Browse entries in the PDBbind-CN Database
HEADER 4ODN_COMPLEX COMPND 4ODN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 MET LYS VAL GLY GLN ASP LYS VAL VAL THR ILE ARG TYR SEQRES 2 A 150 THR LEU GLN VAL GLU GLY GLU VAL LEU ASP GLN GLY GLU SEQRES 3 A 150 LEU SER TYR LEU HIS GLY HIS ARG ASN LEU ILE PRO GLY SEQRES 4 A 150 LEU GLU GLU ALA LEU GLU GLY ARG GLU GLU GLY GLU ALA SEQRES 5 A 150 PHE GLN ALA HIS VAL PRO ALA GLU LYS ALA TYR GLY PRO SEQRES 6 A 150 HIS ASP PRO GLU GLY VAL GLN VAL VAL PRO LEU SER ALA SEQRES 7 A 150 PHE PRO GLU ASP ALA GLU VAL VAL PRO GLY ALA GLN PHE SEQRES 8 A 150 TYR ALA GLN ASP MET GLU GLY ASN PRO MET PRO LEU THR SEQRES 9 A 150 VAL VAL ALA VAL GLU GLY GLU GLU VAL THR VAL ASP PHE SEQRES 10 A 150 ASN HIS PRO LEU ALA GLY LYS ASP LEU ASP PHE GLN VAL SEQRES 11 A 150 GLU VAL VAL LYS VAL ARG GLU ALA THR PRO GLU GLU LEU SEQRES 12 A 150 LEU HIS GLY HIS ALA HIS PRO HET NA A 1 1 HET PHE A 380 214 ATOM 1 N MET A 1 11.985 5.974 34.645 1.00 19.29 N ATOM 2 CA MET A 1 10.638 5.461 34.463 1.00 17.14 C ATOM 3 C MET A 1 10.765 4.062 33.883 1.00 12.02 C ATOM 4 O MET A 1 11.634 3.822 33.060 1.00 14.87 O ATOM 5 CB MET A 1 9.890 6.378 33.500 1.00 21.91 C ATOM 6 CG MET A 1 8.424 6.135 33.341 1.00 25.80 C ATOM 7 SD MET A 1 7.703 7.488 32.391 1.00 25.72 S ATOM 8 CE MET A 1 8.044 8.900 33.427 1.00 35.89 C ATOM 9 HN3 MET A 1 12.471 6.001 33.726 1.00 0.00 H ATOM 10 HN2 MET A 1 12.506 5.353 35.296 1.00 0.00 H ATOM 11 HN1 MET A 1 11.938 6.934 35.042 1.00 0.00 H ATOM 12 N LYS A 2 9.906 3.145 34.321 1.00 11.11 N ATOM 13 CA LYS A 2 9.902 1.774 33.788 1.00 10.36 C ATOM 14 C LYS A 2 8.938 1.625 32.622 1.00 9.42 C ATOM 15 O LYS A 2 7.895 2.305 32.568 1.00 11.44 O ATOM 16 CB LYS A 2 9.480 0.765 34.862 1.00 14.96 C ATOM 17 CG LYS A 2 10.524 0.495 35.927 1.00 20.28 C ATOM 18 CD LYS A 2 10.012 -0.529 36.941 1.00 23.36 C ATOM 19 CE LYS A 2 11.054 -0.776 38.027 1.00 30.40 C ATOM 20 NZ LYS A 2 10.743 -1.960 38.879 1.00 35.84 N ATOM 21 HZ1 LYS A 2 9.826 -1.816 39.348 1.00 0.00 H ATOM 22 HZ2 LYS A 2 10.700 -2.812 38.284 1.00 0.00 H ATOM 23 HZ3 LYS A 2 11.487 -2.074 39.597 1.00 0.00 H ATOM 24 H LYS A 2 9.220 3.404 35.059 1.00 0.00 H ATOM 25 N VAL A 3 9.279 0.711 31.713 1.00 9.60 N ATOM 26 CA VAL A 3 8.368 0.333 30.630 1.00 8.57 C ATOM 27 C VAL A 3 7.147 -0.309 31.242 1.00 9.32 C ATOM 28 O VAL A 3 7.256 -1.173 32.107 1.00 11.82 O ATOM 29 CB VAL A 3 9.018 -0.692 29.697 1.00 7.93 C ATOM 30 CG1 VAL A 3 8.009 -1.187 28.655 1.00 9.04 C ATOM 31 CG2 VAL A 3 10.254 -0.088 29.013 1.00 8.95 C ATOM 32 H VAL A 3 10.212 0.256 31.774 1.00 0.00 H ATOM 33 N GLY A 4 5.970 0.111 30.787 1.00 9.74 N ATOM 34 CA GLY A 4 4.730 -0.495 31.224 1.00 10.83 C ATOM 35 C GLY A 4 3.605 -0.070 30.314 1.00 11.09 C ATOM 36 O GLY A 4 3.821 0.684 29.372 1.00 10.99 O ATOM 37 H GLY A 4 5.940 0.893 30.102 1.00 0.00 H ATOM 38 N GLN A 5 2.401 -0.566 30.598 1.00 10.09 N ATOM 39 CA GLN A 5 1.224 -0.245 29.815 1.00 10.44 C ATOM 40 C GLN A 5 1.102 1.264 29.577 1.00 9.66 C ATOM 41 O GLN A 5 1.239 2.070 30.510 1.00 11.34 O ATOM 42 CB GLN A 5 -0.022 -0.769 30.528 1.00 13.26 C ATOM 43 CG GLN A 5 -1.284 -0.727 29.678 1.00 14.27 C ATOM 44 CD GLN A 5 -1.297 -1.816 28.634 1.00 21.56 C ATOM 45 OE1 GLN A 5 -0.598 -2.828 28.763 1.00 21.83 O ATOM 46 NE2 GLN A 5 -2.087 -1.619 27.586 1.00 25.74 N ATOM 47 HE22 GLN A 5 -2.657 -0.752 27.520 1.00 0.00 H ATOM 48 HE21 GLN A 5 -2.136 -2.332 26.830 1.00 0.00 H ATOM 49 H GLN A 5 2.302 -1.207 31.411 1.00 0.00 H ATOM 50 N ASP A 6 0.885 1.625 28.313 1.00 9.29 N ATOM 51 CA ASP A 6 0.605 3.003 27.890 1.00 10.29 C ATOM 52 C ASP A 6 1.821 3.941 27.901 1.00 11.59 C ATOM 53 O ASP A 6 1.671 5.142 27.675 1.00 12.78 O ATOM 54 CB ASP A 6 -0.529 3.633 28.714 1.00 10.74 C ATOM 55 CG ASP A 6 -1.866 2.990 28.458 1.00 16.06 C ATOM 56 OD1 ASP A 6 -1.961 2.155 27.527 1.00 17.40 O ATOM 57 OD2 ASP A 6 -2.818 3.348 29.188 1.00 15.12 O ATOM 58 H ASP A 6 0.916 0.886 27.582 1.00 0.00 H ATOM 59 N LYS A 7 3.017 3.411 28.156 1.00 9.13 N ATOM 60 CA LYS A 7 4.232 4.223 28.027 1.00 9.33 C ATOM 61 C LYS A 7 4.718 4.265 26.580 1.00 8.64 C ATOM 62 O LYS A 7 4.564 3.304 25.836 1.00 8.38 O ATOM 63 CB LYS A 7 5.363 3.653 28.892 1.00 10.87 C ATOM 64 CG LYS A 7 5.107 3.680 30.391 1.00 12.37 C ATOM 65 CD LYS A 7 5.152 5.092 30.936 1.00 15.08 C ATOM 66 CE LYS A 7 5.149 5.097 32.463 1.00 16.40 C ATOM 67 NZ LYS A 7 3.928 4.500 33.067 1.00 19.70 N ATOM 68 HZ1 LYS A 7 3.092 5.035 32.756 1.00 0.00 H ATOM 69 HZ2 LYS A 7 3.841 3.509 32.762 1.00 0.00 H ATOM 70 HZ3 LYS A 7 4.000 4.540 34.104 1.00 0.00 H ATOM 71 H LYS A 7 3.089 2.416 28.448 1.00 0.00 H ATOM 72 N VAL A 8 5.321 5.385 26.189 1.00 8.17 N ATOM 73 CA VAL A 8 5.974 5.457 24.888 1.00 7.87 C ATOM 74 C VAL A 8 7.456 5.169 25.092 1.00 9.19 C ATOM 75 O VAL A 8 8.155 5.873 25.831 1.00 10.20 O ATOM 76 CB VAL A 8 5.767 6.821 24.186 1.00 10.01 C ATOM 77 CG1 VAL A 8 6.657 6.902 22.948 1.00 11.41 C ATOM 78 CG2 VAL A 8 4.296 7.001 23.803 1.00 10.00 C ATOM 79 H VAL A 8 5.326 6.215 26.816 1.00 0.00 H ATOM 80 N VAL A 9 7.919 4.111 24.441 1.00 7.95 N ATOM 81 CA VAL A 9 9.243 3.578 24.695 1.00 7.95 C ATOM 82 C VAL A 9 10.076 3.627 23.425 1.00 8.33 C ATOM 83 O VAL A 9 9.609 3.232 22.364 1.00 9.06 O ATOM 84 CB VAL A 9 9.113 2.119 25.158 1.00 9.31 C ATOM 85 CG1 VAL A 9 10.490 1.507 25.509 1.00 8.16 C ATOM 86 CG2 VAL A 9 8.151 2.027 26.338 1.00 10.46 C ATOM 87 H VAL A 9 7.316 3.651 23.729 1.00 0.00 H ATOM 88 N THR A 10 11.310 4.112 23.535 1.00 9.75 N ATOM 89 CA THR A 10 12.249 4.076 22.413 1.00 10.77 C ATOM 90 C THR A 10 13.296 2.996 22.652 1.00 8.42 C ATOM 91 O THR A 10 13.914 2.960 23.710 1.00 8.84 O ATOM 92 CB THR A 10 12.944 5.436 22.245 1.00 12.77 C ATOM 93 OG1 THR A 10 11.952 6.452 22.062 1.00 12.94 O ATOM 94 CG2 THR A 10 13.869 5.433 21.045 1.00 12.93 C ATOM 95 HG1 THR A 10 11.418 6.249 21.253 1.00 0.00 H ATOM 96 H THR A 10 11.614 4.526 24.439 1.00 0.00 H ATOM 97 N ILE A 11 13.475 2.102 21.680 1.00 7.90 N ATOM 98 CA ILE A 11 14.496 1.066 21.813 1.00 7.22 C ATOM 99 C ILE A 11 15.464 1.046 20.640 1.00 9.59 C ATOM 100 O ILE A 11 15.118 1.456 19.537 1.00 11.00 O ATOM 101 CB ILE A 11 13.877 -0.337 21.913 1.00 9.39 C ATOM 102 CG1 ILE A 11 13.149 -0.694 20.617 1.00 10.51 C ATOM 103 CG2 ILE A 11 12.934 -0.413 23.105 1.00 11.39 C ATOM 104 CD1 ILE A 11 12.561 -2.087 20.598 1.00 11.03 C ATOM 105 H ILE A 11 12.886 2.142 20.824 1.00 0.00 H ATOM 106 N ARG A 12 16.682 0.574 20.902 1.00 10.63 N ATOM 107 CA ARG A 12 17.606 0.186 19.839 1.00 11.18 C ATOM 108 C ARG A 12 17.714 -1.320 19.904 1.00 13.08 C ATOM 109 O ARG A 12 17.742 -1.885 20.994 1.00 12.12 O ATOM 110 CB ARG A 12 18.994 0.804 20.037 1.00 14.63 C ATOM 111 CG ARG A 12 19.010 2.314 19.933 1.00 20.61 C ATOM 112 CD ARG A 12 20.439 2.852 19.914 1.00 29.34 C ATOM 113 NE ARG A 12 21.197 2.309 18.788 1.00 38.40 N ATOM 114 CZ ARG A 12 21.196 2.825 17.558 1.00 44.96 C ATOM 115 NH1 ARG A 12 20.477 3.907 17.284 1.00 46.88 N ATOM 116 NH2 ARG A 12 21.915 2.258 16.597 1.00 45.97 N ATOM 117 HE ARG A 12 21.777 1.462 18.958 1.00 0.00 H ATOM 118 HH12 ARG A 12 20.481 4.304 16.323 1.00 0.00 H ATOM 119 HH11 ARG A 12 19.910 4.357 18.031 1.00 0.00 H ATOM 120 HH22 ARG A 12 21.913 2.662 15.639 1.00 0.00 H ATOM 121 HH21 ARG A 12 22.481 1.410 16.802 1.00 0.00 H ATOM 122 H ARG A 12 16.984 0.479 21.893 1.00 0.00 H ATOM 123 N TYR A 13 17.754 -1.981 18.750 1.00 11.53 N ATOM 124 CA TYR A 13 17.742 -3.436 18.759 1.00 11.71 C ATOM 125 C TYR A 13 18.524 -4.042 17.605 1.00 13.65 C ATOM 126 O TYR A 13 18.745 -3.395 16.575 1.00 12.14 O ATOM 127 CB TYR A 13 16.293 -3.947 18.699 1.00 12.05 C ATOM 128 CG TYR A 13 15.654 -3.704 17.347 1.00 12.93 C ATOM 129 CD1 TYR A 13 15.059 -2.483 17.056 1.00 13.01 C ATOM 130 CD2 TYR A 13 15.680 -4.680 16.348 1.00 14.35 C ATOM 131 CE1 TYR A 13 14.499 -2.235 15.816 1.00 16.52 C ATOM 132 CE2 TYR A 13 15.119 -4.437 15.099 1.00 18.21 C ATOM 133 CZ TYR A 13 14.529 -3.216 14.845 1.00 20.61 C ATOM 134 OH TYR A 13 13.969 -2.978 13.608 1.00 25.15 O ATOM 135 HH TYR A 13 14.666 -3.063 12.910 1.00 0.00 H ATOM 136 H TYR A 13 17.793 -1.462 17.849 1.00 0.00 H ATOM 137 N THR A 14 18.967 -5.279 17.815 1.00 12.35 N ATOM 138 CA THR A 14 19.451 -6.140 16.742 1.00 13.30 C ATOM 139 C THR A 14 18.666 -7.443 16.810 1.00 14.54 C ATOM 140 O THR A 14 18.441 -7.981 17.901 1.00 15.41 O ATOM 141 CB THR A 14 20.951 -6.459 16.889 1.00 13.91 C ATOM 142 OG1 THR A 14 21.711 -5.251 16.801 1.00 14.49 O ATOM 143 CG2 THR A 14 21.403 -7.414 15.789 1.00 13.43 C ATOM 144 HG1 THR A 14 22.674 -5.461 16.896 1.00 0.00 H ATOM 145 H THR A 14 18.968 -5.648 18.787 1.00 0.00 H ATOM 146 N LEU A 15 18.236 -7.941 15.660 1.00 11.25 N ATOM 147 CA LEU A 15 17.503 -9.197 15.593 1.00 11.44 C ATOM 148 C LEU A 15 18.329 -10.235 14.851 1.00 12.46 C ATOM 149 O LEU A 15 18.737 -10.010 13.707 1.00 13.04 O ATOM 150 CB LEU A 15 16.167 -8.991 14.876 1.00 12.10 C ATOM 151 CG LEU A 15 15.416 -10.261 14.462 1.00 15.52 C ATOM 152 CD1 LEU A 15 15.051 -11.118 15.666 1.00 16.94 C ATOM 153 CD2 LEU A 15 14.169 -9.922 13.650 1.00 18.13 C ATOM 154 H LEU A 15 18.427 -7.420 14.781 1.00 0.00 H ATOM 155 N GLN A 16 18.584 -11.361 15.514 1.00 10.66 N ATOM 156 CA GLN A 16 19.231 -12.494 14.870 1.00 11.15 C ATOM 157 C GLN A 16 18.311 -13.693 14.890 1.00 11.15 C ATOM 158 O GLN A 16 17.547 -13.885 15.834 1.00 12.02 O ATOM 159 CB GLN A 16 20.514 -12.886 15.602 1.00 15.18 C ATOM 160 CG GLN A 16 21.644 -11.889 15.517 1.00 16.89 C ATOM 161 CD GLN A 16 22.918 -12.423 16.149 1.00 23.31 C ATOM 162 OE1 GLN A 16 23.298 -13.574 15.929 1.00 27.09 O ATOM 163 NE2 GLN A 16 23.580 -11.591 16.947 1.00 26.31 N ATOM 164 HE22 GLN A 16 23.223 -10.627 17.105 1.00 0.00 H ATOM 165 HE21 GLN A 16 24.455 -11.904 17.414 1.00 0.00 H ATOM 166 H GLN A 16 18.314 -11.432 16.516 1.00 0.00 H ATOM 167 N VAL A 17 18.410 -14.512 13.849 1.00 13.66 N ATOM 168 CA VAL A 17 17.743 -15.806 13.818 1.00 11.19 C ATOM 169 C VAL A 17 18.786 -16.834 13.424 1.00 14.23 C ATOM 170 O VAL A 17 19.437 -16.693 12.383 1.00 15.17 O ATOM 171 CB VAL A 17 16.559 -15.827 12.829 1.00 13.96 C ATOM 172 CG1 VAL A 17 16.077 -17.251 12.597 1.00 16.15 C ATOM 173 CG2 VAL A 17 15.423 -14.942 13.352 1.00 15.33 C ATOM 174 H VAL A 17 18.982 -14.220 13.031 1.00 0.00 H ATOM 175 N GLU A 18 18.968 -17.834 14.284 1.00 14.30 N ATOM 176 CA GLU A 18 19.957 -18.887 14.073 1.00 16.67 C ATOM 177 C GLU A 18 21.345 -18.299 13.800 1.00 17.69 C ATOM 178 O GLU A 18 22.092 -18.769 12.934 1.00 21.09 O ATOM 179 CB GLU A 18 19.495 -19.842 12.966 1.00 20.27 C ATOM 180 CG GLU A 18 18.239 -20.623 13.358 1.00 24.03 C ATOM 181 CD GLU A 18 17.449 -21.138 12.163 1.00 31.76 C ATOM 182 OE1 GLU A 18 17.883 -20.935 11.009 1.00 36.40 O ATOM 183 OE2 GLU A 18 16.379 -21.742 12.382 1.00 35.14 O ATOM 184 H GLU A 18 18.381 -17.866 15.142 1.00 0.00 H ATOM 185 N GLY A 19 21.677 -17.256 14.548 1.00 15.08 N ATOM 186 CA GLY A 19 23.006 -16.674 14.495 1.00 17.45 C ATOM 187 C GLY A 19 23.263 -15.702 13.358 1.00 20.23 C ATOM 188 O GLY A 19 24.386 -15.217 13.206 1.00 25.29 O ATOM 189 H GLY A 19 20.968 -16.845 15.188 1.00 0.00 H ATOM 190 N GLU A 20 22.242 -15.424 12.553 1.00 17.86 N ATOM 191 CA GLU A 20 22.364 -14.466 11.458 1.00 19.40 C ATOM 192 C GLU A 20 21.545 -13.213 11.732 1.00 17.08 C ATOM 193 O GLU A 20 20.362 -13.296 12.049 1.00 15.63 O ATOM 194 CB GLU A 20 21.911 -15.100 10.142 1.00 21.13 C ATOM 195 CG GLU A 20 22.686 -16.365 9.762 1.00 25.99 C ATOM 196 CD GLU A 20 24.147 -16.100 9.399 1.00 32.95 C ATOM 197 OE1 GLU A 20 24.475 -14.961 9.000 1.00 32.41 O ATOM 198 OE2 GLU A 20 24.968 -17.041 9.512 1.00 37.78 O ATOM 199 H GLU A 20 21.331 -15.902 12.708 1.00 0.00 H ATOM 200 N VAL A 21 22.173 -12.049 11.599 1.00 16.35 N ATOM 201 CA VAL A 21 21.466 -10.788 11.799 1.00 15.76 C ATOM 202 C VAL A 21 20.483 -10.529 10.667 1.00 16.48 C ATOM 203 O VAL A 21 20.861 -10.522 9.496 1.00 19.33 O ATOM 204 CB VAL A 21 22.442 -9.607 11.900 1.00 17.25 C ATOM 205 CG1 VAL A 21 21.676 -8.302 12.036 1.00 19.17 C ATOM 206 CG2 VAL A 21 23.381 -9.794 13.079 1.00 19.01 C ATOM 207 H VAL A 21 23.182 -12.037 11.349 1.00 0.00 H ATOM 208 N LEU A 22 19.213 -10.336 11.007 1.00 13.34 N ATOM 209 CA LEU A 22 18.187 -10.080 9.994 1.00 16.71 C ATOM 210 C LEU A 22 17.781 -8.621 9.953 1.00 18.55 C ATOM 211 O LEU A 22 17.335 -8.124 8.921 1.00 21.91 O ATOM 212 CB LEU A 22 16.946 -10.928 10.251 1.00 17.01 C ATOM 213 CG LEU A 22 17.143 -12.431 10.233 1.00 22.07 C ATOM 214 CD1 LEU A 22 15.786 -13.093 10.374 1.00 24.16 C ATOM 215 CD2 LEU A 22 17.833 -12.862 8.960 1.00 24.32 C ATOM 216 H LEU A 22 18.943 -10.367 12.011 1.00 0.00 H ATOM 217 N ASP A 23 17.926 -7.931 11.078 1.00 16.26 N ATOM 218 CA ASP A 23 17.498 -6.546 11.151 1.00 16.54 C ATOM 219 C ASP A 23 18.127 -5.844 12.339 1.00 16.80 C ATOM 220 O ASP A 23 18.569 -6.481 13.291 1.00 15.39 O ATOM 221 CB ASP A 23 15.969 -6.476 11.250 1.00 19.89 C ATOM 222 CG ASP A 23 15.435 -5.071 11.050 1.00 27.46 C ATOM 223 OD1 ASP A 23 15.980 -4.335 10.199 1.00 29.28 O ATOM 224 OD2 ASP A 23 14.480 -4.697 11.759 1.00 31.45 O ATOM 225 H ASP A 23 18.349 -8.386 11.912 1.00 0.00 H ATOM 226 N GLN A 24 18.197 -4.522 12.253 1.00 17.76 N ATOM 227 CA GLN A 24 18.610 -3.702 13.380 1.00 18.44 C ATOM 228 C GLN A 24 18.091 -2.298 13.164 1.00 18.44 C ATOM 229 O GLN A 24 17.779 -1.919 12.037 1.00 20.02 O ATOM 230 CB GLN A 24 20.132 -3.694 13.537 1.00 19.58 C ATOM 231 CG GLN A 24 20.894 -3.014 12.412 1.00 20.86 C ATOM 232 CD GLN A 24 22.372 -3.361 12.434 1.00 22.77 C ATOM 233 OE1 GLN A 24 22.769 -4.448 12.016 1.00 24.28 O ATOM 234 NE2 GLN A 24 23.192 -2.443 12.934 1.00 23.35 N ATOM 235 HE22 GLN A 24 22.812 -1.537 13.276 1.00 0.00 H ATOM 236 HE21 GLN A 24 24.214 -2.630 12.983 1.00 0.00 H ATOM 237 H GLN A 24 17.950 -4.060 11.355 1.00 0.00 H ATOM 238 N GLY A 25 17.993 -1.536 14.243 1.00 15.41 N ATOM 239 CA GLY A 25 17.506 -0.182 14.129 1.00 16.66 C ATOM 240 C GLY A 25 17.036 0.389 15.446 1.00 18.48 C ATOM 241 O GLY A 25 17.344 -0.132 16.518 1.00 16.35 O ATOM 242 H GLY A 25 18.267 -1.913 15.173 1.00 0.00 H ATOM 243 N GLU A 26 16.296 1.483 15.348 1.00 15.94 N ATOM 244 CA GLU A 26 15.776 2.175 16.506 1.00 15.89 C ATOM 245 C GLU A 26 14.333 2.516 16.189 1.00 16.59 C ATOM 246 O GLU A 26 14.006 2.904 15.061 1.00 18.20 O ATOM 247 CB GLU A 26 16.591 3.445 16.780 1.00 18.30 C ATOM 248 CG GLU A 26 16.123 4.257 17.993 1.00 21.25 C ATOM 249 CD GLU A 26 17.203 5.191 18.534 1.00 27.87 C ATOM 250 OE1 GLU A 26 18.319 5.201 17.975 1.00 32.87 O ATOM 251 OE2 GLU A 26 16.946 5.909 19.522 1.00 28.51 O ATOM 252 H GLU A 26 16.081 1.858 14.402 1.00 0.00 H ATOM 253 N LEU A 27 13.459 2.350 17.172 1.00 13.05 N ATOM 254 CA LEU A 27 12.047 2.648 16.970 1.00 11.83 C ATOM 255 C LEU A 27 11.430 3.097 18.276 1.00 11.31 C ATOM 256 O LEU A 27 11.976 2.838 19.353 1.00 10.18 O ATOM 257 CB LEU A 27 11.291 1.427 16.418 1.00 13.97 C ATOM 258 CG LEU A 27 11.204 0.156 17.281 1.00 13.57 C ATOM 259 CD1 LEU A 27 10.085 0.229 18.322 1.00 15.01 C ATOM 260 CD2 LEU A 27 11.015 -1.091 16.417 1.00 16.43 C ATOM 261 H LEU A 27 13.785 2.003 18.097 1.00 0.00 H ATOM 262 N SER A 28 10.281 3.758 18.173 1.00 10.76 N ATOM 263 CA SER A 28 9.486 4.095 19.337 1.00 10.98 C ATOM 264 C SER A 28 8.124 3.463 19.158 1.00 12.16 C ATOM 265 O SER A 28 7.608 3.391 18.040 1.00 14.90 O ATOM 266 CB SER A 28 9.341 5.612 19.502 1.00 11.62 C ATOM 267 OG SER A 28 10.603 6.243 19.632 1.00 14.10 O ATOM 268 HG SER A 28 11.144 6.066 18.822 1.00 0.00 H ATOM 269 H SER A 28 9.943 4.041 17.231 1.00 0.00 H ATOM 270 N TYR A 29 7.546 2.994 20.257 1.00 9.95 N ATOM 271 CA TYR A 29 6.237 2.349 20.207 1.00 7.48 C ATOM 272 C TYR A 29 5.451 2.676 21.482 1.00 8.32 C ATOM 273 O TYR A 29 6.039 3.044 22.507 1.00 8.46 O ATOM 274 CB TYR A 29 6.402 0.827 19.998 1.00 8.12 C ATOM 275 CG TYR A 29 6.840 0.093 21.245 1.00 8.24 C ATOM 276 CD1 TYR A 29 8.149 0.197 21.720 1.00 9.63 C ATOM 277 CD2 TYR A 29 5.950 -0.710 21.953 1.00 8.86 C ATOM 278 CE1 TYR A 29 8.543 -0.453 22.880 1.00 8.42 C ATOM 279 CE2 TYR A 29 6.340 -1.375 23.113 1.00 7.81 C ATOM 280 CZ TYR A 29 7.638 -1.234 23.572 1.00 8.55 C ATOM 281 OH TYR A 29 8.019 -1.862 24.735 1.00 9.96 O ATOM 282 HH TYR A 29 7.459 -1.536 25.483 1.00 0.00 H ATOM 283 H TYR A 29 8.034 3.088 21.170 1.00 0.00 H ATOM 284 N LEU A 30 4.121 2.579 21.414 1.00 7.77 N ATOM 285 CA LEU A 30 3.281 2.671 22.610 1.00 7.38 C ATOM 286 C LEU A 30 3.074 1.273 23.194 1.00 9.17 C ATOM 287 O LEU A 30 2.459 0.418 22.561 1.00 11.55 O ATOM 288 CB LEU A 30 1.924 3.295 22.264 1.00 9.52 C ATOM 289 CG LEU A 30 0.956 3.493 23.433 1.00 8.43 C ATOM 290 CD1 LEU A 30 1.447 4.577 24.386 1.00 9.70 C ATOM 291 CD2 LEU A 30 -0.437 3.829 22.921 1.00 8.86 C ATOM 292 H LEU A 30 3.670 2.434 20.488 1.00 0.00 H ATOM 293 N HIS A 31 3.586 1.045 24.398 1.00 6.98 N ATOM 294 CA HIS A 31 3.615 -0.303 24.982 1.00 7.60 C ATOM 295 C HIS A 31 2.226 -0.795 25.407 1.00 9.86 C ATOM 296 O HIS A 31 1.444 -0.039 25.973 1.00 10.63 O ATOM 297 CB HIS A 31 4.567 -0.288 26.187 1.00 6.91 C ATOM 298 CG HIS A 31 4.823 -1.633 26.796 1.00 6.03 C ATOM 299 ND1 HIS A 31 5.845 -2.459 26.374 1.00 7.69 N ATOM 300 CD2 HIS A 31 4.240 -2.262 27.842 1.00 7.98 C ATOM 301 CE1 HIS A 31 5.853 -3.554 27.111 1.00 8.66 C ATOM 302 NE2 HIS A 31 4.886 -3.462 28.008 1.00 7.04 N ATOM 303 H HIS A 31 3.976 1.841 24.942 1.00 0.00 H ATOM 304 N GLY A 32 1.916 -2.061 25.130 1.00 8.31 N ATOM 305 CA GLY A 32 0.688 -2.649 25.647 1.00 8.27 C ATOM 306 C GLY A 32 -0.464 -2.601 24.656 1.00 11.92 C ATOM 307 O GLY A 32 -1.634 -2.805 25.023 1.00 13.28 O ATOM 308 H GLY A 32 2.555 -2.633 24.541 1.00 0.00 H ATOM 309 N HIS A 33 -0.136 -2.339 23.398 1.00 9.61 N ATOM 310 CA HIS A 33 -1.144 -2.147 22.353 1.00 8.40 C ATOM 311 C HIS A 33 -0.908 -3.028 21.131 1.00 9.59 C ATOM 312 O HIS A 33 -1.397 -2.738 20.043 1.00 12.75 O ATOM 313 CB HIS A 33 -1.199 -0.675 21.949 1.00 9.18 C ATOM 314 CG HIS A 33 -1.717 0.216 23.035 1.00 10.88 C ATOM 315 ND1 HIS A 33 -2.982 0.766 23.008 1.00 13.02 N ATOM 316 CD2 HIS A 33 -1.154 0.623 24.195 1.00 11.70 C ATOM 317 CE1 HIS A 33 -3.170 1.486 24.098 1.00 14.77 C ATOM 318 NE2 HIS A 33 -2.078 1.417 24.835 1.00 13.84 N ATOM 319 H HIS A 33 0.870 -2.268 23.145 1.00 0.00 H ATOM 320 N ARG A 34 -0.137 -4.097 21.328 1.00 9.38 N ATOM 321 CA ARG A 34 0.173 -5.069 20.277 1.00 8.46 C ATOM 322 C ARG A 34 0.899 -4.474 19.069 1.00 8.35 C ATOM 323 O ARG A 34 0.790 -4.956 17.949 1.00 9.77 O ATOM 324 CB ARG A 34 -1.080 -5.853 19.866 1.00 12.00 C ATOM 325 CG ARG A 34 -1.686 -6.600 21.047 1.00 14.88 C ATOM 326 CD ARG A 34 -2.801 -7.591 20.661 1.00 19.35 C ATOM 327 NE ARG A 34 -2.331 -8.719 19.846 1.00 23.33 N ATOM 328 CZ ARG A 34 -1.654 -9.777 20.297 1.00 25.47 C ATOM 329 NH1 ARG A 34 -1.310 -9.883 21.574 1.00 21.28 N ATOM 330 NH2 ARG A 34 -1.299 -10.737 19.451 1.00 29.52 N ATOM 331 HE ARG A 34 -2.544 -8.691 18.829 1.00 0.00 H ATOM 332 HH12 ARG A 34 -0.782 -10.717 21.903 1.00 0.00 H ATOM 333 HH11 ARG A 34 -1.568 -9.132 22.246 1.00 0.00 H ATOM 334 HH22 ARG A 34 -0.771 -11.564 19.795 1.00 0.00 H ATOM 335 HH21 ARG A 34 -1.549 -10.661 18.444 1.00 0.00 H ATOM 336 H ARG A 34 0.265 -4.249 22.275 1.00 0.00 H ATOM 337 N ASN A 35 1.685 -3.433 19.317 1.00 8.89 N ATOM 338 CA ASN A 35 2.419 -2.798 18.242 1.00 10.32 C ATOM 339 C ASN A 35 3.689 -3.543 17.839 1.00 10.11 C ATOM 340 O ASN A 35 4.117 -3.440 16.690 1.00 14.57 O ATOM 341 CB ASN A 35 2.666 -1.335 18.588 1.00 11.92 C ATOM 342 CG ASN A 35 1.358 -0.561 18.638 1.00 16.39 C ATOM 343 OD1 ASN A 35 1.112 0.246 19.523 1.00 19.81 O ATOM 344 ND2 ASN A 35 0.476 -0.876 17.697 1.00 19.77 N ATOM 345 HD22 ASN A 35 0.725 -1.568 16.962 1.00 0.00 H ATOM 346 HD21 ASN A 35 -0.464 -0.431 17.695 1.00 0.00 H ATOM 347 H ASN A 35 1.774 -3.072 20.288 1.00 0.00 H ATOM 348 N LEU A 36 4.268 -4.299 18.773 1.00 8.57 N ATOM 349 CA LEU A 36 5.385 -5.195 18.471 1.00 7.81 C ATOM 350 C LEU A 36 4.948 -6.632 18.746 1.00 10.35 C ATOM 351 O LEU A 36 3.916 -6.856 19.377 1.00 10.82 O ATOM 352 CB LEU A 36 6.607 -4.878 19.348 1.00 10.79 C ATOM 353 CG LEU A 36 7.122 -3.436 19.411 1.00 13.17 C ATOM 354 CD1 LEU A 36 8.326 -3.346 20.352 1.00 13.63 C ATOM 355 CD2 LEU A 36 7.490 -2.925 18.042 1.00 14.76 C ATOM 356 H LEU A 36 3.913 -4.250 19.749 1.00 0.00 H ATOM 357 N ILE A 37 5.736 -7.605 18.294 1.00 9.96 N ATOM 358 CA ILE A 37 5.407 -9.011 18.572 1.00 8.87 C ATOM 359 C ILE A 37 5.312 -9.253 20.084 1.00 8.56 C ATOM 360 O ILE A 37 6.036 -8.644 20.869 1.00 9.46 O ATOM 361 CB ILE A 37 6.413 -9.995 17.941 1.00 9.78 C ATOM 362 CG1 ILE A 37 7.845 -9.634 18.341 1.00 10.41 C ATOM 363 CG2 ILE A 37 6.259 -10.017 16.412 1.00 11.05 C ATOM 364 CD1 ILE A 37 8.849 -10.728 17.984 1.00 11.45 C ATOM 365 H ILE A 37 6.586 -7.370 17.743 1.00 0.00 H ATOM 366 N PRO A 38 4.409 -10.144 20.500 1.00 8.88 N ATOM 367 CA PRO A 38 4.095 -10.255 21.927 1.00 7.81 C ATOM 368 C PRO A 38 5.277 -10.631 22.811 1.00 8.16 C ATOM 369 O PRO A 38 5.363 -10.118 23.913 1.00 8.19 O ATOM 370 CB PRO A 38 3.057 -11.378 21.978 1.00 11.02 C ATOM 371 CG PRO A 38 2.506 -11.465 20.614 1.00 14.29 C ATOM 372 CD PRO A 38 3.543 -10.993 19.660 1.00 12.05 C ATOM 373 N GLY A 39 6.148 -11.518 22.342 1.00 8.33 N ATOM 374 CA GLY A 39 7.269 -11.927 23.162 1.00 7.67 C ATOM 375 C GLY A 39 8.288 -10.824 23.357 1.00 9.74 C ATOM 376 O GLY A 39 9.022 -10.838 24.350 1.00 11.36 O ATOM 377 H GLY A 39 6.025 -11.917 21.389 1.00 0.00 H ATOM 378 N LEU A 40 8.369 -9.880 22.417 1.00 7.68 N ATOM 379 CA LEU A 40 9.303 -8.761 22.593 1.00 9.23 C ATOM 380 C LEU A 40 8.745 -7.771 23.620 1.00 8.93 C ATOM 381 O LEU A 40 9.477 -7.280 24.486 1.00 9.88 O ATOM 382 CB LEU A 40 9.605 -8.059 21.260 1.00 10.83 C ATOM 383 CG LEU A 40 10.567 -6.865 21.326 1.00 10.15 C ATOM 384 CD1 LEU A 40 11.888 -7.295 21.926 1.00 11.81 C ATOM 385 CD2 LEU A 40 10.768 -6.295 19.931 1.00 9.96 C ATOM 386 H LEU A 40 7.774 -9.937 21.566 1.00 0.00 H ATOM 387 N GLU A 41 7.444 -7.494 23.555 1.00 8.31 N ATOM 388 CA GLU A 41 6.841 -6.634 24.575 1.00 8.61 C ATOM 389 C GLU A 41 6.902 -7.283 25.969 1.00 8.35 C ATOM 390 O GLU A 41 7.131 -6.591 26.958 1.00 8.57 O ATOM 391 CB GLU A 41 5.409 -6.194 24.214 1.00 10.09 C ATOM 392 CG GLU A 41 5.330 -5.417 22.904 1.00 10.52 C ATOM 393 CD GLU A 41 4.171 -4.424 22.830 1.00 13.66 C ATOM 394 OE1 GLU A 41 3.542 -4.124 23.868 1.00 11.62 O ATOM 395 OE2 GLU A 41 3.903 -3.937 21.708 1.00 13.68 O ATOM 396 H GLU A 41 6.862 -7.885 22.787 1.00 0.00 H ATOM 397 N GLU A 42 6.710 -8.602 26.043 1.00 8.29 N ATOM 398 CA GLU A 42 6.860 -9.308 27.317 1.00 8.01 C ATOM 399 C GLU A 42 8.259 -9.072 27.896 1.00 9.29 C ATOM 400 O GLU A 42 8.415 -8.819 29.095 1.00 9.87 O ATOM 401 CB GLU A 42 6.596 -10.811 27.154 1.00 9.30 C ATOM 402 CG GLU A 42 6.775 -11.587 28.449 1.00 9.00 C ATOM 403 CD GLU A 42 6.895 -13.087 28.237 1.00 14.82 C ATOM 404 OE1 GLU A 42 6.583 -13.561 27.131 1.00 15.00 O ATOM 405 OE2 GLU A 42 7.329 -13.795 29.175 1.00 16.61 O ATOM 406 H GLU A 42 6.451 -9.133 25.187 1.00 0.00 H ATOM 407 N ALA A 43 9.267 -9.146 27.026 1.00 8.36 N ATOM 408 CA ALA A 43 10.658 -8.985 27.448 1.00 9.20 C ATOM 409 C ALA A 43 10.952 -7.558 27.896 1.00 8.17 C ATOM 410 O ALA A 43 11.820 -7.333 28.743 1.00 10.24 O ATOM 411 CB ALA A 43 11.621 -9.399 26.319 1.00 10.92 C ATOM 412 H ALA A 43 9.059 -9.323 26.022 1.00 0.00 H ATOM 413 N LEU A 44 10.232 -6.596 27.324 1.00 7.18 N ATOM 414 CA LEU A 44 10.417 -5.188 27.659 1.00 6.37 C ATOM 415 C LEU A 44 9.651 -4.741 28.913 1.00 7.33 C ATOM 416 O LEU A 44 10.014 -3.743 29.546 1.00 9.02 O ATOM 417 CB LEU A 44 10.023 -4.303 26.470 1.00 8.23 C ATOM 418 CG LEU A 44 11.092 -4.217 25.380 1.00 6.66 C ATOM 419 CD1 LEU A 44 10.494 -3.903 24.005 1.00 7.66 C ATOM 420 CD2 LEU A 44 12.112 -3.156 25.793 1.00 10.43 C ATOM 421 H LEU A 44 9.515 -6.856 26.616 1.00 0.00 H ATOM 422 N GLU A 45 8.596 -5.478 29.269 1.00 9.19 N ATOM 423 CA GLU A 45 7.751 -5.111 30.403 1.00 10.43 C ATOM 424 C GLU A 45 8.588 -4.964 31.677 1.00 10.77 C ATOM 425 O GLU A 45 9.342 -5.864 32.053 1.00 11.96 O ATOM 426 CB GLU A 45 6.644 -6.166 30.587 1.00 10.93 C ATOM 427 CG GLU A 45 5.748 -5.973 31.808 1.00 11.69 C ATOM 428 CD GLU A 45 4.693 -4.885 31.651 1.00 13.70 C ATOM 429 OE1 GLU A 45 4.289 -4.572 30.506 1.00 13.33 O ATOM 430 OE2 GLU A 45 4.241 -4.358 32.697 1.00 16.25 O ATOM 431 H GLU A 45 8.370 -6.335 28.725 1.00 0.00 H ATOM 432 N GLY A 46 8.479 -3.808 32.319 1.00 10.02 N ATOM 433 CA GLY A 46 9.183 -3.576 33.569 1.00 11.07 C ATOM 434 C GLY A 46 10.639 -3.146 33.481 1.00 13.16 C ATOM 435 O GLY A 46 11.261 -2.906 34.521 1.00 15.19 O ATOM 436 H GLY A 46 7.880 -3.056 31.921 1.00 0.00 H ATOM 437 N ARG A 47 11.195 -3.046 32.275 1.00 9.97 N ATOM 438 CA ARG A 47 12.594 -2.614 32.137 1.00 9.15 C ATOM 439 C ARG A 47 12.755 -1.128 32.451 1.00 11.23 C ATOM 440 O ARG A 47 11.893 -0.324 32.139 1.00 11.25 O ATOM 441 CB ARG A 47 13.123 -2.877 30.723 1.00 9.85 C ATOM 442 CG ARG A 47 13.054 -4.333 30.250 1.00 10.29 C ATOM 443 CD ARG A 47 14.148 -5.172 30.857 1.00 10.75 C ATOM 444 NE ARG A 47 14.026 -6.542 30.389 1.00 10.91 N ATOM 445 CZ ARG A 47 14.867 -7.516 30.719 1.00 15.82 C ATOM 446 NH1 ARG A 47 15.888 -7.261 31.524 1.00 15.35 N ATOM 447 NH2 ARG A 47 14.679 -8.738 30.248 1.00 18.03 N ATOM 448 HE ARG A 47 13.233 -6.774 29.758 1.00 0.00 H ATOM 449 HH12 ARG A 47 16.548 -8.022 31.784 1.00 0.00 H ATOM 450 HH11 ARG A 47 16.030 -6.300 31.896 1.00 0.00 H ATOM 451 HH22 ARG A 47 15.337 -9.501 30.506 1.00 0.00 H ATOM 452 HH21 ARG A 47 13.874 -8.935 29.620 1.00 0.00 H ATOM 453 H ARG A 47 10.638 -3.274 31.427 1.00 0.00 H ATOM 454 N GLU A 48 13.884 -0.756 33.054 1.00 10.91 N ATOM 455 CA GLU A 48 14.144 0.649 33.336 1.00 11.35 C ATOM 456 C GLU A 48 14.723 1.357 32.107 1.00 11.76 C ATOM 457 O GLU A 48 15.383 0.736 31.265 1.00 12.62 O ATOM 458 CB GLU A 48 15.090 0.768 34.538 1.00 14.03 C ATOM 459 CG GLU A 48 15.493 2.183 34.918 1.00 15.73 C ATOM 460 CD GLU A 48 14.323 3.047 35.359 1.00 18.66 C ATOM 461 OE1 GLU A 48 13.391 2.506 35.989 1.00 19.37 O ATOM 462 OE2 GLU A 48 14.341 4.270 35.082 1.00 19.20 O ATOM 463 H GLU A 48 14.585 -1.475 33.325 1.00 0.00 H ATOM 464 N GLU A 49 14.464 2.658 31.994 1.00 13.36 N ATOM 465 CA GLU A 49 15.115 3.446 30.954 1.00 12.39 C ATOM 466 C GLU A 49 16.629 3.260 31.094 1.00 12.91 C ATOM 467 O GLU A 49 17.166 3.315 32.206 1.00 12.53 O ATOM 468 CB GLU A 49 14.740 4.930 31.074 1.00 13.10 C ATOM 469 CG GLU A 49 15.524 5.825 30.122 1.00 15.99 C ATOM 470 CD GLU A 49 15.060 7.275 30.141 1.00 21.15 C ATOM 471 OE1 GLU A 49 13.893 7.540 29.788 1.00 18.64 O ATOM 472 OE2 GLU A 49 15.871 8.156 30.501 1.00 23.74 O ATOM 473 H GLU A 49 13.796 3.113 32.649 1.00 0.00 H ATOM 474 N GLY A 50 17.307 3.004 29.977 1.00 10.67 N ATOM 475 CA GLY A 50 18.740 2.738 30.006 1.00 10.78 C ATOM 476 C GLY A 50 19.142 1.267 30.037 1.00 12.32 C ATOM 477 O GLY A 50 20.286 0.924 29.752 1.00 14.12 O ATOM 478 H GLY A 50 16.805 2.994 29.066 1.00 0.00 H ATOM 479 N GLU A 51 18.210 0.381 30.369 1.00 10.65 N ATOM 480 CA GLU A 51 18.559 -1.024 30.510 1.00 10.73 C ATOM 481 C GLU A 51 18.929 -1.663 29.169 1.00 12.11 C ATOM 482 O GLU A 51 18.272 -1.426 28.153 1.00 11.88 O ATOM 483 CB GLU A 51 17.407 -1.774 31.182 1.00 12.97 C ATOM 484 CG GLU A 51 17.753 -3.180 31.629 1.00 18.54 C ATOM 485 CD GLU A 51 16.754 -3.746 32.632 1.00 18.14 C ATOM 486 OE1 GLU A 51 15.908 -2.980 33.157 1.00 18.52 O ATOM 487 OE2 GLU A 51 16.828 -4.967 32.906 1.00 20.27 O ATOM 488 H GLU A 51 17.230 0.692 30.528 1.00 0.00 H ATOM 489 N ALA A 52 19.990 -2.471 29.175 1.00 12.15 N ATOM 490 CA ALA A 52 20.354 -3.282 28.022 1.00 12.23 C ATOM 491 C ALA A 52 20.178 -4.747 28.387 1.00 11.89 C ATOM 492 O ALA A 52 20.531 -5.167 29.483 1.00 14.86 O ATOM 493 CB ALA A 52 21.800 -3.003 27.594 1.00 13.14 C ATOM 494 H ALA A 52 20.577 -2.524 30.032 1.00 0.00 H ATOM 495 N PHE A 53 19.635 -5.537 27.474 1.00 10.02 N ATOM 496 CA PHE A 53 19.388 -6.938 27.784 1.00 11.00 C ATOM 497 C PHE A 53 19.271 -7.780 26.530 1.00 8.77 C ATOM 498 O PHE A 53 19.258 -7.254 25.416 1.00 9.40 O ATOM 499 CB PHE A 53 18.113 -7.074 28.629 1.00 10.97 C ATOM 500 CG PHE A 53 16.863 -6.618 27.920 1.00 11.01 C ATOM 501 CD1 PHE A 53 16.476 -5.279 27.949 1.00 11.40 C ATOM 502 CD2 PHE A 53 16.072 -7.534 27.229 1.00 10.59 C ATOM 503 CE1 PHE A 53 15.315 -4.871 27.297 1.00 12.43 C ATOM 504 CE2 PHE A 53 14.921 -7.135 26.558 1.00 11.85 C ATOM 505 CZ PHE A 53 14.538 -5.796 26.601 1.00 13.71 C ATOM 506 H PHE A 53 19.386 -5.158 26.538 1.00 0.00 H ATOM 507 N GLN A 54 19.196 -9.093 26.730 1.00 9.49 N ATOM 508 CA GLN A 54 19.003 -10.044 25.639 1.00 11.32 C ATOM 509 C GLN A 54 17.655 -10.718 25.813 1.00 13.02 C ATOM 510 O GLN A 54 17.227 -10.976 26.939 1.00 14.25 O ATOM 511 CB GLN A 54 20.090 -11.122 25.659 1.00 15.69 C ATOM 512 CG GLN A 54 21.517 -10.595 25.531 1.00 19.43 C ATOM 513 CD GLN A 54 22.052 -9.985 26.827 1.00 24.76 C ATOM 514 OE1 GLN A 54 21.881 -10.544 27.923 1.00 23.58 O ATOM 515 NE2 GLN A 54 22.701 -8.831 26.707 1.00 24.85 N ATOM 516 HE22 GLN A 54 22.822 -8.397 25.769 1.00 0.00 H ATOM 517 HE21 GLN A 54 23.088 -8.362 27.551 1.00 0.00 H ATOM 518 H GLN A 54 19.278 -9.456 27.701 1.00 0.00 H ATOM 519 N ALA A 55 16.999 -11.026 24.702 1.00 11.37 N ATOM 520 CA ALA A 55 15.718 -11.707 24.766 1.00 12.07 C ATOM 521 C ALA A 55 15.639 -12.796 23.710 1.00 11.99 C ATOM 522 O ALA A 55 15.807 -12.523 22.519 1.00 13.19 O ATOM 523 CB ALA A 55 14.579 -10.712 24.591 1.00 13.73 C ATOM 524 H ALA A 55 17.405 -10.778 23.777 1.00 0.00 H ATOM 525 N HIS A 56 15.390 -14.024 24.160 1.00 11.40 N ATOM 526 CA HIS A 56 15.143 -15.146 23.272 1.00 11.10 C ATOM 527 C HIS A 56 13.634 -15.342 23.220 1.00 13.49 C ATOM 528 O HIS A 56 13.015 -15.736 24.215 1.00 15.71 O ATOM 529 CB HIS A 56 15.837 -16.399 23.818 1.00 11.98 C ATOM 530 CG HIS A 56 15.634 -17.633 22.985 1.00 13.95 C ATOM 531 ND1 HIS A 56 16.306 -17.854 21.803 1.00 15.60 N ATOM 532 CD2 HIS A 56 14.853 -18.721 23.185 1.00 17.29 C ATOM 533 CE1 HIS A 56 15.943 -19.025 21.304 1.00 18.17 C ATOM 534 NE2 HIS A 56 15.062 -19.570 22.123 1.00 18.26 N ATOM 535 H HIS A 56 15.372 -14.186 25.187 1.00 0.00 H ATOM 536 N VAL A 57 13.041 -15.035 22.068 1.00 9.98 N ATOM 537 CA VAL A 57 11.589 -15.121 21.910 1.00 9.16 C ATOM 538 C VAL A 57 11.212 -16.370 21.126 1.00 9.67 C ATOM 539 O VAL A 57 11.579 -16.507 19.963 1.00 11.11 O ATOM 540 CB VAL A 57 11.064 -13.892 21.158 1.00 9.37 C ATOM 541 CG1 VAL A 57 9.544 -13.969 20.995 1.00 9.74 C ATOM 542 CG2 VAL A 57 11.461 -12.616 21.906 1.00 11.49 C ATOM 543 H VAL A 57 13.623 -14.727 21.263 1.00 0.00 H ATOM 544 N PRO A 58 10.468 -17.287 21.767 1.00 10.76 N ATOM 545 CA PRO A 58 10.048 -18.508 21.074 1.00 10.96 C ATOM 546 C PRO A 58 9.119 -18.190 19.909 1.00 11.19 C ATOM 547 O PRO A 58 8.418 -17.171 19.949 1.00 11.08 O ATOM 548 CB PRO A 58 9.288 -19.287 22.154 1.00 14.19 C ATOM 549 CG PRO A 58 8.847 -18.259 23.127 1.00 16.48 C ATOM 550 CD PRO A 58 9.918 -17.200 23.131 1.00 12.39 C ATOM 551 N ALA A 59 9.105 -19.058 18.896 1.00 11.89 N ATOM 552 CA ALA A 59 8.255 -18.874 17.717 1.00 11.65 C ATOM 553 C ALA A 59 6.805 -18.536 18.056 1.00 8.35 C ATOM 554 O ALA A 59 6.188 -17.705 17.395 1.00 11.10 O ATOM 555 CB ALA A 59 8.307 -20.122 16.822 1.00 12.48 C ATOM 556 H ALA A 59 9.720 -19.895 18.945 1.00 0.00 H ATOM 557 N GLU A 60 6.258 -19.186 19.077 1.00 10.31 N ATOM 558 CA GLU A 60 4.849 -18.997 19.408 1.00 10.88 C ATOM 559 C GLU A 60 4.530 -17.546 19.795 1.00 11.44 C ATOM 560 O GLU A 60 3.400 -17.080 19.606 1.00 11.96 O ATOM 561 CB GLU A 60 4.425 -19.956 20.526 1.00 14.20 C ATOM 562 CG GLU A 60 2.922 -20.110 20.669 1.00 18.98 C ATOM 563 CD GLU A 60 2.312 -19.094 21.612 1.00 23.48 C ATOM 564 OE1 GLU A 60 3.041 -18.592 22.487 1.00 24.16 O ATOM 565 OE2 GLU A 60 1.105 -18.795 21.471 1.00 26.41 O ATOM 566 H GLU A 60 6.839 -19.835 19.645 1.00 0.00 H ATOM 567 N LYS A 61 5.532 -16.837 20.311 1.00 8.97 N ATOM 568 CA LYS A 61 5.354 -15.450 20.753 1.00 9.74 C ATOM 569 C LYS A 61 5.926 -14.460 19.735 1.00 9.89 C ATOM 570 O LYS A 61 6.068 -13.263 20.025 1.00 10.39 O ATOM 571 CB LYS A 61 5.987 -15.242 22.131 1.00 10.87 C ATOM 572 CG LYS A 61 5.280 -16.008 23.238 1.00 12.88 C ATOM 573 CD LYS A 61 5.939 -15.764 24.588 1.00 14.28 C ATOM 574 CE LYS A 61 5.207 -16.492 25.687 1.00 15.08 C ATOM 575 NZ LYS A 61 5.974 -16.445 26.952 1.00 16.14 N ATOM 576 HZ1 LYS A 61 6.901 -16.895 26.811 1.00 0.00 H ATOM 577 HZ2 LYS A 61 6.108 -15.454 27.238 1.00 0.00 H ATOM 578 HZ3 LYS A 61 5.450 -16.953 27.693 1.00 0.00 H ATOM 579 H LYS A 61 6.468 -17.280 20.403 1.00 0.00 H ATOM 580 N ALA A 62 6.250 -14.963 18.543 1.00 8.67 N ATOM 581 CA ALA A 62 6.798 -14.122 17.483 1.00 9.10 C ATOM 582 C ALA A 62 5.907 -14.226 16.246 1.00 10.06 C ATOM 583 O ALA A 62 4.812 -13.670 16.230 1.00 13.22 O ATOM 584 CB ALA A 62 8.237 -14.508 17.169 1.00 9.35 C ATOM 585 H ALA A 62 6.109 -15.978 18.365 1.00 0.00 H ATOM 586 N TYR A 63 6.350 -14.950 15.226 1.00 9.97 N ATOM 587 CA TYR A 63 5.550 -15.106 14.003 1.00 11.20 C ATOM 588 C TYR A 63 4.722 -16.386 13.961 1.00 13.05 C ATOM 589 O TYR A 63 4.059 -16.674 12.956 1.00 15.19 O ATOM 590 CB TYR A 63 6.420 -14.943 12.749 1.00 11.92 C ATOM 591 CG TYR A 63 6.947 -13.541 12.662 1.00 15.51 C ATOM 592 CD1 TYR A 63 8.145 -13.197 13.264 1.00 16.16 C ATOM 593 CD2 TYR A 63 6.209 -12.538 12.051 1.00 23.27 C ATOM 594 CE1 TYR A 63 8.616 -11.903 13.224 1.00 21.03 C ATOM 595 CE2 TYR A 63 6.672 -11.242 12.003 1.00 26.90 C ATOM 596 CZ TYR A 63 7.879 -10.928 12.593 1.00 28.46 C ATOM 597 OH TYR A 63 8.354 -9.633 12.556 1.00 33.51 O ATOM 598 HH TYR A 63 9.225 -9.589 13.024 1.00 0.00 H ATOM 599 H TYR A 63 7.278 -15.414 15.293 1.00 0.00 H ATOM 600 N GLY A 64 4.736 -17.134 15.060 1.00 10.35 N ATOM 601 CA GLY A 64 3.886 -18.297 15.180 1.00 12.34 C ATOM 602 C GLY A 64 4.615 -19.551 14.769 1.00 12.72 C ATOM 603 O GLY A 64 5.730 -19.489 14.250 1.00 11.69 O ATOM 604 H GLY A 64 5.368 -16.878 15.845 1.00 0.00 H ATOM 605 N PRO A 65 3.991 -20.703 15.004 1.00 13.25 N ATOM 606 CA PRO A 65 4.610 -21.956 14.581 1.00 12.02 C ATOM 607 C PRO A 65 4.515 -22.116 13.075 1.00 11.13 C ATOM 608 O PRO A 65 3.744 -21.420 12.394 1.00 13.59 O ATOM 609 CB PRO A 65 3.727 -23.013 15.252 1.00 15.23 C ATOM 610 CG PRO A 65 2.392 -22.370 15.318 1.00 17.65 C ATOM 611 CD PRO A 65 2.684 -20.921 15.646 1.00 16.47 C ATOM 612 N HIS A 66 5.294 -23.052 12.557 1.00 11.99 N ATOM 613 CA HIS A 66 5.232 -23.383 11.145 1.00 12.19 C ATOM 614 C HIS A 66 4.102 -24.386 10.966 1.00 14.49 C ATOM 615 O HIS A 66 4.085 -25.447 11.608 1.00 15.49 O ATOM 616 CB HIS A 66 6.568 -23.967 10.695 1.00 11.24 C ATOM 617 CG HIS A 66 6.621 -24.322 9.246 1.00 12.56 C ATOM 618 ND1 HIS A 66 6.220 -25.553 8.770 1.00 13.55 N ATOM 619 CD2 HIS A 66 7.063 -23.626 8.170 1.00 13.15 C ATOM 620 CE1 HIS A 66 6.398 -25.594 7.460 1.00 14.38 C ATOM 621 NE2 HIS A 66 6.909 -24.439 7.071 1.00 12.73 N ATOM 622 H HIS A 66 5.962 -23.559 13.172 1.00 0.00 H ATOM 623 N ASP A 67 3.131 -24.029 10.132 1.00 12.70 N ATOM 624 CA ASP A 67 1.985 -24.891 9.885 1.00 13.19 C ATOM 625 C ASP A 67 2.326 -25.837 8.737 1.00 12.44 C ATOM 626 O ASP A 67 2.594 -25.385 7.636 1.00 11.66 O ATOM 627 CB ASP A 67 0.779 -24.024 9.519 1.00 15.73 C ATOM 628 CG ASP A 67 -0.464 -24.837 9.183 1.00 20.38 C ATOM 629 OD1 ASP A 67 -0.450 -26.079 9.306 1.00 20.38 O ATOM 630 OD2 ASP A 67 -1.472 -24.216 8.798 1.00 25.96 O ATOM 631 H ASP A 67 3.192 -23.112 9.645 1.00 0.00 H ATOM 632 N PRO A 68 2.318 -27.155 8.990 1.00 13.19 N ATOM 633 CA PRO A 68 2.654 -28.079 7.902 1.00 11.57 C ATOM 634 C PRO A 68 1.732 -27.923 6.697 1.00 12.58 C ATOM 635 O PRO A 68 2.166 -28.123 5.568 1.00 12.21 O ATOM 636 CB PRO A 68 2.425 -29.465 8.519 1.00 13.93 C ATOM 637 CG PRO A 68 2.391 -29.264 9.971 1.00 17.80 C ATOM 638 CD PRO A 68 1.982 -27.850 10.244 1.00 14.86 C ATOM 639 N GLU A 69 0.478 -27.558 6.939 1.00 13.76 N ATOM 640 CA GLU A 69 -0.475 -27.408 5.845 1.00 12.92 C ATOM 641 C GLU A 69 -0.143 -26.240 4.902 1.00 14.43 C ATOM 642 O GLU A 69 -0.766 -26.094 3.840 1.00 17.14 O ATOM 643 CB GLU A 69 -1.908 -27.311 6.391 1.00 15.57 C ATOM 644 CG GLU A 69 -2.279 -28.515 7.266 1.00 21.22 C ATOM 645 CD GLU A 69 -3.710 -28.477 7.775 1.00 30.04 C ATOM 646 OE1 GLU A 69 -4.288 -27.374 7.865 1.00 35.33 O ATOM 647 OE2 GLU A 69 -4.257 -29.555 8.088 1.00 31.08 O ATOM 648 H GLU A 69 0.173 -27.378 7.917 1.00 0.00 H ATOM 649 N GLY A 70 0.844 -25.424 5.278 1.00 11.51 N ATOM 650 CA GLY A 70 1.309 -24.355 4.415 1.00 10.17 C ATOM 651 C GLY A 70 2.226 -24.851 3.304 1.00 10.16 C ATOM 652 O GLY A 70 2.544 -24.115 2.370 1.00 11.42 O ATOM 653 H GLY A 70 1.289 -25.557 6.209 1.00 0.00 H ATOM 654 N VAL A 71 2.660 -26.103 3.401 1.00 9.77 N ATOM 655 CA VAL A 71 3.523 -26.673 2.364 1.00 10.17 C ATOM 656 C VAL A 71 2.663 -27.420 1.345 1.00 11.67 C ATOM 657 O VAL A 71 1.975 -28.382 1.693 1.00 11.58 O ATOM 658 CB VAL A 71 4.592 -27.602 2.975 1.00 11.34 C ATOM 659 CG1 VAL A 71 5.568 -28.069 1.913 1.00 11.41 C ATOM 660 CG2 VAL A 71 5.342 -26.881 4.086 1.00 12.08 C ATOM 661 H VAL A 71 2.385 -26.683 4.219 1.00 0.00 H ATOM 662 N GLN A 72 2.710 -26.970 0.089 1.00 9.55 N ATOM 663 CA GLN A 72 1.790 -27.447 -0.942 1.00 9.46 C ATOM 664 C GLN A 72 2.515 -27.629 -2.268 1.00 11.02 C ATOM 665 O GLN A 72 3.551 -27.018 -2.514 1.00 13.28 O ATOM 666 CB GLN A 72 0.650 -26.436 -1.122 1.00 10.20 C ATOM 667 CG GLN A 72 -0.210 -26.230 0.140 1.00 12.58 C ATOM 668 CD GLN A 72 -1.194 -27.366 0.376 1.00 13.23 C ATOM 669 OE1 GLN A 72 -1.546 -28.092 -0.550 1.00 17.30 O ATOM 670 NE2 GLN A 72 -1.647 -27.518 1.622 1.00 13.00 N ATOM 671 HE22 GLN A 72 -1.321 -26.879 2.375 1.00 0.00 H ATOM 672 HE21 GLN A 72 -2.326 -28.275 1.840 1.00 0.00 H ATOM 673 H GLN A 72 3.424 -26.257 -0.164 1.00 0.00 H ATOM 674 N VAL A 73 1.971 -28.486 -3.125 1.00 10.24 N ATOM 675 CA VAL A 73 2.551 -28.659 -4.448 1.00 10.17 C ATOM 676 C VAL A 73 1.678 -27.922 -5.454 1.00 11.45 C ATOM 677 O VAL A 73 0.450 -28.086 -5.452 1.00 13.36 O ATOM 678 CB VAL A 73 2.647 -30.156 -4.823 1.00 11.48 C ATOM 679 CG1 VAL A 73 3.183 -30.324 -6.230 1.00 12.49 C ATOM 680 CG2 VAL A 73 3.523 -30.886 -3.828 1.00 13.31 C ATOM 681 H VAL A 73 1.130 -29.033 -2.850 1.00 0.00 H ATOM 682 N VAL A 74 2.299 -27.081 -6.281 1.00 12.37 N ATOM 683 CA VAL A 74 1.593 -26.375 -7.352 1.00 13.27 C ATOM 684 C VAL A 74 2.305 -26.669 -8.682 1.00 13.06 C ATOM 685 O VAL A 74 3.469 -27.059 -8.695 1.00 14.73 O ATOM 686 CB VAL A 74 1.484 -24.850 -7.075 1.00 15.19 C ATOM 687 CG1 VAL A 74 0.770 -24.581 -5.736 1.00 16.17 C ATOM 688 CG2 VAL A 74 2.837 -24.211 -7.085 1.00 16.73 C ATOM 689 H VAL A 74 3.320 -26.921 -6.161 1.00 0.00 H ATOM 690 N PRO A 75 1.595 -26.529 -9.803 1.00 13.00 N ATOM 691 CA PRO A 75 2.262 -26.847 -11.070 1.00 13.38 C ATOM 692 C PRO A 75 3.259 -25.768 -11.493 1.00 13.48 C ATOM 693 O PRO A 75 3.030 -24.578 -11.267 1.00 12.91 O ATOM 694 CB PRO A 75 1.102 -26.915 -12.082 1.00 15.88 C ATOM 695 CG PRO A 75 -0.158 -26.901 -11.274 1.00 18.97 C ATOM 696 CD PRO A 75 0.165 -26.226 -9.978 1.00 15.23 C ATOM 697 N LEU A 76 4.355 -26.184 -12.118 1.00 14.34 N ATOM 698 CA LEU A 76 5.342 -25.245 -12.650 1.00 13.90 C ATOM 699 C LEU A 76 4.712 -24.249 -13.623 1.00 14.15 C ATOM 700 O LEU A 76 5.149 -23.099 -13.729 1.00 14.11 O ATOM 701 CB LEU A 76 6.455 -26.016 -13.369 1.00 16.13 C ATOM 702 CG LEU A 76 7.631 -25.209 -13.910 1.00 17.07 C ATOM 703 CD1 LEU A 76 8.251 -24.372 -12.817 1.00 17.90 C ATOM 704 CD2 LEU A 76 8.671 -26.143 -14.512 1.00 20.08 C ATOM 705 H LEU A 76 4.515 -27.205 -12.232 1.00 0.00 H ATOM 706 N SER A 77 3.672 -24.692 -14.325 1.00 13.53 N ATOM 707 CA SER A 77 3.032 -23.849 -15.326 1.00 15.30 C ATOM 708 C SER A 77 2.342 -22.633 -14.714 1.00 14.90 C ATOM 709 O SER A 77 1.997 -21.697 -15.423 1.00 13.81 O ATOM 710 CB SER A 77 2.026 -24.651 -16.162 1.00 20.03 C ATOM 711 OG SER A 77 1.027 -25.228 -15.340 1.00 21.94 O ATOM 712 HG SER A 77 0.541 -24.511 -14.860 1.00 0.00 H ATOM 713 H SER A 77 3.311 -25.653 -14.157 1.00 0.00 H ATOM 714 N ALA A 78 2.136 -22.642 -13.402 1.00 13.62 N ATOM 715 CA ALA A 78 1.465 -21.517 -12.760 1.00 13.95 C ATOM 716 C ALA A 78 2.393 -20.314 -12.584 1.00 14.19 C ATOM 717 O ALA A 78 1.929 -19.181 -12.415 1.00 14.17 O ATOM 718 CB ALA A 78 0.856 -21.949 -11.427 1.00 15.00 C ATOM 719 H ALA A 78 2.453 -23.452 -12.832 1.00 0.00 H ATOM 720 N PHE A 79 3.701 -20.544 -12.641 1.00 12.28 N ATOM 721 CA PHE A 79 4.650 -19.453 -12.419 1.00 10.83 C ATOM 722 C PHE A 79 4.815 -18.592 -13.653 1.00 11.49 C ATOM 723 O PHE A 79 4.592 -19.050 -14.773 1.00 10.76 O ATOM 724 CB PHE A 79 6.009 -20.012 -11.997 1.00 9.33 C ATOM 725 CG PHE A 79 6.020 -20.572 -10.594 1.00 9.55 C ATOM 726 CD1 PHE A 79 5.539 -21.850 -10.329 1.00 12.23 C ATOM 727 CD2 PHE A 79 6.499 -19.807 -9.543 1.00 10.63 C ATOM 728 CE1 PHE A 79 5.546 -22.347 -9.039 1.00 13.35 C ATOM 729 CE2 PHE A 79 6.499 -20.303 -8.248 1.00 11.28 C ATOM 730 CZ PHE A 79 6.024 -21.572 -8.000 1.00 12.06 C ATOM 731 H PHE A 79 4.051 -21.502 -12.844 1.00 0.00 H ATOM 732 N PRO A 80 5.236 -17.337 -13.461 1.00 11.57 N ATOM 733 CA PRO A 80 5.485 -16.519 -14.654 1.00 13.58 C ATOM 734 C PRO A 80 6.641 -17.119 -15.455 1.00 14.07 C ATOM 735 O PRO A 80 7.595 -17.602 -14.846 1.00 15.79 O ATOM 736 CB PRO A 80 5.899 -15.171 -14.061 1.00 14.59 C ATOM 737 CG PRO A 80 5.259 -15.153 -12.682 1.00 14.61 C ATOM 738 CD PRO A 80 5.361 -16.570 -12.209 1.00 14.58 C ATOM 739 N GLU A 81 6.564 -17.093 -16.786 1.00 13.18 N ATOM 740 CA GLU A 81 7.604 -17.706 -17.617 1.00 17.77 C ATOM 741 C GLU A 81 8.942 -16.994 -17.542 1.00 20.48 C ATOM 742 O GLU A 81 9.988 -17.595 -17.796 1.00 23.96 O ATOM 743 CB GLU A 81 7.161 -17.787 -19.079 1.00 20.68 C ATOM 744 CG GLU A 81 5.998 -18.708 -19.264 1.00 22.37 C ATOM 745 CD GLU A 81 5.706 -19.046 -20.716 1.00 22.99 C ATOM 746 OE1 GLU A 81 6.407 -18.559 -21.635 1.00 23.00 O ATOM 747 OE2 GLU A 81 4.750 -19.810 -20.929 1.00 21.59 O ATOM 748 H GLU A 81 5.752 -16.630 -17.242 1.00 0.00 H ATOM 749 N ASP A 82 8.916 -15.714 -17.206 1.00 19.11 N ATOM 750 CA ASP A 82 10.150 -14.945 -17.156 1.00 22.46 C ATOM 751 C ASP A 82 10.826 -15.010 -15.785 1.00 24.37 C ATOM 752 O ASP A 82 11.809 -14.316 -15.543 1.00 27.86 O ATOM 753 CB ASP A 82 9.903 -13.493 -17.573 1.00 22.56 C ATOM 754 CG ASP A 82 8.800 -12.837 -16.781 1.00 24.44 C ATOM 755 OD1 ASP A 82 7.813 -13.526 -16.439 1.00 21.74 O ATOM 756 OD2 ASP A 82 8.907 -11.621 -16.513 1.00 27.46 O ATOM 757 H ASP A 82 8.011 -15.257 -16.977 1.00 0.00 H ATOM 758 N ALA A 83 10.311 -15.864 -14.907 1.00 22.85 N ATOM 759 CA ALA A 83 10.817 -15.949 -13.534 1.00 23.76 C ATOM 760 C ALA A 83 11.772 -17.121 -13.334 1.00 22.62 C ATOM 761 O ALA A 83 11.673 -18.135 -14.026 1.00 22.50 O ATOM 762 CB ALA A 83 9.655 -16.051 -12.558 1.00 25.36 C ATOM 763 H ALA A 83 9.531 -16.486 -15.201 1.00 0.00 H ATOM 764 N GLU A 84 12.695 -16.979 -12.386 1.00 21.90 N ATOM 765 CA GLU A 84 13.547 -18.093 -11.987 1.00 23.68 C ATOM 766 C GLU A 84 12.906 -18.832 -10.821 1.00 19.92 C ATOM 767 O GLU A 84 12.816 -18.304 -9.717 1.00 18.14 O ATOM 768 CB GLU A 84 14.937 -17.596 -11.592 1.00 31.66 C ATOM 769 CG GLU A 84 15.720 -17.004 -12.748 1.00 39.61 C ATOM 770 CD GLU A 84 15.979 -18.015 -13.852 1.00 46.36 C ATOM 771 OE1 GLU A 84 16.221 -19.200 -13.534 1.00 49.23 O ATOM 772 OE2 GLU A 84 15.936 -17.627 -15.040 1.00 48.89 O ATOM 773 H GLU A 84 12.811 -16.056 -11.921 1.00 0.00 H ATOM 774 N VAL A 85 12.457 -20.054 -11.085 1.00 17.37 N ATOM 775 CA VAL A 85 11.767 -20.852 -10.092 1.00 14.78 C ATOM 776 C VAL A 85 12.752 -21.840 -9.491 1.00 17.33 C ATOM 777 O VAL A 85 12.974 -22.925 -10.025 1.00 20.46 O ATOM 778 CB VAL A 85 10.585 -21.591 -10.711 1.00 13.89 C ATOM 779 CG1 VAL A 85 9.762 -22.255 -9.619 1.00 15.73 C ATOM 780 CG2 VAL A 85 9.730 -20.605 -11.492 1.00 14.85 C ATOM 781 H VAL A 85 12.606 -20.451 -12.035 1.00 0.00 H ATOM 782 N VAL A 86 13.355 -21.436 -8.378 1.00 15.92 N ATOM 783 CA VAL A 86 14.405 -22.213 -7.727 1.00 16.45 C ATOM 784 C VAL A 86 14.205 -22.125 -6.217 1.00 16.05 C ATOM 785 O VAL A 86 13.553 -21.205 -5.735 1.00 15.53 O ATOM 786 CB VAL A 86 15.808 -21.665 -8.097 1.00 20.13 C ATOM 787 CG1 VAL A 86 16.073 -21.824 -9.585 1.00 19.44 C ATOM 788 CG2 VAL A 86 15.940 -20.216 -7.684 1.00 20.21 C ATOM 789 H VAL A 86 13.068 -20.531 -7.954 1.00 0.00 H ATOM 790 N PRO A 87 14.763 -23.086 -5.461 1.00 18.52 N ATOM 791 CA PRO A 87 14.607 -23.056 -4.003 1.00 17.28 C ATOM 792 C PRO A 87 15.023 -21.719 -3.396 1.00 16.71 C ATOM 793 O PRO A 87 16.089 -21.179 -3.721 1.00 17.90 O ATOM 794 CB PRO A 87 15.538 -24.180 -3.541 1.00 16.42 C ATOM 795 CG PRO A 87 15.524 -25.144 -4.685 1.00 19.30 C ATOM 796 CD PRO A 87 15.509 -24.278 -5.910 1.00 20.32 C ATOM 797 N GLY A 88 14.163 -21.169 -2.545 1.00 16.08 N ATOM 798 CA GLY A 88 14.424 -19.893 -1.910 1.00 16.65 C ATOM 799 C GLY A 88 13.731 -18.709 -2.567 1.00 15.15 C ATOM 800 O GLY A 88 13.551 -17.662 -1.935 1.00 16.16 O ATOM 801 H GLY A 88 13.277 -21.669 -2.329 1.00 0.00 H ATOM 802 N ALA A 89 13.346 -18.865 -3.833 1.00 14.26 N ATOM 803 CA ALA A 89 12.688 -17.777 -4.563 1.00 13.36 C ATOM 804 C ALA A 89 11.337 -17.467 -3.951 1.00 14.79 C ATOM 805 O ALA A 89 10.555 -18.372 -3.666 1.00 15.74 O ATOM 806 CB ALA A 89 12.532 -18.130 -6.038 1.00 13.33 C ATOM 807 H ALA A 89 13.515 -19.773 -4.311 1.00 0.00 H ATOM 808 N GLN A 90 11.073 -16.180 -3.738 1.00 14.54 N ATOM 809 CA GLN A 90 9.796 -15.745 -3.185 1.00 14.23 C ATOM 810 C GLN A 90 8.923 -15.163 -4.292 1.00 14.13 C ATOM 811 O GLN A 90 9.428 -14.517 -5.210 1.00 15.90 O ATOM 812 CB GLN A 90 10.009 -14.709 -2.074 1.00 16.54 C ATOM 813 CG GLN A 90 10.636 -15.275 -0.803 1.00 18.91 C ATOM 814 CD GLN A 90 10.871 -14.206 0.260 1.00 25.34 C ATOM 815 OE1 GLN A 90 10.877 -13.011 -0.039 1.00 27.30 O ATOM 816 NE2 GLN A 90 11.057 -14.636 1.508 1.00 28.22 N ATOM 817 HE22 GLN A 90 11.044 -15.655 1.714 1.00 0.00 H ATOM 818 HE21 GLN A 90 11.215 -13.952 2.275 1.00 0.00 H ATOM 819 H GLN A 90 11.794 -15.468 -3.971 1.00 0.00 H ATOM 820 N PHE A 91 7.614 -15.399 -4.203 1.00 10.99 N ATOM 821 CA PHE A 91 6.665 -14.881 -5.191 1.00 12.28 C ATOM 822 C PHE A 91 5.399 -14.388 -4.519 1.00 11.84 C ATOM 823 O PHE A 91 4.904 -15.009 -3.579 1.00 11.30 O ATOM 824 CB PHE A 91 6.261 -15.972 -6.185 1.00 12.64 C ATOM 825 CG PHE A 91 7.344 -16.351 -7.150 1.00 13.79 C ATOM 826 CD1 PHE A 91 7.420 -15.745 -8.389 1.00 16.38 C ATOM 827 CD2 PHE A 91 8.274 -17.328 -6.820 1.00 13.24 C ATOM 828 CE1 PHE A 91 8.413 -16.091 -9.284 1.00 16.89 C ATOM 829 CE2 PHE A 91 9.271 -17.684 -7.709 1.00 13.83 C ATOM 830 CZ PHE A 91 9.340 -17.063 -8.953 1.00 15.53 C ATOM 831 H PHE A 91 7.256 -15.967 -3.409 1.00 0.00 H ATOM 832 N TYR A 92 4.856 -13.281 -5.016 1.00 11.46 N ATOM 833 CA TYR A 92 3.510 -12.890 -4.630 1.00 11.54 C ATOM 834 C TYR A 92 2.513 -13.824 -5.318 1.00 12.72 C ATOM 835 O TYR A 92 2.706 -14.199 -6.477 1.00 14.67 O ATOM 836 CB TYR A 92 3.217 -11.436 -5.022 1.00 11.38 C ATOM 837 CG TYR A 92 1.826 -11.015 -4.634 1.00 12.19 C ATOM 838 CD1 TYR A 92 1.561 -10.555 -3.352 1.00 12.24 C ATOM 839 CD2 TYR A 92 0.767 -11.130 -5.522 1.00 10.90 C ATOM 840 CE1 TYR A 92 0.291 -10.198 -2.975 1.00 13.42 C ATOM 841 CE2 TYR A 92 -0.500 -10.787 -5.154 1.00 12.35 C ATOM 842 CZ TYR A 92 -0.739 -10.322 -3.877 1.00 13.07 C ATOM 843 OH TYR A 92 -2.010 -9.974 -3.489 1.00 10.76 O ATOM 844 HH TYR A 92 -1.994 -9.665 -2.549 1.00 0.00 H ATOM 845 H TYR A 92 5.396 -12.693 -5.683 1.00 0.00 H ATOM 846 N ALA A 93 1.456 -14.189 -4.594 1.00 10.60 N ATOM 847 CA ALA A 93 0.412 -15.066 -5.106 1.00 12.39 C ATOM 848 C ALA A 93 -0.929 -14.752 -4.447 1.00 13.63 C ATOM 849 O ALA A 93 -0.974 -14.095 -3.412 1.00 12.86 O ATOM 850 CB ALA A 93 0.794 -16.532 -4.863 1.00 12.71 C ATOM 851 H ALA A 93 1.373 -13.832 -3.621 1.00 0.00 H ATOM 852 N GLN A 94 -2.014 -15.228 -5.058 1.00 12.42 N ATOM 853 CA GLN A 94 -3.359 -15.138 -4.495 1.00 12.05 C ATOM 854 C GLN A 94 -4.102 -16.438 -4.726 1.00 15.99 C ATOM 855 O GLN A 94 -3.824 -17.141 -5.699 1.00 18.35 O ATOM 856 CB GLN A 94 -4.169 -14.054 -5.195 1.00 14.54 C ATOM 857 CG GLN A 94 -3.687 -12.651 -4.970 1.00 13.16 C ATOM 858 CD GLN A 94 -4.553 -11.646 -5.681 1.00 15.48 C ATOM 859 OE1 GLN A 94 -5.477 -12.016 -6.414 1.00 17.23 O ATOM 860 NE2 GLN A 94 -4.265 -10.368 -5.478 1.00 14.26 N ATOM 861 HE22 GLN A 94 -3.477 -10.106 -4.852 1.00 0.00 H ATOM 862 HE21 GLN A 94 -4.827 -9.628 -5.945 1.00 0.00 H ATOM 863 H GLN A 94 -1.897 -15.687 -5.984 1.00 0.00 H ATOM 864 N ASP A 95 -5.069 -16.736 -3.859 1.00 15.91 N ATOM 865 CA ASP A 95 -5.992 -17.836 -4.137 1.00 18.40 C ATOM 866 C ASP A 95 -7.064 -17.391 -5.132 1.00 20.71 C ATOM 867 O ASP A 95 -7.072 -16.244 -5.570 1.00 21.40 O ATOM 868 CB ASP A 95 -6.602 -18.427 -2.857 1.00 19.56 C ATOM 869 CG ASP A 95 -7.556 -17.472 -2.134 1.00 21.86 C ATOM 870 OD1 ASP A 95 -7.980 -16.447 -2.705 1.00 21.21 O ATOM 871 OD2 ASP A 95 -7.898 -17.772 -0.969 1.00 23.07 O ATOM 872 H ASP A 95 -5.168 -16.185 -2.982 1.00 0.00 H ATOM 873 N MET A 96 -7.978 -18.294 -5.465 1.00 23.62 N ATOM 874 CA MET A 96 -9.000 -18.016 -6.471 1.00 25.18 C ATOM 875 C MET A 96 -9.942 -16.882 -6.099 1.00 26.89 C ATOM 876 O MET A 96 -10.531 -16.247 -6.979 1.00 29.88 O ATOM 877 CB MET A 96 -9.812 -19.278 -6.766 1.00 26.34 C ATOM 878 CG MET A 96 -9.065 -20.292 -7.597 1.00 29.77 C ATOM 879 SD MET A 96 -8.519 -19.572 -9.154 1.00 73.33 S ATOM 880 CE MET A 96 -6.765 -19.927 -9.104 1.00 48.88 C ATOM 881 H MET A 96 -7.966 -19.223 -4.998 1.00 0.00 H ATOM 882 N GLU A 97 -10.083 -16.630 -4.799 1.00 26.27 N ATOM 883 CA GLU A 97 -10.969 -15.578 -4.314 1.00 27.81 C ATOM 884 C GLU A 97 -10.254 -14.235 -4.192 1.00 25.58 C ATOM 885 O GLU A 97 -10.861 -13.235 -3.836 1.00 27.51 O ATOM 886 CB GLU A 97 -11.584 -15.966 -2.970 1.00 32.61 C ATOM 887 CG GLU A 97 -12.585 -17.117 -3.048 1.00 38.33 C ATOM 888 CD GLU A 97 -11.916 -18.456 -3.300 1.00 45.52 C ATOM 889 OE1 GLU A 97 -10.724 -18.603 -2.946 1.00 47.02 O ATOM 890 OE2 GLU A 97 -12.579 -19.357 -3.858 1.00 48.99 O ATOM 891 H GLU A 97 -9.547 -17.198 -4.112 1.00 0.00 H ATOM 892 N GLY A 98 -8.959 -14.220 -4.482 1.00 23.53 N ATOM 893 CA GLY A 98 -8.193 -12.987 -4.466 1.00 19.67 C ATOM 894 C GLY A 98 -7.492 -12.692 -3.155 1.00 19.14 C ATOM 895 O GLY A 98 -6.938 -11.606 -2.990 1.00 20.50 O ATOM 896 H GLY A 98 -8.482 -15.112 -4.726 1.00 0.00 H ATOM 897 N ASN A 99 -7.515 -13.643 -2.223 1.00 15.06 N ATOM 898 CA ASN A 99 -6.788 -13.498 -0.962 1.00 15.82 C ATOM 899 C ASN A 99 -5.292 -13.640 -1.166 1.00 14.51 C ATOM 900 O ASN A 99 -4.843 -14.596 -1.793 1.00 15.71 O ATOM 901 CB ASN A 99 -7.242 -14.546 0.055 1.00 20.39 C ATOM 902 CG ASN A 99 -8.711 -14.442 0.376 1.00 26.88 C ATOM 903 OD1 ASN A 99 -9.214 -13.357 0.669 1.00 28.83 O ATOM 904 ND2 ASN A 99 -9.416 -15.569 0.309 1.00 27.10 N ATOM 905 HD22 ASN A 99 -8.946 -16.462 0.057 1.00 0.00 H ATOM 906 HD21 ASN A 99 -10.437 -15.557 0.509 1.00 0.00 H ATOM 907 H ASN A 99 -8.063 -14.510 -2.396 1.00 0.00 H ATOM 908 N PRO A 100 -4.504 -12.699 -0.626 1.00 11.54 N ATOM 909 CA PRO A 100 -3.053 -12.810 -0.765 1.00 10.79 C ATOM 910 C PRO A 100 -2.489 -14.068 -0.109 1.00 12.58 C ATOM 911 O PRO A 100 -2.839 -14.394 1.032 1.00 15.12 O ATOM 912 CB PRO A 100 -2.541 -11.566 -0.035 1.00 13.29 C ATOM 913 CG PRO A 100 -3.647 -10.586 -0.166 1.00 13.85 C ATOM 914 CD PRO A 100 -4.898 -11.405 -0.035 1.00 13.16 C ATOM 915 N MET A 101 -1.609 -14.752 -0.831 1.00 12.91 N ATOM 916 CA MET A 101 -0.936 -15.936 -0.325 1.00 14.99 C ATOM 917 C MET A 101 0.495 -15.975 -0.830 1.00 12.18 C ATOM 918 O MET A 101 0.848 -16.841 -1.622 1.00 13.87 O ATOM 919 CB MET A 101 -1.657 -17.200 -0.804 1.00 19.42 C ATOM 920 CG MET A 101 -3.023 -17.407 -0.205 1.00 23.15 C ATOM 921 SD MET A 101 -3.657 -19.033 -0.610 1.00 32.94 S ATOM 922 CE MET A 101 -2.532 -20.060 0.339 1.00 37.25 C ATOM 923 H MET A 101 -1.393 -14.428 -1.795 1.00 0.00 H ATOM 924 N PRO A 102 1.330 -15.015 -0.408 1.00 13.16 N ATOM 925 CA PRO A 102 2.719 -15.061 -0.883 1.00 12.33 C ATOM 926 C PRO A 102 3.403 -16.381 -0.503 1.00 12.15 C ATOM 927 O PRO A 102 3.006 -17.037 0.462 1.00 12.56 O ATOM 928 CB PRO A 102 3.377 -13.883 -0.157 1.00 15.16 C ATOM 929 CG PRO A 102 2.500 -13.646 1.051 1.00 17.62 C ATOM 930 CD PRO A 102 1.112 -13.942 0.581 1.00 16.20 C ATOM 931 N LEU A 103 4.424 -16.763 -1.262 1.00 10.78 N ATOM 932 CA LEU A 103 5.023 -18.079 -1.078 1.00 10.08 C ATOM 933 C LEU A 103 6.526 -18.063 -1.266 1.00 10.97 C ATOM 934 O LEU A 103 7.077 -17.168 -1.908 1.00 12.04 O ATOM 935 CB LEU A 103 4.393 -19.076 -2.063 1.00 10.10 C ATOM 936 CG LEU A 103 4.606 -18.862 -3.566 1.00 10.07 C ATOM 937 CD1 LEU A 103 5.941 -19.427 -4.069 1.00 12.90 C ATOM 938 CD2 LEU A 103 3.446 -19.476 -4.343 1.00 10.45 C ATOM 939 H LEU A 103 4.797 -16.121 -1.990 1.00 0.00 H ATOM 940 N THR A 104 7.180 -19.080 -0.721 1.00 10.05 N ATOM 941 CA THR A 104 8.579 -19.334 -1.023 1.00 10.82 C ATOM 942 C THR A 104 8.660 -20.689 -1.706 1.00 10.86 C ATOM 943 O THR A 104 7.983 -21.635 -1.294 1.00 11.45 O ATOM 944 CB THR A 104 9.440 -19.388 0.251 1.00 13.74 C ATOM 945 OG1 THR A 104 9.304 -18.164 0.988 1.00 15.03 O ATOM 946 CG2 THR A 104 10.904 -19.583 -0.120 1.00 15.42 C ATOM 947 HG1 THR A 104 9.861 -18.208 1.805 1.00 0.00 H ATOM 948 H THR A 104 6.680 -19.711 -0.062 1.00 0.00 H ATOM 949 N VAL A 105 9.482 -20.788 -2.744 1.00 10.61 N ATOM 950 CA VAL A 105 9.722 -22.069 -3.409 1.00 12.81 C ATOM 951 C VAL A 105 10.617 -22.956 -2.548 1.00 15.08 C ATOM 952 O VAL A 105 11.676 -22.525 -2.096 1.00 13.77 O ATOM 953 CB VAL A 105 10.382 -21.879 -4.788 1.00 13.54 C ATOM 954 CG1 VAL A 105 10.725 -23.221 -5.403 1.00 14.50 C ATOM 955 CG2 VAL A 105 9.450 -21.096 -5.720 1.00 12.60 C ATOM 956 H VAL A 105 9.966 -19.936 -3.092 1.00 0.00 H ATOM 957 N VAL A 106 10.174 -24.188 -2.311 1.00 13.61 N ATOM 958 CA VAL A 106 10.961 -25.152 -1.546 1.00 15.18 C ATOM 959 C VAL A 106 11.797 -26.032 -2.462 1.00 18.21 C ATOM 960 O VAL A 106 13.001 -26.218 -2.247 1.00 22.42 O ATOM 961 CB VAL A 106 10.059 -26.065 -0.691 1.00 17.15 C ATOM 962 CG1 VAL A 106 10.900 -27.109 0.041 1.00 18.95 C ATOM 963 CG2 VAL A 106 9.246 -25.242 0.295 1.00 18.83 C ATOM 964 H VAL A 106 9.244 -24.472 -2.680 1.00 0.00 H ATOM 965 N ALA A 107 11.153 -26.581 -3.482 1.00 16.02 N ATOM 966 CA ALA A 107 11.812 -27.518 -4.375 1.00 18.49 C ATOM 967 C ALA A 107 11.048 -27.629 -5.689 1.00 18.28 C ATOM 968 O ALA A 107 9.844 -27.392 -5.741 1.00 17.97 O ATOM 969 CB ALA A 107 11.916 -28.878 -3.717 1.00 21.18 C ATOM 970 H ALA A 107 10.156 -26.336 -3.646 1.00 0.00 H ATOM 971 N VAL A 108 11.759 -27.992 -6.745 1.00 19.25 N ATOM 972 CA VAL A 108 11.136 -28.233 -8.036 1.00 22.24 C ATOM 973 C VAL A 108 11.470 -29.655 -8.452 1.00 25.67 C ATOM 974 O VAL A 108 12.626 -30.066 -8.396 1.00 24.87 O ATOM 975 CB VAL A 108 11.643 -27.260 -9.116 1.00 22.20 C ATOM 976 CG1 VAL A 108 11.012 -27.580 -10.472 1.00 21.45 C ATOM 977 CG2 VAL A 108 11.351 -25.817 -8.722 1.00 20.98 C ATOM 978 H VAL A 108 12.788 -28.108 -6.649 1.00 0.00 H ATOM 979 N GLU A 109 10.453 -30.420 -8.828 1.00 25.55 N ATOM 980 CA GLU A 109 10.672 -31.768 -9.336 1.00 28.43 C ATOM 981 C GLU A 109 9.875 -31.925 -10.611 1.00 24.78 C ATOM 982 O GLU A 109 8.675 -32.168 -10.577 1.00 22.03 O ATOM 983 CB GLU A 109 10.251 -32.820 -8.308 1.00 38.30 C ATOM 984 CG GLU A 109 11.106 -32.835 -7.050 1.00 49.12 C ATOM 985 CD GLU A 109 10.676 -33.902 -6.052 1.00 59.06 C ATOM 986 OE1 GLU A 109 9.566 -34.460 -6.204 1.00 63.83 O ATOM 987 OE2 GLU A 109 11.449 -34.188 -5.110 1.00 61.26 O ATOM 988 H GLU A 109 9.483 -30.051 -8.759 1.00 0.00 H ATOM 989 N GLY A 110 10.555 -31.769 -11.739 1.00 27.37 N ATOM 990 CA GLY A 110 9.897 -31.811 -13.027 1.00 26.35 C ATOM 991 C GLY A 110 8.938 -30.648 -13.163 1.00 26.09 C ATOM 992 O GLY A 110 9.328 -29.488 -13.039 1.00 26.77 O ATOM 993 H GLY A 110 11.582 -31.613 -11.697 1.00 0.00 H ATOM 994 N GLU A 111 7.669 -30.957 -13.383 1.00 24.71 N ATOM 995 CA GLU A 111 6.663 -29.920 -13.546 1.00 24.86 C ATOM 996 C GLU A 111 5.868 -29.665 -12.270 1.00 21.55 C ATOM 997 O GLU A 111 4.821 -29.018 -12.312 1.00 22.19 O ATOM 998 CB GLU A 111 5.727 -30.286 -14.691 1.00 29.93 C ATOM 999 CG GLU A 111 6.469 -30.578 -15.975 1.00 34.42 C ATOM 1000 CD GLU A 111 5.537 -30.947 -17.095 1.00 39.94 C ATOM 1001 OE1 GLU A 111 4.705 -31.859 -16.890 1.00 41.46 O ATOM 1002 OE2 GLU A 111 5.632 -30.314 -18.169 1.00 41.87 O ATOM 1003 H GLU A 111 7.388 -31.957 -13.440 1.00 0.00 H ATOM 1004 N GLU A 112 6.376 -30.167 -11.148 1.00 19.38 N ATOM 1005 CA GLU A 112 5.750 -29.972 -9.839 1.00 20.07 C ATOM 1006 C GLU A 112 6.635 -29.114 -8.935 1.00 19.05 C ATOM 1007 O GLU A 112 7.801 -29.443 -8.713 1.00 21.34 O ATOM 1008 CB GLU A 112 5.540 -31.316 -9.136 1.00 26.60 C ATOM 1009 CG GLU A 112 4.584 -32.297 -9.807 1.00 34.53 C ATOM 1010 CD GLU A 112 4.427 -33.578 -8.987 1.00 42.72 C ATOM 1011 OE1 GLU A 112 3.978 -33.492 -7.821 1.00 44.76 O ATOM 1012 OE2 GLU A 112 4.768 -34.669 -9.498 1.00 46.45 O ATOM 1013 H GLU A 112 7.254 -30.721 -11.203 1.00 0.00 H ATOM 1014 N VAL A 113 6.074 -28.045 -8.373 1.00 13.05 N ATOM 1015 CA VAL A 113 6.844 -27.191 -7.482 1.00 11.15 C ATOM 1016 C VAL A 113 6.276 -27.255 -6.067 1.00 11.04 C ATOM 1017 O VAL A 113 5.096 -26.988 -5.858 1.00 12.97 O ATOM 1018 CB VAL A 113 6.812 -25.729 -7.957 1.00 11.97 C ATOM 1019 CG1 VAL A 113 7.806 -24.880 -7.149 1.00 12.02 C ATOM 1020 CG2 VAL A 113 7.125 -25.645 -9.444 1.00 13.93 C ATOM 1021 H VAL A 113 5.079 -27.819 -8.572 1.00 0.00 H ATOM 1022 N THR A 114 7.116 -27.626 -5.101 1.00 10.21 N ATOM 1023 CA THR A 114 6.723 -27.572 -3.697 1.00 10.70 C ATOM 1024 C THR A 114 6.951 -26.151 -3.188 1.00 12.32 C ATOM 1025 O THR A 114 8.050 -25.607 -3.333 1.00 11.64 O ATOM 1026 CB THR A 114 7.524 -28.589 -2.860 1.00 11.94 C ATOM 1027 OG1 THR A 114 7.334 -29.897 -3.421 1.00 14.55 O ATOM 1028 CG2 THR A 114 7.060 -28.596 -1.405 1.00 12.78 C ATOM 1029 HG1 THR A 114 7.844 -30.559 -2.891 1.00 0.00 H ATOM 1030 H THR A 114 8.068 -27.960 -5.352 1.00 0.00 H ATOM 1031 N VAL A 115 5.900 -25.541 -2.635 1.00 10.17 N ATOM 1032 CA VAL A 115 5.976 -24.180 -2.101 1.00 9.51 C ATOM 1033 C VAL A 115 5.560 -24.149 -0.645 1.00 11.72 C ATOM 1034 O VAL A 115 4.948 -25.105 -0.132 1.00 12.30 O ATOM 1035 CB VAL A 115 5.076 -23.174 -2.885 1.00 9.98 C ATOM 1036 CG1 VAL A 115 5.407 -23.184 -4.379 1.00 11.11 C ATOM 1037 CG2 VAL A 115 3.593 -23.459 -2.654 1.00 9.92 C ATOM 1038 H VAL A 115 4.995 -26.051 -2.582 1.00 0.00 H ATOM 1039 N ASP A 116 5.900 -23.054 0.029 1.00 8.43 N ATOM 1040 CA ASP A 116 5.545 -22.896 1.426 1.00 8.45 C ATOM 1041 C ASP A 116 4.864 -21.546 1.612 1.00 9.27 C ATOM 1042 O ASP A 116 5.458 -20.490 1.321 1.00 12.83 O ATOM 1043 CB ASP A 116 6.803 -22.987 2.291 1.00 10.50 C ATOM 1044 CG ASP A 116 6.494 -23.178 3.771 1.00 12.67 C ATOM 1045 OD1 ASP A 116 5.369 -22.856 4.209 1.00 11.58 O ATOM 1046 OD2 ASP A 116 7.397 -23.644 4.501 1.00 13.88 O ATOM 1047 H ASP A 116 6.429 -22.299 -0.453 1.00 0.00 H ATOM 1048 N PHE A 117 3.624 -21.577 2.090 1.00 9.47 N ATOM 1049 CA PHE A 117 2.855 -20.348 2.309 1.00 9.71 C ATOM 1050 C PHE A 117 3.059 -19.737 3.705 1.00 11.12 C ATOM 1051 O PHE A 117 2.498 -18.675 4.017 1.00 13.18 O ATOM 1052 CB PHE A 117 1.363 -20.600 2.062 1.00 10.74 C ATOM 1053 CG PHE A 117 1.024 -20.904 0.629 1.00 9.95 C ATOM 1054 CD1 PHE A 117 1.051 -19.904 -0.334 1.00 9.01 C ATOM 1055 CD2 PHE A 117 0.642 -22.185 0.249 1.00 11.61 C ATOM 1056 CE1 PHE A 117 0.731 -20.176 -1.666 1.00 10.81 C ATOM 1057 CE2 PHE A 117 0.321 -22.466 -1.077 1.00 12.46 C ATOM 1058 CZ PHE A 117 0.360 -21.455 -2.033 1.00 11.71 C ATOM 1059 H PHE A 117 3.189 -22.495 2.314 1.00 0.00 H ATOM 1060 N ASN A 118 3.856 -20.390 4.546 1.00 9.65 N ATOM 1061 CA ASN A 118 4.125 -19.838 5.867 1.00 9.34 C ATOM 1062 C ASN A 118 4.988 -18.593 5.745 1.00 12.52 C ATOM 1063 O ASN A 118 5.808 -18.484 4.833 1.00 14.17 O ATOM 1064 CB ASN A 118 4.879 -20.842 6.747 1.00 10.29 C ATOM 1065 CG ASN A 118 3.982 -21.904 7.332 1.00 13.35 C ATOM 1066 OD1 ASN A 118 3.380 -21.716 8.387 1.00 12.21 O ATOM 1067 ND2 ASN A 118 3.908 -23.046 6.660 1.00 14.37 N ATOM 1068 HD22 ASN A 118 4.435 -23.161 5.771 1.00 0.00 H ATOM 1069 HD21 ASN A 118 3.323 -23.826 7.023 1.00 0.00 H ATOM 1070 H ASN A 118 4.286 -21.293 4.261 1.00 0.00 H ATOM 1071 N HIS A 119 4.835 -17.671 6.687 1.00 12.43 N ATOM 1072 CA HIS A 119 5.787 -16.577 6.787 1.00 13.38 C ATOM 1073 C HIS A 119 7.164 -17.193 6.971 1.00 13.25 C ATOM 1074 O HIS A 119 7.285 -18.211 7.648 1.00 13.36 O ATOM 1075 CB HIS A 119 5.443 -15.696 7.981 1.00 16.37 C ATOM 1076 CG HIS A 119 6.283 -14.464 8.069 1.00 19.12 C ATOM 1077 ND1 HIS A 119 7.538 -14.460 8.645 1.00 20.29 N ATOM 1078 CD2 HIS A 119 6.061 -13.198 7.642 1.00 22.34 C ATOM 1079 CE1 HIS A 119 8.047 -13.243 8.574 1.00 22.99 C ATOM 1080 NE2 HIS A 119 7.170 -12.457 7.972 1.00 24.05 N ATOM 1081 H HIS A 119 4.037 -17.731 7.351 1.00 0.00 H ATOM 1082 N PRO A 120 8.203 -16.599 6.352 1.00 13.28 N ATOM 1083 CA PRO A 120 9.557 -17.160 6.435 1.00 14.03 C ATOM 1084 C PRO A 120 10.089 -17.316 7.862 1.00 12.74 C ATOM 1085 O PRO A 120 10.975 -18.148 8.066 1.00 14.73 O ATOM 1086 CB PRO A 120 10.398 -16.142 5.661 1.00 17.70 C ATOM 1087 CG PRO A 120 9.448 -15.587 4.668 1.00 19.35 C ATOM 1088 CD PRO A 120 8.141 -15.478 5.394 1.00 17.44 C ATOM 1089 N LEU A 121 9.569 -16.555 8.824 1.00 13.96 N ATOM 1090 CA LEU A 121 10.005 -16.727 10.209 1.00 11.25 C ATOM 1091 C LEU A 121 9.072 -17.578 11.067 1.00 11.06 C ATOM 1092 O LEU A 121 9.299 -17.717 12.261 1.00 12.98 O ATOM 1093 CB LEU A 121 10.245 -15.375 10.890 1.00 14.93 C ATOM 1094 CG LEU A 121 11.356 -14.519 10.282 1.00 16.05 C ATOM 1095 CD1 LEU A 121 11.515 -13.210 11.041 1.00 17.99 C ATOM 1096 CD2 LEU A 121 12.667 -15.283 10.241 1.00 17.03 C ATOM 1097 H LEU A 121 8.853 -15.838 8.590 1.00 0.00 H ATOM 1098 N ALA A 122 8.021 -18.143 10.470 1.00 11.62 N ATOM 1099 CA ALA A 122 7.193 -19.100 11.198 1.00 10.71 C ATOM 1100 C ALA A 122 8.041 -20.283 11.670 1.00 12.68 C ATOM 1101 O ALA A 122 8.857 -20.819 10.907 1.00 13.28 O ATOM 1102 CB ALA A 122 6.048 -19.584 10.321 1.00 13.35 C ATOM 1103 H ALA A 122 7.791 -17.901 9.485 1.00 0.00 H ATOM 1104 N GLY A 123 7.866 -20.673 12.933 1.00 10.76 N ATOM 1105 CA GLY A 123 8.600 -21.789 13.500 1.00 12.08 C ATOM 1106 C GLY A 123 9.992 -21.420 13.987 1.00 14.25 C ATOM 1107 O GLY A 123 10.686 -22.243 14.583 1.00 16.09 O ATOM 1108 H GLY A 123 7.184 -20.163 13.529 1.00 0.00 H ATOM 1109 N LYS A 124 10.416 -20.187 13.741 1.00 12.40 N ATOM 1110 CA LYS A 124 11.751 -19.774 14.167 1.00 15.04 C ATOM 1111 C LYS A 124 11.751 -18.949 15.451 1.00 14.27 C ATOM 1112 O LYS A 124 10.903 -18.074 15.647 1.00 12.89 O ATOM 1113 CB LYS A 124 12.473 -19.043 13.032 1.00 19.60 C ATOM 1114 CG LYS A 124 12.657 -19.956 11.823 1.00 24.48 C ATOM 1115 CD LYS A 124 13.411 -19.326 10.679 1.00 30.17 C ATOM 1116 CE LYS A 124 13.639 -20.358 9.577 1.00 30.54 C ATOM 1117 NZ LYS A 124 14.393 -21.548 10.081 1.00 32.36 N ATOM 1118 HZ1 LYS A 124 15.320 -21.243 10.441 1.00 0.00 H ATOM 1119 HZ2 LYS A 124 13.854 -22.000 10.847 1.00 0.00 H ATOM 1120 HZ3 LYS A 124 14.528 -22.226 9.304 1.00 0.00 H ATOM 1121 H LYS A 124 9.798 -19.514 13.245 1.00 0.00 H ATOM 1122 N ASP A 125 12.698 -19.249 16.336 1.00 11.89 N ATOM 1123 CA ASP A 125 12.900 -18.440 17.524 1.00 11.45 C ATOM 1124 C ASP A 125 13.713 -17.202 17.157 1.00 10.28 C ATOM 1125 O ASP A 125 14.591 -17.253 16.292 1.00 11.58 O ATOM 1126 CB ASP A 125 13.642 -19.238 18.595 1.00 13.00 C ATOM 1127 CG ASP A 125 12.897 -20.488 19.022 1.00 18.62 C ATOM 1128 OD1 ASP A 125 11.657 -20.547 18.882 1.00 16.87 O ATOM 1129 OD2 ASP A 125 13.568 -21.420 19.516 1.00 22.19 O ATOM 1130 H ASP A 125 13.304 -20.078 16.174 1.00 0.00 H ATOM 1131 N LEU A 126 13.420 -16.090 17.815 1.00 9.66 N ATOM 1132 CA LEU A 126 14.066 -14.823 17.492 1.00 11.78 C ATOM 1133 C LEU A 126 14.967 -14.390 18.655 1.00 12.78 C ATOM 1134 O LEU A 126 14.565 -14.462 19.815 1.00 13.83 O ATOM 1135 CB LEU A 126 13.000 -13.751 17.228 1.00 12.19 C ATOM 1136 CG LEU A 126 12.445 -13.597 15.805 1.00 16.72 C ATOM 1137 CD1 LEU A 126 12.041 -14.911 15.161 1.00 18.33 C ATOM 1138 CD2 LEU A 126 11.271 -12.607 15.786 1.00 15.59 C ATOM 1139 H LEU A 126 12.714 -16.121 18.578 1.00 0.00 H ATOM 1140 N ASP A 127 16.181 -13.939 18.349 1.00 10.58 N ATOM 1141 CA ASP A 127 17.089 -13.462 19.389 1.00 9.80 C ATOM 1142 C ASP A 127 17.357 -11.977 19.262 1.00 9.79 C ATOM 1143 O ASP A 127 17.855 -11.514 18.242 1.00 12.85 O ATOM 1144 CB ASP A 127 18.400 -14.234 19.321 1.00 10.05 C ATOM 1145 CG ASP A 127 18.228 -15.674 19.732 1.00 13.97 C ATOM 1146 OD1 ASP A 127 17.950 -15.909 20.936 1.00 14.43 O ATOM 1147 OD2 ASP A 127 18.365 -16.564 18.856 1.00 16.92 O ATOM 1148 H ASP A 127 16.488 -13.926 17.355 1.00 0.00 H ATOM 1149 N PHE A 128 17.031 -11.232 20.312 1.00 9.38 N ATOM 1150 CA PHE A 128 17.183 -9.782 20.304 1.00 9.90 C ATOM 1151 C PHE A 128 18.242 -9.291 21.284 1.00 11.07 C ATOM 1152 O PHE A 128 18.344 -9.792 22.407 1.00 12.76 O ATOM 1153 CB PHE A 128 15.871 -9.108 20.717 1.00 11.45 C ATOM 1154 CG PHE A 128 14.774 -9.188 19.701 1.00 10.62 C ATOM 1155 CD1 PHE A 128 14.634 -8.195 18.738 1.00 11.53 C ATOM 1156 CD2 PHE A 128 13.848 -10.226 19.739 1.00 11.04 C ATOM 1157 CE1 PHE A 128 13.602 -8.252 17.822 1.00 11.62 C ATOM 1158 CE2 PHE A 128 12.820 -10.286 18.831 1.00 11.65 C ATOM 1159 CZ PHE A 128 12.699 -9.308 17.874 1.00 10.50 C ATOM 1160 H PHE A 128 16.657 -11.696 21.164 1.00 0.00 H ATOM 1161 N GLN A 129 19.040 -8.322 20.843 1.00 10.12 N ATOM 1162 CA GLN A 129 19.816 -7.503 21.767 1.00 10.46 C ATOM 1163 C GLN A 129 19.121 -6.152 21.800 1.00 11.16 C ATOM 1164 O GLN A 129 18.891 -5.537 20.768 1.00 11.66 O ATOM 1165 CB GLN A 129 21.280 -7.354 21.326 1.00 11.50 C ATOM 1166 CG GLN A 129 22.102 -6.346 22.156 1.00 12.25 C ATOM 1167 CD GLN A 129 22.237 -6.719 23.634 1.00 12.81 C ATOM 1168 OE1 GLN A 129 22.454 -7.881 23.980 1.00 13.81 O ATOM 1169 NE2 GLN A 129 22.108 -5.724 24.510 1.00 12.09 N ATOM 1170 HE22 GLN A 129 21.925 -4.757 24.175 1.00 0.00 H ATOM 1171 HE21 GLN A 129 22.190 -5.914 25.529 1.00 0.00 H ATOM 1172 H GLN A 129 19.112 -8.145 19.821 1.00 0.00 H ATOM 1173 N VAL A 130 18.755 -5.700 22.995 1.00 10.05 N ATOM 1174 CA VAL A 130 17.927 -4.498 23.109 1.00 9.47 C ATOM 1175 C VAL A 130 18.508 -3.489 24.086 1.00 10.48 C ATOM 1176 O VAL A 130 19.057 -3.874 25.118 1.00 11.04 O ATOM 1177 CB VAL A 130 16.513 -4.865 23.602 1.00 9.57 C ATOM 1178 CG1 VAL A 130 15.606 -3.638 23.584 1.00 11.10 C ATOM 1179 CG2 VAL A 130 15.903 -5.984 22.749 1.00 11.41 C ATOM 1180 H VAL A 130 19.058 -6.203 23.853 1.00 0.00 H ATOM 1181 N GLU A 131 18.408 -2.201 23.750 1.00 10.31 N ATOM 1182 CA GLU A 131 18.699 -1.128 24.697 1.00 11.03 C ATOM 1183 C GLU A 131 17.474 -0.233 24.805 1.00 12.88 C ATOM 1184 O GLU A 131 16.943 0.221 23.790 1.00 11.73 O ATOM 1185 CB GLU A 131 19.887 -0.275 24.235 1.00 13.05 C ATOM 1186 CG GLU A 131 21.227 -1.023 24.185 1.00 18.24 C ATOM 1187 CD GLU A 131 21.358 -1.935 22.968 1.00 28.99 C ATOM 1188 OE1 GLU A 131 20.967 -1.511 21.861 1.00 33.57 O ATOM 1189 OE2 GLU A 131 21.846 -3.078 23.116 1.00 30.02 O ATOM 1190 H GLU A 131 18.114 -1.954 22.784 1.00 0.00 H ATOM 1191 N VAL A 132 17.020 0.014 26.031 1.00 9.38 N ATOM 1192 CA VAL A 132 15.898 0.917 26.257 1.00 8.71 C ATOM 1193 C VAL A 132 16.451 2.336 26.319 1.00 10.04 C ATOM 1194 O VAL A 132 17.084 2.726 27.300 1.00 12.14 O ATOM 1195 CB VAL A 132 15.126 0.559 27.554 1.00 9.49 C ATOM 1196 CG1 VAL A 132 13.947 1.496 27.746 1.00 10.56 C ATOM 1197 CG2 VAL A 132 14.644 -0.886 27.508 1.00 11.35 C ATOM 1198 H VAL A 132 17.475 -0.447 26.845 1.00 0.00 H ATOM 1199 N VAL A 133 16.236 3.095 25.252 1.00 8.40 N ATOM 1200 CA VAL A 133 16.818 4.427 25.147 1.00 11.70 C ATOM 1201 C VAL A 133 16.058 5.435 26.005 1.00 13.02 C ATOM 1202 O VAL A 133 16.671 6.213 26.747 1.00 14.95 O ATOM 1203 CB VAL A 133 16.863 4.899 23.682 1.00 11.75 C ATOM 1204 CG1 VAL A 133 17.425 6.321 23.594 1.00 13.82 C ATOM 1205 CG2 VAL A 133 17.675 3.937 22.843 1.00 13.56 C ATOM 1206 H VAL A 133 15.643 2.734 24.478 1.00 0.00 H ATOM 1207 N LYS A 134 14.726 5.411 25.920 1.00 10.53 N ATOM 1208 CA LYS A 134 13.905 6.411 26.590 1.00 11.90 C ATOM 1209 C LYS A 134 12.539 5.839 26.927 1.00 8.81 C ATOM 1210 O LYS A 134 12.007 5.026 26.177 1.00 9.19 O ATOM 1211 CB LYS A 134 13.738 7.626 25.674 1.00 15.64 C ATOM 1212 CG LYS A 134 12.878 8.752 26.233 1.00 19.07 C ATOM 1213 CD LYS A 134 12.796 9.888 25.225 1.00 22.73 C ATOM 1214 CE LYS A 134 12.043 11.092 25.769 1.00 26.46 C ATOM 1215 NZ LYS A 134 11.951 12.140 24.709 1.00 27.52 N ATOM 1216 HZ1 LYS A 134 12.909 12.428 24.424 1.00 0.00 H ATOM 1217 HZ2 LYS A 134 11.444 11.756 23.886 1.00 0.00 H ATOM 1218 HZ3 LYS A 134 11.436 12.963 25.081 1.00 0.00 H ATOM 1219 H LYS A 134 14.265 4.663 25.364 1.00 0.00 H ATOM 1220 N VAL A 135 11.988 6.245 28.068 1.00 9.73 N ATOM 1221 CA VAL A 135 10.605 5.913 28.421 1.00 10.26 C ATOM 1222 C VAL A 135 9.920 7.206 28.840 1.00 11.62 C ATOM 1223 O VAL A 135 10.465 7.958 29.657 1.00 13.42 O ATOM 1224 CB VAL A 135 10.532 4.904 29.600 1.00 11.27 C ATOM 1225 CG1 VAL A 135 9.082 4.547 29.925 1.00 10.46 C ATOM 1226 CG2 VAL A 135 11.314 3.633 29.287 1.00 10.86 C ATOM 1227 H VAL A 135 12.555 6.814 28.728 1.00 0.00 H ATOM 1228 N ARG A 136 8.723 7.470 28.308 1.00 8.96 N ATOM 1229 CA ARG A 136 7.970 8.650 28.708 1.00 10.86 C ATOM 1230 C ARG A 136 6.484 8.357 28.697 1.00 11.56 C ATOM 1231 O ARG A 136 6.053 7.330 28.149 1.00 10.13 O ATOM 1232 CB ARG A 136 8.243 9.823 27.768 1.00 12.97 C ATOM 1233 CG ARG A 136 7.731 9.615 26.354 1.00 11.66 C ATOM 1234 CD ARG A 136 7.667 10.943 25.590 1.00 12.15 C ATOM 1235 NE ARG A 136 7.471 10.754 24.153 1.00 15.18 N ATOM 1236 CZ ARG A 136 6.282 10.635 23.573 1.00 12.51 C ATOM 1237 NH1 ARG A 136 5.181 10.658 24.320 1.00 12.57 N ATOM 1238 NH2 ARG A 136 6.189 10.466 22.258 1.00 13.50 N ATOM 1239 HE ARG A 136 8.315 10.710 23.547 1.00 0.00 H ATOM 1240 HH12 ARG A 136 4.247 10.565 23.872 1.00 0.00 H ATOM 1241 HH11 ARG A 136 5.255 10.769 25.351 1.00 0.00 H ATOM 1242 HH22 ARG A 136 5.255 10.374 21.810 1.00 0.00 H ATOM 1243 HH21 ARG A 136 7.050 10.426 21.677 1.00 0.00 H ATOM 1244 H ARG A 136 8.324 6.823 27.598 1.00 0.00 H ATOM 1245 N GLU A 137 5.697 9.261 29.278 1.00 10.92 N ATOM 1246 CA GLU A 137 4.250 9.103 29.209 1.00 10.37 C ATOM 1247 C GLU A 137 3.726 9.494 27.835 1.00 10.57 C ATOM 1248 O GLU A 137 4.308 10.327 27.136 1.00 12.07 O ATOM 1249 CB GLU A 137 3.547 9.934 30.285 1.00 13.07 C ATOM 1250 CG GLU A 137 4.023 9.676 31.706 1.00 15.71 C ATOM 1251 CD GLU A 137 3.465 8.406 32.321 1.00 21.55 C ATOM 1252 OE1 GLU A 137 2.729 7.667 31.638 1.00 23.92 O ATOM 1253 OE2 GLU A 137 3.761 8.140 33.508 1.00 26.78 O ATOM 1254 H GLU A 137 6.112 10.074 29.777 1.00 0.00 H ATOM 1255 N ALA A 138 2.612 8.877 27.452 1.00 10.31 N ATOM 1256 CA ALA A 138 1.953 9.180 26.188 1.00 10.26 C ATOM 1257 C ALA A 138 1.127 10.461 26.288 1.00 7.86 C ATOM 1258 O ALA A 138 0.572 10.768 27.349 1.00 10.57 O ATOM 1259 CB ALA A 138 1.042 8.027 25.812 1.00 11.41 C ATOM 1260 H ALA A 138 2.198 8.155 28.075 1.00 0.00 H ATOM 1261 N THR A 139 1.008 11.183 25.175 1.00 8.43 N ATOM 1262 CA THR A 139 0.079 12.307 25.104 1.00 8.36 C ATOM 1263 C THR A 139 -1.330 11.734 24.971 1.00 7.83 C ATOM 1264 O THR A 139 -1.503 10.577 24.580 1.00 10.47 O ATOM 1265 CB THR A 139 0.340 13.208 23.889 1.00 11.12 C ATOM 1266 OG1 THR A 139 0.056 12.479 22.694 1.00 11.83 O ATOM 1267 CG2 THR A 139 1.801 13.701 23.865 1.00 13.85 C ATOM 1268 HG1 THR A 139 0.223 13.058 21.908 1.00 0.00 H ATOM 1269 H THR A 139 1.585 10.942 24.344 1.00 0.00 H ATOM 1270 N PRO A 140 -2.351 12.547 25.283 1.00 8.67 N ATOM 1271 CA PRO A 140 -3.716 12.068 25.078 1.00 8.14 C ATOM 1272 C PRO A 140 -3.968 11.621 23.638 1.00 9.73 C ATOM 1273 O PRO A 140 -4.704 10.654 23.426 1.00 10.99 O ATOM 1274 CB PRO A 140 -4.559 13.304 25.403 1.00 9.37 C ATOM 1275 CG PRO A 140 -3.722 14.045 26.428 1.00 9.15 C ATOM 1276 CD PRO A 140 -2.312 13.872 25.933 1.00 8.51 C ATOM 1277 N GLU A 141 -3.385 12.311 22.664 1.00 8.77 N ATOM 1278 CA GLU A 141 -3.582 11.941 21.265 1.00 10.93 C ATOM 1279 C GLU A 141 -2.950 10.577 20.964 1.00 9.96 C ATOM 1280 O GLU A 141 -3.551 9.760 20.269 1.00 10.57 O ATOM 1281 CB GLU A 141 -3.039 13.012 20.308 1.00 13.19 C ATOM 1282 CG GLU A 141 -3.353 12.675 18.857 1.00 20.25 C ATOM 1283 CD GLU A 141 -2.754 13.637 17.848 1.00 27.55 C ATOM 1284 OE1 GLU A 141 -1.908 14.470 18.232 1.00 28.65 O ATOM 1285 OE2 GLU A 141 -3.135 13.543 16.659 1.00 31.82 O ATOM 1286 H GLU A 141 -2.781 13.124 22.900 1.00 0.00 H ATOM 1287 N GLU A 142 -1.748 10.331 21.492 1.00 9.45 N ATOM 1288 CA GLU A 142 -1.126 9.006 21.343 1.00 10.73 C ATOM 1289 C GLU A 142 -1.979 7.898 21.952 1.00 11.14 C ATOM 1290 O GLU A 142 -2.105 6.808 21.388 1.00 10.30 O ATOM 1291 CB GLU A 142 0.296 8.989 21.926 1.00 10.05 C ATOM 1292 CG GLU A 142 1.283 9.795 21.109 1.00 12.35 C ATOM 1293 CD GLU A 142 2.621 9.927 21.779 1.00 12.93 C ATOM 1294 OE1 GLU A 142 2.650 10.212 22.986 1.00 13.18 O ATOM 1295 OE2 GLU A 142 3.656 9.743 21.101 1.00 16.63 O ATOM 1296 H GLU A 142 -1.249 11.081 22.012 1.00 0.00 H ATOM 1297 N LEU A 143 -2.571 8.174 23.108 1.00 9.70 N ATOM 1298 CA LEU A 143 -3.414 7.182 23.755 1.00 10.84 C ATOM 1299 C LEU A 143 -4.657 6.920 22.908 1.00 11.42 C ATOM 1300 O LEU A 143 -5.092 5.777 22.755 1.00 11.98 O ATOM 1301 CB LEU A 143 -3.807 7.661 25.153 1.00 12.81 C ATOM 1302 CG LEU A 143 -4.176 6.573 26.140 1.00 17.63 C ATOM 1303 CD1 LEU A 143 -3.054 5.548 26.197 1.00 19.45 C ATOM 1304 CD2 LEU A 143 -4.408 7.193 27.506 1.00 17.04 C ATOM 1305 H LEU A 143 -2.431 9.104 23.552 1.00 0.00 H ATOM 1306 N LEU A 144 -5.218 7.989 22.350 1.00 9.15 N ATOM 1307 CA LEU A 144 -6.390 7.887 21.494 1.00 9.26 C ATOM 1308 C LEU A 144 -6.144 7.021 20.260 1.00 9.14 C ATOM 1309 O LEU A 144 -6.984 6.184 19.907 1.00 9.95 O ATOM 1310 CB LEU A 144 -6.851 9.283 21.061 1.00 9.23 C ATOM 1311 CG LEU A 144 -8.060 9.360 20.129 1.00 12.06 C ATOM 1312 CD1 LEU A 144 -9.302 8.807 20.832 1.00 11.32 C ATOM 1313 CD2 LEU A 144 -8.287 10.805 19.664 1.00 12.25 C ATOM 1314 H LEU A 144 -4.806 8.927 22.531 1.00 0.00 H ATOM 1315 N HIS A 145 -4.995 7.220 19.615 1.00 8.71 N ATOM 1316 CA HIS A 145 -4.646 6.468 18.405 1.00 8.81 C ATOM 1317 C HIS A 145 -4.058 5.079 18.704 1.00 11.38 C ATOM 1318 O HIS A 145 -4.061 4.199 17.847 1.00 14.92 O ATOM 1319 CB HIS A 145 -3.636 7.254 17.560 1.00 11.17 C ATOM 1320 CG HIS A 145 -4.153 8.560 17.044 1.00 15.85 C ATOM 1321 ND1 HIS A 145 -5.452 8.733 16.620 1.00 19.34 N ATOM 1322 CD2 HIS A 145 -3.540 9.755 16.879 1.00 18.15 C ATOM 1323 CE1 HIS A 145 -5.621 9.983 16.227 1.00 19.41 C ATOM 1324 NE2 HIS A 145 -4.476 10.624 16.377 1.00 19.48 N ATOM 1325 H HIS A 145 -4.327 7.929 19.980 1.00 0.00 H ATOM 1326 N GLY A 146 -3.526 4.898 19.911 1.00 9.24 N ATOM 1327 CA GLY A 146 -2.890 3.651 20.287 1.00 10.91 C ATOM 1328 C GLY A 146 -1.502 3.482 19.693 1.00 10.39 C ATOM 1329 O GLY A 146 -1.009 2.358 19.581 1.00 11.11 O ATOM 1330 H GLY A 146 -3.568 5.673 20.603 1.00 0.00 H ATOM 1331 N HIS A 147 -0.864 4.591 19.317 1.00 10.75 N ATOM 1332 CA HIS A 147 0.445 4.545 18.664 1.00 10.21 C ATOM 1333 C HIS A 147 1.284 5.746 19.062 1.00 9.97 C ATOM 1334 O HIS A 147 0.748 6.806 19.338 1.00 13.43 O ATOM 1335 CB HIS A 147 0.282 4.532 17.140 1.00 10.65 C ATOM 1336 CG HIS A 147 -0.420 3.316 16.616 1.00 11.31 C ATOM 1337 ND1 HIS A 147 0.244 2.155 16.289 1.00 13.30 N ATOM 1338 CD2 HIS A 147 -1.729 3.082 16.360 1.00 12.38 C ATOM 1339 CE1 HIS A 147 -0.622 1.254 15.863 1.00 13.34 C ATOM 1340 NE2 HIS A 147 -1.829 1.788 15.905 1.00 15.26 N ATOM 1341 H HIS A 147 -1.309 5.514 19.493 1.00 0.00 H ATOM 1342 N ALA A 148 2.607 5.583 19.099 1.00 9.39 N ATOM 1343 CA ALA A 148 3.481 6.723 19.369 1.00 10.50 C ATOM 1344 C ALA A 148 3.462 7.626 18.148 1.00 11.80 C ATOM 1345 O ALA A 148 3.293 7.148 17.022 1.00 13.44 O ATOM 1346 CB ALA A 148 4.895 6.240 19.627 1.00 11.51 C ATOM 1347 H ALA A 148 3.018 4.642 18.935 1.00 0.00 H ATOM 1348 N HIS A 149 3.647 8.929 18.336 1.00 13.67 N ATOM 1349 CA HIS A 149 3.610 9.787 17.167 1.00 17.90 C ATOM 1350 C HIS A 149 4.907 9.620 16.382 1.00 20.67 C ATOM 1351 O HIS A 149 5.932 9.243 16.944 1.00 22.28 O ATOM 1352 CB HIS A 149 3.290 11.247 17.520 1.00 26.25 C ATOM 1353 CG HIS A 149 4.113 11.814 18.634 1.00 33.92 C ATOM 1354 ND1 HIS A 149 3.570 12.607 19.620 1.00 38.52 N ATOM 1355 CD2 HIS A 149 5.440 11.737 18.898 1.00 37.78 C ATOM 1356 CE1 HIS A 149 4.523 12.982 20.458 1.00 39.57 C ATOM 1357 NE2 HIS A 149 5.666 12.470 20.040 1.00 39.67 N ATOM 1358 H HIS A 149 3.812 9.319 19.286 1.00 0.00 H ATOM 1359 N PRO A 150 4.853 9.838 15.067 1.00 25.12 N ATOM 1360 CA PRO A 150 6.086 9.671 14.299 1.00 27.98 C ATOM 1361 C PRO A 150 7.060 10.805 14.581 1.00 30.99 C ATOM 1362 O PRO A 150 8.194 10.487 14.941 1.00 35.57 O ATOM 1363 CB PRO A 150 5.599 9.720 12.852 1.00 28.42 C ATOM 1364 CG PRO A 150 4.334 10.512 12.912 1.00 28.62 C ATOM 1365 CD PRO A 150 3.695 10.154 14.213 1.00 27.94 C TER 1366 PRO A 150 HETATM 1367 NA NA A 1 2.935 1.221 19.367 1.00 36.09 NA HETATM 1368 O HOH 2 2.199 -2.015 21.827 1.00 8.68 O HETATM 1369 O HOH 3 8.893 -16.462 14.656 1.00 12.03 O HETATM 1370 O HOH 4 0.971 -5.292 23.639 1.00 12.57 O HETATM 1371 O HOH 5 19.559 -18.776 19.613 1.00 18.47 O HETATM 1372 O HOH 6 6.683 -24.747 14.306 1.00 17.89 O HETATM 1373 O HOH 7 2.244 -2.509 32.883 1.00 16.53 O HETATM 1374 O HOH 8 1.315 -4.933 30.337 1.00 16.13 O HETATM 1375 O HOH 9 18.948 -14.171 22.874 1.00 16.33 O HETATM 1376 O HOH 10 1.259 -16.827 2.388 1.00 15.28 O HETATM 1377 O HOH 11 -1.567 -8.206 23.813 1.00 22.39 O HETATM 1378 O HOH 12 1.690 -8.069 20.311 1.00 13.18 O HETATM 1379 O HOH 13 1.398 7.169 29.460 1.00 13.62 O HETATM 1380 O HOH 14 17.263 -17.852 16.673 1.00 16.12 O HETATM 1381 O HOH 15 -2.820 5.539 30.802 1.00 23.30 O HETATM 1382 O HOH 16 7.403 -21.691 20.221 1.00 16.25 O HETATM 1383 O HOH 17 6.855 11.544 30.736 1.00 20.94 O HETATM 1384 O HOH 18 0.002 -30.609 -2.301 1.00 16.31 O HETATM 1385 O HOH 19 1.369 -7.885 23.154 1.00 15.90 O HETATM 1386 O HOH 20 19.350 5.586 27.611 1.00 14.01 O HETATM 1387 O HOH 21 1.246 -1.138 15.099 1.00 19.31 O HETATM 1388 O HOH 22 20.398 -16.239 16.844 1.00 13.08 O HETATM 1389 O HOH 23 9.853 9.665 22.694 1.00 25.91 O HETATM 1390 O HOH 24 9.886 -22.503 19.667 1.00 24.21 O HETATM 1391 O HOH 25 21.465 0.999 27.195 1.00 21.54 O HETATM 1392 O HOH 26 3.452 -27.662 -14.768 1.00 22.19 O HETATM 1393 O HOH 27 5.699 -27.769 10.380 1.00 21.73 O HETATM 1394 O HOH 28 2.904 -9.170 24.937 1.00 17.07 O HETATM 1395 O HOH 29 16.725 5.007 34.417 1.00 16.33 O HETATM 1396 O HOH 30 -0.596 -18.306 -12.088 1.00 20.87 O HETATM 1397 O HOH 31 -5.637 3.486 23.893 1.00 16.17 O HETATM 1398 O HOH 32 5.542 -21.183 -16.068 1.00 26.13 O HETATM 1399 O HOH 33 -0.207 8.895 17.645 1.00 16.35 O HETATM 1400 O HOH 34 10.243 7.273 24.237 1.00 13.90 O HETATM 1401 O HOH 35 -3.997 8.313 13.314 1.00 25.57 O HETATM 1402 O HOH 36 15.200 -14.684 27.091 1.00 25.20 O HETATM 1403 O HOH 37 7.523 -19.180 2.840 1.00 18.89 O HETATM 1404 O HOH 38 -9.164 5.029 20.870 1.00 21.16 O HETATM 1405 O HOH 39 1.541 -18.186 17.992 1.00 25.20 O HETATM 1406 O HOH 40 2.850 -20.071 -18.665 1.00 25.82 O HETATM 1407 O HOH 41 16.418 2.612 12.677 1.00 30.68 O HETATM 1408 O HOH 42 0.841 13.431 20.092 1.00 22.13 O HETATM 1409 O HOH 43 21.589 -2.778 31.671 1.00 22.59 O HETATM 1410 O HOH 44 20.114 -20.120 17.534 1.00 31.22 O HETATM 1411 O HOH 45 19.701 -10.169 29.426 1.00 20.15 O HETATM 1412 O HOH 46 8.307 -20.594 7.294 1.00 27.57 O HETATM 1413 O HOH 47 -4.255 0.496 27.732 1.00 22.71 O HETATM 1414 O HOH 48 8.519 -20.323 -15.147 1.00 28.02 O HETATM 1415 O HOH 49 6.993 -33.832 -13.488 1.00 37.93 O HETATM 1416 O HOH 50 -1.838 9.454 28.030 1.00 23.12 O HETATM 1417 O HOH 51 14.974 -21.008 15.360 1.00 22.14 O HETATM 1418 O HOH 52 24.884 -12.037 10.605 1.00 25.77 O HETATM 1419 O HOH 53 2.608 -19.052 11.979 1.00 25.14 O HETATM 1420 O HOH 54 17.032 7.711 33.404 1.00 25.40 O HETATM 1421 O HOH 55 3.331 -26.539 13.895 1.00 29.47 O HETATM 1422 O HOH 56 6.785 -33.181 -5.970 1.00 35.61 O HETATM 1423 O HOH 57 18.403 8.162 31.136 1.00 21.48 O HETATM 1424 O HOH 58 5.698 -22.865 18.345 1.00 34.64 O HETATM 1425 O HOH 59 6.237 -1.571 34.712 1.00 28.45 O HETATM 1426 O HOH 60 9.532 -25.436 3.848 1.00 28.20 O HETATM 1427 O HOH 61 9.147 -10.913 1.548 1.00 26.62 O HETATM 1428 O HOH 62 13.095 -16.073 -8.629 1.00 31.57 O HETATM 1429 O HOH 63 13.117 -21.368 -13.606 1.00 29.76 O HETATM 1430 O HOH 64 20.600 -10.418 18.490 1.00 23.02 O HETATM 1431 O HOH 65 -2.279 6.313 14.473 1.00 28.12 O HETATM 1432 O HOH 66 2.697 -14.107 17.901 1.00 39.07 O HETATM 1433 O HOH 67 8.146 -16.092 29.023 1.00 25.96 O HETATM 1434 O HOH 68 16.201 -21.661 19.532 1.00 33.88 O HETATM 1435 O HOH 69 5.900 -19.586 24.226 1.00 26.65 O HETATM 1436 O HOH 70 9.623 4.631 15.449 1.00 31.82 O HETATM 1437 O HOH 71 -7.151 -9.415 -9.562 1.00 38.77 O HETATM 1438 O HOH 72 5.605 2.148 33.855 1.00 32.79 O HETATM 1439 O HOH 73 -2.131 -4.693 26.923 1.00 29.52 O HETATM 1440 O HOH 74 9.909 -12.589 26.447 1.00 29.18 O HETATM 1441 O HOH 75 -7.794 -9.557 -4.644 1.00 29.62 O HETATM 1442 O HOH 76 14.412 -11.083 28.143 1.00 29.26 O HETATM 1443 O HOH 77 -0.013 11.672 18.054 1.00 26.36 O HETATM 1444 O HOH 78 9.298 -12.664 -7.225 1.00 25.87 O HETATM 1445 O HOH 79 -4.450 -2.279 18.345 1.00 30.15 O HETATM 1446 O HOH 80 14.530 -25.182 0.145 1.00 40.19 O HETATM 1447 O HOH 81 14.956 -28.183 -2.516 1.00 35.69 O HETATM 1448 O HOH 82 13.875 -17.073 0.598 1.00 30.12 O HETATM 1449 O HOH 83 13.208 -19.102 6.603 1.00 37.37 O HETATM 1450 O HOH 84 -1.906 -1.614 17.973 1.00 15.22 O HETATM 1451 O HOH 85 7.360 6.342 16.486 1.00 30.96 O HETATM 1452 O HOH 86 -5.049 -3.684 27.435 1.00 30.96 O HETATM 1453 O HOH 87 0.968 -9.142 17.842 1.00 29.04 O HETATM 1454 O HOH 88 10.352 -12.156 29.263 1.00 28.11 O HETATM 1455 O HOH 89 8.727 -17.698 -22.228 1.00 29.30 O HETATM 1456 O HOH 90 -1.699 3.852 13.217 1.00 31.23 O HETATM 1457 O HOH 91 12.070 7.935 32.051 1.00 24.50 O HETATM 1458 O HOH 92 5.132 12.940 27.765 1.00 34.52 O HETATM 1459 O HOH 93 2.170 1.902 32.865 1.00 32.32 O HETATM 1460 O HOH 94 1.626 4.609 31.439 1.00 28.69 O HETATM 1461 O HOH 95 19.403 -6.188 32.467 1.00 34.22 O HETATM 1462 O HOH 96 3.117 -23.257 19.049 1.00 30.33 O HETATM 1463 O HOH 97 9.343 -28.325 3.376 1.00 42.72 O HETATM 1464 O HOH 98 14.148 -22.102 22.679 1.00 37.84 O HETATM 1465 O HOH 99 9.054 -16.949 26.586 1.00 38.33 O HETATM 1466 O HOH 100 24.117 -6.132 26.963 1.00 36.54 O HETATM 1467 O HOH 101 6.564 -21.902 22.843 1.00 25.58 O HETATM 1468 O HOH 102 7.577 14.007 28.071 1.00 44.47 O HETATM 1469 O HOH 103 16.979 -20.627 17.345 1.00 35.97 O HETATM 1470 O HOH 104 11.781 -13.598 25.867 1.00 44.06 O HETATM 1471 O HOH 105 -1.330 -24.105 -14.576 1.00 27.47 O HETATM 1472 O HOH 106 12.949 -17.544 26.121 1.00 39.94 O HETATM 1473 O HOH 107 7.041 -32.444 -2.582 1.00 30.10 O HETATM 1474 O HOH 108 13.300 8.987 21.311 1.00 36.08 O HETATM 1475 O HOH 109 11.998 3.532 37.860 1.00 27.01 O HETATM 1476 O HOH 110 14.669 -28.239 -6.466 1.00 36.16 O HETATM 1477 O HOH 111 7.426 -23.641 16.447 1.00 31.68 O HETATM 1478 O HOH 112 18.179 -22.110 -5.248 1.00 37.81 O HETATM 1479 O HOH 113 13.237 -31.058 -11.951 1.00 36.01 O HETATM 1480 O HOH 114 21.378 -3.251 19.873 1.00 30.79 O HETATM 1481 O HOH 115 13.187 -14.166 -4.024 1.00 29.95 O HETATM 1482 O HOH 116 2.710 -25.445 17.786 1.00 36.34 O HETATM 1483 O HOH 117 11.927 10.409 29.049 1.00 34.85 O HETATM 1484 O HOH 118 -4.990 -14.101 2.740 1.00 37.73 O HETATM 1485 O HOH 119 -9.004 -20.693 -3.518 1.00 39.62 O HETATM 1486 O HOH 120 7.080 -19.311 26.451 1.00 35.42 O HETATM 1487 O HOH 121 11.676 -17.310 2.259 1.00 34.29 O HETATM 1488 O HOH 122 9.524 -20.487 4.070 1.00 28.74 O HETATM 1489 O HOH 123 2.734 -0.836 34.784 1.00 38.45 O HETATM 1490 O HOH 124 9.501 -14.359 25.258 1.00 33.10 O HETATM 1491 O HOH 125 11.370 -10.001 -17.477 1.00 31.74 O HETATM 1492 O HOH 126 -1.147 16.179 20.419 1.00 36.21 O HETATM 1493 O HOH 127 11.901 8.440 36.098 1.00 39.10 O HETATM 1494 O HOH 128 1.636 -15.124 20.063 1.00 34.74 O HETATM 1495 O HOH 129 -3.348 -28.857 -2.515 1.00 27.95 O HETATM 1496 O HOH 130 -6.199 -8.600 -7.036 1.00 18.11 O HETATM 1497 O HOH 131 -1.131 7.798 30.096 1.00 16.40 O HETATM 1498 O HOH 132 27.086 -14.328 9.046 1.00 49.18 O HETATM 1499 O HOH 133 11.910 -19.307 3.798 1.00 29.69 O HETATM 1500 O HOH 134 24.335 -9.718 23.186 1.00 32.92 O HETATM 1501 O HOH 135 5.415 -4.320 35.038 1.00 33.22 O HETATM 1502 O HOH 136 20.301 3.112 26.367 1.00 28.99 O HETATM 1503 O HOH 137 0.857 -11.673 17.138 1.00 30.00 O HETATM 1504 O HOH 138 -2.105 -5.734 24.816 1.00 44.80 O HETATM 1505 O HOH 139 10.992 -7.647 -17.230 1.00 29.77 O HETATM 1506 O HOH 140 21.095 6.297 25.598 1.00 32.22 O HETATM 1507 O HOH 141 10.124 10.517 30.825 1.00 38.46 O HETATM 1508 O HOH 142 2.206 7.056 14.710 1.00 29.66 O HETATM 1509 O HOH 143 13.419 -24.049 -12.602 1.00 42.87 O HETATM 1510 O HOH 144 1.599 -28.668 -15.413 1.00 35.35 O HETATM 1511 O HOH 145 21.218 3.237 23.417 1.00 38.29 O HETATM 1512 O HOH 146 18.619 -17.295 9.684 1.00 38.67 O HETATM 1513 O HOH 147 9.889 -23.730 16.847 1.00 43.83 O HETATM 1514 O HOH 148 2.873 -15.685 10.769 1.00 32.45 O HETATM 1515 O HOH 149 11.281 -14.202 -7.206 1.00 41.07 O HETATM 1516 O HOH 150 24.006 0.464 26.742 1.00 36.88 O HETATM 1517 O HOH 151 12.938 -14.484 -11.218 1.00 38.06 O HETATM 1518 O HOH 152 15.102 -14.956 -2.050 1.00 45.07 O HETATM 1519 O HOH 153 -0.010 7.977 15.103 1.00 31.72 O HETATM 1520 O HOH 154 17.796 8.268 20.090 1.00 37.62 O HETATM 1521 O HOH 155 5.032 13.208 31.877 1.00 37.88 O HETATM 1522 O HOH 156 16.997 -18.687 -4.113 1.00 37.71 O HETATM 1523 O HOH 157 16.020 -17.250 8.879 1.00 37.13 O HETATM 1524 O HOH 158 10.463 -20.797 8.660 1.00 38.24 O HETATM 1525 O HOH 159 11.534 -10.977 -1.700 1.00 40.22 O HETATM 1526 O HOH 160 14.601 6.749 16.601 1.00 41.80 O HETATM 1527 O HOH 161 23.522 -4.556 19.861 1.00 42.22 O HETATM 1528 O HOH 162 22.979 -10.336 30.815 1.00 41.47 O HETATM 1529 O HOH 163 10.365 -4.540 36.752 1.00 39.01 O HETATM 1530 O HOH 164 10.757 -28.542 -16.246 1.00 35.70 O HETATM 1531 O HOH 165 7.371 9.107 19.331 1.00 35.64 O HETATM 1532 O HOH 166 9.973 13.892 24.994 1.00 40.36 O HETATM 1533 O HOH 167 3.007 -10.533 12.839 1.00 32.71 O HETATM 1534 O HOH 168 -5.550 -11.712 -9.014 1.00 33.12 O HETATM 1535 O HOH 169 11.985 3.138 40.140 1.00 46.79 O HETATM 1536 O HOH 170 11.349 -28.133 -14.079 1.00 35.20 O HETATM 1537 O HOH 171 14.685 -1.740 9.769 1.00 37.94 O HETATM 1538 O HOH 172 -6.574 -5.779 28.198 1.00 36.57 O HETATM 1539 O HOH 173 3.373 -11.784 15.002 1.00 36.37 O HETATM 1540 O HOH 174 5.186 5.828 15.539 1.00 35.99 O HETATM 1541 O HOH 175 0.094 -18.507 13.635 1.00 44.73 O HETATM 1542 O HOH 176 -7.559 -20.205 0.139 1.00 40.99 O HETATM 1543 O HOH 177 8.567 -21.306 -17.268 1.00 45.99 O HETATM 1544 O HOH 178 -1.035 -14.012 20.109 1.00 43.24 O HETATM 1545 O HOH 179 8.665 -22.753 24.163 1.00 41.82 O HETATM 1546 O HOH 180 23.230 -7.960 29.729 1.00 41.67 O HETATM 1547 O HOH 181 12.342 6.750 17.476 1.00 34.57 O HETATM 1548 O HOH 182 -0.184 -19.910 19.252 1.00 40.62 O HETATM 1549 O HOH 183 20.933 5.500 22.390 1.00 40.49 O HETATM 1550 O HOH 184 8.514 -6.249 -17.409 1.00 38.50 O HETATM 1551 O HOH 185 19.704 -16.046 7.448 1.00 41.56 O HETATM 1552 O HOH 186 1.012 -25.642 13.382 1.00 33.07 O HETATM 1553 O HOH 187 9.603 -27.785 -18.185 1.00 45.44 O HETATM 1554 O HOH 188 8.336 3.811 36.540 1.00 31.29 O HETATM 1555 O HOH 189 9.455 3.294 38.528 1.00 51.24 O HETATM 1556 O HOH 190 -1.589 -29.199 -3.802 1.00 47.19 O HETATM 1557 O HOH 191 15.986 -16.674 -5.660 1.00 48.05 O HETATM 1558 O HOH 192 24.837 -18.999 11.417 1.00 43.45 O HETATM 1559 O HOH 193 13.332 -27.100 2.625 1.00 37.98 O HETATM 1560 O HOH 194 10.034 13.553 27.374 1.00 42.94 O HETATM 1561 O HOH 195 12.855 -12.684 27.623 1.00 48.22 O HETATM 1562 O HOH 196 3.880 1.200 34.804 1.00 48.23 O HETATM 1563 O HOH 197 10.381 -25.505 -18.742 1.00 40.00 O HETATM 1564 O HOH 198 4.394 -27.205 -17.428 1.00 41.44 O HETATM 1565 O HOH 199 20.616 -7.663 31.071 1.00 45.62 O HETATM 1566 O HOH 200 9.135 -4.743 40.640 1.00 45.36 O HETATM 1567 O HOH 201 7.501 -34.173 -16.185 1.00 44.53 O HETATM 1568 O HOH 202 15.088 -24.750 22.692 1.00 40.31 O HETATM 1569 O HOH 203 13.158 -13.567 -6.198 1.00 57.02 O HETATM 1570 O HOH 204 12.902 -11.599 -18.191 1.00 42.44 O HETATM 1571 O HOH 205 -5.951 -21.902 1.539 1.00 45.92 O HETATM 1572 O HOH 206 9.366 9.583 20.551 1.00 41.47 O HETATM 1573 O HOH 207 7.964 14.630 24.419 1.00 46.19 O HETATM 1574 O HOH 208 15.347 -14.513 0.454 1.00 50.89 O HETATM 1575 O HOH 209 -2.702 -24.155 2.528 1.00 39.26 O HETATM 1576 O HOH 210 25.220 -6.836 11.525 1.00 41.40 O HETATM 1577 O HOH 211 11.600 -28.750 3.491 1.00 47.45 O HETATM 1578 O HOH 212 17.362 -9.437 6.385 1.00 40.02 O HETATM 1579 O HOH 213 2.619 -23.669 21.609 1.00 45.21 O HETATM 1580 O HOH 214 8.406 -24.083 -17.690 1.00 38.23 O HETATM 1581 O HOH 215 13.115 -22.803 0.676 1.00 41.92 O HETATM 1582 O HOH 216 12.710 -5.940 12.233 1.00 42.81 O HETATM 1583 O HOH 217 8.541 -3.995 37.919 1.00 42.85 O HETATM 1584 O HOH 218 24.863 -5.143 9.998 1.00 46.44 O HETATM 1585 O HOH 219 6.369 -11.823 -6.917 1.00 21.84 O HETATM 1586 O HOH 220 0.571 -33.053 -3.651 1.00 41.31 O HETATM 1587 O HOH 221 -2.538 -23.680 -11.899 1.00 29.82 O HETATM 1588 O HOH 222 -1.783 -30.769 -0.165 1.00 21.65 O HETATM 1589 O HOH 223 -2.349 -23.446 -9.045 1.00 31.72 O HETATM 1590 O HOH 224 -0.812 -35.223 -4.361 1.00 38.38 O HETATM 1591 O HOH 225 6.536 -9.295 -6.336 1.00 43.89 O HETATM 1592 O HOH 226 -8.134 -29.664 -7.294 1.00 45.77 O HETATM 1593 O HOH 227 -3.075 -33.934 -6.816 1.00 53.41 O HETATM 1594 O HOH 228 -6.186 -28.022 -13.726 1.00 40.75 O HETATM 1595 O HOH 229 -12.797 -29.524 -0.904 1.00 48.90 O HETATM 1596 N PHE A 230 -5.420 -25.873 2.017 1.00 0.24 N HETATM 1597 CA PHE A 230 -5.609 -26.757 0.865 1.00 0.07 C HETATM 1598 C PHE A 230 -5.326 -28.221 1.194 1.00 0.23 C HETATM 1599 O PHE A 230 -4.431 -28.533 1.989 1.00 -0.39 O HETATM 1600 N PHE A 230 -6.088 -29.112 0.563 1.00 -0.26 N HETATM 1601 CA PHE A 230 -5.786 -30.537 0.591 1.00 0.13 C HETATM 1602 C PHE A 230 -5.392 -30.969 -0.823 1.00 0.20 C HETATM 1603 O PHE A 230 -4.212 -31.183 -1.099 1.00 -0.39 O HETATM 1604 N PHE A 230 -6.360 -31.038 -1.731 1.00 -0.26 N HETATM 1605 CA PHE A 230 -6.048 -31.329 -3.130 1.00 0.14 C HETATM 1606 C PHE A 230 -6.180 -30.112 -4.058 1.00 0.21 C HETATM 1607 O PHE A 230 -5.923 -30.208 -5.258 1.00 -0.39 O HETATM 1608 N PHE A 230 -6.554 -28.968 -3.496 1.00 -0.27 N HETATM 1609 CA PHE A 230 -6.928 -27.814 -4.298 1.00 0.12 C HETATM 1610 C PHE A 230 -5.888 -26.771 -4.688 1.00 0.20 C HETATM 1611 O PHE A 230 -6.201 -25.886 -5.489 1.00 -0.39 O HETATM 1612 N PHE A 230 -4.669 -26.849 -4.152 1.00 -0.26 N HETATM 1613 CA PHE A 230 -3.657 -25.827 -4.453 1.00 0.13 C HETATM 1614 C PHE A 230 -3.314 -25.772 -5.939 1.00 0.20 C HETATM 1615 O PHE A 230 -3.208 -24.689 -6.516 1.00 -0.39 O HETATM 1616 N PHE A 230 -3.161 -26.946 -6.550 1.00 -0.26 N HETATM 1617 CA PHE A 230 -2.783 -27.057 -7.960 1.00 0.13 C HETATM 1618 C PHE A 230 -3.768 -26.382 -8.914 1.00 0.20 C HETATM 1619 O PHE A 230 -3.437 -26.113 -10.068 1.00 -0.39 O HETATM 1620 N PHE A 230 -4.975 -26.108 -8.427 1.00 -0.26 N HETATM 1621 CA PHE A 230 -5.987 -25.434 -9.228 1.00 0.15 C HETATM 1622 C PHE A 230 -6.305 -24.030 -8.722 1.00 0.21 C HETATM 1623 O PHE A 230 -6.800 -23.194 -9.476 1.00 -0.39 O HETATM 1624 N PHE A 230 -6.005 -23.770 -7.453 1.00 -0.26 N HETATM 1625 CA PHE A 230 -6.522 -22.579 -6.785 1.00 0.13 C HETATM 1626 C PHE A 230 -5.514 -21.479 -6.408 1.00 0.20 C HETATM 1627 O PHE A 230 -5.842 -20.623 -5.598 1.00 -0.39 O HETATM 1628 N PHE A 230 -4.315 -21.475 -6.984 1.00 -0.26 N HETATM 1629 CA PHE A 230 -3.374 -20.374 -6.726 1.00 0.13 C HETATM 1630 C PHE A 230 -2.895 -19.683 -8.022 1.00 0.20 C HETATM 1631 O PHE A 230 -2.486 -20.359 -8.964 1.00 -0.39 O HETATM 1632 N PHE A 230 -2.992 -18.348 -8.072 1.00 -0.26 N HETATM 1633 CA PHE A 230 -2.413 -17.529 -9.148 1.00 0.14 C HETATM 1634 C PHE A 230 -1.103 -16.914 -8.652 1.00 0.21 C HETATM 1635 O PHE A 230 -1.076 -16.304 -7.590 1.00 -0.39 O HETATM 1636 N PHE A 230 -0.036 -17.040 -9.433 1.00 -0.26 N HETATM 1637 CA PHE A 230 1.283 -16.570 -9.018 1.00 0.13 C HETATM 1638 C PHE A 230 1.751 -15.378 -9.852 1.00 0.20 C HETATM 1639 O PHE A 230 1.794 -15.449 -11.080 1.00 -0.39 O HETATM 1640 N PHE A 230 2.106 -14.279 -9.191 1.00 -0.26 N HETATM 1641 CA PHE A 230 2.477 -13.078 -9.930 1.00 0.14 C HETATM 1642 C PHE A 230 3.929 -12.680 -9.730 1.00 0.20 C HETATM 1643 O PHE A 230 4.559 -12.152 -10.648 1.00 -0.39 O HETATM 1644 N PHE A 230 4.460 -12.937 -8.537 1.00 -0.30 N HETATM 1645 H108 PHE A 230 5.412 -12.696 -8.351 1.00 0.18 H HETATM 1646 H109 PHE A 230 3.906 -13.371 -7.827 1.00 0.18 H HETATM 1647 CB PHE A 230 1.537 -11.920 -9.581 1.00 0.02 C HETATM 1648 CG PHE A 230 0.088 -12.267 -9.809 1.00 -0.05 C HETATM 1649 CD1 PHE A 230 -0.434 -12.308 -11.097 1.00 -0.07 C HETATM 1650 CE1 PHE A 230 -1.751 -12.635 -11.326 1.00 -0.04 C HETATM 1651 CZ PHE A 230 -2.578 -12.912 -10.273 1.00 0.08 C HETATM 1652 CE2 PHE A 230 -2.094 -12.879 -8.975 1.00 -0.04 C HETATM 1653 CD2 PHE A 230 -0.762 -12.555 -8.751 1.00 -0.07 C HETATM 1654 H104 PHE A 230 -0.382 -12.527 -7.736 1.00 0.05 H HETATM 1655 H106 PHE A 230 -2.749 -13.104 -8.141 1.00 0.05 H HETATM 1656 OH PHE A 230 -3.891 -13.235 -10.525 1.00 -0.34 O HETATM 1657 H107 PHE A 230 -4.459 -12.610 -10.090 1.00 0.25 H HETATM 1658 H105 PHE A 230 -2.132 -12.673 -12.340 1.00 0.05 H HETATM 1659 H103 PHE A 230 0.210 -12.078 -11.938 1.00 0.05 H HETATM 1660 H101 PHE A 230 1.796 -11.054 -10.208 1.00 0.05 H HETATM 1661 H102 PHE A 230 1.675 -11.660 -8.521 1.00 0.05 H HETATM 1662 H100 PHE A 230 2.347 -13.301 -10.999 1.00 0.08 H HETATM 1663 H99 PHE A 230 2.118 -14.277 -8.191 1.00 0.19 H HETATM 1664 CB PHE A 230 2.304 -17.710 -9.118 1.00 -0.00 C HETATM 1665 CG1 PHE A 230 1.810 -18.906 -8.301 1.00 -0.05 C HETATM 1666 CD1 PHE A 230 2.687 -20.125 -8.392 1.00 -0.06 C HETATM 1667 H96 PHE A 230 2.259 -20.931 -7.778 1.00 0.02 H HETATM 1668 H97 PHE A 230 3.695 -19.880 -8.025 1.00 0.02 H HETATM 1669 H98 PHE A 230 2.748 -20.455 -9.439 1.00 0.02 H HETATM 1670 H91 PHE A 230 0.806 -19.177 -8.660 1.00 0.03 H HETATM 1671 H92 PHE A 230 1.752 -18.602 -7.245 1.00 0.03 H HETATM 1672 CG2 PHE A 230 3.678 -17.240 -8.651 1.00 -0.06 C HETATM 1673 H93 PHE A 230 3.998 -16.382 -9.260 1.00 0.02 H HETATM 1674 H94 PHE A 230 4.403 -18.060 -8.762 1.00 0.02 H HETATM 1675 H95 PHE A 230 3.623 -16.940 -7.594 1.00 0.02 H HETATM 1676 H90 PHE A 230 2.386 -18.018 -10.171 1.00 0.03 H HETATM 1677 H89 PHE A 230 1.218 -16.250 -7.968 1.00 0.08 H HETATM 1678 H88 PHE A 230 -0.139 -17.469 -10.331 1.00 0.19 H HETATM 1679 CB PHE A 230 -3.334 -16.364 -9.527 1.00 0.01 C HETATM 1680 CG PHE A 230 -4.653 -16.774 -10.099 1.00 -0.00 C HETATM 1681 ND1 PHE A 230 -4.772 -17.458 -11.290 1.00 -0.33 N HETATM 1682 CE1 PHE A 230 -6.050 -17.664 -11.552 1.00 0.09 C HETATM 1683 NE2 PHE A 230 -6.765 -17.123 -10.581 1.00 -0.28 N HETATM 1684 CD2 PHE A 230 -5.915 -16.556 -9.663 1.00 0.03 C HETATM 1685 H85 PHE A 230 -6.203 -16.029 -8.754 1.00 0.07 H HETATM 1686 H87 PHE A 230 -7.793 -17.126 -10.522 1.00 0.24 H HETATM 1687 H86 PHE A 230 -6.447 -18.189 -12.419 1.00 0.12 H HETATM 1688 H83 PHE A 230 -2.814 -15.744 -10.273 1.00 0.04 H HETATM 1689 H84 PHE A 230 -3.523 -15.768 -8.622 1.00 0.04 H HETATM 1690 H82 PHE A 230 -2.229 -18.161 -10.030 1.00 0.08 H HETATM 1691 H81 PHE A 230 -3.485 -17.882 -7.337 1.00 0.19 H HETATM 1692 CB PHE A 230 -2.194 -20.867 -5.863 1.00 -0.01 C HETATM 1693 CG1 PHE A 230 -1.091 -19.844 -5.776 1.00 -0.06 C HETATM 1694 H75 PHE A 230 -0.274 -20.238 -5.153 1.00 0.02 H HETATM 1695 H76 PHE A 230 -1.483 -18.920 -5.326 1.00 0.02 H HETATM 1696 H77 PHE A 230 -0.711 -19.628 -6.785 1.00 0.02 H HETATM 1697 CG2 PHE A 230 -2.687 -21.234 -4.471 1.00 -0.06 C HETATM 1698 H78 PHE A 230 -3.491 -21.981 -4.552 1.00 0.02 H HETATM 1699 H79 PHE A 230 -3.072 -20.334 -3.969 1.00 0.02 H HETATM 1700 H80 PHE A 230 -1.855 -21.653 -3.886 1.00 0.02 H HETATM 1701 H74 PHE A 230 -1.782 -21.771 -6.334 1.00 0.03 H HETATM 1702 H73 PHE A 230 -3.914 -19.615 -6.140 1.00 0.08 H HETATM 1703 H72 PHE A 230 -4.053 -22.223 -7.594 1.00 0.19 H HETATM 1704 CB PHE A 230 -7.330 -22.974 -5.539 1.00 -0.01 C HETATM 1705 CG PHE A 230 -8.644 -23.696 -5.829 1.00 -0.04 C HETATM 1706 CD PHE A 230 -9.311 -24.155 -4.537 1.00 -0.01 C HETATM 1707 CE PHE A 230 -10.614 -24.889 -4.816 1.00 -0.04 C HETATM 1708 NZ PHE A 230 -11.232 -25.438 -3.577 1.00 0.22 N HETATM 1709 H69 PHE A 230 -12.089 -25.913 -3.811 1.00 0.20 H HETATM 1710 H70 PHE A 230 -11.430 -24.684 -2.938 1.00 0.20 H HETATM 1711 H71 PHE A 230 -10.595 -26.088 -3.143 1.00 0.20 H HETATM 1712 H67 PHE A 230 -10.411 -25.720 -5.508 1.00 0.08 H HETATM 1713 H68 PHE A 230 -11.322 -24.188 -5.283 1.00 0.08 H HETATM 1714 H65 PHE A 230 -9.523 -23.275 -3.911 1.00 0.03 H HETATM 1715 H66 PHE A 230 -8.627 -24.830 -4.002 1.00 0.03 H HETATM 1716 H63 PHE A 230 -8.441 -24.573 -6.460 1.00 0.03 H HETATM 1717 H64 PHE A 230 -9.321 -23.011 -6.360 1.00 0.03 H HETATM 1718 H61 PHE A 230 -7.560 -22.058 -4.976 1.00 0.03 H HETATM 1719 H62 PHE A 230 -6.705 -23.636 -4.922 1.00 0.03 H HETATM 1720 H60 PHE A 230 -7.221 -22.117 -7.497 1.00 0.08 H HETATM 1721 H59 PHE A 230 -5.416 -24.401 -6.948 1.00 0.19 H HETATM 1722 CB PHE A 230 -7.272 -26.263 -9.264 1.00 0.08 C HETATM 1723 CG PHE A 230 -7.076 -27.608 -9.927 1.00 0.18 C HETATM 1724 OD1 PHE A 230 -6.285 -27.743 -10.861 1.00 -0.40 O HETATM 1725 ND2 PHE A 230 -7.797 -28.616 -9.446 1.00 -0.30 N HETATM 1726 H57 PHE A 230 -7.709 -29.529 -9.845 1.00 0.18 H HETATM 1727 H58 PHE A 230 -8.427 -28.462 -8.685 1.00 0.18 H HETATM 1728 H55 PHE A 230 -8.037 -25.703 -9.822 1.00 0.06 H HETATM 1729 H56 PHE A 230 -7.616 -26.425 -8.232 1.00 0.06 H HETATM 1730 H54 PHE A 230 -5.600 -25.346 -10.254 1.00 0.08 H HETATM 1731 H53 PHE A 230 -5.193 -26.372 -7.487 1.00 0.19 H HETATM 1732 CB PHE A 230 -2.594 -28.527 -8.349 1.00 -0.01 C HETATM 1733 CG PHE A 230 -1.361 -29.170 -7.735 1.00 -0.02 C HETATM 1734 CD PHE A 230 -1.364 -30.679 -7.913 1.00 0.06 C HETATM 1735 NE PHE A 230 -0.263 -31.318 -7.197 1.00 -0.27 N HETATM 1736 CZ PHE A 230 -0.101 -32.635 -7.100 1.00 0.29 C HETATM 1737 NH1 PHE A 230 -0.973 -33.455 -7.673 1.00 -0.28 N HETATM 1738 H49 PHE A 230 -0.847 -34.474 -7.598 1.00 0.26 H HETATM 1739 H50 PHE A 230 -1.775 -33.072 -8.193 1.00 0.26 H HETATM 1740 NH2 PHE A 230 0.931 -33.134 -6.431 1.00 -0.28 N HETATM 1741 H51 PHE A 230 1.610 -32.501 -5.985 1.00 0.26 H HETATM 1742 H52 PHE A 230 1.053 -34.154 -6.358 1.00 0.26 H HETATM 1743 H48 PHE A 230 0.431 -30.711 -6.739 1.00 0.26 H HETATM 1744 H46 PHE A 230 -1.272 -30.910 -8.985 1.00 0.07 H HETATM 1745 H47 PHE A 230 -2.315 -31.079 -7.532 1.00 0.07 H HETATM 1746 H44 PHE A 230 -1.337 -28.938 -6.660 1.00 0.03 H HETATM 1747 H45 PHE A 230 -0.465 -28.756 -8.220 1.00 0.03 H HETATM 1748 H42 PHE A 230 -2.508 -28.588 -9.444 1.00 0.03 H HETATM 1749 H43 PHE A 230 -3.479 -29.090 -8.019 1.00 0.03 H HETATM 1750 H41 PHE A 230 -1.815 -26.549 -8.078 1.00 0.08 H HETATM 1751 H40 PHE A 230 -3.310 -27.784 -6.025 1.00 0.19 H HETATM 1752 CB PHE A 230 -2.400 -26.045 -3.630 1.00 -0.02 C HETATM 1753 H37 PHE A 230 -1.662 -25.267 -3.875 1.00 0.03 H HETATM 1754 H38 PHE A 230 -1.979 -27.035 -3.859 1.00 0.03 H HETATM 1755 H39 PHE A 230 -2.648 -25.990 -2.560 1.00 0.03 H HETATM 1756 H36 PHE A 230 -4.079 -24.851 -4.172 1.00 0.08 H HETATM 1757 H35 PHE A 230 -4.442 -27.608 -3.541 1.00 0.19 H HETATM 1758 H33 PHE A 230 -7.712 -27.283 -3.739 1.00 0.08 H HETATM 1759 H34 PHE A 230 -7.348 -28.206 -5.236 1.00 0.08 H HETATM 1760 H32 PHE A 230 -6.579 -28.899 -2.499 1.00 0.19 H HETATM 1761 CB PHE A 230 -6.924 -32.477 -3.641 1.00 0.02 C HETATM 1762 CG PHE A 230 -6.525 -33.831 -3.113 1.00 -0.04 C HETATM 1763 CD1 PHE A 230 -5.349 -34.435 -3.536 1.00 -0.06 C HETATM 1764 CE1 PHE A 230 -4.980 -35.685 -3.067 1.00 -0.07 C HETATM 1765 CZ PHE A 230 -5.786 -36.354 -2.171 1.00 -0.07 C HETATM 1766 CE2 PHE A 230 -6.970 -35.772 -1.736 1.00 -0.07 C HETATM 1767 CD2 PHE A 230 -7.335 -34.512 -2.212 1.00 -0.06 C HETATM 1768 H28 PHE A 230 -8.261 -34.059 -1.875 1.00 0.06 H HETATM 1769 H30 PHE A 230 -7.607 -36.294 -1.031 1.00 0.06 H HETATM 1770 H31 PHE A 230 -5.496 -37.333 -1.806 1.00 0.06 H HETATM 1771 H29 PHE A 230 -4.055 -36.138 -3.405 1.00 0.06 H HETATM 1772 H27 PHE A 230 -4.710 -33.921 -4.244 1.00 0.06 H HETATM 1773 H25 PHE A 230 -6.859 -32.500 -4.739 1.00 0.05 H HETATM 1774 H26 PHE A 230 -7.963 -32.280 -3.340 1.00 0.05 H HETATM 1775 H24 PHE A 230 -4.999 -31.658 -3.169 1.00 0.08 H HETATM 1776 H23 PHE A 230 -7.310 -30.890 -1.455 1.00 0.19 H HETATM 1777 CB PHE A 230 -6.953 -31.362 1.169 1.00 -0.00 C HETATM 1778 CG1 PHE A 230 -7.217 -30.929 2.615 1.00 -0.05 C HETATM 1779 CD1 PHE A 230 -8.267 -31.744 3.340 1.00 -0.06 C HETATM 1780 H20 PHE A 230 -8.386 -31.361 4.364 1.00 0.02 H HETATM 1781 H21 PHE A 230 -7.953 -32.797 3.377 1.00 0.02 H HETATM 1782 H22 PHE A 230 -9.225 -31.666 2.806 1.00 0.02 H HETATM 1783 H15 PHE A 230 -7.546 -29.880 2.603 1.00 0.03 H HETATM 1784 H16 PHE A 230 -6.274 -31.011 3.175 1.00 0.03 H HETATM 1785 CG2 PHE A 230 -6.632 -32.843 1.135 1.00 -0.06 C HETATM 1786 H17 PHE A 230 -6.443 -33.153 0.097 1.00 0.02 H HETATM 1787 H18 PHE A 230 -7.483 -33.412 1.538 1.00 0.02 H HETATM 1788 H19 PHE A 230 -5.738 -33.038 1.745 1.00 0.02 H HETATM 1789 H14 PHE A 230 -7.854 -31.178 0.566 1.00 0.03 H HETATM 1790 H13 PHE A 230 -4.918 -30.692 1.249 1.00 0.08 H HETATM 1791 H12 PHE A 230 -6.889 -28.794 0.056 1.00 0.19 H HETATM 1792 CB PHE A 230 -4.696 -26.350 -0.299 1.00 0.04 C HETATM 1793 CG PHE A 230 -4.985 -24.989 -0.860 1.00 -0.04 C HETATM 1794 CD1 PHE A 230 -6.163 -24.746 -1.555 1.00 -0.06 C HETATM 1795 CE1 PHE A 230 -6.431 -23.497 -2.080 1.00 -0.07 C HETATM 1796 CZ PHE A 230 -5.511 -22.471 -1.922 1.00 -0.07 C HETATM 1797 CE2 PHE A 230 -4.329 -22.701 -1.241 1.00 -0.07 C HETATM 1798 CD2 PHE A 230 -4.067 -23.959 -0.718 1.00 -0.06 C HETATM 1799 H8 PHE A 230 -3.136 -24.139 -0.193 1.00 0.06 H HETATM 1800 H10 PHE A 230 -3.609 -21.900 -1.116 1.00 0.06 H HETATM 1801 H11 PHE A 230 -5.718 -21.489 -2.332 1.00 0.06 H HETATM 1802 H9 PHE A 230 -7.357 -23.319 -2.614 1.00 0.06 H HETATM 1803 H7 PHE A 230 -6.881 -25.547 -1.687 1.00 0.06 H HETATM 1804 H5 PHE A 230 -4.816 -27.088 -1.106 1.00 0.05 H HETATM 1805 H6 PHE A 230 -3.656 -26.362 0.058 1.00 0.05 H HETATM 1806 H4 PHE A 230 -6.657 -26.669 0.541 1.00 0.11 H HETATM 1807 H1 PHE A 230 -5.619 -24.922 1.747 1.00 0.20 H HETATM 1808 H2 PHE A 230 -4.467 -25.939 2.338 1.00 0.20 H HETATM 1809 H3 PHE A 230 -6.044 -26.149 2.759 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 284 272 285 292 1367 CONECT 343 342 1367 CONECT 1367 284 343 CONECT 1596 1597 1807 1808 1809 CONECT 1597 1596 1598 1792 1806 CONECT 1598 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 1601 1791 CONECT 1601 1600 1602 1777 1790 CONECT 1602 1601 1603 1604 CONECT 1603 1602 CONECT 1604 1602 1605 1776 CONECT 1605 1604 1606 1761 1775 CONECT 1606 1605 1607 1608 CONECT 1607 1606 CONECT 1608 1606 1609 1760 CONECT 1609 1608 1610 1758 1759 CONECT 1610 1609 1611 1612 CONECT 1611 1610 CONECT 1612 1610 1613 1757 CONECT 1613 1612 1614 1752 1756 CONECT 1614 1613 1615 1616 CONECT 1615 1614 CONECT 1616 1614 1617 1751 CONECT 1617 1616 1618 1732 1750 CONECT 1618 1617 1619 1620 CONECT 1619 1618 CONECT 1620 1618 1621 1731 CONECT 1621 1620 1622 1722 1730 CONECT 1622 1621 1623 1624 CONECT 1623 1622 CONECT 1624 1622 1625 1721 CONECT 1625 1624 1626 1704 1720 CONECT 1626 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 1629 1703 CONECT 1629 1628 1630 1692 1702 CONECT 1630 1629 1631 1632 CONECT 1631 1630 CONECT 1632 1630 1633 1691 CONECT 1633 1632 1634 1679 1690 CONECT 1634 1633 1635 1636 CONECT 1635 1634 CONECT 1636 1634 1637 1678 CONECT 1637 1636 1638 1664 1677 CONECT 1638 1637 1639 1640 CONECT 1639 1638 CONECT 1640 1638 1641 1663 CONECT 1641 1640 1642 1647 1662 CONECT 1642 1641 1643 1644 CONECT 1643 1642 CONECT 1644 1642 1645 1646 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1641 1648 1660 1661 CONECT 1648 1647 1649 1653 CONECT 1649 1648 1650 1659 CONECT 1650 1649 1651 1658 CONECT 1651 1650 1652 1656 CONECT 1652 1651 1653 1655 CONECT 1653 1648 1652 1654 CONECT 1654 1653 CONECT 1655 1652 CONECT 1656 1651 1657 CONECT 1657 1656 CONECT 1658 1650 CONECT 1659 1649 CONECT 1660 1647 CONECT 1661 1647 CONECT 1662 1641 CONECT 1663 1640 CONECT 1664 1637 1665 1672 1676 CONECT 1665 1664 1666 1670 1671 CONECT 1666 1665 1667 1668 1669 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1666 CONECT 1670 1665 CONECT 1671 1665 CONECT 1672 1664 1673 1674 1675 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1672 CONECT 1676 1664 CONECT 1677 1637 CONECT 1678 1636 CONECT 1679 1633 1680 1688 1689 CONECT 1680 1679 1681 1684 CONECT 1681 1680 1682 CONECT 1682 1681 1683 1687 CONECT 1683 1682 1684 1686 CONECT 1684 1680 1683 1685 CONECT 1685 1684 CONECT 1686 1683 CONECT 1687 1682 CONECT 1688 1679 CONECT 1689 1679 CONECT 1690 1633 CONECT 1691 1632 CONECT 1692 1629 1693 1697 1701 CONECT 1693 1692 1694 1695 1696 CONECT 1694 1693 CONECT 1695 1693 CONECT 1696 1693 CONECT 1697 1692 1698 1699 1700 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 CONECT 1701 1692 CONECT 1702 1629 CONECT 1703 1628 CONECT 1704 1625 1705 1718 1719 CONECT 1705 1704 1706 1716 1717 CONECT 1706 1705 1707 1714 1715 CONECT 1707 1706 1708 1712 1713 CONECT 1708 1707 1709 1710 1711 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1708 CONECT 1712 1707 CONECT 1713 1707 CONECT 1714 1706 CONECT 1715 1706 CONECT 1716 1705 CONECT 1717 1705 CONECT 1718 1704 CONECT 1719 1704 CONECT 1720 1625 CONECT 1721 1624 CONECT 1722 1621 1723 1728 1729 CONECT 1723 1722 1724 1725 CONECT 1724 1723 CONECT 1725 1723 1726 1727 CONECT 1726 1725 CONECT 1727 1725 CONECT 1728 1722 CONECT 1729 1722 CONECT 1730 1621 CONECT 1731 1620 CONECT 1732 1617 1733 1748 1749 CONECT 1733 1732 1734 1746 1747 CONECT 1734 1733 1735 1744 1745 CONECT 1735 1734 1736 1743 CONECT 1736 1735 1737 1740 CONECT 1737 1736 1738 1739 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1736 1741 1742 CONECT 1741 1740 CONECT 1742 1740 CONECT 1743 1735 CONECT 1744 1734 CONECT 1745 1734 CONECT 1746 1733 CONECT 1747 1733 CONECT 1748 1732 CONECT 1749 1732 CONECT 1750 1617 CONECT 1751 1616 CONECT 1752 1613 1753 1754 1755 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1613 CONECT 1757 1612 CONECT 1758 1609 CONECT 1759 1609 CONECT 1760 1608 CONECT 1761 1605 1762 1773 1774 CONECT 1762 1761 1763 1767 CONECT 1763 1762 1764 1772 CONECT 1764 1763 1765 1771 CONECT 1765 1764 1766 1770 CONECT 1766 1765 1767 1769 CONECT 1767 1762 1766 1768 CONECT 1768 1767 CONECT 1769 1766 CONECT 1770 1765 CONECT 1771 1764 CONECT 1772 1763 CONECT 1773 1761 CONECT 1774 1761 CONECT 1775 1605 CONECT 1776 1604 CONECT 1777 1601 1778 1785 1789 CONECT 1778 1777 1779 1783 1784 CONECT 1779 1778 1780 1781 1782 CONECT 1780 1779 CONECT 1781 1779 CONECT 1782 1779 CONECT 1783 1778 CONECT 1784 1778 CONECT 1785 1777 1786 1787 1788 CONECT 1786 1785 CONECT 1787 1785 CONECT 1788 1785 CONECT 1789 1777 CONECT 1790 1601 CONECT 1791 1600 CONECT 1792 1597 1793 1804 1805 CONECT 1793 1792 1794 1798 CONECT 1794 1793 1795 1803 CONECT 1795 1794 1796 1802 CONECT 1796 1795 1797 1801 CONECT 1797 1796 1798 1800 CONECT 1798 1793 1797 1799 CONECT 1799 1798 CONECT 1800 1797 CONECT 1801 1796 CONECT 1802 1795 CONECT 1803 1794 CONECT 1804 1792 CONECT 1805 1792 CONECT 1806 1597 CONECT 1807 1596 CONECT 1808 1596 CONECT 1809 1596 MASTER 0 0 0 0 0 0 0 0 1808 1 221 12 END
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Entry Information
PDB ID
4odn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FKBP peptidyl-prolyl isomerase SlyD
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.183uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) BMC Biol. Vol. 14: pp. 82-82
Ligand Properties
Formula
C
7
1
H
1
0
9
N
2
0
O
1
4
Molecular Weight
1466.750
Exact Mass
1465.840
No. of atoms
214
No. of bonds
217
Polar Surface Area
576.48
LOGP Value
2.38 (
Computed with XLOGP3
)
0.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)[NH3+])C)CCC[NH+]=C(N)N)CC(=O)N)CCCC[NH3+])C
InChI String
InChI=1S/C71H106N20O14/c1-8-40(5)58(90-62(97)48(73)31-43-19-12-10-13-20-43)70(105)87-52(33-44-21-14-11-15-22-44)63(98)80-37-56(94)82-42(7)61(96)83-50(24-18-30-79-71(76)77)64(99)86-54(35-55(74)93)66(101)84-49(23-16-17-29-72)65(100)89-57(39(3)4)68(103)88-53(34-46-36-78-38-81-46)67(102)91-59(41(6)9-2)69(104)85-51(60(75)95)32-45-25-27-47(92)28-26-45/h10-15,19-22,25-28,36,38-42,48-54,57-59,92H,8-9,16-18,23-24,29-35,37,72-73H2,1-7H3,(H2,74,93)(H2,75,95)(H,78,81)(H,80,98)(H,82,94)(H,83,96)(H,84,101)(H,85,104)(H,86,99)(H,87,105)(H,88,103)(H,89,100)(H,90,97)(H,91,102)(H4,76,77,79)/p+3/t40-,41-,42-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P0A7V0
Q5SLE7
Entrez Gene ID
NCBI Entrez Gene ID:
61734010
947874
3168679
ASD
Information of known allosteric effects of PDB entries
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