Browse entries in the PDBbind-CN Database
HEADER 5IOK_COMPLEX COMPND 5IOK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 GLY PRO LEU GLY SER MET VAL ALA THR VAL LYS ARG THR SEQRES 2 A 142 ILE ARG ILE LYS THR GLN GLN HIS ILE LEU PRO GLU VAL SEQRES 3 A 142 PRO PRO VAL GLU ASN PHE PRO VAL ARG GLN TRP SER ILE SEQRES 4 A 142 GLU ILE VAL LEU LEU ASP ASP GLU GLY LYS GLU ILE PRO SEQRES 5 A 142 ALA THR ILE PHE ASP LYS VAL ILE TYR HIS LEU HIS PRO SEQRES 6 A 142 THR PHE ALA ASN PRO ASN ARG THR PHE THR ASP PRO PRO SEQRES 7 A 142 PHE ARG ILE GLU GLU GLN GLY TRP GLY GLY PHE PRO LEU SEQRES 8 A 142 ASP ILE SER VAL PHE LEU LEU GLU LYS ALA GLY GLU ARG SEQRES 9 A 142 LYS ILE PRO HIS ASP LEU ASN PHE LEU GLN GLU SER TYR SEQRES 10 A 142 GLU VAL GLU HIS VAL ILE GLN ILE PRO LEU ASN LYS PRO SEQRES 11 A 142 LEU LEU THR GLU GLU LEU ALA LYS SER GLY SER THR HET ACE A 256 127 ATOM 1 N GLY A -4 38.796 -11.214 -11.828 1.00 69.16 N ATOM 2 CA GLY A -4 38.898 -10.147 -10.842 1.00 65.59 C ATOM 3 C GLY A -4 40.228 -9.408 -10.891 1.00 62.93 C ATOM 4 O GLY A -4 40.523 -8.719 -11.875 1.00 63.66 O ATOM 5 HN3 GLY A -4 39.549 -11.911 -11.661 1.00 0.00 H ATOM 6 HN2 GLY A -4 38.898 -10.813 -12.782 1.00 0.00 H ATOM 7 HN1 GLY A -4 37.868 -11.676 -11.742 1.00 0.00 H ATOM 8 N PRO A -3 41.036 -9.528 -9.819 1.00 60.95 N ATOM 9 CA PRO A -3 42.406 -9.019 -9.905 1.00 59.30 C ATOM 10 C PRO A -3 43.290 -10.069 -10.582 1.00 61.84 C ATOM 11 O PRO A -3 42.875 -11.233 -10.718 1.00 64.36 O ATOM 12 CB PRO A -3 42.791 -8.790 -8.436 1.00 57.49 C ATOM 13 CG PRO A -3 42.029 -9.837 -7.695 1.00 57.96 C ATOM 14 CD PRO A -3 40.768 -10.157 -8.509 1.00 60.77 C ATOM 15 N LEU A -2 44.478 -9.662 -11.023 1.00 53.47 N ATOM 16 CA LEU A -2 45.390 -10.572 -11.724 1.00 55.08 C ATOM 17 C LEU A -2 46.784 -10.524 -11.074 1.00 51.96 C ATOM 18 O LEU A -2 47.181 -9.489 -10.501 1.00 48.06 O ATOM 19 CB LEU A -2 45.467 -10.206 -13.217 1.00 57.57 C ATOM 20 CG LEU A -2 45.316 -11.256 -14.325 1.00 61.25 C ATOM 21 CD1 LEU A -2 44.028 -12.078 -14.201 1.00 62.82 C ATOM 22 CD2 LEU A -2 45.379 -10.582 -15.696 1.00 63.99 C ATOM 23 H LEU A -2 44.767 -8.675 -10.867 1.00 0.00 H ATOM 24 N GLY A -1 47.498 -11.651 -11.142 1.00 54.04 N ATOM 25 CA GLY A -1 48.872 -11.754 -10.676 1.00 52.05 C ATOM 26 C GLY A -1 49.162 -11.287 -9.257 1.00 50.56 C ATOM 27 O GLY A -1 48.426 -11.593 -8.307 1.00 49.66 O ATOM 28 H GLY A -1 47.049 -12.497 -11.548 1.00 0.00 H ATOM 29 N SER A 0 50.247 -10.528 -9.114 1.00 52.17 N ATOM 30 CA SER A 0 50.682 -10.011 -7.815 1.00 50.52 C ATOM 31 C SER A 0 49.586 -9.207 -7.091 1.00 49.67 C ATOM 32 O SER A 0 49.598 -9.083 -5.854 1.00 49.13 O ATOM 33 CB SER A 0 51.939 -9.143 -7.993 1.00 50.27 C ATOM 34 OG SER A 0 51.664 -7.967 -8.759 1.00 50.57 O ATOM 35 HG SER A 0 52.493 -7.434 -8.853 1.00 0.00 H ATOM 36 H SER A 0 50.807 -10.293 -9.958 1.00 0.00 H ATOM 37 N MET A 1 48.645 -8.660 -7.861 1.00 53.11 N ATOM 38 CA MET A 1 47.555 -7.851 -7.298 1.00 52.61 C ATOM 39 C MET A 1 46.463 -8.688 -6.611 1.00 52.67 C ATOM 40 O MET A 1 45.636 -8.141 -5.878 1.00 51.83 O ATOM 41 CB MET A 1 46.928 -6.975 -8.389 1.00 52.69 C ATOM 42 CG MET A 1 47.733 -5.710 -8.681 1.00 53.05 C ATOM 43 SD MET A 1 46.757 -4.405 -9.448 1.00 56.35 S ATOM 44 CE MET A 1 48.059 -3.321 -10.050 1.00 53.97 C ATOM 45 H MET A 1 48.683 -8.810 -8.889 1.00 0.00 H ATOM 46 N VAL A 2 46.458 -10.005 -6.840 1.00 50.82 N ATOM 47 CA VAL A 2 45.551 -10.882 -6.094 1.00 51.19 C ATOM 48 C VAL A 2 45.828 -10.798 -4.567 1.00 50.61 C ATOM 49 O VAL A 2 44.879 -10.701 -3.774 1.00 51.00 O ATOM 50 CB VAL A 2 45.645 -12.348 -6.594 1.00 51.81 C ATOM 51 CG1 VAL A 2 44.788 -13.284 -5.737 1.00 52.58 C ATOM 52 CG2 VAL A 2 45.227 -12.430 -8.064 1.00 52.69 C ATOM 53 H VAL A 2 47.101 -10.409 -7.551 1.00 0.00 H ATOM 54 N ALA A 3 47.108 -10.760 -4.167 1.00 43.95 N ATOM 55 CA ALA A 3 47.487 -10.719 -2.751 1.00 43.18 C ATOM 56 C ALA A 3 47.325 -9.328 -2.107 1.00 43.25 C ATOM 57 O ALA A 3 48.257 -8.782 -1.503 1.00 42.15 O ATOM 58 CB ALA A 3 48.914 -11.202 -2.590 1.00 42.76 C ATOM 59 H ALA A 3 47.858 -10.760 -4.887 1.00 0.00 H ATOM 60 N THR A 4 46.132 -8.759 -2.240 1.00 43.02 N ATOM 61 CA THR A 4 45.827 -7.474 -1.625 1.00 43.21 C ATOM 62 C THR A 4 44.406 -7.497 -1.052 1.00 43.84 C ATOM 63 O THR A 4 43.623 -8.404 -1.353 1.00 44.08 O ATOM 64 CB THR A 4 45.963 -6.299 -2.641 1.00 42.50 C ATOM 65 OG1 THR A 4 45.012 -6.459 -3.704 1.00 42.81 O ATOM 66 CG2 THR A 4 47.374 -6.242 -3.241 1.00 41.43 C ATOM 67 HG1 THR A 4 45.181 -7.316 -4.170 1.00 0.00 H ATOM 68 H THR A 4 45.398 -9.242 -2.796 1.00 0.00 H ATOM 69 N VAL A 5 44.093 -6.511 -0.218 1.00 39.96 N ATOM 70 CA VAL A 5 42.723 -6.242 0.211 1.00 41.55 C ATOM 71 C VAL A 5 42.371 -4.805 -0.126 1.00 41.28 C ATOM 72 O VAL A 5 43.241 -3.965 -0.358 1.00 40.43 O ATOM 73 CB VAL A 5 42.514 -6.447 1.733 1.00 42.74 C ATOM 74 CG1 VAL A 5 42.674 -7.900 2.110 1.00 44.01 C ATOM 75 CG2 VAL A 5 43.482 -5.578 2.531 1.00 41.92 C ATOM 76 H VAL A 5 44.856 -5.905 0.145 1.00 0.00 H ATOM 77 N LYS A 6 41.090 -4.502 -0.119 1.00 40.36 N ATOM 78 CA LYS A 6 40.679 -3.145 -0.401 1.00 39.97 C ATOM 79 C LYS A 6 40.151 -2.489 0.862 1.00 41.06 C ATOM 80 O LYS A 6 39.533 -3.130 1.707 1.00 41.62 O ATOM 81 CB LYS A 6 39.644 -3.122 -1.519 1.00 40.03 C ATOM 82 CG LYS A 6 40.169 -3.685 -2.836 1.00 39.91 C ATOM 83 CD LYS A 6 39.066 -3.713 -3.901 1.00 41.54 C ATOM 84 CE LYS A 6 39.576 -4.261 -5.231 1.00 42.62 C ATOM 85 NZ LYS A 6 38.528 -4.040 -6.270 1.00 44.80 N ATOM 86 HZ1 LYS A 6 37.657 -4.536 -5.993 1.00 0.00 H ATOM 87 HZ2 LYS A 6 38.336 -3.021 -6.356 1.00 0.00 H ATOM 88 HZ3 LYS A 6 38.863 -4.409 -7.183 1.00 0.00 H ATOM 89 H LYS A 6 40.379 -5.233 0.088 1.00 0.00 H ATOM 90 N ARG A 7 40.465 -1.211 0.998 1.00 37.81 N ATOM 91 CA ARG A 7 39.924 -0.400 2.062 1.00 39.00 C ATOM 92 C ARG A 7 39.369 0.863 1.446 1.00 39.35 C ATOM 93 O ARG A 7 39.866 1.326 0.414 1.00 38.66 O ATOM 94 CB ARG A 7 40.988 -0.062 3.096 1.00 38.52 C ATOM 95 CG ARG A 7 41.424 -1.253 3.912 1.00 39.19 C ATOM 96 CD ARG A 7 40.350 -1.611 4.899 1.00 41.40 C ATOM 97 NE ARG A 7 40.784 -2.669 5.794 1.00 41.87 N ATOM 98 CZ ARG A 7 40.677 -3.955 5.499 1.00 42.21 C ATOM 99 NH1 ARG A 7 40.145 -4.319 4.340 1.00 41.77 N ATOM 100 NH2 ARG A 7 41.094 -4.871 6.356 1.00 42.88 N ATOM 101 HE ARG A 7 41.199 -2.404 6.710 1.00 0.00 H ATOM 102 HH12 ARG A 7 40.058 -5.328 4.102 1.00 0.00 H ATOM 103 HH11 ARG A 7 39.815 -3.596 3.669 1.00 0.00 H ATOM 104 HH22 ARG A 7 41.008 -5.880 6.121 1.00 0.00 H ATOM 105 HH21 ARG A 7 41.508 -4.582 7.265 1.00 0.00 H ATOM 106 H ARG A 7 41.122 -0.778 0.318 1.00 0.00 H ATOM 107 N THR A 8 38.333 1.411 2.071 1.00 39.51 N ATOM 108 CA THR A 8 37.830 2.716 1.695 1.00 39.76 C ATOM 109 C THR A 8 38.382 3.760 2.665 1.00 38.78 C ATOM 110 O THR A 8 38.251 3.631 3.888 1.00 39.03 O ATOM 111 CB THR A 8 36.289 2.758 1.689 1.00 41.26 C ATOM 112 OG1 THR A 8 35.790 1.824 0.725 1.00 41.87 O ATOM 113 CG2 THR A 8 35.800 4.139 1.310 1.00 40.70 C ATOM 114 HG1 THR A 8 34.800 1.852 0.722 1.00 0.00 H ATOM 115 H THR A 8 37.874 0.892 2.846 1.00 0.00 H ATOM 116 N ILE A 9 39.028 4.784 2.126 1.00 39.55 N ATOM 117 CA ILE A 9 39.381 5.925 2.948 1.00 38.53 C ATOM 118 C ILE A 9 38.488 7.122 2.595 1.00 39.71 C ATOM 119 O ILE A 9 38.117 7.348 1.434 1.00 39.67 O ATOM 120 CB ILE A 9 40.862 6.304 2.808 1.00 38.26 C ATOM 121 CG1 ILE A 9 41.161 6.803 1.410 1.00 37.14 C ATOM 122 CG2 ILE A 9 41.786 5.095 3.149 1.00 36.46 C ATOM 123 CD1 ILE A 9 42.617 7.221 1.266 1.00 36.47 C ATOM 124 H ILE A 9 39.281 4.769 1.117 1.00 0.00 H ATOM 125 N ARG A 10 38.113 7.864 3.621 1.00 37.36 N ATOM 126 CA ARG A 10 37.300 9.046 3.428 1.00 38.07 C ATOM 127 C ARG A 10 38.140 10.302 3.648 1.00 36.83 C ATOM 128 O ARG A 10 38.692 10.524 4.728 1.00 36.53 O ATOM 129 CB ARG A 10 36.090 9.017 4.369 1.00 38.48 C ATOM 130 CG ARG A 10 35.203 10.240 4.276 1.00 39.51 C ATOM 131 CD ARG A 10 34.005 10.123 5.211 1.00 40.89 C ATOM 132 NE ARG A 10 33.033 9.142 4.739 1.00 41.49 N ATOM 133 CZ ARG A 10 32.174 8.503 5.530 1.00 43.59 C ATOM 134 NH1 ARG A 10 32.166 8.723 6.840 1.00 42.93 N ATOM 135 NH2 ARG A 10 31.323 7.631 5.013 1.00 44.64 N ATOM 136 HE ARG A 10 33.010 8.929 3.721 1.00 0.00 H ATOM 137 HH12 ARG A 10 31.490 8.218 7.448 1.00 0.00 H ATOM 138 HH11 ARG A 10 32.836 9.400 7.258 1.00 0.00 H ATOM 139 HH22 ARG A 10 30.651 7.131 5.630 1.00 0.00 H ATOM 140 HH21 ARG A 10 31.326 7.446 3.990 1.00 0.00 H ATOM 141 H ARG A 10 38.406 7.595 4.582 1.00 0.00 H ATOM 142 N ILE A 11 38.258 11.097 2.596 1.00 38.50 N ATOM 143 CA ILE A 11 38.835 12.431 2.679 1.00 37.73 C ATOM 144 C ILE A 11 37.755 13.454 3.057 1.00 39.35 C ATOM 145 O ILE A 11 36.723 13.550 2.384 1.00 39.96 O ATOM 146 CB ILE A 11 39.500 12.826 1.345 1.00 37.64 C ATOM 147 CG1 ILE A 11 40.602 11.821 1.000 1.00 37.47 C ATOM 148 CG2 ILE A 11 40.096 14.221 1.428 1.00 36.57 C ATOM 149 CD1 ILE A 11 41.170 12.009 -0.375 1.00 37.88 C ATOM 150 H ILE A 11 37.925 10.754 1.672 1.00 0.00 H ATOM 151 N LYS A 12 37.997 14.189 4.143 1.00 38.80 N ATOM 152 CA LYS A 12 37.038 15.153 4.675 1.00 38.93 C ATOM 153 C LYS A 12 37.560 16.578 4.529 1.00 38.60 C ATOM 154 O LYS A 12 38.637 16.917 5.038 1.00 38.05 O ATOM 155 CB LYS A 12 36.732 14.869 6.149 1.00 39.06 C ATOM 156 CG LYS A 12 36.369 13.438 6.445 1.00 41.01 C ATOM 157 CD LYS A 12 36.410 13.145 7.944 1.00 41.55 C ATOM 158 CE LYS A 12 35.147 13.585 8.653 1.00 42.39 C ATOM 159 NZ LYS A 12 35.175 13.110 10.070 1.00 43.09 N ATOM 160 HZ1 LYS A 12 35.236 12.072 10.085 1.00 0.00 H ATOM 161 HZ2 LYS A 12 36.002 13.515 10.554 1.00 0.00 H ATOM 162 HZ3 LYS A 12 34.306 13.414 10.554 1.00 0.00 H ATOM 163 H LYS A 12 38.907 14.071 4.632 1.00 0.00 H ATOM 164 N THR A 13 36.792 17.410 3.835 1.00 38.79 N ATOM 165 CA THR A 13 37.213 18.774 3.563 1.00 38.15 C ATOM 166 C THR A 13 36.266 19.795 4.185 1.00 39.16 C ATOM 167 O THR A 13 35.040 19.608 4.147 1.00 40.10 O ATOM 168 CB THR A 13 37.304 19.027 2.052 1.00 38.28 C ATOM 169 OG1 THR A 13 38.151 18.039 1.452 1.00 37.97 O ATOM 170 CG2 THR A 13 37.849 20.429 1.775 1.00 38.05 C ATOM 171 HG1 THR A 13 37.772 17.139 1.614 1.00 0.00 H ATOM 172 H THR A 13 35.872 17.079 3.480 1.00 0.00 H ATOM 173 N GLN A 14 36.837 20.857 4.763 1.00 39.54 N ATOM 174 CA GLN A 14 36.054 21.995 5.265 1.00 39.92 C ATOM 175 C GLN A 14 36.634 23.314 4.765 1.00 40.01 C ATOM 176 O GLN A 14 37.830 23.411 4.571 1.00 39.08 O ATOM 177 CB GLN A 14 36.007 22.011 6.799 1.00 40.80 C ATOM 178 CG GLN A 14 35.498 20.716 7.435 1.00 43.58 C ATOM 179 CD GLN A 14 35.079 20.878 8.903 1.00 45.20 C ATOM 180 OE1 GLN A 14 35.207 21.961 9.490 1.00 45.89 O ATOM 181 NE2 GLN A 14 34.563 19.795 9.497 1.00 45.84 N ATOM 182 HE22 GLN A 14 34.473 18.905 8.967 1.00 0.00 H ATOM 183 HE21 GLN A 14 34.252 19.844 10.488 1.00 0.00 H ATOM 184 H GLN A 14 37.872 20.879 4.861 1.00 0.00 H ATOM 185 N GLN A 15 35.787 24.332 4.567 1.00 40.21 N ATOM 186 CA GLN A 15 36.272 25.667 4.197 1.00 40.20 C ATOM 187 C GLN A 15 35.302 26.788 4.585 1.00 41.08 C ATOM 188 O GLN A 15 34.087 26.599 4.596 1.00 41.46 O ATOM 189 CB GLN A 15 36.566 25.736 2.691 1.00 39.72 C ATOM 190 CG GLN A 15 35.370 25.433 1.790 1.00 41.17 C ATOM 191 CD GLN A 15 34.514 26.660 1.477 1.00 42.53 C ATOM 192 OE1 GLN A 15 34.959 27.800 1.621 1.00 42.52 O ATOM 193 NE2 GLN A 15 33.274 26.424 1.050 1.00 42.51 N ATOM 194 HE22 GLN A 15 32.938 25.446 0.942 1.00 0.00 H ATOM 195 HE21 GLN A 15 32.642 27.218 0.824 1.00 0.00 H ATOM 196 H GLN A 15 34.765 24.174 4.678 1.00 0.00 H ATOM 197 N HIS A 16 35.850 27.959 4.901 1.00 43.59 N ATOM 198 CA HIS A 16 35.018 29.136 5.127 1.00 44.08 C ATOM 199 C HIS A 16 35.822 30.388 4.836 1.00 44.94 C ATOM 200 O HIS A 16 37.046 30.370 4.925 1.00 44.31 O ATOM 201 CB HIS A 16 34.458 29.141 6.555 1.00 44.22 C ATOM 202 CG HIS A 16 35.508 29.192 7.626 1.00 45.96 C ATOM 203 ND1 HIS A 16 36.162 30.354 7.985 1.00 46.93 N ATOM 204 CD2 HIS A 16 36.042 28.209 8.390 1.00 47.06 C ATOM 205 CE1 HIS A 16 37.039 30.087 8.940 1.00 46.76 C ATOM 206 NE2 HIS A 16 36.990 28.792 9.199 1.00 47.22 N ATOM 207 H HIS A 16 36.884 28.036 4.988 1.00 0.00 H ATOM 208 N ILE A 17 35.130 31.464 4.465 1.00 43.08 N ATOM 209 CA ILE A 17 35.781 32.732 4.134 1.00 42.73 C ATOM 210 C ILE A 17 36.429 33.403 5.347 1.00 43.14 C ATOM 211 O ILE A 17 35.841 33.444 6.425 1.00 43.30 O ATOM 212 CB ILE A 17 34.774 33.691 3.506 1.00 43.85 C ATOM 213 CG1 ILE A 17 34.318 33.139 2.156 1.00 43.47 C ATOM 214 CG2 ILE A 17 35.357 35.125 3.365 1.00 44.27 C ATOM 215 CD1 ILE A 17 33.165 33.915 1.552 1.00 43.96 C ATOM 216 H ILE A 17 34.093 31.401 4.409 1.00 0.00 H ATOM 217 N LEU A 18 37.657 33.890 5.168 1.00 42.40 N ATOM 218 CA LEU A 18 38.304 34.760 6.146 1.00 42.79 C ATOM 219 C LEU A 18 38.085 36.226 5.753 1.00 44.36 C ATOM 220 O LEU A 18 38.764 36.741 4.862 1.00 44.89 O ATOM 221 CB LEU A 18 39.804 34.465 6.247 1.00 42.77 C ATOM 222 CG LEU A 18 40.273 33.105 6.778 1.00 43.02 C ATOM 223 CD1 LEU A 18 41.778 33.016 6.686 1.00 42.96 C ATOM 224 CD2 LEU A 18 39.824 32.879 8.219 1.00 42.36 C ATOM 225 H LEU A 18 38.173 33.641 4.300 1.00 0.00 H ATOM 226 N PRO A 19 37.143 36.906 6.417 1.00 43.03 N ATOM 227 CA PRO A 19 36.833 38.284 6.002 1.00 44.25 C ATOM 228 C PRO A 19 37.941 39.308 6.318 1.00 44.89 C ATOM 229 O PRO A 19 37.955 40.387 5.711 1.00 45.02 O ATOM 230 CB PRO A 19 35.545 38.612 6.788 1.00 44.72 C ATOM 231 CG PRO A 19 34.986 37.272 7.225 1.00 44.17 C ATOM 232 CD PRO A 19 36.205 36.403 7.436 1.00 43.33 C ATOM 233 N GLU A 20 38.849 38.998 7.241 1.00 44.28 N ATOM 234 CA GLU A 20 39.908 39.955 7.585 1.00 45.93 C ATOM 235 C GLU A 20 41.018 39.954 6.531 1.00 45.46 C ATOM 236 O GLU A 20 41.823 40.877 6.471 1.00 47.11 O ATOM 237 CB GLU A 20 40.495 39.665 8.974 1.00 46.79 C ATOM 238 CG GLU A 20 41.362 38.408 9.079 1.00 45.27 C ATOM 239 CD GLU A 20 40.550 37.142 9.359 1.00 43.73 C ATOM 240 OE1 GLU A 20 39.297 37.187 9.244 1.00 43.95 O ATOM 241 OE2 GLU A 20 41.162 36.090 9.688 1.00 43.49 O ATOM 242 H GLU A 20 38.808 38.076 7.720 1.00 0.00 H ATOM 243 N VAL A 21 41.052 38.910 5.705 1.00 44.50 N ATOM 244 CA VAL A 21 42.000 38.825 4.597 1.00 44.59 C ATOM 245 C VAL A 21 41.405 39.493 3.364 1.00 44.87 C ATOM 246 O VAL A 21 40.308 39.146 2.945 1.00 45.06 O ATOM 247 CB VAL A 21 42.361 37.370 4.262 1.00 43.87 C ATOM 248 CG1 VAL A 21 43.572 37.328 3.340 1.00 43.32 C ATOM 249 CG2 VAL A 21 42.634 36.584 5.539 1.00 43.09 C ATOM 250 H VAL A 21 40.381 38.129 5.854 1.00 0.00 H ATOM 251 N PRO A 22 42.122 40.466 2.780 1.00 43.77 N ATOM 252 CA PRO A 22 41.548 41.176 1.633 1.00 44.48 C ATOM 253 C PRO A 22 41.328 40.245 0.442 1.00 43.06 C ATOM 254 O PRO A 22 42.172 39.400 0.139 1.00 42.23 O ATOM 255 CB PRO A 22 42.604 42.251 1.314 1.00 46.67 C ATOM 256 CG PRO A 22 43.441 42.379 2.564 1.00 47.47 C ATOM 257 CD PRO A 22 43.459 40.975 3.136 1.00 45.32 C ATOM 258 N PRO A 23 40.186 40.380 -0.232 1.00 43.00 N ATOM 259 CA PRO A 23 39.963 39.555 -1.427 1.00 42.11 C ATOM 260 C PRO A 23 41.072 39.731 -2.490 1.00 43.11 C ATOM 261 O PRO A 23 41.712 40.786 -2.575 1.00 44.90 O ATOM 262 CB PRO A 23 38.614 40.060 -1.957 1.00 42.75 C ATOM 263 CG PRO A 23 37.979 40.800 -0.802 1.00 43.33 C ATOM 264 CD PRO A 23 39.119 41.380 -0.025 1.00 44.14 C ATOM 265 N VAL A 24 41.306 38.698 -3.288 1.00 45.24 N ATOM 266 CA VAL A 24 42.297 38.786 -4.356 1.00 46.44 C ATOM 267 C VAL A 24 41.579 38.916 -5.691 1.00 47.37 C ATOM 268 O VAL A 24 40.924 37.976 -6.130 1.00 46.32 O ATOM 269 CB VAL A 24 43.218 37.562 -4.374 1.00 45.25 C ATOM 270 CG1 VAL A 24 44.322 37.739 -5.402 1.00 46.94 C ATOM 271 CG2 VAL A 24 43.804 37.329 -2.992 1.00 44.35 C ATOM 272 H VAL A 24 40.776 37.813 -3.151 1.00 0.00 H ATOM 273 N GLU A 25 41.676 40.085 -6.318 1.00 46.50 N ATOM 274 CA GLU A 25 40.915 40.355 -7.534 1.00 47.78 C ATOM 275 C GLU A 25 39.414 40.116 -7.308 1.00 46.76 C ATOM 276 O GLU A 25 38.754 39.490 -8.139 1.00 46.74 O ATOM 277 CB GLU A 25 41.425 39.491 -8.701 1.00 48.17 C ATOM 278 CG GLU A 25 42.804 39.900 -9.208 1.00 50.05 C ATOM 279 CD GLU A 25 43.357 38.947 -10.261 1.00 50.51 C ATOM 280 OE1 GLU A 25 42.977 37.766 -10.259 1.00 48.74 O ATOM 281 OE2 GLU A 25 44.180 39.376 -11.098 1.00 52.87 O ATOM 282 H GLU A 25 42.305 40.819 -5.935 1.00 0.00 H ATOM 283 N ASN A 26 38.902 40.614 -6.177 1.00 44.46 N ATOM 284 CA ASN A 26 37.505 40.444 -5.733 1.00 43.70 C ATOM 285 C ASN A 26 37.126 39.051 -5.229 1.00 41.57 C ATOM 286 O ASN A 26 36.001 38.866 -4.760 1.00 41.12 O ATOM 287 CB ASN A 26 36.533 40.826 -6.840 1.00 45.18 C ATOM 288 CG ASN A 26 36.511 42.281 -7.080 1.00 47.29 C ATOM 289 OD1 ASN A 26 36.681 43.068 -6.147 1.00 47.51 O ATOM 290 ND2 ASN A 26 36.308 42.674 -8.334 1.00 49.12 N ATOM 291 HD22 ASN A 26 36.170 41.967 -9.085 1.00 0.00 H ATOM 292 HD21 ASN A 26 36.287 43.688 -8.564 1.00 0.00 H ATOM 293 H ASN A 26 39.537 41.163 -5.563 1.00 0.00 H ATOM 294 N PHE A 27 38.041 38.088 -5.325 1.00 45.90 N ATOM 295 CA PHE A 27 37.794 36.753 -4.788 1.00 44.20 C ATOM 296 C PHE A 27 38.183 36.662 -3.319 1.00 43.00 C ATOM 297 O PHE A 27 39.303 36.978 -2.948 1.00 43.25 O ATOM 298 CB PHE A 27 38.554 35.694 -5.593 1.00 44.59 C ATOM 299 CG PHE A 27 37.960 35.431 -6.944 1.00 46.26 C ATOM 300 CD1 PHE A 27 38.056 36.369 -7.951 1.00 47.81 C ATOM 301 CD2 PHE A 27 37.289 34.252 -7.202 1.00 45.90 C ATOM 302 CE1 PHE A 27 37.492 36.134 -9.199 1.00 48.91 C ATOM 303 CE2 PHE A 27 36.725 34.013 -8.448 1.00 46.46 C ATOM 304 CZ PHE A 27 36.829 34.951 -9.443 1.00 47.44 C ATOM 305 H PHE A 27 38.948 38.291 -5.791 1.00 0.00 H ATOM 306 N PRO A 28 37.252 36.207 -2.478 1.00 43.26 N ATOM 307 CA PRO A 28 37.507 36.069 -1.040 1.00 42.20 C ATOM 308 C PRO A 28 38.582 35.014 -0.706 1.00 42.15 C ATOM 309 O PRO A 28 38.713 34.002 -1.399 1.00 42.26 O ATOM 310 CB PRO A 28 36.141 35.648 -0.491 1.00 41.53 C ATOM 311 CG PRO A 28 35.468 34.967 -1.656 1.00 41.69 C ATOM 312 CD PRO A 28 35.904 35.748 -2.857 1.00 42.82 C ATOM 313 N VAL A 29 39.354 35.258 0.344 1.00 42.43 N ATOM 314 CA VAL A 29 40.345 34.283 0.756 1.00 41.75 C ATOM 315 C VAL A 29 39.697 33.433 1.823 1.00 41.53 C ATOM 316 O VAL A 29 39.071 33.962 2.753 1.00 42.47 O ATOM 317 CB VAL A 29 41.649 34.931 1.280 1.00 42.07 C ATOM 318 CG1 VAL A 29 42.507 33.907 2.028 1.00 41.35 C ATOM 319 CG2 VAL A 29 42.435 35.546 0.124 1.00 43.06 C ATOM 320 H VAL A 29 39.249 36.148 0.872 1.00 0.00 H ATOM 321 N ARG A 30 39.822 32.119 1.665 1.00 41.64 N ATOM 322 CA ARG A 30 39.163 31.163 2.536 1.00 40.85 C ATOM 323 C ARG A 30 40.186 30.352 3.289 1.00 40.52 C ATOM 324 O ARG A 30 41.252 30.047 2.767 1.00 40.81 O ATOM 325 CB ARG A 30 38.251 30.230 1.735 1.00 40.32 C ATOM 326 CG ARG A 30 37.186 30.944 0.918 1.00 40.88 C ATOM 327 CD ARG A 30 36.534 30.005 -0.071 1.00 41.27 C ATOM 328 NE ARG A 30 35.540 30.684 -0.897 1.00 42.29 N ATOM 329 CZ ARG A 30 34.250 30.754 -0.600 1.00 42.41 C ATOM 330 NH1 ARG A 30 33.790 30.168 0.496 1.00 41.65 N ATOM 331 NH2 ARG A 30 33.425 31.413 -1.396 1.00 42.91 N ATOM 332 HE ARG A 30 35.864 31.141 -1.773 1.00 0.00 H ATOM 333 HH12 ARG A 30 32.778 30.223 0.729 1.00 0.00 H ATOM 334 HH11 ARG A 30 34.441 29.653 1.123 1.00 0.00 H ATOM 335 HH22 ARG A 30 32.413 31.469 -1.164 1.00 0.00 H ATOM 336 HH21 ARG A 30 33.788 31.875 -2.254 1.00 0.00 H ATOM 337 H ARG A 30 40.414 31.763 0.888 1.00 0.00 H ATOM 338 N GLN A 31 39.868 30.019 4.530 1.00 44.96 N ATOM 339 CA GLN A 31 40.609 28.994 5.229 1.00 44.06 C ATOM 340 C GLN A 31 39.976 27.642 4.921 1.00 44.19 C ATOM 341 O GLN A 31 38.749 27.470 5.047 1.00 44.63 O ATOM 342 CB GLN A 31 40.631 29.239 6.730 1.00 44.63 C ATOM 343 CG GLN A 31 41.480 28.195 7.451 1.00 45.75 C ATOM 344 CD GLN A 31 42.365 28.810 8.505 1.00 47.46 C ATOM 345 OE1 GLN A 31 42.766 29.980 8.398 1.00 49.08 O ATOM 346 NE2 GLN A 31 42.675 28.035 9.540 1.00 47.47 N ATOM 347 HE22 GLN A 31 42.315 27.060 9.586 1.00 0.00 H ATOM 348 HE21 GLN A 31 43.277 28.404 10.304 1.00 0.00 H ATOM 349 H GLN A 31 39.078 30.499 5.006 1.00 0.00 H ATOM 350 N TRP A 32 40.802 26.698 4.490 1.00 40.05 N ATOM 351 CA TRP A 32 40.312 25.358 4.238 1.00 38.55 C ATOM 352 C TRP A 32 41.191 24.335 4.929 1.00 38.81 C ATOM 353 O TRP A 32 42.333 24.614 5.278 1.00 38.88 O ATOM 354 CB TRP A 32 40.213 25.064 2.741 1.00 38.71 C ATOM 355 CG TRP A 32 41.450 25.301 1.924 1.00 39.82 C ATOM 356 CD1 TRP A 32 41.731 26.402 1.152 1.00 41.49 C ATOM 357 CD2 TRP A 32 42.553 24.402 1.754 1.00 39.40 C ATOM 358 NE1 TRP A 32 42.945 26.242 0.527 1.00 41.32 N ATOM 359 CE2 TRP A 32 43.471 25.029 0.881 1.00 40.97 C ATOM 360 CE3 TRP A 32 42.860 23.132 2.263 1.00 38.71 C ATOM 361 CZ2 TRP A 32 44.672 24.429 0.506 1.00 40.79 C ATOM 362 CZ3 TRP A 32 44.044 22.538 1.889 1.00 39.41 C ATOM 363 CH2 TRP A 32 44.940 23.186 1.017 1.00 40.28 C ATOM 364 HE1 TRP A 32 43.391 26.931 -0.111 1.00 0.00 H ATOM 365 H TRP A 32 41.806 26.921 4.332 1.00 0.00 H ATOM 366 N SER A 33 40.618 23.155 5.133 1.00 38.87 N ATOM 367 CA SER A 33 41.239 22.076 5.864 1.00 38.50 C ATOM 368 C SER A 33 40.887 20.757 5.191 1.00 38.58 C ATOM 369 O SER A 33 39.760 20.569 4.715 1.00 39.33 O ATOM 370 CB SER A 33 40.791 22.077 7.333 1.00 38.52 C ATOM 371 OG SER A 33 39.409 21.764 7.463 1.00 39.33 O ATOM 372 HG SER A 33 39.239 20.865 7.086 1.00 0.00 H ATOM 373 H SER A 33 39.666 22.999 4.744 1.00 0.00 H ATOM 374 N ILE A 34 41.875 19.863 5.113 1.00 35.77 N ATOM 375 CA ILE A 34 41.641 18.495 4.681 1.00 35.13 C ATOM 376 C ILE A 34 42.135 17.534 5.762 1.00 35.33 C ATOM 377 O ILE A 34 43.184 17.768 6.384 1.00 35.11 O ATOM 378 CB ILE A 34 42.340 18.186 3.351 1.00 34.87 C ATOM 379 CG1 ILE A 34 42.072 19.283 2.326 1.00 35.88 C ATOM 380 CG2 ILE A 34 41.875 16.846 2.803 1.00 34.92 C ATOM 381 CD1 ILE A 34 42.848 19.108 1.044 1.00 36.08 C ATOM 382 H ILE A 34 42.840 20.154 5.369 1.00 0.00 H ATOM 383 N GLU A 35 41.353 16.481 6.000 1.00 37.15 N ATOM 384 CA GLU A 35 41.720 15.379 6.898 1.00 37.35 C ATOM 385 C GLU A 35 41.431 14.058 6.225 1.00 37.89 C ATOM 386 O GLU A 35 40.644 14.005 5.283 1.00 37.59 O ATOM 387 CB GLU A 35 40.937 15.415 8.204 1.00 38.03 C ATOM 388 CG GLU A 35 41.012 16.696 8.954 1.00 39.56 C ATOM 389 CD GLU A 35 40.164 16.646 10.197 1.00 40.54 C ATOM 390 OE1 GLU A 35 39.056 16.076 10.111 1.00 41.20 O ATOM 391 OE2 GLU A 35 40.607 17.158 11.256 1.00 41.46 O ATOM 392 H GLU A 35 40.430 16.438 5.522 1.00 0.00 H ATOM 393 N ILE A 36 42.025 12.987 6.748 1.00 35.65 N ATOM 394 CA ILE A 36 41.856 11.656 6.168 1.00 36.03 C ATOM 395 C ILE A 36 41.523 10.616 7.232 1.00 36.80 C ATOM 396 O ILE A 36 42.230 10.495 8.236 1.00 36.16 O ATOM 397 CB ILE A 36 43.127 11.222 5.397 1.00 35.53 C ATOM 398 CG1 ILE A 36 43.417 12.231 4.275 1.00 34.21 C ATOM 399 CG2 ILE A 36 42.973 9.788 4.849 1.00 36.30 C ATOM 400 CD1 ILE A 36 44.641 11.928 3.462 1.00 34.26 C ATOM 401 H ILE A 36 42.624 13.100 7.590 1.00 0.00 H ATOM 402 N VAL A 37 40.436 9.878 7.017 1.00 35.01 N ATOM 403 CA VAL A 37 40.107 8.757 7.896 1.00 35.95 C ATOM 404 C VAL A 37 39.929 7.455 7.116 1.00 36.87 C ATOM 405 O VAL A 37 39.824 7.443 5.893 1.00 36.40 O ATOM 406 CB VAL A 37 38.818 9.017 8.747 1.00 37.90 C ATOM 407 CG1 VAL A 37 38.993 10.248 9.620 1.00 36.81 C ATOM 408 CG2 VAL A 37 37.561 9.132 7.861 1.00 38.06 C ATOM 409 H VAL A 37 39.814 10.102 6.214 1.00 0.00 H ATOM 410 N LEU A 38 39.925 6.352 7.850 1.00 37.95 N ATOM 411 CA LEU A 38 39.692 5.036 7.279 1.00 39.19 C ATOM 412 C LEU A 38 38.260 4.627 7.618 1.00 41.48 C ATOM 413 O LEU A 38 37.703 5.093 8.613 1.00 42.19 O ATOM 414 CB LEU A 38 40.719 4.051 7.833 1.00 39.22 C ATOM 415 CG LEU A 38 40.822 2.590 7.410 1.00 40.58 C ATOM 416 CD1 LEU A 38 40.917 2.441 5.906 1.00 39.49 C ATOM 417 CD2 LEU A 38 42.048 2.014 8.078 1.00 39.88 C ATOM 418 H LEU A 38 40.095 6.431 8.873 1.00 0.00 H ATOM 419 N LEU A 39 37.639 3.808 6.782 1.00 41.72 N ATOM 420 CA LEU A 39 36.323 3.269 7.118 1.00 42.87 C ATOM 421 C LEU A 39 36.452 1.777 7.381 1.00 44.17 C ATOM 422 O LEU A 39 37.224 1.099 6.706 1.00 43.39 O ATOM 423 CB LEU A 39 35.316 3.521 5.995 1.00 42.65 C ATOM 424 CG LEU A 39 35.153 4.953 5.481 1.00 41.58 C ATOM 425 CD1 LEU A 39 34.122 5.003 4.370 1.00 42.00 C ATOM 426 CD2 LEU A 39 34.761 5.887 6.601 1.00 40.78 C ATOM 427 H LEU A 39 38.090 3.547 5.882 1.00 0.00 H ATOM 428 N ASP A 40 35.704 1.255 8.351 1.00 47.76 N ATOM 429 CA ASP A 40 35.719 -0.187 8.573 1.00 48.15 C ATOM 430 C ASP A 40 34.641 -0.893 7.742 1.00 49.19 C ATOM 431 O ASP A 40 33.944 -0.260 6.936 1.00 48.88 O ATOM 432 CB ASP A 40 35.567 -0.520 10.062 1.00 49.86 C ATOM 433 CG ASP A 40 34.305 0.055 10.677 1.00 50.27 C ATOM 434 OD1 ASP A 40 33.282 0.216 9.969 1.00 49.75 O ATOM 435 OD2 ASP A 40 34.331 0.334 11.897 1.00 51.11 O ATOM 436 H ASP A 40 35.113 1.871 8.946 1.00 0.00 H ATOM 437 N ASP A 41 34.497 -2.199 7.944 1.00 49.07 N ATOM 438 CA ASP A 41 33.584 -2.996 7.132 1.00 49.34 C ATOM 439 C ASP A 41 32.123 -2.617 7.349 1.00 49.67 C ATOM 440 O ASP A 41 31.236 -3.109 6.646 1.00 49.91 O ATOM 441 CB ASP A 41 33.785 -4.490 7.417 1.00 49.47 C ATOM 442 CG ASP A 41 33.895 -4.795 8.896 1.00 50.12 C ATOM 443 OD1 ASP A 41 33.457 -3.964 9.716 1.00 50.79 O ATOM 444 OD2 ASP A 41 34.430 -5.870 9.244 1.00 50.79 O ATOM 445 H ASP A 41 35.046 -2.662 8.696 1.00 0.00 H ATOM 446 N GLU A 42 31.879 -1.743 8.323 1.00 51.42 N ATOM 447 CA GLU A 42 30.530 -1.254 8.603 1.00 52.10 C ATOM 448 C GLU A 42 30.351 0.201 8.163 1.00 51.77 C ATOM 449 O GLU A 42 29.243 0.739 8.205 1.00 51.70 O ATOM 450 CB GLU A 42 30.215 -1.369 10.092 1.00 53.04 C ATOM 451 CG GLU A 42 30.561 -2.713 10.708 1.00 54.46 C ATOM 452 CD GLU A 42 29.835 -2.929 12.020 1.00 56.92 C ATOM 453 OE1 GLU A 42 29.002 -2.064 12.387 1.00 58.56 O ATOM 454 OE2 GLU A 42 30.093 -3.956 12.683 1.00 57.01 O ATOM 455 H GLU A 42 32.671 -1.398 8.902 1.00 0.00 H ATOM 456 N GLY A 43 31.445 0.839 7.765 1.00 49.88 N ATOM 457 CA GLY A 43 31.385 2.204 7.282 1.00 48.53 C ATOM 458 C GLY A 43 31.552 3.264 8.357 1.00 47.87 C ATOM 459 O GLY A 43 31.332 4.440 8.105 1.00 47.92 O ATOM 460 H GLY A 43 32.362 0.350 7.800 1.00 0.00 H ATOM 461 N LYS A 44 31.935 2.859 9.562 1.00 50.50 N ATOM 462 CA LYS A 44 32.230 3.824 10.617 1.00 50.25 C ATOM 463 C LYS A 44 33.680 4.338 10.488 1.00 49.21 C ATOM 464 O LYS A 44 34.583 3.605 10.057 1.00 48.35 O ATOM 465 CB LYS A 44 31.980 3.194 11.997 1.00 52.04 C ATOM 466 CG LYS A 44 32.945 3.646 13.109 1.00 52.15 C ATOM 467 CD LYS A 44 32.749 2.834 14.389 1.00 54.21 C ATOM 468 CE LYS A 44 33.354 3.525 15.618 1.00 54.10 C ATOM 469 NZ LYS A 44 33.342 2.594 16.796 1.00 55.01 N ATOM 470 HZ1 LYS A 44 32.362 2.318 17.008 1.00 0.00 H ATOM 471 HZ2 LYS A 44 33.901 1.746 16.572 1.00 0.00 H ATOM 472 HZ3 LYS A 44 33.754 3.075 17.621 1.00 0.00 H ATOM 473 H LYS A 44 32.026 1.841 9.757 1.00 0.00 H ATOM 474 N GLU A 45 33.897 5.600 10.849 1.00 46.46 N ATOM 475 CA GLU A 45 35.217 6.216 10.710 1.00 45.17 C ATOM 476 C GLU A 45 36.187 5.813 11.817 1.00 45.62 C ATOM 477 O GLU A 45 35.905 5.989 13.004 1.00 46.56 O ATOM 478 CB GLU A 45 35.103 7.738 10.692 1.00 43.78 C ATOM 479 CG GLU A 45 34.278 8.299 9.561 1.00 43.57 C ATOM 480 CD GLU A 45 34.378 9.799 9.515 1.00 43.00 C ATOM 481 OE1 GLU A 45 35.064 10.365 10.394 1.00 43.11 O ATOM 482 OE2 GLU A 45 33.784 10.418 8.606 1.00 43.29 O ATOM 483 H GLU A 45 33.112 6.160 11.238 1.00 0.00 H ATOM 484 N ILE A 46 37.341 5.289 11.419 1.00 42.28 N ATOM 485 CA ILE A 46 38.397 4.992 12.365 1.00 41.97 C ATOM 486 C ILE A 46 39.688 5.659 11.885 1.00 40.44 C ATOM 487 O ILE A 46 39.826 5.954 10.691 1.00 40.34 O ATOM 488 CB ILE A 46 38.587 3.471 12.542 1.00 43.01 C ATOM 489 CG1 ILE A 46 39.156 2.835 11.286 1.00 42.78 C ATOM 490 CG2 ILE A 46 37.265 2.786 12.900 1.00 44.14 C ATOM 491 CD1 ILE A 46 39.393 1.366 11.476 1.00 44.21 C ATOM 492 H ILE A 46 37.489 5.088 10.409 1.00 0.00 H ATOM 493 N PRO A 47 40.622 5.940 12.817 1.00 40.07 N ATOM 494 CA PRO A 47 41.919 6.535 12.456 1.00 38.81 C ATOM 495 C PRO A 47 42.650 5.754 11.362 1.00 38.42 C ATOM 496 O PRO A 47 42.632 4.522 11.393 1.00 39.17 O ATOM 497 CB PRO A 47 42.701 6.480 13.769 1.00 39.16 C ATOM 498 CG PRO A 47 41.642 6.537 14.821 1.00 40.52 C ATOM 499 CD PRO A 47 40.512 5.722 14.274 1.00 41.20 C ATOM 500 N ALA A 48 43.274 6.463 10.421 1.00 35.43 N ATOM 501 CA ALA A 48 43.951 5.836 9.289 1.00 35.28 C ATOM 502 C ALA A 48 45.403 5.472 9.631 1.00 35.32 C ATOM 503 O ALA A 48 46.347 5.954 9.008 1.00 33.42 O ATOM 504 CB ALA A 48 43.906 6.757 8.076 1.00 34.12 C ATOM 505 H ALA A 48 43.279 7.500 10.496 1.00 0.00 H ATOM 506 N THR A 49 45.563 4.604 10.624 1.00 35.29 N ATOM 507 CA THR A 49 46.870 4.201 11.117 1.00 34.82 C ATOM 508 C THR A 49 47.629 3.297 10.140 1.00 34.27 C ATOM 509 O THR A 49 48.781 2.959 10.376 1.00 34.03 O ATOM 510 CB THR A 49 46.736 3.482 12.486 1.00 37.89 C ATOM 511 OG1 THR A 49 45.991 2.262 12.331 1.00 38.42 O ATOM 512 CG2 THR A 49 46.027 4.404 13.489 1.00 38.06 C ATOM 513 HG1 THR A 49 45.911 1.812 13.209 1.00 0.00 H ATOM 514 H THR A 49 44.716 4.195 11.068 1.00 0.00 H ATOM 515 N ILE A 50 46.999 2.927 9.036 1.00 33.27 N ATOM 516 CA ILE A 50 47.681 2.141 8.014 1.00 32.79 C ATOM 517 C ILE A 50 48.700 2.956 7.215 1.00 30.92 C ATOM 518 O ILE A 50 49.476 2.401 6.451 1.00 30.52 O ATOM 519 CB ILE A 50 46.692 1.526 7.038 1.00 33.11 C ATOM 520 CG1 ILE A 50 45.770 2.620 6.473 1.00 32.51 C ATOM 521 CG2 ILE A 50 45.884 0.445 7.739 1.00 34.57 C ATOM 522 CD1 ILE A 50 44.996 2.184 5.244 1.00 32.89 C ATOM 523 H ILE A 50 46.005 3.200 8.896 1.00 0.00 H ATOM 524 N PHE A 51 48.685 4.271 7.388 1.00 32.73 N ATOM 525 CA PHE A 51 49.654 5.143 6.730 1.00 32.40 C ATOM 526 C PHE A 51 50.608 5.653 7.768 1.00 33.00 C ATOM 527 O PHE A 51 50.153 6.086 8.831 1.00 33.36 O ATOM 528 CB PHE A 51 48.979 6.342 6.076 1.00 31.44 C ATOM 529 CG PHE A 51 47.826 5.994 5.178 1.00 31.81 C ATOM 530 CD1 PHE A 51 47.945 4.985 4.232 1.00 31.73 C ATOM 531 CD2 PHE A 51 46.639 6.705 5.260 1.00 31.07 C ATOM 532 CE1 PHE A 51 46.885 4.671 3.391 1.00 32.00 C ATOM 533 CE2 PHE A 51 45.570 6.411 4.424 1.00 31.51 C ATOM 534 CZ PHE A 51 45.680 5.390 3.488 1.00 32.20 C ATOM 535 H PHE A 51 47.964 4.692 8.008 1.00 0.00 H ATOM 536 N ASP A 52 51.914 5.649 7.512 1.00 35.49 N ATOM 537 CA ASP A 52 52.754 6.338 8.499 1.00 36.50 C ATOM 538 C ASP A 52 53.126 7.726 8.015 1.00 35.88 C ATOM 539 O ASP A 52 53.823 8.451 8.716 1.00 37.97 O ATOM 540 CB ASP A 52 54.006 5.529 8.885 1.00 36.87 C ATOM 541 CG ASP A 52 54.876 5.172 7.713 1.00 37.85 C ATOM 542 OD1 ASP A 52 54.757 5.817 6.646 1.00 37.67 O ATOM 543 OD2 ASP A 52 55.695 4.233 7.864 1.00 38.90 O ATOM 544 H ASP A 52 52.313 5.189 6.669 1.00 0.00 H ATOM 545 N LYS A 53 52.621 8.109 6.844 1.00 35.07 N ATOM 546 CA LYS A 53 52.883 9.439 6.301 1.00 35.28 C ATOM 547 C LYS A 53 51.884 9.820 5.213 1.00 35.48 C ATOM 548 O LYS A 53 51.526 8.992 4.391 1.00 35.58 O ATOM 549 CB LYS A 53 54.303 9.499 5.737 1.00 35.59 C ATOM 550 CG LYS A 53 54.741 10.852 5.245 1.00 37.53 C ATOM 551 CD LYS A 53 56.215 11.116 5.588 1.00 39.27 C ATOM 552 CE LYS A 53 57.127 10.574 4.513 1.00 39.88 C ATOM 553 NZ LYS A 53 58.553 11.013 4.678 1.00 39.67 N ATOM 554 HZ1 LYS A 53 58.601 12.051 4.641 1.00 0.00 H ATOM 555 HZ2 LYS A 53 58.913 10.681 5.596 1.00 0.00 H ATOM 556 HZ3 LYS A 53 59.129 10.610 3.912 1.00 0.00 H ATOM 557 H LYS A 53 52.027 7.447 6.305 1.00 0.00 H ATOM 558 N VAL A 54 51.445 11.077 5.213 1.00 33.25 N ATOM 559 CA VAL A 54 50.622 11.625 4.152 1.00 32.86 C ATOM 560 C VAL A 54 51.238 12.922 3.619 1.00 34.21 C ATOM 561 O VAL A 54 51.584 13.809 4.395 1.00 34.25 O ATOM 562 CB VAL A 54 49.198 11.909 4.644 1.00 32.46 C ATOM 563 CG1 VAL A 54 48.472 12.835 3.676 1.00 32.18 C ATOM 564 CG2 VAL A 54 48.433 10.614 4.852 1.00 31.66 C ATOM 565 H VAL A 54 51.704 11.694 6.010 1.00 0.00 H ATOM 566 N ILE A 55 51.375 13.057 2.304 1.00 33.68 N ATOM 567 CA ILE A 55 51.885 14.318 1.773 1.00 34.30 C ATOM 568 C ILE A 55 50.884 14.945 0.829 1.00 34.55 C ATOM 569 O ILE A 55 50.504 14.351 -0.175 1.00 34.63 O ATOM 570 CB ILE A 55 53.233 14.167 1.021 1.00 35.19 C ATOM 571 CG1 ILE A 55 54.215 13.306 1.822 1.00 35.24 C ATOM 572 CG2 ILE A 55 53.823 15.563 0.721 1.00 35.30 C ATOM 573 CD1 ILE A 55 55.586 13.125 1.165 1.00 35.57 C ATOM 574 H ILE A 55 51.123 12.277 1.664 1.00 0.00 H ATOM 575 N TYR A 56 50.447 16.147 1.171 1.00 35.51 N ATOM 576 CA TYR A 56 49.607 16.918 0.283 1.00 35.26 C ATOM 577 C TYR A 56 50.460 17.684 -0.723 1.00 36.86 C ATOM 578 O TYR A 56 51.369 18.445 -0.353 1.00 37.19 O ATOM 579 CB TYR A 56 48.738 17.870 1.077 1.00 35.04 C ATOM 580 CG TYR A 56 47.826 17.190 2.074 1.00 34.11 C ATOM 581 CD1 TYR A 56 46.562 16.738 1.701 1.00 34.09 C ATOM 582 CD2 TYR A 56 48.216 17.017 3.390 1.00 34.12 C ATOM 583 CE1 TYR A 56 45.717 16.136 2.608 1.00 33.22 C ATOM 584 CE2 TYR A 56 47.374 16.407 4.312 1.00 33.56 C ATOM 585 CZ TYR A 56 46.120 15.973 3.911 1.00 33.15 C ATOM 586 OH TYR A 56 45.281 15.376 4.826 1.00 32.46 O ATOM 587 HH TYR A 56 45.095 16.010 5.564 1.00 0.00 H ATOM 588 H TYR A 56 50.713 16.543 2.095 1.00 0.00 H ATOM 589 N HIS A 57 50.173 17.467 -1.999 1.00 38.54 N ATOM 590 CA HIS A 57 50.882 18.179 -3.052 1.00 39.20 C ATOM 591 C HIS A 57 50.005 19.322 -3.543 1.00 39.66 C ATOM 592 O HIS A 57 49.163 19.145 -4.425 1.00 40.13 O ATOM 593 CB HIS A 57 51.259 17.232 -4.196 1.00 39.72 C ATOM 594 CG HIS A 57 52.071 16.053 -3.752 1.00 39.07 C ATOM 595 ND1 HIS A 57 53.335 16.179 -3.221 1.00 38.63 N ATOM 596 CD2 HIS A 57 51.796 14.726 -3.766 1.00 38.39 C ATOM 597 CE1 HIS A 57 53.807 14.980 -2.923 1.00 38.37 C ATOM 598 NE2 HIS A 57 52.891 14.083 -3.240 1.00 38.32 N ATOM 599 H HIS A 57 49.433 16.781 -2.250 1.00 0.00 H ATOM 600 N LEU A 58 50.201 20.491 -2.947 1.00 41.23 N ATOM 601 CA LEU A 58 49.356 21.635 -3.224 1.00 42.22 C ATOM 602 C LEU A 58 49.692 22.298 -4.549 1.00 43.21 C ATOM 603 O LEU A 58 50.754 22.065 -5.127 1.00 43.32 O ATOM 604 CB LEU A 58 49.472 22.655 -2.098 1.00 41.37 C ATOM 605 CG LEU A 58 49.223 22.112 -0.694 1.00 40.76 C ATOM 606 CD1 LEU A 58 49.360 23.226 0.329 1.00 40.79 C ATOM 607 CD2 LEU A 58 47.851 21.441 -0.598 1.00 39.98 C ATOM 608 H LEU A 58 50.980 20.589 -2.265 1.00 0.00 H ATOM 609 N HIS A 59 48.760 23.121 -5.022 1.00 46.95 N ATOM 610 CA HIS A 59 48.956 23.932 -6.207 1.00 47.40 C ATOM 611 C HIS A 59 50.246 24.729 -6.000 1.00 47.46 C ATOM 612 O HIS A 59 50.566 25.103 -4.876 1.00 47.13 O ATOM 613 CB HIS A 59 47.726 24.826 -6.408 1.00 48.39 C ATOM 614 CG HIS A 59 47.713 25.592 -7.695 1.00 50.10 C ATOM 615 ND1 HIS A 59 48.559 26.650 -7.942 1.00 51.22 N ATOM 616 CD2 HIS A 59 46.923 25.475 -8.790 1.00 50.64 C ATOM 617 CE1 HIS A 59 48.307 27.141 -9.144 1.00 52.37 C ATOM 618 NE2 HIS A 59 47.316 26.450 -9.676 1.00 52.47 N ATOM 619 H HIS A 59 47.852 23.185 -4.520 1.00 0.00 H ATOM 620 N PRO A 60 51.023 24.955 -7.070 1.00 50.00 N ATOM 621 CA PRO A 60 52.330 25.594 -6.836 1.00 50.12 C ATOM 622 C PRO A 60 52.279 27.105 -6.517 1.00 50.49 C ATOM 623 O PRO A 60 53.333 27.743 -6.504 1.00 50.32 O ATOM 624 CB PRO A 60 53.074 25.348 -8.154 1.00 51.06 C ATOM 625 CG PRO A 60 51.976 25.181 -9.173 1.00 52.26 C ATOM 626 CD PRO A 60 50.876 24.472 -8.456 1.00 51.13 C ATOM 627 N THR A 61 51.094 27.665 -6.261 1.00 49.91 N ATOM 628 CA THR A 61 51.010 29.059 -5.821 1.00 49.96 C ATOM 629 C THR A 61 51.253 29.169 -4.313 1.00 50.28 C ATOM 630 O THR A 61 51.510 30.260 -3.800 1.00 51.61 O ATOM 631 CB THR A 61 49.642 29.716 -6.161 1.00 51.05 C ATOM 632 OG1 THR A 61 48.562 28.812 -5.864 1.00 49.86 O ATOM 633 CG2 THR A 61 49.587 30.140 -7.638 1.00 51.32 C ATOM 634 HG1 THR A 61 48.666 27.987 -6.402 1.00 0.00 H ATOM 635 H THR A 61 50.224 27.107 -6.375 1.00 0.00 H ATOM 636 N PHE A 62 51.171 28.040 -3.610 1.00 48.53 N ATOM 637 CA PHE A 62 51.487 27.999 -2.184 1.00 47.64 C ATOM 638 C PHE A 62 52.977 27.873 -1.919 1.00 47.60 C ATOM 639 O PHE A 62 53.693 27.154 -2.623 1.00 47.84 O ATOM 640 CB PHE A 62 50.795 26.829 -1.499 1.00 46.10 C ATOM 641 CG PHE A 62 49.315 26.895 -1.542 1.00 46.59 C ATOM 642 CD1 PHE A 62 48.624 26.481 -2.670 1.00 46.92 C ATOM 643 CD2 PHE A 62 48.603 27.352 -0.449 1.00 46.39 C ATOM 644 CE1 PHE A 62 47.248 26.531 -2.719 1.00 46.90 C ATOM 645 CE2 PHE A 62 47.220 27.404 -0.484 1.00 46.95 C ATOM 646 CZ PHE A 62 46.540 26.993 -1.624 1.00 47.03 C ATOM 647 H PHE A 62 50.874 27.166 -4.089 1.00 0.00 H ATOM 648 N ALA A 63 53.429 28.547 -0.869 1.00 49.19 N ATOM 649 CA ALA A 63 54.777 28.340 -0.357 1.00 50.37 C ATOM 650 C ALA A 63 54.935 26.906 0.147 1.00 49.39 C ATOM 651 O ALA A 63 54.089 26.394 0.897 1.00 48.03 O ATOM 652 CB ALA A 63 55.079 29.325 0.747 1.00 50.27 C ATOM 653 H ALA A 63 52.808 29.238 -0.402 1.00 0.00 H ATOM 654 N ASN A 64 56.025 26.272 -0.271 1.00 50.30 N ATOM 655 CA ASN A 64 56.363 24.937 0.199 1.00 49.94 C ATOM 656 C ASN A 64 55.140 24.042 -0.037 1.00 48.17 C ATOM 657 O ASN A 64 54.499 23.568 0.896 1.00 48.16 O ATOM 658 CB ASN A 64 56.806 25.016 1.675 1.00 51.21 C ATOM 659 CG ASN A 64 56.857 23.657 2.378 1.00 51.69 C ATOM 660 OD1 ASN A 64 57.112 22.600 1.755 1.00 52.22 O ATOM 661 ND2 ASN A 64 56.624 23.681 3.697 1.00 51.22 N ATOM 662 HD22 ASN A 64 56.416 24.583 4.172 1.00 0.00 H ATOM 663 HD21 ASN A 64 56.651 22.798 4.246 1.00 0.00 H ATOM 664 H ASN A 64 56.654 26.743 -0.953 1.00 0.00 H ATOM 665 N PRO A 65 54.783 23.857 -1.312 1.00 45.02 N ATOM 666 CA PRO A 65 53.488 23.255 -1.649 1.00 45.25 C ATOM 667 C PRO A 65 53.374 21.764 -1.277 1.00 43.66 C ATOM 668 O PRO A 65 52.282 21.207 -1.356 1.00 44.82 O ATOM 669 CB PRO A 65 53.396 23.453 -3.167 1.00 45.04 C ATOM 670 CG PRO A 65 54.822 23.543 -3.619 1.00 45.85 C ATOM 671 CD PRO A 65 55.582 24.191 -2.507 1.00 45.70 C ATOM 672 N ASN A 66 54.463 21.140 -0.851 1.00 41.15 N ATOM 673 CA ASN A 66 54.397 19.744 -0.426 1.00 41.43 C ATOM 674 C ASN A 66 54.475 19.579 1.080 1.00 41.14 C ATOM 675 O ASN A 66 55.549 19.682 1.688 1.00 41.74 O ATOM 676 CB ASN A 66 55.495 18.959 -1.109 1.00 41.28 C ATOM 677 CG ASN A 66 55.454 19.140 -2.594 1.00 43.06 C ATOM 678 OD1 ASN A 66 54.521 18.675 -3.248 1.00 43.27 O ATOM 679 ND2 ASN A 66 56.439 19.863 -3.142 1.00 44.36 N ATOM 680 HD22 ASN A 66 57.206 20.234 -2.545 1.00 0.00 H ATOM 681 HD21 ASN A 66 56.437 20.054 -4.164 1.00 0.00 H ATOM 682 H ASN A 66 55.370 21.647 -0.819 1.00 0.00 H ATOM 683 N ARG A 67 53.314 19.301 1.663 1.00 40.98 N ATOM 684 CA ARG A 67 53.115 19.315 3.108 1.00 40.74 C ATOM 685 C ARG A 67 52.958 17.908 3.674 1.00 39.92 C ATOM 686 O ARG A 67 52.033 17.180 3.312 1.00 39.46 O ATOM 687 CB ARG A 67 51.880 20.145 3.442 1.00 41.05 C ATOM 688 CG ARG A 67 51.842 21.479 2.733 1.00 41.68 C ATOM 689 CD ARG A 67 52.685 22.509 3.443 1.00 42.28 C ATOM 690 NE ARG A 67 52.716 23.776 2.709 1.00 43.62 N ATOM 691 CZ ARG A 67 51.889 24.800 2.934 1.00 43.62 C ATOM 692 NH1 ARG A 67 51.996 25.924 2.214 1.00 44.21 N ATOM 693 NH2 ARG A 67 50.958 24.703 3.883 1.00 42.05 N ATOM 694 HE ARG A 67 53.431 23.886 1.962 1.00 0.00 H ATOM 695 HH12 ARG A 67 51.350 26.719 2.392 1.00 0.00 H ATOM 696 HH11 ARG A 67 52.725 26.002 1.476 1.00 0.00 H ATOM 697 HH22 ARG A 67 50.312 25.498 4.061 1.00 0.00 H ATOM 698 HH21 ARG A 67 50.877 23.832 4.445 1.00 0.00 H ATOM 699 H ARG A 67 52.504 19.061 1.057 1.00 0.00 H ATOM 700 N THR A 68 53.859 17.558 4.580 1.00 38.58 N ATOM 701 CA THR A 68 53.983 16.216 5.114 1.00 38.95 C ATOM 702 C THR A 68 53.430 16.112 6.524 1.00 39.01 C ATOM 703 O THR A 68 53.789 16.910 7.379 1.00 39.93 O ATOM 704 CB THR A 68 55.461 15.787 5.125 1.00 38.81 C ATOM 705 OG1 THR A 68 55.892 15.542 3.782 1.00 39.51 O ATOM 706 CG2 THR A 68 55.651 14.542 5.964 1.00 37.87 C ATOM 707 HG1 THR A 68 55.790 16.369 3.248 1.00 0.00 H ATOM 708 H THR A 68 54.514 18.287 4.928 1.00 0.00 H ATOM 709 N PHE A 69 52.558 15.133 6.759 1.00 36.30 N ATOM 710 CA PHE A 69 51.962 14.906 8.076 1.00 35.42 C ATOM 711 C PHE A 69 52.143 13.439 8.459 1.00 35.43 C ATOM 712 O PHE A 69 52.147 12.581 7.584 1.00 35.44 O ATOM 713 CB PHE A 69 50.486 15.328 8.061 1.00 35.30 C ATOM 714 CG PHE A 69 50.301 16.794 7.764 1.00 35.87 C ATOM 715 CD1 PHE A 69 50.160 17.240 6.458 1.00 35.48 C ATOM 716 CD2 PHE A 69 50.350 17.735 8.786 1.00 36.45 C ATOM 717 CE1 PHE A 69 50.026 18.596 6.183 1.00 36.46 C ATOM 718 CE2 PHE A 69 50.221 19.100 8.512 1.00 36.61 C ATOM 719 CZ PHE A 69 50.063 19.522 7.211 1.00 36.29 C ATOM 720 H PHE A 69 52.290 14.505 5.975 1.00 0.00 H ATOM 721 N THR A 70 52.315 13.156 9.750 1.00 37.50 N ATOM 722 CA THR A 70 52.657 11.801 10.170 1.00 38.21 C ATOM 723 C THR A 70 51.704 11.210 11.190 1.00 38.08 C ATOM 724 O THR A 70 51.860 10.065 11.589 1.00 38.36 O ATOM 725 CB THR A 70 54.076 11.731 10.787 1.00 39.09 C ATOM 726 OG1 THR A 70 54.152 12.629 11.907 1.00 39.57 O ATOM 727 CG2 THR A 70 55.140 12.089 9.757 1.00 38.51 C ATOM 728 HG1 THR A 70 55.059 12.585 12.303 1.00 0.00 H ATOM 729 H THR A 70 52.205 13.906 10.462 1.00 0.00 H ATOM 730 N ASP A 71 50.747 12.001 11.644 1.00 38.11 N ATOM 731 CA ASP A 71 49.785 11.514 12.616 1.00 38.50 C ATOM 732 C ASP A 71 48.369 11.653 12.070 1.00 38.54 C ATOM 733 O ASP A 71 48.016 12.700 11.541 1.00 38.45 O ATOM 734 CB ASP A 71 49.904 12.272 13.941 1.00 39.71 C ATOM 735 CG ASP A 71 51.332 12.347 14.457 1.00 41.44 C ATOM 736 OD1 ASP A 71 52.006 11.298 14.510 1.00 42.09 O ATOM 737 OD2 ASP A 71 51.770 13.472 14.830 1.00 43.17 O ATOM 738 H ASP A 71 50.683 12.981 11.302 1.00 0.00 H ATOM 739 N PRO A 72 47.559 10.588 12.195 1.00 36.79 N ATOM 740 CA PRO A 72 46.115 10.662 11.943 1.00 36.56 C ATOM 741 C PRO A 72 45.497 11.808 12.750 1.00 37.08 C ATOM 742 O PRO A 72 45.903 12.008 13.892 1.00 37.39 O ATOM 743 CB PRO A 72 45.593 9.305 12.430 1.00 37.72 C ATOM 744 CG PRO A 72 46.783 8.372 12.309 1.00 36.98 C ATOM 745 CD PRO A 72 47.998 9.236 12.599 1.00 36.63 C ATOM 746 N PRO A 73 44.547 12.549 12.162 1.00 36.51 N ATOM 747 CA PRO A 73 44.014 12.329 10.812 1.00 36.24 C ATOM 748 C PRO A 73 44.737 13.089 9.696 1.00 35.05 C ATOM 749 O PRO A 73 44.120 13.359 8.661 1.00 35.24 O ATOM 750 CB PRO A 73 42.573 12.822 10.933 1.00 36.44 C ATOM 751 CG PRO A 73 42.647 13.924 11.987 1.00 36.59 C ATOM 752 CD PRO A 73 43.839 13.637 12.866 1.00 36.38 C ATOM 753 N PHE A 74 46.012 13.410 9.889 1.00 34.52 N ATOM 754 CA PHE A 74 46.800 14.061 8.835 1.00 34.60 C ATOM 755 C PHE A 74 46.131 15.373 8.388 1.00 35.04 C ATOM 756 O PHE A 74 45.934 15.631 7.193 1.00 34.82 O ATOM 757 CB PHE A 74 47.001 13.116 7.638 1.00 33.28 C ATOM 758 CG PHE A 74 47.486 11.733 8.023 1.00 33.87 C ATOM 759 CD1 PHE A 74 48.810 11.518 8.373 1.00 33.89 C ATOM 760 CD2 PHE A 74 46.608 10.645 8.026 1.00 33.70 C ATOM 761 CE1 PHE A 74 49.263 10.247 8.710 1.00 34.12 C ATOM 762 CE2 PHE A 74 47.053 9.362 8.368 1.00 34.33 C ATOM 763 CZ PHE A 74 48.382 9.168 8.708 1.00 33.89 C ATOM 764 H PHE A 74 46.460 13.196 10.803 1.00 0.00 H ATOM 765 N ARG A 75 45.787 16.193 9.370 1.00 37.32 N ATOM 766 CA ARG A 75 45.047 17.420 9.111 1.00 37.33 C ATOM 767 C ARG A 75 45.927 18.530 8.558 1.00 37.70 C ATOM 768 O ARG A 75 46.897 18.928 9.185 1.00 38.61 O ATOM 769 CB ARG A 75 44.368 17.887 10.390 1.00 37.81 C ATOM 770 CG ARG A 75 43.504 19.105 10.200 1.00 39.01 C ATOM 771 CD ARG A 75 42.926 19.547 11.519 1.00 40.00 C ATOM 772 NE ARG A 75 42.460 20.931 11.451 1.00 42.24 N ATOM 773 CZ ARG A 75 41.275 21.304 10.957 1.00 42.34 C ATOM 774 NH1 ARG A 75 40.437 20.387 10.468 1.00 43.05 N ATOM 775 NH2 ARG A 75 40.927 22.590 10.948 1.00 41.63 N ATOM 776 HE ARG A 75 43.092 21.674 11.811 1.00 0.00 H ATOM 777 HH12 ARG A 75 39.515 20.677 10.084 1.00 0.00 H ATOM 778 HH11 ARG A 75 40.706 19.382 10.471 1.00 0.00 H ATOM 779 HH22 ARG A 75 40.004 22.876 10.563 1.00 0.00 H ATOM 780 HH21 ARG A 75 41.578 23.308 11.326 1.00 0.00 H ATOM 781 H ARG A 75 46.051 15.955 10.347 1.00 0.00 H ATOM 782 N ILE A 76 45.600 19.014 7.371 1.00 35.76 N ATOM 783 CA ILE A 76 46.251 20.207 6.845 1.00 36.51 C ATOM 784 C ILE A 76 45.258 21.362 6.826 1.00 36.91 C ATOM 785 O ILE A 76 44.057 21.151 6.637 1.00 36.24 O ATOM 786 CB ILE A 76 46.838 19.987 5.414 1.00 36.34 C ATOM 787 CG1 ILE A 76 47.559 21.251 4.931 1.00 36.76 C ATOM 788 CG2 ILE A 76 45.761 19.545 4.430 1.00 35.27 C ATOM 789 CD1 ILE A 76 48.277 21.089 3.614 1.00 37.59 C ATOM 790 H ILE A 76 44.869 18.537 6.806 1.00 0.00 H ATOM 791 N GLU A 77 45.774 22.567 7.057 1.00 44.00 N ATOM 792 CA GLU A 77 45.007 23.809 6.987 1.00 45.07 C ATOM 793 C GLU A 77 45.761 24.871 6.195 1.00 45.19 C ATOM 794 O GLU A 77 46.948 25.092 6.425 1.00 45.05 O ATOM 795 CB GLU A 77 44.726 24.360 8.376 1.00 44.88 C ATOM 796 CG GLU A 77 43.818 23.527 9.214 1.00 46.53 C ATOM 797 CD GLU A 77 43.505 24.221 10.519 1.00 48.76 C ATOM 798 OE1 GLU A 77 43.687 23.572 11.577 1.00 49.37 O ATOM 799 OE2 GLU A 77 43.097 25.417 10.488 1.00 49.65 O ATOM 800 H GLU A 77 46.783 22.628 7.302 1.00 0.00 H ATOM 801 N GLU A 78 45.067 25.539 5.282 1.00 42.00 N ATOM 802 CA GLU A 78 45.684 26.596 4.495 1.00 42.72 C ATOM 803 C GLU A 78 44.699 27.707 4.227 1.00 43.03 C ATOM 804 O GLU A 78 43.554 27.630 4.643 1.00 42.21 O ATOM 805 CB GLU A 78 46.218 26.054 3.176 1.00 43.13 C ATOM 806 CG GLU A 78 47.680 25.727 3.235 1.00 44.49 C ATOM 807 CD GLU A 78 48.553 26.959 3.392 1.00 44.70 C ATOM 808 OE1 GLU A 78 48.097 28.083 3.096 1.00 44.59 O ATOM 809 OE2 GLU A 78 49.708 26.793 3.822 1.00 44.92 O ATOM 810 H GLU A 78 44.066 25.303 5.127 1.00 0.00 H ATOM 811 N GLN A 79 45.162 28.743 3.541 1.00 43.94 N ATOM 812 CA GLN A 79 44.289 29.819 3.099 1.00 44.49 C ATOM 813 C GLN A 79 44.512 30.022 1.611 1.00 45.37 C ATOM 814 O GLN A 79 45.649 29.986 1.142 1.00 45.85 O ATOM 815 CB GLN A 79 44.557 31.115 3.865 1.00 45.26 C ATOM 816 CG GLN A 79 44.797 30.937 5.355 1.00 45.47 C ATOM 817 CD GLN A 79 45.048 32.266 6.073 1.00 46.75 C ATOM 818 OE1 GLN A 79 45.111 33.332 5.449 1.00 47.30 O ATOM 819 NE2 GLN A 79 45.181 32.204 7.399 1.00 47.29 N ATOM 820 HE22 GLN A 79 45.121 31.287 7.885 1.00 0.00 H ATOM 821 HE21 GLN A 79 45.344 33.073 7.946 1.00 0.00 H ATOM 822 H GLN A 79 46.176 28.787 3.313 1.00 0.00 H ATOM 823 N GLY A 80 43.438 30.219 0.862 1.00 42.70 N ATOM 824 CA GLY A 80 43.575 30.408 -0.565 1.00 43.55 C ATOM 825 C GLY A 80 42.333 31.004 -1.174 1.00 44.15 C ATOM 826 O GLY A 80 41.301 31.073 -0.525 1.00 43.63 O ATOM 827 H GLY A 80 42.495 30.238 1.300 1.00 0.00 H ATOM 828 N TRP A 81 42.452 31.412 -2.433 1.00 45.05 N ATOM 829 CA TRP A 81 41.403 32.134 -3.137 1.00 46.22 C ATOM 830 C TRP A 81 40.703 31.252 -4.166 1.00 45.81 C ATOM 831 O TRP A 81 39.613 31.581 -4.639 1.00 45.95 O ATOM 832 CB TRP A 81 41.991 33.375 -3.825 1.00 48.12 C ATOM 833 CG TRP A 81 43.021 33.059 -4.895 1.00 49.24 C ATOM 834 CD1 TRP A 81 42.771 32.662 -6.180 1.00 50.01 C ATOM 835 CD2 TRP A 81 44.456 33.123 -4.771 1.00 50.08 C ATOM 836 NE1 TRP A 81 43.955 32.470 -6.860 1.00 50.55 N ATOM 837 CE2 TRP A 81 45.003 32.749 -6.019 1.00 50.58 C ATOM 838 CE3 TRP A 81 45.330 33.464 -3.730 1.00 50.52 C ATOM 839 CZ2 TRP A 81 46.384 32.705 -6.254 1.00 50.75 C ATOM 840 CZ3 TRP A 81 46.705 33.422 -3.967 1.00 50.99 C ATOM 841 CH2 TRP A 81 47.214 33.041 -5.217 1.00 51.00 C ATOM 842 HE1 TRP A 81 44.040 32.163 -7.850 1.00 0.00 H ATOM 843 H TRP A 81 43.337 31.206 -2.939 1.00 0.00 H ATOM 844 N GLY A 82 41.334 30.133 -4.511 1.00 47.24 N ATOM 845 CA GLY A 82 40.842 29.273 -5.573 1.00 47.48 C ATOM 846 C GLY A 82 40.824 27.791 -5.280 1.00 46.37 C ATOM 847 O GLY A 82 41.658 27.274 -4.537 1.00 45.52 O ATOM 848 H GLY A 82 42.204 29.867 -4.006 1.00 0.00 H ATOM 849 N GLY A 83 39.864 27.095 -5.872 1.00 48.10 N ATOM 850 CA GLY A 83 39.856 25.644 -5.828 1.00 47.82 C ATOM 851 C GLY A 83 40.827 25.047 -6.833 1.00 47.80 C ATOM 852 O GLY A 83 41.215 25.707 -7.788 1.00 49.01 O ATOM 853 H GLY A 83 39.105 27.596 -6.376 1.00 0.00 H ATOM 854 N PHE A 84 41.210 23.792 -6.633 1.00 46.93 N ATOM 855 CA PHE A 84 42.157 23.116 -7.523 1.00 47.85 C ATOM 856 C PHE A 84 42.181 21.622 -7.267 1.00 47.36 C ATOM 857 O PHE A 84 41.974 21.181 -6.135 1.00 45.94 O ATOM 858 CB PHE A 84 43.572 23.674 -7.343 1.00 46.71 C ATOM 859 CG PHE A 84 44.060 23.627 -5.922 1.00 46.03 C ATOM 860 CD1 PHE A 84 43.731 24.638 -5.027 1.00 46.79 C ATOM 861 CD2 PHE A 84 44.844 22.581 -5.479 1.00 46.37 C ATOM 862 CE1 PHE A 84 44.176 24.611 -3.708 1.00 45.84 C ATOM 863 CE2 PHE A 84 45.305 22.543 -4.158 1.00 46.09 C ATOM 864 CZ PHE A 84 44.967 23.565 -3.272 1.00 46.36 C ATOM 865 H PHE A 84 40.826 23.272 -5.819 1.00 0.00 H ATOM 866 N PRO A 85 42.441 20.829 -8.316 1.00 48.12 N ATOM 867 CA PRO A 85 42.740 19.420 -8.049 1.00 47.87 C ATOM 868 C PRO A 85 44.106 19.342 -7.369 1.00 47.79 C ATOM 869 O PRO A 85 44.973 20.168 -7.662 1.00 49.17 O ATOM 870 CB PRO A 85 42.748 18.783 -9.444 1.00 48.75 C ATOM 871 CG PRO A 85 43.125 19.914 -10.364 1.00 49.66 C ATOM 872 CD PRO A 85 42.579 21.180 -9.742 1.00 49.01 C ATOM 873 N LEU A 86 44.287 18.409 -6.447 1.00 46.69 N ATOM 874 CA LEU A 86 45.579 18.241 -5.795 1.00 46.30 C ATOM 875 C LEU A 86 45.792 16.748 -5.617 1.00 46.68 C ATOM 876 O LEU A 86 44.822 15.978 -5.594 1.00 47.00 O ATOM 877 CB LEU A 86 45.642 19.000 -4.454 1.00 45.50 C ATOM 878 CG LEU A 86 44.957 18.595 -3.130 1.00 43.88 C ATOM 879 CD1 LEU A 86 45.862 17.743 -2.237 1.00 41.31 C ATOM 880 CD2 LEU A 86 44.522 19.825 -2.343 1.00 44.63 C ATOM 881 H LEU A 86 43.496 17.787 -6.185 1.00 0.00 H ATOM 882 N ASP A 87 47.046 16.315 -5.538 1.00 46.03 N ATOM 883 CA ASP A 87 47.302 14.905 -5.281 1.00 43.85 C ATOM 884 C ASP A 87 47.682 14.748 -3.830 1.00 40.96 C ATOM 885 O ASP A 87 48.458 15.544 -3.290 1.00 41.11 O ATOM 886 CB ASP A 87 48.389 14.347 -6.199 1.00 45.18 C ATOM 887 CG ASP A 87 47.835 13.898 -7.540 1.00 46.98 C ATOM 888 OD1 ASP A 87 46.955 14.613 -8.058 1.00 48.39 O ATOM 889 OD2 ASP A 87 48.229 12.821 -8.061 1.00 46.47 O ATOM 890 H ASP A 87 47.838 16.978 -5.659 1.00 0.00 H ATOM 891 N ILE A 88 47.077 13.755 -3.191 1.00 35.83 N ATOM 892 CA ILE A 88 47.414 13.406 -1.829 1.00 35.06 C ATOM 893 C ILE A 88 48.178 12.098 -1.852 1.00 35.63 C ATOM 894 O ILE A 88 47.605 11.063 -2.163 1.00 35.75 O ATOM 895 CB ILE A 88 46.169 13.239 -0.938 1.00 34.74 C ATOM 896 CG1 ILE A 88 45.191 14.404 -1.135 1.00 35.16 C ATOM 897 CG2 ILE A 88 46.580 13.055 0.520 1.00 33.33 C ATOM 898 CD1 ILE A 88 44.015 14.339 -0.220 1.00 34.60 C ATOM 899 H ILE A 88 46.339 13.212 -3.684 1.00 0.00 H ATOM 900 N SER A 89 49.463 12.135 -1.543 1.00 33.57 N ATOM 901 CA SER A 89 50.229 10.904 -1.432 1.00 33.43 C ATOM 902 C SER A 89 50.063 10.294 -0.054 1.00 33.08 C ATOM 903 O SER A 89 50.335 10.941 0.956 1.00 33.90 O ATOM 904 CB SER A 89 51.702 11.162 -1.713 1.00 33.50 C ATOM 905 OG SER A 89 51.902 11.305 -3.101 1.00 35.47 O ATOM 906 HG SER A 89 52.861 11.473 -3.279 1.00 0.00 H ATOM 907 H SER A 89 49.929 13.050 -1.378 1.00 0.00 H ATOM 908 N VAL A 90 49.606 9.055 -0.002 1.00 30.68 N ATOM 909 CA VAL A 90 49.561 8.343 1.269 1.00 30.27 C ATOM 910 C VAL A 90 50.584 7.215 1.236 1.00 30.22 C ATOM 911 O VAL A 90 50.701 6.503 0.253 1.00 30.46 O ATOM 912 CB VAL A 90 48.155 7.804 1.579 1.00 29.65 C ATOM 913 CG1 VAL A 90 47.152 8.960 1.627 1.00 29.50 C ATOM 914 CG2 VAL A 90 47.716 6.780 0.543 1.00 29.86 C ATOM 915 H VAL A 90 49.278 8.587 -0.871 1.00 0.00 H ATOM 916 N PHE A 91 51.345 7.078 2.313 1.00 31.63 N ATOM 917 CA PHE A 91 52.406 6.078 2.390 1.00 31.35 C ATOM 918 C PHE A 91 52.028 4.985 3.380 1.00 31.36 C ATOM 919 O PHE A 91 51.910 5.244 4.587 1.00 31.84 O ATOM 920 CB PHE A 91 53.726 6.728 2.799 1.00 32.49 C ATOM 921 CG PHE A 91 54.347 7.562 1.714 1.00 32.95 C ATOM 922 CD1 PHE A 91 53.972 8.890 1.536 1.00 33.24 C ATOM 923 CD2 PHE A 91 55.303 7.017 0.864 1.00 33.38 C ATOM 924 CE1 PHE A 91 54.535 9.664 0.529 1.00 33.45 C ATOM 925 CE2 PHE A 91 55.875 7.785 -0.150 1.00 34.52 C ATOM 926 CZ PHE A 91 55.486 9.121 -0.313 1.00 33.73 C ATOM 927 H PHE A 91 51.181 7.702 3.128 1.00 0.00 H ATOM 928 N LEU A 92 51.819 3.771 2.863 1.00 30.34 N ATOM 929 CA LEU A 92 51.502 2.625 3.699 1.00 30.27 C ATOM 930 C LEU A 92 52.631 2.316 4.665 1.00 30.94 C ATOM 931 O LEU A 92 53.807 2.549 4.371 1.00 31.09 O ATOM 932 CB LEU A 92 51.197 1.410 2.833 1.00 30.20 C ATOM 933 CG LEU A 92 49.897 1.609 2.057 1.00 30.72 C ATOM 934 CD1 LEU A 92 49.831 0.647 0.870 1.00 31.02 C ATOM 935 CD2 LEU A 92 48.706 1.413 2.982 1.00 29.97 C ATOM 936 H LEU A 92 51.885 3.642 1.833 1.00 0.00 H ATOM 937 N LEU A 93 52.259 1.800 5.828 1.00 29.56 N ATOM 938 CA LEU A 93 53.222 1.312 6.815 1.00 30.20 C ATOM 939 C LEU A 93 54.219 0.377 6.174 1.00 30.34 C ATOM 940 O LEU A 93 53.919 -0.245 5.150 1.00 30.38 O ATOM 941 CB LEU A 93 52.519 0.569 7.964 1.00 30.55 C ATOM 942 CG LEU A 93 51.592 1.262 8.961 1.00 31.91 C ATOM 943 CD1 LEU A 93 51.206 0.262 10.040 1.00 32.50 C ATOM 944 CD2 LEU A 93 52.239 2.514 9.575 1.00 31.28 C ATOM 945 H LEU A 93 51.244 1.740 6.047 1.00 0.00 H ATOM 946 N GLU A 94 55.388 0.252 6.802 1.00 30.99 N ATOM 947 CA GLU A 94 56.387 -0.749 6.403 1.00 31.17 C ATOM 948 C GLU A 94 56.827 -0.622 4.954 1.00 31.63 C ATOM 949 O GLU A 94 57.137 -1.643 4.304 1.00 31.28 O ATOM 950 CB GLU A 94 55.846 -2.173 6.634 1.00 31.82 C ATOM 951 CG GLU A 94 55.568 -2.515 8.084 1.00 33.32 C ATOM 952 CD GLU A 94 56.825 -2.429 8.932 1.00 33.57 C ATOM 953 OE1 GLU A 94 57.421 -3.479 9.210 1.00 33.18 O ATOM 954 OE2 GLU A 94 57.228 -1.301 9.298 1.00 33.07 O ATOM 955 H GLU A 94 55.600 0.884 7.601 1.00 0.00 H ATOM 956 N LYS A 95 56.845 0.614 4.450 1.00 34.11 N ATOM 957 CA LYS A 95 57.216 0.854 3.057 1.00 35.15 C ATOM 958 C LYS A 95 56.379 0.062 2.064 1.00 34.99 C ATOM 959 O LYS A 95 56.873 -0.291 0.991 1.00 34.60 O ATOM 960 CB LYS A 95 58.674 0.491 2.815 1.00 35.37 C ATOM 961 CG LYS A 95 59.678 1.453 3.364 1.00 37.36 C ATOM 962 CD LYS A 95 61.056 1.093 2.772 1.00 38.67 C ATOM 963 CE LYS A 95 62.038 0.680 3.834 1.00 38.81 C ATOM 964 NZ LYS A 95 62.372 1.877 4.676 1.00 39.03 N ATOM 965 HZ1 LYS A 95 62.791 2.616 4.076 1.00 0.00 H ATOM 966 HZ2 LYS A 95 61.504 2.240 5.120 1.00 0.00 H ATOM 967 HZ3 LYS A 95 63.051 1.602 5.414 1.00 0.00 H ATOM 968 H LYS A 95 56.591 1.419 5.058 1.00 0.00 H ATOM 969 N ALA A 96 55.133 -0.242 2.418 1.00 32.39 N ATOM 970 CA ALA A 96 54.348 -1.151 1.598 1.00 31.32 C ATOM 971 C ALA A 96 53.958 -0.510 0.274 1.00 32.00 C ATOM 972 O ALA A 96 53.585 -1.213 -0.660 1.00 32.54 O ATOM 973 CB ALA A 96 53.122 -1.605 2.335 1.00 31.28 C ATOM 974 H ALA A 96 54.721 0.170 3.280 1.00 0.00 H ATOM 975 N GLY A 97 54.032 0.817 0.192 1.00 31.23 N ATOM 976 CA GLY A 97 53.746 1.507 -1.056 1.00 31.49 C ATOM 977 C GLY A 97 53.134 2.894 -0.916 1.00 31.17 C ATOM 978 O GLY A 97 52.438 3.194 0.061 1.00 30.52 O ATOM 979 H GLY A 97 54.298 1.368 1.033 1.00 0.00 H ATOM 980 N GLU A 98 53.417 3.744 -1.899 1.00 33.55 N ATOM 981 CA GLU A 98 52.799 5.056 -1.990 1.00 33.42 C ATOM 982 C GLU A 98 51.548 4.973 -2.851 1.00 33.40 C ATOM 983 O GLU A 98 51.568 4.322 -3.884 1.00 34.03 O ATOM 984 CB GLU A 98 53.774 6.085 -2.587 1.00 34.18 C ATOM 985 CG GLU A 98 53.132 7.474 -2.820 1.00 35.89 C ATOM 986 CD GLU A 98 54.007 8.423 -3.628 1.00 36.67 C ATOM 987 OE1 GLU A 98 55.007 7.973 -4.218 1.00 37.29 O ATOM 988 OE2 GLU A 98 53.691 9.630 -3.684 1.00 36.20 O ATOM 989 H GLU A 98 54.104 3.460 -2.627 1.00 0.00 H ATOM 990 N ARG A 99 50.465 5.619 -2.432 1.00 35.80 N ATOM 991 CA ARG A 99 49.263 5.744 -3.263 1.00 35.82 C ATOM 992 C ARG A 99 48.932 7.217 -3.514 1.00 36.46 C ATOM 993 O ARG A 99 48.837 8.007 -2.577 1.00 36.02 O ATOM 994 CB ARG A 99 48.065 5.051 -2.604 1.00 35.86 C ATOM 995 CG ARG A 99 48.253 3.567 -2.288 1.00 35.95 C ATOM 996 CD ARG A 99 48.227 2.718 -3.544 1.00 36.54 C ATOM 997 NE ARG A 99 48.426 1.309 -3.209 1.00 37.28 N ATOM 998 CZ ARG A 99 49.609 0.696 -3.208 1.00 37.83 C ATOM 999 NH1 ARG A 99 50.718 1.364 -3.538 1.00 38.20 N ATOM 1000 NH2 ARG A 99 49.689 -0.590 -2.881 1.00 37.09 N ATOM 1001 HE ARG A 99 47.588 0.748 -2.954 1.00 0.00 H ATOM 1002 HH12 ARG A 99 51.638 0.879 -3.535 1.00 0.00 H ATOM 1003 HH11 ARG A 99 50.662 2.369 -3.798 1.00 0.00 H ATOM 1004 HH22 ARG A 99 50.612 -1.070 -2.880 1.00 0.00 H ATOM 1005 HH21 ARG A 99 48.829 -1.116 -2.626 1.00 0.00 H ATOM 1006 H ARG A 99 50.470 6.049 -1.485 1.00 0.00 H ATOM 1007 N LYS A 100 48.759 7.594 -4.776 1.00 39.57 N ATOM 1008 CA LYS A 100 48.402 8.970 -5.091 1.00 40.73 C ATOM 1009 C LYS A 100 46.899 9.116 -5.295 1.00 41.92 C ATOM 1010 O LYS A 100 46.352 8.723 -6.323 1.00 42.99 O ATOM 1011 CB LYS A 100 49.150 9.454 -6.320 1.00 41.82 C ATOM 1012 CG LYS A 100 50.616 9.705 -6.048 1.00 43.67 C ATOM 1013 CD LYS A 100 51.091 10.994 -6.712 1.00 45.09 C ATOM 1014 CE LYS A 100 52.266 10.745 -7.645 1.00 45.92 C ATOM 1015 NZ LYS A 100 52.697 12.056 -8.224 1.00 48.17 N ATOM 1016 HZ1 LYS A 100 51.906 12.477 -8.752 1.00 0.00 H ATOM 1017 HZ2 LYS A 100 52.982 12.696 -7.455 1.00 0.00 H ATOM 1018 HZ3 LYS A 100 53.501 11.903 -8.865 1.00 0.00 H ATOM 1019 H LYS A 100 48.879 6.902 -5.543 1.00 0.00 H ATOM 1020 N ILE A 101 46.241 9.684 -4.295 1.00 42.01 N ATOM 1021 CA ILE A 101 44.802 9.839 -4.312 1.00 41.70 C ATOM 1022 C ILE A 101 44.424 11.237 -4.788 1.00 42.57 C ATOM 1023 O ILE A 101 44.848 12.241 -4.207 1.00 41.81 O ATOM 1024 CB ILE A 101 44.196 9.570 -2.917 1.00 41.55 C ATOM 1025 CG1 ILE A 101 44.311 8.086 -2.576 1.00 41.82 C ATOM 1026 CG2 ILE A 101 42.737 9.987 -2.874 1.00 42.54 C ATOM 1027 CD1 ILE A 101 44.872 7.808 -1.222 1.00 41.43 C ATOM 1028 H ILE A 101 46.775 10.029 -3.472 1.00 0.00 H ATOM 1029 N PRO A 102 43.628 11.294 -5.869 1.00 46.40 N ATOM 1030 CA PRO A 102 43.103 12.527 -6.479 1.00 48.14 C ATOM 1031 C PRO A 102 42.088 13.242 -5.600 1.00 46.98 C ATOM 1032 O PRO A 102 40.998 12.721 -5.360 1.00 47.99 O ATOM 1033 CB PRO A 102 42.427 12.021 -7.763 1.00 49.32 C ATOM 1034 CG PRO A 102 42.029 10.606 -7.441 1.00 48.09 C ATOM 1035 CD PRO A 102 43.125 10.080 -6.550 1.00 46.13 C ATOM 1036 N HIS A 103 42.424 14.423 -5.113 1.00 43.60 N ATOM 1037 CA HIS A 103 41.417 15.178 -4.397 1.00 43.30 C ATOM 1038 C HIS A 103 41.106 16.424 -5.183 1.00 43.92 C ATOM 1039 O HIS A 103 41.892 16.872 -6.019 1.00 44.66 O ATOM 1040 CB HIS A 103 41.865 15.538 -2.985 1.00 41.73 C ATOM 1041 CG HIS A 103 40.772 16.108 -2.135 1.00 41.17 C ATOM 1042 ND1 HIS A 103 39.525 15.525 -2.036 1.00 41.81 N ATOM 1043 CD2 HIS A 103 40.735 17.208 -1.341 1.00 41.58 C ATOM 1044 CE1 HIS A 103 38.773 16.232 -1.212 1.00 41.79 C ATOM 1045 NE2 HIS A 103 39.484 17.262 -0.778 1.00 41.44 N ATOM 1046 H HIS A 103 43.385 14.800 -5.240 1.00 0.00 H ATOM 1047 N ASP A 104 39.932 16.972 -4.931 1.00 43.07 N ATOM 1048 CA ASP A 104 39.608 18.266 -5.483 1.00 43.81 C ATOM 1049 C ASP A 104 39.258 19.191 -4.343 1.00 42.94 C ATOM 1050 O ASP A 104 38.316 18.940 -3.603 1.00 42.78 O ATOM 1051 CB ASP A 104 38.467 18.165 -6.475 1.00 43.93 C ATOM 1052 CG ASP A 104 38.334 19.397 -7.293 1.00 45.81 C ATOM 1053 OD1 ASP A 104 39.114 19.534 -8.261 1.00 46.77 O ATOM 1054 OD2 ASP A 104 37.460 20.232 -6.952 1.00 45.42 O ATOM 1055 H ASP A 104 39.241 16.472 -4.336 1.00 0.00 H ATOM 1056 N LEU A 105 40.064 20.226 -4.172 1.00 41.41 N ATOM 1057 CA LEU A 105 39.800 21.236 -3.163 1.00 40.69 C ATOM 1058 C LEU A 105 38.879 22.274 -3.800 1.00 41.97 C ATOM 1059 O LEU A 105 39.261 22.948 -4.751 1.00 43.15 O ATOM 1060 CB LEU A 105 41.106 21.859 -2.661 1.00 41.65 C ATOM 1061 CG LEU A 105 41.127 22.871 -1.505 1.00 41.98 C ATOM 1062 CD1 LEU A 105 40.737 24.284 -1.965 1.00 42.64 C ATOM 1063 CD2 LEU A 105 40.242 22.407 -0.351 1.00 40.47 C ATOM 1064 H LEU A 105 40.907 20.318 -4.775 1.00 0.00 H ATOM 1065 N ASN A 106 37.650 22.373 -3.313 1.00 40.62 N ATOM 1066 CA ASN A 106 36.740 23.351 -3.885 1.00 41.90 C ATOM 1067 C ASN A 106 35.830 23.976 -2.839 1.00 42.12 C ATOM 1068 O ASN A 106 35.770 23.514 -1.697 1.00 41.82 O ATOM 1069 CB ASN A 106 35.913 22.723 -5.010 1.00 42.79 C ATOM 1070 CG ASN A 106 35.018 21.606 -4.525 1.00 43.71 C ATOM 1071 OD1 ASN A 106 33.942 21.852 -3.973 1.00 43.61 O ATOM 1072 ND2 ASN A 106 35.455 20.357 -4.743 1.00 43.27 N ATOM 1073 HD22 ASN A 106 36.370 20.201 -5.213 1.00 0.00 H ATOM 1074 HD21 ASN A 106 34.879 19.545 -4.443 1.00 0.00 H ATOM 1075 H ASN A 106 37.341 21.759 -2.532 1.00 0.00 H ATOM 1076 N PHE A 107 35.139 25.037 -3.241 1.00 43.68 N ATOM 1077 CA PHE A 107 34.370 25.865 -2.316 1.00 44.24 C ATOM 1078 C PHE A 107 32.880 25.702 -2.575 1.00 45.47 C ATOM 1079 O PHE A 107 32.079 26.576 -2.271 1.00 45.87 O ATOM 1080 CB PHE A 107 34.774 27.333 -2.451 1.00 43.24 C ATOM 1081 CG PHE A 107 36.249 27.555 -2.367 1.00 43.53 C ATOM 1082 CD1 PHE A 107 37.024 26.819 -1.475 1.00 42.65 C ATOM 1083 CD2 PHE A 107 36.871 28.495 -3.180 1.00 43.93 C ATOM 1084 CE1 PHE A 107 38.397 27.016 -1.391 1.00 42.36 C ATOM 1085 CE2 PHE A 107 38.243 28.707 -3.102 1.00 43.98 C ATOM 1086 CZ PHE A 107 39.012 27.960 -2.205 1.00 43.64 C ATOM 1087 H PHE A 107 35.146 25.287 -4.251 1.00 0.00 H ATOM 1088 N LEU A 108 32.527 24.561 -3.147 1.00 47.55 N ATOM 1089 CA LEU A 108 31.149 24.275 -3.484 1.00 49.32 C ATOM 1090 C LEU A 108 30.280 24.142 -2.236 1.00 49.36 C ATOM 1091 O LEU A 108 29.147 24.599 -2.216 1.00 50.86 O ATOM 1092 CB LEU A 108 31.091 23.006 -4.332 1.00 49.52 C ATOM 1093 CG LEU A 108 31.753 23.237 -5.695 1.00 49.76 C ATOM 1094 CD1 LEU A 108 31.971 21.916 -6.450 1.00 49.83 C ATOM 1095 CD2 LEU A 108 30.934 24.249 -6.533 1.00 50.18 C ATOM 1096 H LEU A 108 33.258 23.853 -3.359 1.00 0.00 H ATOM 1097 N GLN A 109 30.807 23.502 -1.204 1.00 50.30 N ATOM 1098 CA GLN A 109 30.120 23.425 0.071 1.00 49.71 C ATOM 1099 C GLN A 109 31.050 23.859 1.184 1.00 48.86 C ATOM 1100 O GLN A 109 32.267 23.744 1.063 1.00 48.22 O ATOM 1101 CB GLN A 109 29.653 22.013 0.375 1.00 49.89 C ATOM 1102 CG GLN A 109 29.225 21.181 -0.812 1.00 51.04 C ATOM 1103 CD GLN A 109 28.387 19.996 -0.371 1.00 53.37 C ATOM 1104 OE1 GLN A 109 27.275 20.172 0.144 1.00 55.08 O ATOM 1105 NE2 GLN A 109 28.921 18.784 -0.544 1.00 53.24 N ATOM 1106 HE22 GLN A 109 29.859 18.687 -0.982 1.00 0.00 H ATOM 1107 HE21 GLN A 109 28.399 17.937 -0.241 1.00 0.00 H ATOM 1108 H GLN A 109 31.735 23.044 -1.310 1.00 0.00 H ATOM 1109 N GLU A 110 30.458 24.332 2.273 1.00 48.39 N ATOM 1110 CA GLU A 110 31.181 24.539 3.528 1.00 48.13 C ATOM 1111 C GLU A 110 31.977 23.303 3.969 1.00 47.01 C ATOM 1112 O GLU A 110 33.100 23.409 4.474 1.00 45.73 O ATOM 1113 CB GLU A 110 30.180 24.950 4.607 1.00 49.11 C ATOM 1114 CG GLU A 110 30.821 25.341 5.928 1.00 50.68 C ATOM 1115 CD GLU A 110 29.804 25.931 6.897 1.00 53.21 C ATOM 1116 OE1 GLU A 110 28.798 26.530 6.422 1.00 54.18 O ATOM 1117 OE2 GLU A 110 30.025 25.827 8.129 1.00 54.22 O ATOM 1118 H GLU A 110 29.445 24.564 2.233 1.00 0.00 H ATOM 1119 N SER A 111 31.408 22.123 3.760 1.00 44.82 N ATOM 1120 CA SER A 111 32.135 20.876 3.999 1.00 44.60 C ATOM 1121 C SER A 111 31.629 19.752 3.112 1.00 45.81 C ATOM 1122 O SER A 111 30.466 19.756 2.688 1.00 46.57 O ATOM 1123 CB SER A 111 32.033 20.439 5.460 1.00 45.07 C ATOM 1124 OG SER A 111 30.755 19.905 5.719 1.00 45.53 O ATOM 1125 HG SER A 111 30.601 19.121 5.134 1.00 0.00 H ATOM 1126 H SER A 111 30.426 22.084 3.420 1.00 0.00 H ATOM 1127 N TYR A 112 32.507 18.794 2.827 1.00 41.36 N ATOM 1128 CA TYR A 112 32.128 17.665 1.995 1.00 41.25 C ATOM 1129 C TYR A 112 33.104 16.516 2.174 1.00 41.44 C ATOM 1130 O TYR A 112 34.271 16.726 2.501 1.00 40.69 O ATOM 1131 CB TYR A 112 32.059 18.073 0.522 1.00 41.39 C ATOM 1132 CG TYR A 112 33.364 18.584 -0.048 1.00 40.80 C ATOM 1133 CD1 TYR A 112 33.725 19.919 0.094 1.00 40.86 C ATOM 1134 CD2 TYR A 112 34.221 17.744 -0.746 1.00 40.28 C ATOM 1135 CE1 TYR A 112 34.915 20.407 -0.431 1.00 39.96 C ATOM 1136 CE2 TYR A 112 35.428 18.216 -1.271 1.00 40.00 C ATOM 1137 CZ TYR A 112 35.767 19.551 -1.112 1.00 40.09 C ATOM 1138 OH TYR A 112 36.938 20.050 -1.626 1.00 39.26 O ATOM 1139 HH TYR A 112 36.945 19.926 -2.608 1.00 0.00 H ATOM 1140 H TYR A 112 33.475 18.854 3.204 1.00 0.00 H ATOM 1141 N GLU A 113 32.623 15.297 1.952 1.00 40.93 N ATOM 1142 CA GLU A 113 33.452 14.111 2.121 1.00 40.51 C ATOM 1143 C GLU A 113 33.483 13.260 0.852 1.00 41.35 C ATOM 1144 O GLU A 113 32.462 13.087 0.185 1.00 42.64 O ATOM 1145 CB GLU A 113 32.955 13.273 3.303 1.00 41.07 C ATOM 1146 CG GLU A 113 33.075 13.954 4.662 1.00 40.84 C ATOM 1147 CD GLU A 113 31.948 14.931 4.942 1.00 41.88 C ATOM 1148 OE1 GLU A 113 30.835 14.743 4.405 1.00 43.62 O ATOM 1149 OE2 GLU A 113 32.175 15.892 5.703 1.00 41.72 O ATOM 1150 H GLU A 113 31.634 15.187 1.651 1.00 0.00 H ATOM 1151 N VAL A 114 34.660 12.728 0.527 1.00 41.43 N ATOM 1152 CA VAL A 114 34.829 11.884 -0.660 1.00 41.58 C ATOM 1153 C VAL A 114 35.536 10.581 -0.328 1.00 42.52 C ATOM 1154 O VAL A 114 36.567 10.567 0.352 1.00 41.02 O ATOM 1155 CB VAL A 114 35.637 12.573 -1.774 1.00 41.27 C ATOM 1156 CG1 VAL A 114 35.737 11.654 -2.987 1.00 41.75 C ATOM 1157 CG2 VAL A 114 35.021 13.910 -2.161 1.00 41.85 C ATOM 1158 H VAL A 114 35.484 12.917 1.133 1.00 0.00 H ATOM 1159 N GLU A 115 35.012 9.481 -0.849 1.00 42.80 N ATOM 1160 CA GLU A 115 35.589 8.195 -0.540 1.00 42.20 C ATOM 1161 C GLU A 115 36.390 7.635 -1.709 1.00 42.97 C ATOM 1162 O GLU A 115 36.018 7.772 -2.882 1.00 43.99 O ATOM 1163 CB GLU A 115 34.478 7.264 -0.091 1.00 43.43 C ATOM 1164 CG GLU A 115 33.544 8.015 0.831 1.00 44.85 C ATOM 1165 CD GLU A 115 32.518 7.144 1.482 1.00 47.01 C ATOM 1166 OE1 GLU A 115 32.368 5.964 1.065 1.00 48.03 O ATOM 1167 OE2 GLU A 115 31.850 7.651 2.415 1.00 47.64 O ATOM 1168 H GLU A 115 34.187 9.544 -1.479 1.00 0.00 H ATOM 1169 N HIS A 116 37.530 7.052 -1.364 1.00 42.13 N ATOM 1170 CA HIS A 116 38.397 6.406 -2.330 1.00 41.56 C ATOM 1171 C HIS A 116 38.695 4.980 -1.888 1.00 41.32 C ATOM 1172 O HIS A 116 38.935 4.724 -0.712 1.00 40.68 O ATOM 1173 CB HIS A 116 39.696 7.190 -2.512 1.00 39.37 C ATOM 1174 CG HIS A 116 39.492 8.546 -3.109 1.00 40.62 C ATOM 1175 ND1 HIS A 116 39.380 8.749 -4.470 1.00 41.66 N ATOM 1176 CD2 HIS A 116 39.358 9.767 -2.534 1.00 40.23 C ATOM 1177 CE1 HIS A 116 39.191 10.036 -4.706 1.00 41.77 C ATOM 1178 NE2 HIS A 116 39.173 10.676 -3.548 1.00 41.43 N ATOM 1179 H HIS A 116 37.813 7.058 -0.363 1.00 0.00 H ATOM 1180 N VAL A 117 38.643 4.057 -2.842 1.00 38.90 N ATOM 1181 CA VAL A 117 39.047 2.679 -2.602 1.00 39.25 C ATOM 1182 C VAL A 117 40.524 2.487 -2.953 1.00 38.20 C ATOM 1183 O VAL A 117 40.928 2.742 -4.092 1.00 37.27 O ATOM 1184 CB VAL A 117 38.227 1.673 -3.434 1.00 39.95 C ATOM 1185 CG1 VAL A 117 38.733 0.287 -3.162 1.00 40.06 C ATOM 1186 CG2 VAL A 117 36.753 1.755 -3.109 1.00 41.76 C ATOM 1187 H VAL A 117 38.304 4.327 -3.788 1.00 0.00 H ATOM 1188 N ILE A 118 41.326 2.036 -1.992 1.00 38.78 N ATOM 1189 CA ILE A 118 42.708 1.644 -2.294 1.00 37.56 C ATOM 1190 C ILE A 118 42.956 0.109 -2.054 1.00 37.54 C ATOM 1191 O ILE A 118 42.355 -0.482 -1.159 1.00 38.02 O ATOM 1192 CB ILE A 118 43.739 2.499 -1.470 1.00 36.09 C ATOM 1193 CG1 ILE A 118 43.645 2.194 0.015 1.00 35.70 C ATOM 1194 CG2 ILE A 118 43.559 3.990 -1.722 1.00 35.87 C ATOM 1195 CD1 ILE A 118 44.712 2.863 0.849 1.00 34.87 C ATOM 1196 H ILE A 118 40.970 1.960 -1.018 1.00 0.00 H ATOM 1197 N GLN A 119 43.757 -0.515 -2.926 1.00 41.72 N ATOM 1198 CA GLN A 119 44.442 -1.808 -2.728 1.00 42.00 C ATOM 1199 C GLN A 119 45.715 -1.755 -1.920 1.00 40.43 C ATOM 1200 O GLN A 119 46.693 -1.055 -2.248 1.00 40.72 O ATOM 1201 CB GLN A 119 44.729 -2.428 -4.085 1.00 41.87 C ATOM 1202 CG GLN A 119 43.716 -3.334 -4.540 1.00 44.46 C ATOM 1203 CD GLN A 119 43.791 -3.533 -6.089 1.00 46.82 C ATOM 1204 OE1 GLN A 119 44.387 -2.733 -6.819 1.00 47.19 O ATOM 1205 NE2 GLN A 119 43.161 -4.614 -6.520 1.00 48.74 N ATOM 1206 HE22 GLN A 119 42.681 -5.241 -5.843 1.00 0.00 H ATOM 1207 HE21 GLN A 119 43.146 -4.837 -7.536 1.00 0.00 H ATOM 1208 H GLN A 119 43.913 -0.040 -3.838 1.00 0.00 H ATOM 1209 N ILE A 120 45.706 -2.592 -0.900 1.00 35.48 N ATOM 1210 CA ILE A 120 46.793 -2.671 0.037 1.00 34.78 C ATOM 1211 C ILE A 120 47.340 -4.098 0.074 1.00 35.99 C ATOM 1212 O ILE A 120 46.575 -5.047 0.218 1.00 36.52 O ATOM 1213 CB ILE A 120 46.314 -2.255 1.419 1.00 36.21 C ATOM 1214 CG1 ILE A 120 45.689 -0.842 1.375 1.00 35.95 C ATOM 1215 CG2 ILE A 120 47.439 -2.388 2.420 1.00 35.48 C ATOM 1216 CD1 ILE A 120 44.876 -0.500 2.590 1.00 35.98 C ATOM 1217 H ILE A 120 44.884 -3.216 -0.770 1.00 0.00 H ATOM 1218 N PRO A 121 48.668 -4.257 -0.059 1.00 35.34 N ATOM 1219 CA PRO A 121 49.257 -5.604 -0.039 1.00 35.59 C ATOM 1220 C PRO A 121 49.201 -6.241 1.351 1.00 36.10 C ATOM 1221 O PRO A 121 49.041 -5.563 2.369 1.00 35.92 O ATOM 1222 CB PRO A 121 50.702 -5.368 -0.485 1.00 35.24 C ATOM 1223 CG PRO A 121 50.968 -3.955 -0.181 1.00 34.85 C ATOM 1224 CD PRO A 121 49.674 -3.207 -0.293 1.00 33.75 C ATOM 1225 N LEU A 122 49.304 -7.563 1.370 1.00 37.49 N ATOM 1226 CA LEU A 122 49.222 -8.324 2.607 1.00 37.69 C ATOM 1227 C LEU A 122 50.539 -9.008 2.956 1.00 38.24 C ATOM 1228 O LEU A 122 50.538 -10.076 3.564 1.00 38.45 O ATOM 1229 CB LEU A 122 48.118 -9.366 2.501 1.00 37.79 C ATOM 1230 CG LEU A 122 46.739 -8.807 2.147 1.00 39.15 C ATOM 1231 CD1 LEU A 122 45.808 -9.954 1.725 1.00 39.65 C ATOM 1232 CD2 LEU A 122 46.154 -8.049 3.313 1.00 39.87 C ATOM 1233 H LEU A 122 49.448 -8.071 0.474 1.00 0.00 H ATOM 1234 N ASN A 123 51.664 -8.407 2.586 1.00 35.71 N ATOM 1235 CA ASN A 123 52.927 -9.087 2.800 1.00 35.90 C ATOM 1236 C ASN A 123 53.829 -8.435 3.836 1.00 36.46 C ATOM 1237 O ASN A 123 54.966 -8.836 3.982 1.00 36.90 O ATOM 1238 CB ASN A 123 53.664 -9.205 1.470 1.00 36.46 C ATOM 1239 CG ASN A 123 54.000 -7.860 0.873 1.00 36.20 C ATOM 1240 OD1 ASN A 123 53.500 -6.829 1.316 1.00 35.93 O ATOM 1241 ND2 ASN A 123 54.836 -7.864 -0.151 1.00 36.90 N ATOM 1242 HD22 ASN A 123 55.235 -8.761 -0.493 1.00 0.00 H ATOM 1243 HD21 ASN A 123 55.094 -6.970 -0.615 1.00 0.00 H ATOM 1244 H ASN A 123 51.640 -7.463 2.150 1.00 0.00 H ATOM 1245 N LYS A 124 53.336 -7.426 4.546 1.00 35.01 N ATOM 1246 CA LYS A 124 54.112 -6.805 5.616 1.00 34.32 C ATOM 1247 C LYS A 124 53.393 -6.997 6.938 1.00 35.15 C ATOM 1248 O LYS A 124 52.341 -6.406 7.161 1.00 36.28 O ATOM 1249 CB LYS A 124 54.340 -5.310 5.355 1.00 34.25 C ATOM 1250 CG LYS A 124 54.933 -4.973 3.990 1.00 34.10 C ATOM 1251 CD LYS A 124 56.385 -5.434 3.835 1.00 34.45 C ATOM 1252 CE LYS A 124 56.970 -4.945 2.486 1.00 35.50 C ATOM 1253 NZ LYS A 124 58.036 -5.872 1.951 1.00 37.79 N ATOM 1254 HZ1 LYS A 124 58.816 -5.934 2.636 1.00 0.00 H ATOM 1255 HZ2 LYS A 124 57.629 -6.817 1.801 1.00 0.00 H ATOM 1256 HZ3 LYS A 124 58.395 -5.501 1.048 1.00 0.00 H ATOM 1257 H LYS A 124 52.381 -7.072 4.336 1.00 0.00 H ATOM 1258 N PRO A 125 53.948 -7.837 7.814 1.00 33.93 N ATOM 1259 CA PRO A 125 53.236 -8.214 9.043 1.00 35.06 C ATOM 1260 C PRO A 125 52.612 -7.069 9.845 1.00 35.45 C ATOM 1261 O PRO A 125 51.449 -7.213 10.213 1.00 37.28 O ATOM 1262 CB PRO A 125 54.324 -8.937 9.845 1.00 35.32 C ATOM 1263 CG PRO A 125 55.085 -9.668 8.765 1.00 33.73 C ATOM 1264 CD PRO A 125 55.090 -8.737 7.558 1.00 33.18 C ATOM 1265 N LEU A 126 53.315 -5.966 10.087 1.00 33.33 N ATOM 1266 CA LEU A 126 52.747 -4.892 10.920 1.00 33.91 C ATOM 1267 C LEU A 126 51.561 -4.187 10.225 1.00 33.79 C ATOM 1268 O LEU A 126 50.590 -3.725 10.872 1.00 34.75 O ATOM 1269 CB LEU A 126 53.832 -3.870 11.296 1.00 33.17 C ATOM 1270 CG LEU A 126 54.898 -4.288 12.313 1.00 34.04 C ATOM 1271 CD1 LEU A 126 55.773 -3.110 12.704 1.00 34.16 C ATOM 1272 CD2 LEU A 126 54.266 -4.934 13.563 1.00 35.57 C ATOM 1273 H LEU A 126 54.269 -5.861 9.687 1.00 0.00 H ATOM 1274 N LEU A 127 51.642 -4.118 8.901 1.00 32.52 N ATOM 1275 CA LEU A 127 50.571 -3.530 8.129 1.00 32.21 C ATOM 1276 C LEU A 127 49.374 -4.485 8.075 1.00 33.32 C ATOM 1277 O LEU A 127 48.248 -4.055 8.159 1.00 33.73 O ATOM 1278 CB LEU A 127 51.048 -3.175 6.729 1.00 31.22 C ATOM 1279 CG LEU A 127 49.951 -2.643 5.803 1.00 31.04 C ATOM 1280 CD1 LEU A 127 49.323 -1.329 6.289 1.00 30.95 C ATOM 1281 CD2 LEU A 127 50.501 -2.500 4.405 1.00 30.57 C ATOM 1282 H LEU A 127 52.483 -4.490 8.416 1.00 0.00 H ATOM 1283 N THR A 128 49.620 -5.781 7.948 1.00 35.65 N ATOM 1284 CA THR A 128 48.531 -6.751 7.957 1.00 36.76 C ATOM 1285 C THR A 128 47.796 -6.707 9.301 1.00 38.34 C ATOM 1286 O THR A 128 46.546 -6.639 9.356 1.00 38.91 O ATOM 1287 CB THR A 128 49.077 -8.140 7.669 1.00 36.77 C ATOM 1288 OG1 THR A 128 49.832 -8.078 6.449 1.00 35.40 O ATOM 1289 CG2 THR A 128 47.949 -9.174 7.530 1.00 37.33 C ATOM 1290 HG1 THR A 128 50.576 -7.434 6.555 1.00 0.00 H ATOM 1291 H THR A 128 50.601 -6.110 7.841 1.00 0.00 H ATOM 1292 N GLU A 129 48.585 -6.675 10.377 1.00 39.17 N ATOM 1293 CA GLU A 129 48.033 -6.545 11.723 1.00 41.11 C ATOM 1294 C GLU A 129 47.226 -5.268 11.887 1.00 41.92 C ATOM 1295 O GLU A 129 46.168 -5.266 12.520 1.00 42.69 O ATOM 1296 CB GLU A 129 49.140 -6.581 12.771 1.00 41.57 C ATOM 1297 CG GLU A 129 49.824 -7.910 12.840 1.00 41.77 C ATOM 1298 CD GLU A 129 50.341 -8.212 14.219 1.00 43.51 C ATOM 1299 OE1 GLU A 129 50.311 -7.276 15.062 1.00 44.01 O ATOM 1300 OE2 GLU A 129 50.756 -9.380 14.455 1.00 44.43 O ATOM 1301 H GLU A 129 49.615 -6.744 10.254 1.00 0.00 H ATOM 1302 N GLU A 130 47.710 -4.178 11.313 1.00 39.54 N ATOM 1303 CA GLU A 130 46.962 -2.933 11.434 1.00 39.60 C ATOM 1304 C GLU A 130 45.672 -2.974 10.604 1.00 40.07 C ATOM 1305 O GLU A 130 44.619 -2.492 11.036 1.00 40.65 O ATOM 1306 CB GLU A 130 47.836 -1.757 11.018 1.00 37.82 C ATOM 1307 CG GLU A 130 47.401 -0.447 11.620 1.00 38.19 C ATOM 1308 CD GLU A 130 47.602 -0.402 13.118 1.00 39.44 C ATOM 1309 OE1 GLU A 130 48.469 -1.153 13.630 1.00 39.53 O ATOM 1310 OE2 GLU A 130 46.888 0.385 13.772 1.00 40.31 O ATOM 1311 H GLU A 130 48.606 -4.209 10.786 1.00 0.00 H ATOM 1312 N LEU A 131 45.762 -3.555 9.415 1.00 39.12 N ATOM 1313 CA LEU A 131 44.620 -3.747 8.537 1.00 39.97 C ATOM 1314 C LEU A 131 43.521 -4.558 9.205 1.00 41.65 C ATOM 1315 O LEU A 131 42.343 -4.386 8.879 1.00 41.94 O ATOM 1316 CB LEU A 131 45.037 -4.449 7.241 1.00 37.88 C ATOM 1317 CG LEU A 131 45.719 -3.613 6.173 1.00 36.24 C ATOM 1318 CD1 LEU A 131 46.230 -4.531 5.107 1.00 34.35 C ATOM 1319 CD2 LEU A 131 44.741 -2.617 5.588 1.00 35.49 C ATOM 1320 H LEU A 131 46.694 -3.889 9.096 1.00 0.00 H ATOM 1321 N ALA A 132 43.890 -5.454 10.121 1.00 44.21 N ATOM 1322 CA ALA A 132 42.842 -6.225 10.817 1.00 45.58 C ATOM 1323 C ALA A 132 41.792 -5.367 11.556 1.00 47.33 C ATOM 1324 O ALA A 132 40.675 -5.836 11.790 1.00 48.28 O ATOM 1325 CB ALA A 132 43.472 -7.209 11.800 1.00 46.38 C ATOM 1326 H ALA A 132 44.895 -5.606 10.340 1.00 0.00 H ATOM 1327 N LYS A 133 42.120 -4.122 11.915 1.00 46.14 N ATOM 1328 CA LYS A 133 41.178 -3.288 12.679 1.00 46.73 C ATOM 1329 C LYS A 133 40.038 -2.693 11.855 1.00 46.86 C ATOM 1330 O LYS A 133 39.041 -2.242 12.415 1.00 48.04 O ATOM 1331 CB LYS A 133 41.891 -2.121 13.355 1.00 46.90 C ATOM 1332 CG LYS A 133 43.138 -2.434 14.175 1.00 47.35 C ATOM 1333 CD LYS A 133 43.802 -1.086 14.523 1.00 46.25 C ATOM 1334 CE LYS A 133 44.916 -1.188 15.548 1.00 45.84 C ATOM 1335 NZ LYS A 133 45.535 0.175 15.726 1.00 45.05 N ATOM 1336 HZ1 LYS A 133 45.920 0.501 14.816 1.00 0.00 H ATOM 1337 HZ2 LYS A 133 44.810 0.843 16.057 1.00 0.00 H ATOM 1338 HZ3 LYS A 133 46.301 0.118 16.427 1.00 0.00 H ATOM 1339 H LYS A 133 43.050 -3.739 11.652 1.00 0.00 H ATOM 1340 N SER A 134 40.195 -2.644 10.537 1.00 46.66 N ATOM 1341 CA SER A 134 39.210 -1.987 9.692 1.00 46.07 C ATOM 1342 C SER A 134 38.415 -2.985 8.865 1.00 46.00 C ATOM 1343 O SER A 134 37.559 -2.607 8.073 1.00 47.01 O ATOM 1344 CB SER A 134 39.884 -0.981 8.761 1.00 44.57 C ATOM 1345 OG SER A 134 40.847 -1.620 7.941 1.00 43.31 O ATOM 1346 HG SER A 134 41.538 -2.040 8.512 1.00 0.00 H ATOM 1347 H SER A 134 41.033 -3.081 10.103 1.00 0.00 H ATOM 1348 N GLY A 135 38.691 -4.267 9.029 1.00 45.92 N ATOM 1349 CA GLY A 135 37.910 -5.255 8.317 1.00 46.53 C ATOM 1350 C GLY A 135 38.665 -6.534 8.112 1.00 45.79 C ATOM 1351 O GLY A 135 39.746 -6.719 8.662 1.00 45.63 O ATOM 1352 H GLY A 135 39.461 -4.562 9.663 1.00 0.00 H ATOM 1353 N SER A 136 38.081 -7.425 7.319 1.00 47.46 N ATOM 1354 CA SER A 136 38.708 -8.709 7.053 1.00 47.38 C ATOM 1355 C SER A 136 39.948 -8.522 6.191 1.00 46.08 C ATOM 1356 O SER A 136 40.086 -7.531 5.467 1.00 44.87 O ATOM 1357 CB SER A 136 37.723 -9.680 6.379 1.00 47.52 C ATOM 1358 OG SER A 136 37.105 -9.103 5.242 1.00 47.50 O ATOM 1359 HG SER A 136 36.481 -9.758 4.839 1.00 0.00 H ATOM 1360 H SER A 136 37.164 -7.201 6.883 1.00 0.00 H ATOM 1361 N THR A 137 40.851 -9.488 6.298 1.00 47.79 N ATOM 1362 CA THR A 137 42.069 -9.524 5.515 1.00 46.60 C ATOM 1363 C THR A 137 42.235 -10.903 4.881 1.00 46.46 C ATOM 1364 O THR A 137 41.933 -11.935 5.493 1.00 47.63 O ATOM 1365 CB THR A 137 43.290 -9.203 6.381 1.00 46.25 C ATOM 1366 OG1 THR A 137 43.298 -10.073 7.519 1.00 47.68 O ATOM 1367 CG2 THR A 137 43.244 -7.768 6.861 1.00 44.91 C ATOM 1368 OXT THR A 137 42.676 -11.020 3.733 1.00 45.98 O ATOM 1369 HG1 THR A 137 43.343 -11.014 7.214 1.00 0.00 H ATOM 1370 H THR A 137 40.676 -10.256 6.977 1.00 0.00 H TER 1371 THR A 137 HETATM 1372 O HOH 1 44.919 2.221 16.397 1.00 48.60 O HETATM 1373 O HOH 2 55.458 -7.655 16.792 1.00 44.59 O HETATM 1374 O HOH 3 48.880 30.063 1.982 1.00 47.13 O HETATM 1375 O HOH 4 51.897 8.942 15.086 1.00 48.10 O HETATM 1376 O HOH 5 30.493 6.685 8.622 1.00 46.80 O HETATM 1377 O HOH 6 31.763 12.737 7.399 1.00 46.94 O HETATM 1378 O HOH 7 34.212 17.248 5.966 1.00 41.66 O HETATM 1379 O HOH 8 35.507 -3.963 11.099 1.00 51.02 O HETATM 1380 O HOH 9 35.316 17.672 8.467 1.00 45.49 O HETATM 1381 O HOH 10 51.659 -2.091 -3.358 1.00 42.50 O HETATM 1382 O HOH 11 37.295 0.070 4.402 1.00 43.43 O HETATM 1383 O HOH 12 36.905 -2.365 5.202 1.00 48.01 O HETATM 1384 O HOH 13 56.019 13.882 13.093 1.00 42.85 O HETATM 1385 O HOH 14 50.976 -4.835 15.411 1.00 44.36 O HETATM 1386 O HOH 15 38.644 37.352 2.183 1.00 38.77 O HETATM 1387 O HOH 16 30.012 5.265 6.030 1.00 46.97 O HETATM 1388 O HOH 17 54.585 -3.575 -1.105 1.00 35.17 O HETATM 1389 O HOH 18 38.182 35.229 10.559 1.00 46.88 O HETATM 1390 O HOH 19 46.565 -14.015 -11.767 1.00 53.49 O HETATM 1391 O HOH 20 57.113 17.663 2.850 1.00 42.58 O HETATM 1392 O HOH 21 56.201 3.128 5.537 1.00 29.89 O HETATM 1393 O HOH 22 30.766 10.634 0.928 1.00 48.63 O HETATM 1394 O HOH 23 50.791 -3.112 13.418 1.00 38.37 O HETATM 1395 O HOH 24 50.290 3.349 12.533 1.00 37.93 O HETATM 1396 O HOH 25 46.700 14.502 14.371 1.00 44.05 O HETATM 1397 O HOH 26 54.950 3.228 2.064 1.00 30.16 O HETATM 1398 O HOH 27 50.752 32.813 -3.919 1.00 49.74 O HETATM 1399 O HOH 28 41.809 -5.432 -8.668 1.00 57.04 O HETATM 1400 O HOH 29 55.200 8.144 10.987 1.00 44.55 O HETATM 1401 O HOH 30 38.473 13.156 -2.834 1.00 45.18 O HETATM 1402 O HOH 31 59.823 -1.070 8.648 1.00 38.52 O HETATM 1403 O HOH 32 38.483 13.599 10.979 1.00 45.57 O HETATM 1404 O HOH 33 48.180 -14.227 -8.800 1.00 52.51 O HETATM 1405 O HOH 34 55.863 1.319 9.240 1.00 38.71 O HETATM 1406 O HOH 35 45.595 12.190 -8.067 1.00 48.22 O HETATM 1407 O HOH 36 50.902 7.552 11.257 1.00 40.33 O HETATM 1408 O HOH 37 38.779 18.585 7.175 1.00 40.36 O HETATM 1409 O HOH 38 43.630 1.500 11.209 1.00 41.22 O HETATM 1410 O HOH 39 42.837 9.313 10.614 1.00 36.27 O HETATM 1411 O HOH 40 42.324 -6.389 -4.172 1.00 47.99 O HETATM 1412 O HOH 41 55.887 -5.892 9.165 1.00 32.59 O HETATM 1413 O HOH 42 51.648 -10.124 6.423 1.00 40.25 O HETATM 1414 O HOH 43 36.543 15.889 0.917 1.00 37.23 O HETATM 1415 O HOH 44 46.506 15.942 12.061 1.00 36.23 O HETATM 1416 O HOH 45 50.907 -9.258 -0.743 1.00 37.66 O HETATM 1417 O HOH 46 34.761 5.487 -3.896 1.00 48.96 O HETATM 1418 O HOH 47 50.793 -6.131 4.677 1.00 33.28 O HETATM 1419 O HOH 48 54.926 11.336 -5.535 1.00 41.17 O HETATM 1420 O HOH 49 46.098 34.338 3.017 1.00 47.41 O HETATM 1421 O HOH 50 35.587 25.935 -5.867 1.00 44.17 O HETATM 1422 O HOH 51 49.555 15.051 11.341 1.00 36.89 O HETATM 1423 O HOH 52 42.796 -0.713 9.821 1.00 41.40 O HETATM 1424 O HOH 53 50.791 22.920 6.083 1.00 41.33 O HETATM 1425 O HOH 54 27.784 20.421 3.398 1.00 51.20 O HETATM 1426 O HOH 55 43.011 27.549 -2.022 1.00 44.81 O HETATM 1427 O HOH 56 31.788 6.880 12.307 1.00 50.91 O HETATM 1428 O HOH 57 37.671 5.034 -5.370 1.00 41.15 O HETATM 1429 O HOH 58 33.149 1.247 1.724 1.00 52.10 O HETATM 1430 O HOH 59 52.652 19.890 -5.220 1.00 44.05 O HETATM 1431 O HOH 60 29.579 17.167 5.382 1.00 47.67 O HETATM 1432 O HOH 61 63.812 -2.069 2.863 1.00 48.22 O HETATM 1433 O HOH 62 54.990 12.027 -2.627 1.00 37.96 O HETATM 1434 O HOH 63 32.307 30.885 3.902 1.00 41.59 O HETATM 1435 O HOH 64 48.333 5.212 -6.459 1.00 40.81 O HETATM 1436 O HOH 65 57.937 21.841 -0.978 1.00 47.86 O HETATM 1437 O HOH 66 54.701 24.641 5.738 1.00 45.65 O HETATM 1438 O HOH 67 52.232 15.461 11.622 1.00 39.58 O HETATM 1439 O HOH 68 44.128 36.196 9.293 1.00 48.52 O HETATM 1440 O HOH 69 33.252 1.818 -0.890 1.00 51.12 O HETATM 1441 O HOH 70 45.073 -6.705 -11.287 1.00 55.01 O HETATM 1442 O HOH 71 50.600 20.645 -7.805 1.00 50.60 O HETATM 1443 O HOH 72 37.017 10.332 12.719 1.00 46.09 O HETATM 1444 O HOH 73 47.782 10.742 15.957 1.00 44.63 O HETATM 1445 O HOH 74 45.255 39.188 0.619 1.00 46.68 O HETATM 1446 O HOH 75 45.254 1.331 -4.965 1.00 40.99 O HETATM 1447 O HOH 76 55.247 26.487 4.475 1.00 51.24 O HETATM 1448 O HOH 77 38.691 14.380 -6.928 1.00 51.65 O HETATM 1449 O HOH 78 41.192 -9.251 10.127 1.00 48.31 O HETATM 1450 O HOH 79 51.253 29.910 1.185 1.00 48.82 O HETATM 1451 O HOH 80 38.543 8.358 13.647 1.00 45.45 O HETATM 1452 O HOH 81 34.312 -0.323 3.612 1.00 51.30 O HETATM 1453 O HOH 82 53.682 32.038 -1.977 1.00 57.38 O HETATM 1454 O HOH 83 40.126 15.546 -8.583 1.00 47.51 O HETATM 1455 O HOH 84 32.097 14.396 9.343 1.00 50.61 O HETATM 1456 O HOH 85 36.320 25.434 8.026 1.00 48.35 O HETATM 1457 O HOH 86 38.737 25.591 8.223 1.00 44.57 O HETATM 1458 O HOH 87 30.252 11.200 9.371 1.00 50.91 O HETATM 1459 O HOH 88 56.972 4.426 3.328 1.00 35.54 O HETATM 1460 O HOH 89 36.649 -5.326 12.754 1.00 53.01 O HETATM 1461 O HOH 90 47.184 36.238 3.682 1.00 47.56 O HETATM 1462 O HOH 91 30.817 8.216 10.908 1.00 54.62 O HETATM 1463 O HOH 92 42.431 10.254 15.021 1.00 42.92 O HETATM 1464 O HOH 93 33.293 4.004 -2.362 1.00 51.50 O HETATM 1465 O HOH 94 41.308 9.976 12.771 1.00 37.83 O HETATM 1466 O HOH 95 51.316 1.794 13.894 1.00 41.78 O HETATM 1467 O HOH 96 53.076 -5.174 17.302 1.00 45.05 O HETATM 1468 O HOH 97 32.589 5.664 -3.979 1.00 55.96 O HETATM 1469 O HOH 98 53.908 7.990 16.367 1.00 49.43 O HETATM 1470 O HOH 99 44.406 4.144 16.834 1.00 48.45 O HETATM 1471 O HOH 100 57.017 13.234 -4.185 1.00 45.55 O HETATM 1472 O HOH 101 31.542 0.329 3.286 1.00 56.17 O HETATM 1473 O HOH 102 52.824 -12.148 7.315 1.00 41.22 O HETATM 1474 O HOH 103 55.739 31.845 -3.589 1.00 59.78 O HETATM 1475 O HOH 104 39.181 12.143 12.942 1.00 43.13 O HETATM 1476 O HOH 105 36.817 -6.559 14.862 1.00 57.78 O HETATM 1477 O HOH 106 40.897 -10.940 12.034 1.00 60.26 O HETATM 1478 O HOH 107 46.612 42.397 0.112 1.00 54.91 O HETATM 1479 O HOH 108 31.064 31.041 -7.786 1.00 49.31 O HETATM 1480 O HOH 109 48.659 23.307 -17.593 1.00 52.79 O HETATM 1481 O HOH 110 37.591 30.657 -11.027 1.00 51.52 O HETATM 1482 O HOH 111 33.924 25.398 -10.091 1.00 51.33 O HETATM 1483 O HOH 112 34.779 23.996 -7.760 1.00 46.44 O HETATM 1484 O HOH 113 35.929 29.587 -12.210 1.00 53.77 O HETATM 1485 C ACE A 114 32.839 31.156 -4.994 1.00 0.18 C HETATM 1486 O ACE A 114 33.981 30.703 -4.895 1.00 -0.40 O HETATM 1487 CH3 ACE A 114 32.612 32.630 -5.282 1.00 0.03 C HETATM 1488 H1 ACE A 114 31.532 32.832 -5.332 1.00 0.05 H HETATM 1489 H2 ACE A 114 33.078 32.892 -6.243 1.00 0.05 H HETATM 1490 H3 ACE A 114 33.061 33.234 -4.480 1.00 0.05 H HETATM 1491 N ACE A 114 31.748 30.406 -4.873 1.00 -0.27 N HETATM 1492 CA ACE A 114 31.831 28.981 -4.547 1.00 0.13 C HETATM 1493 C ACE A 114 32.400 28.123 -5.685 1.00 0.20 C HETATM 1494 O ACE A 114 32.894 27.010 -5.445 1.00 -0.39 O HETATM 1495 N ACE A 114 32.357 28.642 -6.911 1.00 -0.26 N HETATM 1496 CA ACE A 114 32.946 27.928 -8.046 1.00 0.16 C HETATM 1497 C ACE A 114 34.337 28.439 -8.419 1.00 0.21 C HETATM 1498 O ACE A 114 34.876 28.048 -9.460 1.00 -0.39 O HETATM 1499 N ACE A 114 34.911 29.305 -7.584 1.00 -0.26 N HETATM 1500 CA ACE A 114 36.255 29.833 -7.836 1.00 0.13 C HETATM 1501 C ACE A 114 37.313 28.715 -7.927 1.00 0.20 C HETATM 1502 O ACE A 114 37.409 27.869 -7.042 1.00 -0.39 O HETATM 1503 N ACE A 114 38.088 28.717 -9.014 1.00 -0.26 N HETATM 1504 CA ACE A 114 39.130 27.714 -9.248 1.00 0.13 C HETATM 1505 C ACE A 114 40.403 28.299 -9.869 1.00 0.20 C HETATM 1506 O ACE A 114 40.354 29.317 -10.546 1.00 -0.39 O HETATM 1507 N ACE A 114 41.528 27.619 -9.648 1.00 -0.26 N HETATM 1508 CA ACE A 114 42.807 27.999 -10.158 1.00 0.13 C HETATM 1509 CB ACE A 114 43.882 27.501 -9.206 1.00 -0.01 C HETATM 1510 CG ACE A 114 43.740 28.138 -7.831 1.00 -0.05 C HETATM 1511 CD ACE A 114 45.009 27.869 -7.025 1.00 -0.03 C HETATM 1512 CE ACE A 114 44.763 28.423 -5.628 1.00 0.03 C HETATM 1513 NZ ACE A 114 45.985 28.866 -4.996 1.00 -0.29 N HETATM 1514 CH ACE A 114 45.881 29.719 -3.835 1.00 0.18 C HETATM 1515 OH ACE A 114 44.786 30.048 -3.413 1.00 -0.40 O HETATM 1516 CX ACE A 114 47.161 30.196 -3.148 1.00 -0.00 C HETATM 1517 CY ACE A 114 47.132 30.819 -1.936 1.00 -0.06 C HETATM 1518 CH3 ACE A 114 48.451 31.255 -1.333 1.00 -0.03 C HETATM 1519 H50 ACE A 114 48.268 31.739 -0.362 1.00 0.05 H HETATM 1520 H51 ACE A 114 48.946 31.967 -2.010 1.00 0.05 H HETATM 1521 H52 ACE A 114 49.097 30.376 -1.189 1.00 0.05 H HETATM 1522 H49 ACE A 114 46.191 30.997 -1.418 1.00 0.08 H HETATM 1523 H48 ACE A 114 48.119 30.034 -3.639 1.00 0.05 H HETATM 1524 H47 ACE A 114 46.877 28.590 -5.353 1.00 0.18 H HETATM 1525 H45 ACE A 114 44.309 27.635 -5.009 1.00 0.05 H HETATM 1526 H46 ACE A 114 44.072 29.276 -5.701 1.00 0.05 H HETATM 1527 H43 ACE A 114 45.868 28.376 -7.489 1.00 0.03 H HETATM 1528 H44 ACE A 114 45.205 26.788 -6.975 1.00 0.03 H HETATM 1529 H41 ACE A 114 42.874 27.703 -7.311 1.00 0.03 H HETATM 1530 H42 ACE A 114 43.596 29.223 -7.940 1.00 0.03 H HETATM 1531 H39 ACE A 114 44.870 27.753 -9.618 1.00 0.03 H HETATM 1532 H40 ACE A 114 43.794 26.409 -9.106 1.00 0.03 H HETATM 1533 C ACE A 114 43.150 27.295 -11.463 1.00 0.20 C HETATM 1534 O ACE A 114 42.387 26.406 -11.944 1.00 -0.39 O HETATM 1535 N ACE A 114 44.306 27.648 -12.027 1.00 -0.26 N HETATM 1536 CA ACE A 114 44.822 27.016 -13.240 1.00 0.15 C HETATM 1537 C ACE A 114 45.611 25.749 -12.901 1.00 0.21 C HETATM 1538 O ACE A 114 45.543 25.259 -11.778 1.00 -0.39 O HETATM 1539 N ACE A 114 46.333 25.205 -13.879 1.00 -0.27 N HETATM 1540 CA ACE A 114 47.293 24.116 -13.640 1.00 0.12 C HETATM 1541 C ACE A 114 48.521 24.323 -14.517 1.00 0.06 C HETATM 1542 O ACE A 114 48.470 25.101 -15.475 1.00 -0.57 O HETATM 1543 OXT ACE A 114 49.566 23.712 -14.269 1.00 -0.57 O HETATM 1544 CB ACE A 114 46.694 22.705 -13.927 1.00 0.09 C HETATM 1545 OG1 ACE A 114 45.602 22.432 -13.026 1.00 -0.39 O HETATM 1546 H61 ACE A 114 45.247 21.571 -13.212 1.00 0.21 H HETATM 1547 CG2 ACE A 114 47.779 21.610 -13.794 1.00 -0.04 C HETATM 1548 H62 ACE A 114 47.334 20.626 -14.001 1.00 0.03 H HETATM 1549 H63 ACE A 114 48.188 21.621 -12.773 1.00 0.03 H HETATM 1550 H64 ACE A 114 48.587 21.805 -14.514 1.00 0.03 H HETATM 1551 H60 ACE A 114 46.310 22.693 -14.958 1.00 0.06 H HETATM 1552 H59 ACE A 114 47.598 24.152 -12.584 1.00 0.08 H HETATM 1553 H58 ACE A 114 46.218 25.550 -14.811 1.00 0.19 H HETATM 1554 CB ACE A 114 45.702 28.005 -14.009 1.00 0.08 C HETATM 1555 OG ACE A 114 44.953 29.148 -14.413 1.00 -0.39 O HETATM 1556 H57 ACE A 114 45.520 29.745 -14.887 1.00 0.21 H HETATM 1557 H55 ACE A 114 46.108 27.507 -14.902 1.00 0.06 H HETATM 1558 H56 ACE A 114 46.530 28.328 -13.361 1.00 0.06 H HETATM 1559 H54 ACE A 114 43.971 26.735 -13.877 1.00 0.08 H HETATM 1560 H53 ACE A 114 44.843 28.377 -11.602 1.00 0.19 H HETATM 1561 H38 ACE A 114 42.848 29.091 -10.280 1.00 0.08 H HETATM 1562 H37 ACE A 114 41.473 26.791 -9.090 1.00 0.19 H HETATM 1563 CB ACE A 114 38.609 26.595 -10.152 1.00 -0.01 C HETATM 1564 CG ACE A 114 37.413 25.844 -9.605 1.00 -0.02 C HETATM 1565 CD ACE A 114 37.042 24.693 -10.528 1.00 0.06 C HETATM 1566 NE ACE A 114 38.102 23.689 -10.586 1.00 -0.27 N HETATM 1567 CZ ACE A 114 38.321 22.782 -9.634 1.00 0.29 C HETATM 1568 NH1 ACE A 114 37.551 22.763 -8.544 1.00 -0.28 N HETATM 1569 H33 ACE A 114 37.719 22.063 -7.807 1.00 0.26 H HETATM 1570 H34 ACE A 114 36.789 23.448 -8.440 1.00 0.26 H HETATM 1571 NH2 ACE A 114 39.309 21.899 -9.770 1.00 -0.28 N HETATM 1572 H35 ACE A 114 39.902 21.915 -10.612 1.00 0.26 H HETATM 1573 H36 ACE A 114 39.480 21.200 -9.033 1.00 0.26 H HETATM 1574 H32 ACE A 114 38.717 23.682 -11.412 1.00 0.26 H HETATM 1575 H30 ACE A 114 36.868 25.088 -11.540 1.00 0.07 H HETATM 1576 H31 ACE A 114 36.121 24.219 -10.156 1.00 0.07 H HETATM 1577 H28 ACE A 114 36.559 26.533 -9.523 1.00 0.03 H HETATM 1578 H29 ACE A 114 37.659 25.445 -8.610 1.00 0.03 H HETATM 1579 H26 ACE A 114 39.424 25.873 -10.308 1.00 0.03 H HETATM 1580 H27 ACE A 114 38.322 27.039 -11.117 1.00 0.03 H HETATM 1581 H25 ACE A 114 39.397 27.279 -8.274 1.00 0.08 H HETATM 1582 H24 ACE A 114 37.952 29.434 -9.698 1.00 0.19 H HETATM 1583 CB ACE A 114 36.632 30.844 -6.754 1.00 -0.02 C HETATM 1584 H21 ACE A 114 37.641 31.234 -6.952 1.00 0.03 H HETATM 1585 H22 ACE A 114 36.616 30.352 -5.771 1.00 0.03 H HETATM 1586 H23 ACE A 114 35.910 31.674 -6.761 1.00 0.03 H HETATM 1587 H20 ACE A 114 36.236 30.357 -8.803 1.00 0.08 H HETATM 1588 H19 ACE A 114 34.414 29.601 -6.768 1.00 0.19 H HETATM 1589 CB ACE A 114 32.067 28.014 -9.315 1.00 0.09 C HETATM 1590 OG1 ACE A 114 31.969 29.377 -9.741 1.00 -0.39 O HETATM 1591 H15 ACE A 114 31.576 29.896 -9.049 1.00 0.21 H HETATM 1592 CG2 ACE A 114 30.672 27.453 -9.054 1.00 -0.03 C HETATM 1593 H16 ACE A 114 30.070 27.527 -9.972 1.00 0.03 H HETATM 1594 H17 ACE A 114 30.189 28.029 -8.251 1.00 0.03 H HETATM 1595 H18 ACE A 114 30.752 26.398 -8.751 1.00 0.03 H HETATM 1596 H14 ACE A 114 32.541 27.423 -10.113 1.00 0.06 H HETATM 1597 H13 ACE A 114 33.034 26.870 -7.756 1.00 0.08 H HETATM 1598 H12 ACE A 114 31.918 29.528 -7.058 1.00 0.19 H HETATM 1599 CB ACE A 114 30.454 28.464 -4.128 1.00 0.00 C HETATM 1600 CG ACE A 114 29.995 29.058 -2.795 1.00 0.04 C HETATM 1601 CD ACE A 114 28.548 28.730 -2.457 1.00 0.17 C HETATM 1602 OE1 ACE A 114 28.275 27.854 -1.625 1.00 -0.40 O HETATM 1603 NE2 ACE A 114 27.609 29.436 -3.095 1.00 -0.30 N HETATM 1604 H10 ACE A 114 26.642 29.262 -2.911 1.00 0.18 H HETATM 1605 H11 ACE A 114 27.874 30.138 -3.756 1.00 0.18 H HETATM 1606 H8 ACE A 114 30.103 30.152 -2.844 1.00 0.05 H HETATM 1607 H9 ACE A 114 30.639 28.662 -1.996 1.00 0.05 H HETATM 1608 H6 ACE A 114 30.501 27.369 -4.030 1.00 0.03 H HETATM 1609 H7 ACE A 114 29.723 28.732 -4.905 1.00 0.03 H HETATM 1610 H5 ACE A 114 32.510 28.878 -3.688 1.00 0.08 H HETATM 1611 H4 ACE A 114 30.850 30.825 -5.008 1.00 0.19 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1485 1486 1487 1491 CONECT 1486 1485 CONECT 1487 1485 1488 1489 1490 CONECT 1488 1487 CONECT 1489 1487 CONECT 1490 1487 CONECT 1491 1485 1492 1611 CONECT 1492 1491 1493 1599 1610 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1598 CONECT 1496 1495 1497 1589 1597 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 1500 1588 CONECT 1500 1499 1501 1583 1587 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 1504 1582 CONECT 1504 1503 1505 1563 1581 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1562 CONECT 1508 1507 1509 1533 1561 CONECT 1509 1508 1510 1531 1532 CONECT 1510 1509 1511 1529 1530 CONECT 1511 1510 1512 1527 1528 CONECT 1512 1511 1513 1525 1526 CONECT 1513 1512 1514 1524 CONECT 1514 1513 1515 1516 CONECT 1515 1514 CONECT 1516 1514 1517 1523 CONECT 1517 1516 1518 1522 CONECT 1518 1517 1519 1520 1521 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1518 CONECT 1522 1517 CONECT 1523 1516 CONECT 1524 1513 CONECT 1525 1512 CONECT 1526 1512 CONECT 1527 1511 CONECT 1528 1511 CONECT 1529 1510 CONECT 1530 1510 CONECT 1531 1509 CONECT 1532 1509 CONECT 1533 1508 1534 1535 CONECT 1534 1533 CONECT 1535 1533 1536 1560 CONECT 1536 1535 1537 1554 1559 CONECT 1537 1536 1538 1539 CONECT 1538 1537 CONECT 1539 1537 1540 1553 CONECT 1540 1539 1541 1544 1552 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1540 1545 1547 1551 CONECT 1545 1544 1546 CONECT 1546 1545 CONECT 1547 1544 1548 1549 1550 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1547 CONECT 1551 1544 CONECT 1552 1540 CONECT 1553 1539 CONECT 1554 1536 1555 1557 1558 CONECT 1555 1554 1556 CONECT 1556 1555 CONECT 1557 1554 CONECT 1558 1554 CONECT 1559 1536 CONECT 1560 1535 CONECT 1561 1508 CONECT 1562 1507 CONECT 1563 1504 1564 1579 1580 CONECT 1564 1563 1565 1577 1578 CONECT 1565 1564 1566 1575 1576 CONECT 1566 1565 1567 1574 CONECT 1567 1566 1568 1571 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1567 1572 1573 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1566 CONECT 1575 1565 CONECT 1576 1565 CONECT 1577 1564 CONECT 1578 1564 CONECT 1579 1563 CONECT 1580 1563 CONECT 1581 1504 CONECT 1582 1503 CONECT 1583 1500 1584 1585 1586 CONECT 1584 1583 CONECT 1585 1583 CONECT 1586 1583 CONECT 1587 1500 CONECT 1588 1499 CONECT 1589 1496 1590 1592 1596 CONECT 1590 1589 1591 CONECT 1591 1590 CONECT 1592 1589 1593 1594 1595 CONECT 1593 1592 CONECT 1594 1592 CONECT 1595 1592 CONECT 1596 1589 CONECT 1597 1496 CONECT 1598 1495 CONECT 1599 1492 1600 1608 1609 CONECT 1600 1599 1601 1606 1607 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 1604 1605 CONECT 1604 1603 CONECT 1605 1603 CONECT 1606 1600 CONECT 1607 1600 CONECT 1608 1599 CONECT 1609 1599 CONECT 1610 1492 CONECT 1611 1491 MASTER 0 0 0 0 0 0 0 0 1610 1 131 11 END
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Pocket-Ligand
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Related entries of code: 5iok
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5d7e
RCSB PDB
PDBbind
140aa, >5D7E_1|Chain... at 100%
6min
RCSB PDB
PDBbind
142aa, >6MIN_1|Chain... at 99%
6miq
RCSB PDB
PDBbind
142aa, >6MIQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
5iok
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription initiation factor TFIID subunit 14 (Taf14 YEATS domain)
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.22(Å)
Affinity (Kd/Ki/IC50)
Kd=9.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Chem.Biol. Vol. 12: pp. 396-398
Ligand Properties
Formula
C
3
7
H
6
5
N
1
2
O
1
4
Molecular Weight
901.984
Exact Mass
901.474
No. of atoms
128
No. of bonds
127
Polar Surface Area
439.89
LOGP Value
-2.80 (
Computed with XLOGP3
)
-3.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 0
Canonical SMILES
C/C=C/C(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C37H64N12O14/c1-6-10-27(55)41-15-8-7-11-22(32(58)47-25(17-50)34(60)49-29(20(4)52)36(62)63)46-31(57)23(12-9-16-42-37(39)40)45-30(56)18(2)43-35(61)28(19(3)51)48-33(59)24(44-21(5)53)13-14-26(38)54/h6,10,18-20,22-25,28-29,50-52H,7-9,11-17H2,1-5H3,(H2,38,54)(H,41,55)(H,43,61)(H,44,53)(H,45,56)(H,46,57)(H,47,58)(H,48,59)(H,49,60)(H,62,63)(H4,39,40,42)/p+1/b10-6+/t18-,19+,20+,22-,23-,24-,25-,28-,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P35189
P61830
Entrez Gene ID
NCBI Entrez Gene ID:
855974
852295
855700
ASD
Information of known allosteric effects of PDB entries
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