001 27.952 -10.594 1.00 43.95 O HETATM 2787 O HOH 201 -0.507 11.928 -23.716 1.00 43.15 O HETATM 2788 O HOH 202 -12.703 2.161 7.325 1.00 38.61 O HETATM 2789 O HOH 203 -18.134 5.589 2.796 1.00 44.53 O HETATM 2790 O HOH 204 -2.080 -3.543 -18.201 1.00 46.92 O HETATM 2791 O HOH 205 -1.127 28.340 -4.551 1.00 49.62 O HETATM 2792 O HOH 206 -10.668 0.663 3.256 1.00 36.75 O HETATM 2793 O HOH 207 2.119 11.967 -22.201 1.00 42.42 O HETATM 2794 O HOH 208 -11.737 -3.083 -5.747 1.00 45.73 O HETATM 2795 O HOH 209 -9.789 -1.191 -14.578 1.00 35.97 O HETATM 2796 O HOH 210 -14.886 -3.349 -7.421 1.00 50.80 O HETATM 2797 O HOH 211 0.644 0.346 -25.215 1.00 44.67 O HETATM 2798 O HOH 212 12.811 27.657 -10.289 1.00 64.89 O HETATM 2799 O HOH 213 -10.542 6.572 13.447 1.00 25.78 O HETATM 2800 O HOH 214 -14.220 8.984 -10.693 1.00 22.12 O HETATM 2801 O HOH 215 -17.328 6.732 4.831 1.00 42.65 O HETATM 2802 O HOH 216 4.435 11.314 7.591 1.00 28.35 O HETATM 2803 O HOH 217 -9.968 17.563 -20.489 1.00 34.63 O HETATM 2804 O HOH 218 6.723 16.654 -20.558 1.00 29.59 O HETATM 2805 O HOH 219 6.967 12.182 -19.858 1.00 44.70 O HETATM 2806 O HOH 220 -13.001 0.234 1.512 1.00 57.53 O HETATM 2807 O HOH 221 -14.703 9.428 -2.853 1.00 32.78 O HETATM 2808 O HOH 222 -4.878 22.042 -15.070 1.00 36.26 O HETATM 2809 O HOH 223 -5.458 -6.633 -13.951 1.00 43.14 O HETATM 2810 O HOH 224 -14.467 13.114 -8.120 1.00 49.85 O HETATM 2811 O HOH 225 12.714 20.885 -5.867 1.00 50.25 O HETATM 2812 O HOH 226 -1.610 13.934 8.224 1.00 34.39 O HETATM 2813 O HOH 227 -3.243 5.736 -22.864 1.00 38.92 O HETATM 2814 O HOH 228 12.093 13.822 -4.459 1.00 42.39 O HETATM 2815 O HOH 229 5.234 21.975 -17.758 1.00 38.62 O HETATM 2816 O HOH 230 7.320 3.388 -17.156 1.00 41.78 O HETATM 2817 O HOH 231 1.227 20.531 6.187 1.00 39.20 O HETATM 2818 O HOH 232 -4.704 -5.562 -18.632 1.00 47.34 O HETATM 2819 O HOH 233 10.366 15.521 -5.080 1.00 41.28 O HETATM 2820 O HOH 234 -13.401 11.904 -5.344 1.00 46.25 O HETATM 2821 O HOH 235 -12.112 24.030 3.527 1.00 52.60 O HETATM 2822 O HOH 236 12.722 8.402 -7.135 1.00 32.79 O HETATM 2823 O HOH 237 12.289 -0.918 -12.417 1.00 42.93 O HETATM 2824 O HOH 238 -7.929 -6.835 -11.504 1.00 53.82 O HETATM 2825 O HOH 239 -17.686 11.647 7.162 1.00 33.86 O HETATM 2826 O HOH 240 -2.244 2.000 -24.011 1.00 47.26 O HETATM 2827 O HOH 241 4.268 27.900 8.162 1.00 47.62 O HETATM 2828 O HOH 242 -1.336 27.223 1.000 1.00 43.45 O HETATM 2829 O HOH 243 -15.558 13.561 -2.036 1.00 55.79 O HETATM 2830 O HOH 244 -6.988 24.377 -8.597 1.00 51.14 O HETATM 2831 O HOH 245 -10.627 25.852 8.188 1.00 53.41 O HETATM 2832 O HOH 246 11.820 -1.100 -19.655 1.00 45.16 O HETATM 2833 O HOH 247 1.518 9.595 -23.108 1.00 43.84 O HETATM 2834 O HOH 248 -11.015 2.846 9.610 1.00 38.82 O HETATM 2835 O HOH 249 -9.689 13.278 13.305 1.00 45.27 O HETATM 2836 O HOH 250 4.492 5.643 -23.246 1.00 46.57 O HETATM 2837 O HOH 251 -11.055 0.230 -20.821 1.00 45.42 O HETATM 2838 O HOH 252 14.086 28.755 -7.604 1.00 48.02 O HETATM 2839 O HOH 253 5.659 28.019 -6.982 1.00 50.85 O HETATM 2840 O HOH 254 10.606 26.455 -14.780 1.00 44.38 O HETATM 2841 O HOH 255 -16.273 20.089 2.510 1.00 63.61 O HETATM 2842 O HOH 256 -20.319 12.576 0.696 1.00 47.05 O HETATM 2843 O HOH 257 -2.371 -5.564 -19.804 1.00 70.94 O HETATM 2844 O HOH 258 -13.622 15.121 -9.503 1.00 57.73 O HETATM 2845 O HOH 259 -16.284 -0.901 -8.036 1.00 60.87 O HETATM 2846 O HOH 260 -1.715 8.852 -23.590 1.00 49.66 O HETATM 2847 O HOH 261 -4.288 3.667 -21.576 1.00 47.41 O HETATM 2848 O HOH 262 -1.156 19.323 9.073 1.00 64.53 O HETATM 2849 O HOH 263 0.755 17.160 7.662 1.00 54.29 O HETATM 2850 O HOH 264 -13.733 14.774 -3.779 1.00 32.64 O HETATM 2851 O HOH 265 -9.293 7.499 16.128 1.00 36.67 O HETATM 2852 O HOH 266 -18.836 8.698 3.496 1.00 45.92 O HETATM 2853 O HOH 267 -8.869 25.439 -6.834 1.00 53.30 O HETATM 2854 O HOH 268 4.404 27.339 -12.994 1.00 46.37 O HETATM 2855 O HOH 269 1.689 14.860 8.589 1.00 56.87 O HETATM 2856 O HOH 270 12.718 1.147 -11.060 1.00 47.60 O HETATM 2857 O HOH 271 11.170 14.968 -2.168 1.00 57.68 O HETATM 2858 O HOH 272 -9.649 0.642 9.802 1.00 45.09 O HETATM 2859 O HOH 273 11.109 28.746 2.263 1.00 51.43 O HETATM 2860 O HOH 274 -1.096 29.294 -6.776 1.00 57.75 O HETATM 2861 O HOH 275 -1.741 20.996 10.909 1.00 64.52 O HETATM 2862 O HOH 276 -0.414 13.806 -25.295 1.00 48.89 O HETATM 2863 O HOH 277 -5.112 -3.144 -19.170 1.00 63.21 O HETATM 2864 O HOH 278 -14.057 1.752 -0.257 1.00 48.03 O HETATM 2865 O HOH 279 -12.132 -5.700 0.461 1.00 62.32 O HETATM 2866 O HOH 280 -5.988 -9.372 -2.370 1.00 54.92 O HETATM 2867 O HOH 281 -14.179 21.919 12.775 1.00 57.42 O HETATM 2868 O HOH 282 -6.851 25.509 -2.308 1.00 47.85 O HETATM 2869 O HOH 283 -8.148 24.091 -11.330 1.00 54.75 O HETATM 2870 O HOH 284 -3.752 -7.641 -20.749 1.00 51.80 O HETATM 2871 O HOH 285 6.710 4.330 -24.181 1.00 47.35 O HETATM 2872 O HOH 286 -5.403 -8.373 -18.909 1.00 58.77 O HETATM 2873 O HOH 287 6.596 -4.845 -17.044 1.00 46.08 O HETATM 2874 O HOH 288 -8.335 24.283 -4.556 1.00 50.18 O HETATM 2875 O HOH 289 -0.789 -1.541 -25.325 1.00 52.41 O HETATM 2876 O HOH 290 4.959 24.779 -17.710 1.00 57.30 O HETATM 2877 O HOH 291 -0.471 20.325 13.551 1.00 55.81 O HETATM 2878 O HOH 292 3.481 8.376 -24.850 1.00 51.43 O HETATM 2879 O HOH 293 -14.512 17.177 -4.907 1.00 54.27 O HETATM 2880 O HOH 294 -17.417 20.624 0.222 1.00 56.43 O HETATM 2881 O HOH 295 -3.686 18.007 9.805 1.00 51.23 O HETATM 2882 O HOH 296 -0.610 -6.302 -16.026 1.00 59.38 O HETATM 2883 O HOH 297 2.000 -8.610 -12.799 1.00 24.40 O HETATM 2884 O HOH 298 -15.148 11.871 13.166 1.00 45.00 O HETATM 2885 O HOH 299 -13.865 7.009 13.818 1.00 50.81 O HETATM 2886 O HOH 300 -7.989 23.973 1.807 1.00 39.44 O HETATM 2887 O HOH 301 -7.176 18.096 12.856 1.00 53.60 O HETATM 2888 O HOH 302 -3.100 26.166 4.046 1.00 28.95 O HETATM 2889 O HOH 303 -5.987 -9.419 -7.067 1.00 50.68 O HETATM 2890 O HOH 304 6.305 -2.926 -19.847 1.00 45.59 O HETATM 2891 O5' A A 3 15.309 -2.473 -5.832 1.00 -0.39 O HETATM 2892 C5' A A 3 14.951 -3.842 -6.055 1.00 0.07 C HETATM 2893 C4' A A 3 14.770 -4.529 -4.739 1.00 0.11 C HETATM 2894 O4' A A 3 16.029 -4.460 -4.016 1.00 -0.34 O HETATM 2895 C1' A A 3 15.731 -3.927 -2.691 1.00 0.20 C HETATM 2896 N9 A A 3 16.516 -2.630 -2.522 1.00 -0.19 N HETATM 2897 C4 A A 3 16.374 -1.793 -1.492 1.00 0.16 C HETATM 2898 N3 A A 3 15.547 -1.814 -0.437 1.00 -0.27 N HETATM 2899 C2 A A 3 15.634 -0.838 0.474 1.00 0.05 C HETATM 2900 N1 A A 3 16.537 0.120 0.350 1.00 -0.27 N HETATM 2901 C6 A A 3 17.392 0.208 -0.690 1.00 0.13 C HETATM 2902 N6 A A 3 18.280 1.209 -0.787 1.00 -0.32 N HETATM 2903 H7 A A 3 18.921 1.252 -1.592 1.00 0.18 H HETATM 2904 H8 A A 3 18.320 1.934 -0.057 1.00 0.18 H HETATM 2905 C5 A A 3 17.315 -0.793 -1.649 1.00 0.10 C HETATM 2906 N7 A A 3 17.969 -1.029 -2.794 1.00 -0.30 N HETATM 2907 C8 A A 3 17.502 -2.169 -3.327 1.00 0.11 C HETATM 2908 H9 A A 3 17.854 -2.639 -4.244 1.00 0.13 H HETATM 2909 H6 A A 3 14.958 -0.833 1.321 1.00 0.10 H HETATM 2910 C2' A A 3 14.221 -4.000 -2.501 1.00 0.14 C HETATM 2911 O2' A A 3 13.833 -5.299 -2.072 1.00 -0.38 O HETATM 2912 H11 A A 3 12.890 -5.325 -1.959 1.00 0.21 H HETATM 2913 C3' A A 3 13.759 -3.732 -3.927 1.00 0.10 C HETATM 2914 N8 A A 3 12.430 -4.255 -4.093 1.00 -0.27 N HETATM 2915 C A A 3 11.376 -3.509 -3.896 1.00 0.23 C HETATM 2916 CA A A 3 10.042 -4.195 -4.081 1.00 0.09 C HETATM 2917 N A A 3 9.094 -3.960 -2.950 1.00 0.24 N HETATM 2918 H14 A A 3 8.227 -4.441 -3.132 1.00 0.20 H HETATM 2919 H15 A A 3 8.917 -2.972 -2.860 1.00 0.20 H HETATM 2920 H16 A A 3 9.498 -4.308 -2.095 1.00 0.20 H HETATM 2921 CB A A 3 9.397 -3.748 -5.418 1.00 0.10 C HETATM 2922 OG A A 3 8.333 -4.681 -5.763 1.00 -0.39 O HETATM 2923 H20 A A 3 7.679 -4.682 -5.074 1.00 0.21 H HETATM 2924 H18 A A 3 10.158 -3.745 -6.212 1.00 0.06 H HETATM 2925 H19 A A 3 8.979 -2.736 -5.307 1.00 0.06 H HETATM 2926 H17 A A 3 10.231 -5.277 -4.136 1.00 0.11 H HETATM 2927 O A A 3 11.466 -2.184 -3.612 1.00 -0.39 O HETATM 2928 H13 A A 3 12.310 -5.210 -4.365 1.00 0.19 H HETATM 2929 H12 A A 3 13.784 -2.662 -4.180 1.00 0.06 H HETATM 2930 H10 A A 3 13.852 -3.242 -1.795 1.00 0.07 H HETATM 2931 H5 A A 3 16.150 -4.615 -1.942 1.00 0.10 H HETATM 2932 H4 A A 3 14.443 -5.570 -4.877 1.00 0.06 H HETATM 2933 H2 A A 3 15.749 -4.342 -6.623 1.00 0.06 H HETATM 2934 H3 A A 3 14.011 -3.887 -6.625 1.00 0.06 H HETATM 2935 H1 A A 3 15.424 -2.037 -6.668 1.00 0.21 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1294 1295 1302 1303 1304 CONECT 1302 1294 CONECT 1303 1294 CONECT 1304 1294 CONECT 2891 2892 2935 CONECT 2892 2891 2893 2933 2934 CONECT 2893 2892 2894 2913 2932 CONECT 2894 2893 2895 CONECT 2895 2894 2896 2910 2931 CONECT 2896 2895 2897 2907 CONECT 2897 2896 2898 2905 CONECT 2898 2897 2899 CONECT 2899 2898 2900 2909 CONECT 2900 2899 2901 CONECT 2901 2900 2902 2905 CONECT 2902 2901 2903 2904 CONECT 2903 2902 CONECT 2904 2902 CONECT 2905 2897 2901 2906 CONECT 2906 2905 2907 CONECT 2907 2896 2906 2908 CONECT 2908 2907 CONECT 2909 2899 CONECT 2910 2895 2911 2913 2930 CONECT 2911 2910 2912 CONECT 2912 2911 CONECT 2913 2893 2910 2914 2929 CONECT 2914 2913 2915 2928 CONECT 2915 2914 2916 2927 CONECT 2916 2915 2917 2921 2926 CONECT 2917 2916 2918 2919 2920 CONECT 2918 2917 CONECT 2919 2917 CONECT 2920 2917 CONECT 2921 2916 2922 2924 2925 CONECT 2922 2921 2923 CONECT 2923 2922 CONECT 2924 2921 CONECT 2925 2921 CONECT 2926 2916 CONECT 2927 2915 CONECT 2928 2914 CONECT 2929 2913 CONECT 2930 2910 CONECT 2931 2895 CONECT 2932 2893 CONECT 2933 2892 CONECT 2934 2892 CONECT 2935 2891 MASTER 0 0 0 0 0 0 0 0 2933 2 53 22 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4rr6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4rra
RCSB PDB
PDBbind
136aa, >4RRA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3pd2
RCSB PDB
PDBbind
A3S
4rrf
RCSB PDB
PDBbind
A3S
4rrq
RCSB PDB
PDBbind
A3S
Entry Information
PDB ID
4rr6
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix
Ligand Name
A3S
EC.Number
E.C.6.1.1.3
Resolution
1.88(Å)
Affinity (Kd/Ki/IC50)
Kd=1.0uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat Commun Vol. 6: pp. 7552-7552
Ligand Properties
Formula
C
1
3
H
2
0
N
7
O
5
Molecular Weight
354.342
Exact Mass
354.153
No. of atoms
45
No. of bonds
47
Polar Surface Area
196.28
LOGP Value
-3.47 (
Computed with XLOGP3
)
-3.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N)[NH3+]
InChI String
InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/p+1/t5-,6+,7+,9+,13+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9YFY3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓