Browse entries in the PDBbind-CN Database
HEADER 5KM0_COMPLEX COMPND 5KM0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG SEQRES 2 A 115 LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG SEQRES 3 A 115 CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR SEQRES 4 A 115 HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SEQRES 5 A 115 SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS SEQRES 6 A 115 LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY SEQRES 7 A 115 LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER SEQRES 8 A 115 ASP GLY GLY GLN SER VAL TYR HIS VAL HIS LEU HIS VAL SEQRES 9 A 115 LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 113 GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU SEQRES 2 B 113 ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU SEQRES 3 B 113 ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE SEQRES 4 B 113 LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL SEQRES 5 B 113 ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET SEQRES 6 B 113 ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN SEQRES 7 B 113 LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY SEQRES 8 B 113 GLY GLN SER VAL TYR HIS VAL HIS LEU HIS VAL LEU GLY SEQRES 9 B 113 GLY ARG GLN MET HIS TRP PRO PRO GLY HET IMP A 559 34 ATOM 1 N ARG A 12 71.300 27.627 42.732 1.00 57.28 N ATOM 2 CA ARG A 12 71.804 28.864 42.148 1.00 45.96 C ATOM 3 C ARG A 12 70.678 29.874 41.944 1.00 47.78 C ATOM 4 O ARG A 12 69.534 29.492 41.692 1.00 50.69 O ATOM 5 CB ARG A 12 72.506 28.578 40.818 1.00 46.29 C ATOM 6 HN3 ARG A 12 70.589 27.210 42.098 1.00 0.00 H ATOM 7 HN2 ARG A 12 70.865 27.832 43.654 1.00 0.00 H ATOM 8 HN1 ARG A 12 72.087 26.959 42.859 1.00 0.00 H ATOM 9 N PRO A 13 70.997 31.173 42.070 1.00 45.52 N ATOM 10 CA PRO A 13 70.024 32.232 41.780 1.00 43.90 C ATOM 11 C PRO A 13 69.665 32.261 40.298 1.00 36.02 C ATOM 12 O PRO A 13 70.562 32.303 39.460 1.00 33.88 O ATOM 13 CB PRO A 13 70.760 33.516 42.187 1.00 40.34 C ATOM 14 CG PRO A 13 71.843 33.069 43.105 1.00 39.09 C ATOM 15 CD PRO A 13 72.254 31.717 42.608 1.00 42.82 C ATOM 16 N GLY A 14 68.374 32.228 39.982 1.00 31.97 N ATOM 17 CA GLY A 14 67.938 32.312 38.599 1.00 25.00 C ATOM 18 C GLY A 14 67.418 31.013 38.017 1.00 31.10 C ATOM 19 O GLY A 14 66.919 30.993 36.893 1.00 31.80 O ATOM 20 H GLY A 14 67.665 32.141 40.737 1.00 0.00 H ATOM 21 N GLY A 15 67.541 29.922 38.767 1.00 26.46 N ATOM 22 CA GLY A 15 67.011 28.643 38.325 1.00 26.85 C ATOM 23 C GLY A 15 67.915 27.851 37.396 1.00 30.52 C ATOM 24 O GLY A 15 69.017 28.286 37.063 1.00 33.14 O ATOM 25 H GLY A 15 68.025 29.985 39.686 1.00 0.00 H ATOM 26 N ASP A 16 67.428 26.691 36.962 1.00 26.33 N ATOM 27 CA ASP A 16 68.245 25.729 36.232 1.00 32.43 C ATOM 28 C ASP A 16 68.020 25.727 34.721 1.00 31.55 C ATOM 29 O ASP A 16 68.539 24.861 34.020 1.00 36.34 O ATOM 30 CB ASP A 16 68.002 24.316 36.778 1.00 33.35 C ATOM 31 CG ASP A 16 66.526 23.986 36.922 1.00 40.89 C ATOM 32 OD1 ASP A 16 65.685 24.730 36.373 1.00 39.70 O ATOM 33 OD2 ASP A 16 66.204 22.974 37.585 1.00 39.71 O ATOM 34 H ASP A 16 66.431 26.463 37.150 1.00 0.00 H ATOM 35 N THR A 17 67.249 26.683 34.215 1.00 30.91 N ATOM 36 CA THR A 17 67.046 26.779 32.772 1.00 25.00 C ATOM 37 C THR A 17 68.134 27.632 32.143 1.00 23.20 C ATOM 38 O THR A 17 68.994 28.167 32.841 1.00 24.36 O ATOM 39 CB THR A 17 65.683 27.394 32.410 1.00 23.56 C ATOM 40 OG1 THR A 17 65.750 28.818 32.559 1.00 21.28 O ATOM 41 CG2 THR A 17 64.583 26.826 33.296 1.00 24.98 C ATOM 42 HG1 THR A 17 65.975 29.040 33.497 1.00 0.00 H ATOM 43 H THR A 17 66.788 27.366 34.849 1.00 0.00 H ATOM 44 N ILE A 18 68.082 27.772 30.823 1.00 24.16 N ATOM 45 CA ILE A 18 69.055 28.587 30.113 1.00 21.60 C ATOM 46 C ILE A 18 68.938 30.051 30.550 1.00 19.45 C ATOM 47 O ILE A 18 69.910 30.799 30.508 1.00 21.59 O ATOM 48 CB ILE A 18 68.887 28.457 28.575 1.00 23.97 C ATOM 49 CG1 ILE A 18 70.126 28.992 27.856 1.00 25.48 C ATOM 50 CG2 ILE A 18 67.603 29.137 28.093 1.00 22.69 C ATOM 51 CD1 ILE A 18 70.230 28.584 26.402 1.00 29.82 C ATOM 52 H ILE A 18 67.332 27.290 30.288 1.00 0.00 H ATOM 53 N PHE A 19 67.749 30.451 30.999 1.00 18.55 N ATOM 54 CA PHE A 19 67.551 31.819 31.461 1.00 18.71 C ATOM 55 C PHE A 19 68.298 32.071 32.777 1.00 21.14 C ATOM 56 O PHE A 19 68.669 33.205 33.081 1.00 17.68 O ATOM 57 CB PHE A 19 66.058 32.123 31.631 1.00 17.92 C ATOM 58 CG PHE A 19 65.322 32.340 30.333 1.00 20.69 C ATOM 59 CD1 PHE A 19 65.972 32.234 29.112 1.00 18.98 C ATOM 60 CD2 PHE A 19 63.978 32.670 30.344 1.00 16.07 C ATOM 61 CE1 PHE A 19 65.286 32.441 27.915 1.00 15.87 C ATOM 62 CE2 PHE A 19 63.281 32.877 29.157 1.00 17.17 C ATOM 63 CZ PHE A 19 63.936 32.763 27.941 1.00 16.39 C ATOM 64 H PHE A 19 66.954 29.780 31.020 1.00 0.00 H ATOM 65 N GLY A 20 68.515 31.011 33.551 1.00 23.69 N ATOM 66 CA GLY A 20 69.323 31.110 34.753 1.00 21.60 C ATOM 67 C GLY A 20 70.756 31.458 34.399 1.00 22.13 C ATOM 68 O GLY A 20 71.379 32.305 35.036 1.00 19.77 O ATOM 69 H GLY A 20 68.098 30.095 33.290 1.00 0.00 H ATOM 70 N LYS A 21 71.269 30.810 33.358 1.00 21.87 N ATOM 71 CA LYS A 21 72.617 31.086 32.872 1.00 22.73 C ATOM 72 C LYS A 21 72.762 32.526 32.387 1.00 22.54 C ATOM 73 O LYS A 21 73.811 33.141 32.556 1.00 21.54 O ATOM 74 CB LYS A 21 72.988 30.109 31.756 1.00 27.11 C ATOM 75 CG LYS A 21 72.981 28.653 32.199 1.00 29.32 C ATOM 76 CD LYS A 21 73.701 27.770 31.196 1.00 31.49 C ATOM 77 CE LYS A 21 73.744 26.319 31.656 1.00 40.46 C ATOM 78 NZ LYS A 21 72.402 25.673 31.634 1.00 41.87 N ATOM 79 HZ1 LYS A 21 71.759 26.191 32.266 1.00 0.00 H ATOM 80 HZ2 LYS A 21 72.026 25.691 30.665 1.00 0.00 H ATOM 81 HZ3 LYS A 21 72.488 24.688 31.956 1.00 0.00 H ATOM 82 H LYS A 21 70.695 30.088 32.878 1.00 0.00 H ATOM 83 N ILE A 22 71.703 33.067 31.791 1.00 15.52 N ATOM 84 CA ILE A 22 71.718 34.455 31.348 1.00 17.65 C ATOM 85 C ILE A 22 71.717 35.417 32.537 1.00 18.84 C ATOM 86 O ILE A 22 72.487 36.378 32.579 1.00 18.90 O ATOM 87 CB ILE A 22 70.514 34.740 30.419 1.00 16.30 C ATOM 88 CG1 ILE A 22 70.719 34.014 29.085 1.00 17.17 C ATOM 89 CG2 ILE A 22 70.325 36.241 30.206 1.00 15.76 C ATOM 90 CD1 ILE A 22 69.511 34.059 28.160 1.00 13.18 C ATOM 91 H ILE A 22 70.851 32.490 31.639 1.00 0.00 H ATOM 92 N ILE A 23 70.848 35.148 33.502 1.00 19.09 N ATOM 93 CA ILE A 23 70.780 35.945 34.716 1.00 15.48 C ATOM 94 C ILE A 23 72.129 35.956 35.449 1.00 17.07 C ATOM 95 O ILE A 23 72.615 37.013 35.844 1.00 17.44 O ATOM 96 CB ILE A 23 69.676 35.422 35.650 1.00 14.92 C ATOM 97 CG1 ILE A 23 68.299 35.678 35.027 1.00 16.56 C ATOM 98 CG2 ILE A 23 69.777 36.068 37.023 1.00 17.63 C ATOM 99 CD1 ILE A 23 67.144 35.027 35.774 1.00 16.30 C ATOM 100 H ILE A 23 70.197 34.345 33.387 1.00 0.00 H ATOM 101 N ARG A 24 72.733 34.781 35.597 1.00 21.58 N ATOM 102 CA ARG A 24 74.034 34.660 36.261 1.00 20.98 C ATOM 103 C ARG A 24 75.184 35.103 35.355 1.00 23.14 C ATOM 104 O ARG A 24 76.351 35.101 35.764 1.00 24.40 O ATOM 105 CB ARG A 24 74.257 33.220 36.732 1.00 26.62 C ATOM 106 CG ARG A 24 73.384 32.826 37.907 1.00 25.52 C ATOM 107 CD ARG A 24 73.707 31.439 38.420 1.00 25.40 C ATOM 108 NE ARG A 24 73.608 30.423 37.376 1.00 24.74 N ATOM 109 CZ ARG A 24 72.487 29.788 37.049 1.00 26.35 C ATOM 110 NH1 ARG A 24 71.350 30.070 37.673 1.00 28.14 N ATOM 111 NH2 ARG A 24 72.498 28.875 36.089 1.00 31.31 N ATOM 112 HE ARG A 24 74.473 30.180 36.853 1.00 0.00 H ATOM 113 HH12 ARG A 24 70.476 29.570 37.413 1.00 0.00 H ATOM 114 HH11 ARG A 24 71.333 30.791 38.422 1.00 0.00 H ATOM 115 HH22 ARG A 24 71.621 28.378 35.834 1.00 0.00 H ATOM 116 HH21 ARG A 24 73.384 28.655 35.591 1.00 0.00 H ATOM 117 H ARG A 24 72.270 33.924 35.232 1.00 0.00 H ATOM 118 N LYS A 25 74.837 35.484 34.130 1.00 22.89 N ATOM 119 CA LYS A 25 75.790 35.987 33.143 1.00 25.55 C ATOM 120 C LYS A 25 76.881 34.968 32.828 1.00 28.42 C ATOM 121 O LYS A 25 78.045 35.322 32.625 1.00 29.30 O ATOM 122 CB LYS A 25 76.398 37.311 33.617 1.00 23.68 C ATOM 123 CG LYS A 25 75.337 38.348 33.970 1.00 25.71 C ATOM 124 CD LYS A 25 75.934 39.685 34.367 1.00 21.21 C ATOM 125 CE LYS A 25 74.843 40.681 34.782 1.00 14.91 C ATOM 126 NZ LYS A 25 73.947 41.071 33.656 1.00 18.43 N ATOM 127 HZ1 LYS A 25 74.511 41.516 32.904 1.00 0.00 H ATOM 128 HZ2 LYS A 25 73.474 40.224 33.281 1.00 0.00 H ATOM 129 HZ3 LYS A 25 73.233 41.744 34.000 1.00 0.00 H ATOM 130 H LYS A 25 73.835 35.421 33.860 1.00 0.00 H ATOM 131 N GLU A 26 76.481 33.701 32.778 1.00 26.31 N ATOM 132 CA GLU A 26 77.361 32.608 32.377 1.00 22.85 C ATOM 133 C GLU A 26 77.392 32.461 30.860 1.00 31.76 C ATOM 134 O GLU A 26 78.347 31.928 30.294 1.00 29.19 O ATOM 135 CB GLU A 26 76.909 31.305 33.033 1.00 22.88 C ATOM 136 CG GLU A 26 76.817 31.396 34.548 1.00 29.48 C ATOM 137 CD GLU A 26 76.202 30.162 35.178 1.00 33.29 C ATOM 138 OE1 GLU A 26 75.693 29.298 34.433 1.00 33.74 O ATOM 139 OE2 GLU A 26 76.230 30.057 36.424 1.00 33.62 O ATOM 140 H GLU A 26 75.498 33.479 33.036 1.00 0.00 H ATOM 141 N ILE A 27 76.328 32.918 30.208 1.00 24.45 N ATOM 142 CA ILE A 27 76.301 33.022 28.755 1.00 29.33 C ATOM 143 C ILE A 27 75.808 34.417 28.384 1.00 26.91 C ATOM 144 O ILE A 27 74.944 34.971 29.063 1.00 28.63 O ATOM 145 CB ILE A 27 75.407 31.941 28.105 1.00 24.01 C ATOM 146 CG1 ILE A 27 73.967 32.049 28.599 1.00 26.32 C ATOM 147 CG2 ILE A 27 75.946 30.547 28.391 1.00 33.68 C ATOM 148 CD1 ILE A 27 73.054 31.025 27.976 1.00 29.68 C ATOM 149 H ILE A 27 75.490 33.210 30.751 1.00 0.00 H ATOM 150 N PRO A 28 76.377 35.001 27.320 1.00 27.65 N ATOM 151 CA PRO A 28 76.058 36.371 26.905 1.00 25.01 C ATOM 152 C PRO A 28 74.610 36.573 26.462 1.00 24.20 C ATOM 153 O PRO A 28 73.927 35.647 26.015 1.00 26.94 O ATOM 154 CB PRO A 28 77.009 36.609 25.726 1.00 28.14 C ATOM 155 CG PRO A 28 78.132 35.676 25.958 1.00 32.33 C ATOM 156 CD PRO A 28 77.504 34.450 26.549 1.00 31.69 C ATOM 157 N ALA A 29 74.153 37.808 26.600 1.00 22.93 N ATOM 158 CA ALA A 29 72.845 38.201 26.108 1.00 18.40 C ATOM 159 C ALA A 29 72.887 39.680 25.787 1.00 18.53 C ATOM 160 O ALA A 29 73.784 40.400 26.232 1.00 19.52 O ATOM 161 CB ALA A 29 71.760 37.896 27.135 1.00 17.73 C ATOM 162 H ALA A 29 74.748 38.517 27.074 1.00 0.00 H ATOM 163 N LYS A 30 71.914 40.144 25.017 1.00 12.92 N ATOM 164 CA LYS A 30 71.861 41.556 24.683 1.00 12.68 C ATOM 165 C LYS A 30 70.853 42.216 25.599 1.00 15.86 C ATOM 166 O LYS A 30 69.652 42.209 25.329 1.00 14.13 O ATOM 167 CB LYS A 30 71.486 41.767 23.209 1.00 13.44 C ATOM 168 CG LYS A 30 72.504 41.230 22.205 1.00 21.75 C ATOM 169 CD LYS A 30 73.917 41.740 22.496 1.00 25.71 C ATOM 170 CE LYS A 30 74.026 43.258 22.354 1.00 27.48 C ATOM 171 NZ LYS A 30 75.375 43.767 22.757 1.00 28.47 N ATOM 172 HZ1 LYS A 30 75.554 43.521 23.751 1.00 0.00 H ATOM 173 HZ2 LYS A 30 76.103 43.332 22.154 1.00 0.00 H ATOM 174 HZ3 LYS A 30 75.402 44.801 22.644 1.00 0.00 H ATOM 175 H LYS A 30 71.187 39.496 24.651 1.00 0.00 H ATOM 176 N ILE A 31 71.353 42.779 26.689 1.00 14.52 N ATOM 177 CA ILE A 31 70.502 43.236 27.775 1.00 11.80 C ATOM 178 C ILE A 31 70.022 44.657 27.540 1.00 15.21 C ATOM 179 O ILE A 31 70.767 45.535 27.108 1.00 15.42 O ATOM 180 CB ILE A 31 71.247 43.116 29.114 1.00 13.28 C ATOM 181 CG1 ILE A 31 71.614 41.647 29.337 1.00 13.57 C ATOM 182 CG2 ILE A 31 70.376 43.619 30.254 1.00 12.54 C ATOM 183 CD1 ILE A 31 72.459 41.384 30.558 1.00 19.67 C ATOM 184 H ILE A 31 72.383 42.897 26.770 1.00 0.00 H ATOM 185 N ILE A 32 68.737 44.852 27.785 1.00 12.59 N ATOM 186 CA ILE A 32 68.089 46.132 27.588 1.00 14.52 C ATOM 187 C ILE A 32 67.908 46.845 28.916 1.00 14.91 C ATOM 188 O ILE A 32 68.053 48.063 29.015 1.00 17.56 O ATOM 189 CB ILE A 32 66.714 45.937 26.915 1.00 12.60 C ATOM 190 CG1 ILE A 32 66.896 45.187 25.591 1.00 14.77 C ATOM 191 CG2 ILE A 32 66.007 47.265 26.732 1.00 14.00 C ATOM 192 CD1 ILE A 32 65.637 44.529 25.085 1.00 13.33 C ATOM 193 H ILE A 32 68.169 44.054 28.133 1.00 0.00 H ATOM 194 N PHE A 33 67.579 46.059 29.934 1.00 16.88 N ATOM 195 CA PHE A 33 67.262 46.589 31.252 1.00 13.74 C ATOM 196 C PHE A 33 67.516 45.525 32.308 1.00 12.76 C ATOM 197 O PHE A 33 67.311 44.331 32.073 1.00 11.87 O ATOM 198 CB PHE A 33 65.801 47.066 31.318 1.00 12.95 C ATOM 199 CG PHE A 33 65.390 47.547 32.686 1.00 14.77 C ATOM 200 CD1 PHE A 33 64.810 46.679 33.595 1.00 15.06 C ATOM 201 CD2 PHE A 33 65.612 48.860 33.067 1.00 18.96 C ATOM 202 CE1 PHE A 33 64.439 47.111 34.854 1.00 18.39 C ATOM 203 CE2 PHE A 33 65.250 49.298 34.337 1.00 22.16 C ATOM 204 CZ PHE A 33 64.660 48.421 35.221 1.00 17.79 C ATOM 205 H PHE A 33 67.547 45.030 29.785 1.00 0.00 H ATOM 206 N GLU A 34 67.992 45.960 33.470 1.00 12.89 N ATOM 207 CA GLU A 34 68.183 45.058 34.593 1.00 14.61 C ATOM 208 C GLU A 34 67.907 45.776 35.905 1.00 15.04 C ATOM 209 O GLU A 34 68.315 46.919 36.087 1.00 16.78 O ATOM 210 CB GLU A 34 69.605 44.486 34.580 1.00 14.51 C ATOM 211 CG GLU A 34 69.897 43.537 35.732 1.00 15.87 C ATOM 212 CD GLU A 34 71.223 42.811 35.579 1.00 14.74 C ATOM 213 OE1 GLU A 34 71.955 43.070 34.595 1.00 15.62 O ATOM 214 OE2 GLU A 34 71.510 41.950 36.433 1.00 15.64 O ATOM 215 H GLU A 34 68.233 46.966 33.578 1.00 0.00 H ATOM 216 N ASP A 35 67.185 45.114 36.804 1.00 13.64 N ATOM 217 CA ASP A 35 67.094 45.580 38.185 1.00 15.29 C ATOM 218 C ASP A 35 67.053 44.395 39.139 1.00 11.81 C ATOM 219 O ASP A 35 67.367 43.273 38.753 1.00 13.72 O ATOM 220 CB ASP A 35 65.897 46.530 38.399 1.00 15.11 C ATOM 221 CG ASP A 35 64.524 45.864 38.247 1.00 18.81 C ATOM 222 OD1 ASP A 35 64.389 44.623 38.228 1.00 17.05 O ATOM 223 OD2 ASP A 35 63.548 46.636 38.190 1.00 16.68 O ATOM 224 H ASP A 35 66.678 44.252 36.520 1.00 0.00 H ATOM 225 N ASP A 36 66.697 44.646 40.396 1.00 10.57 N ATOM 226 CA ASP A 36 66.719 43.597 41.407 1.00 15.07 C ATOM 227 C ASP A 36 65.685 42.507 41.146 1.00 14.47 C ATOM 228 O ASP A 36 65.834 41.373 41.608 1.00 15.81 O ATOM 229 CB ASP A 36 66.494 44.211 42.787 1.00 12.01 C ATOM 230 CG ASP A 36 65.159 44.914 42.885 1.00 16.44 C ATOM 231 OD1 ASP A 36 64.990 45.950 42.206 1.00 18.52 O ATOM 232 OD2 ASP A 36 64.287 44.440 43.647 1.00 19.80 O ATOM 233 H ASP A 36 66.398 45.606 40.661 1.00 0.00 H ATOM 234 N ARG A 37 64.654 42.837 40.371 1.00 13.97 N ATOM 235 CA ARG A 37 63.528 41.931 40.190 1.00 17.45 C ATOM 236 C ARG A 37 63.456 41.270 38.820 1.00 12.02 C ATOM 237 O ARG A 37 62.862 40.203 38.688 1.00 14.17 O ATOM 238 CB ARG A 37 62.221 42.671 40.443 1.00 14.62 C ATOM 239 CG ARG A 37 61.963 42.950 41.912 1.00 18.07 C ATOM 240 CD ARG A 37 60.517 43.339 42.138 1.00 19.13 C ATOM 241 NE ARG A 37 60.234 44.698 41.685 1.00 20.52 N ATOM 242 CZ ARG A 37 59.009 45.212 41.584 1.00 18.71 C ATOM 243 NH1 ARG A 37 57.948 44.483 41.901 1.00 21.35 N ATOM 244 NH2 ARG A 37 58.844 46.459 41.170 1.00 21.29 N ATOM 245 HE ARG A 37 61.039 45.303 41.425 1.00 0.00 H ATOM 246 HH12 ARG A 37 56.994 44.890 41.820 1.00 0.00 H ATOM 247 HH11 ARG A 37 58.069 43.504 42.231 1.00 0.00 H ATOM 248 HH22 ARG A 37 57.887 46.859 41.092 1.00 0.00 H ATOM 249 HH21 ARG A 37 59.671 47.039 40.923 1.00 0.00 H ATOM 250 H ARG A 37 64.653 43.757 39.887 1.00 0.00 H ATOM 251 N CYS A 38 64.082 41.870 37.815 1.00 15.23 N ATOM 252 CA CYS A 38 63.885 41.368 36.465 1.00 9.93 C ATOM 253 C CYS A 38 65.018 41.728 35.519 1.00 15.54 C ATOM 254 O CYS A 38 65.939 42.470 35.870 1.00 14.32 O ATOM 255 CB CYS A 38 62.552 41.884 35.909 1.00 12.01 C ATOM 256 SG CYS A 38 62.538 43.594 35.426 1.00 15.39 S ATOM 257 H CYS A 38 64.703 42.686 37.990 1.00 0.00 H ATOM 258 N LEU A 39 64.921 41.183 34.311 1.00 9.52 N ATOM 259 CA LEU A 39 65.940 41.323 33.286 1.00 9.79 C ATOM 260 C LEU A 39 65.223 41.322 31.951 1.00 14.54 C ATOM 261 O LEU A 39 64.338 40.491 31.732 1.00 11.68 O ATOM 262 CB LEU A 39 66.952 40.178 33.360 1.00 14.75 C ATOM 263 CG LEU A 39 68.170 40.282 32.443 1.00 17.17 C ATOM 264 CD1 LEU A 39 69.128 41.324 32.976 1.00 17.08 C ATOM 265 CD2 LEU A 39 68.871 38.943 32.307 1.00 16.98 C ATOM 266 H LEU A 39 64.071 40.627 34.088 1.00 0.00 H ATOM 267 N ALA A 40 65.591 42.260 31.082 1.00 10.98 N ATOM 268 CA ALA A 40 65.037 42.324 29.731 1.00 9.46 C ATOM 269 C ALA A 40 66.167 42.155 28.740 1.00 12.09 C ATOM 270 O ALA A 40 67.213 42.785 28.881 1.00 14.12 O ATOM 271 CB ALA A 40 64.324 43.634 29.501 1.00 10.36 C ATOM 272 H ALA A 40 66.294 42.969 31.373 1.00 0.00 H ATOM 273 N PHE A 41 65.964 41.309 27.737 1.00 11.53 N ATOM 274 CA PHE A 41 67.024 41.061 26.760 1.00 9.32 C ATOM 275 C PHE A 41 66.425 40.604 25.440 1.00 12.81 C ATOM 276 O PHE A 41 65.314 40.101 25.405 1.00 14.37 O ATOM 277 CB PHE A 41 68.027 40.026 27.300 1.00 12.47 C ATOM 278 CG PHE A 41 67.404 38.719 27.711 1.00 11.84 C ATOM 279 CD1 PHE A 41 66.991 38.505 29.025 1.00 11.33 C ATOM 280 CD2 PHE A 41 67.229 37.698 26.787 1.00 13.15 C ATOM 281 CE1 PHE A 41 66.419 37.300 29.400 1.00 13.06 C ATOM 282 CE2 PHE A 41 66.659 36.490 27.155 1.00 14.79 C ATOM 283 CZ PHE A 41 66.253 36.289 28.469 1.00 13.62 C ATOM 284 H PHE A 41 65.050 40.822 27.646 1.00 0.00 H ATOM 285 N HIS A 42 67.172 40.770 24.353 1.00 10.59 N ATOM 286 CA HIS A 42 66.635 40.444 23.033 1.00 11.03 C ATOM 287 C HIS A 42 66.533 38.942 22.782 1.00 15.32 C ATOM 288 O HIS A 42 67.371 38.157 23.221 1.00 13.77 O ATOM 289 CB HIS A 42 67.479 41.108 21.951 1.00 10.70 C ATOM 290 CG HIS A 42 67.370 42.598 21.945 1.00 11.55 C ATOM 291 ND1 HIS A 42 66.369 43.266 21.265 1.00 13.55 N ATOM 292 CD2 HIS A 42 68.110 43.547 22.560 1.00 13.25 C ATOM 293 CE1 HIS A 42 66.515 44.567 21.448 1.00 9.10 C ATOM 294 NE2 HIS A 42 67.563 44.764 22.233 1.00 11.81 N ATOM 295 H HIS A 42 68.142 41.133 24.442 1.00 0.00 H ATOM 296 N ASP A 43 65.477 38.551 22.071 1.00 11.75 N ATOM 297 CA ASP A 43 65.268 37.159 21.714 1.00 10.71 C ATOM 298 C ASP A 43 66.270 36.731 20.637 1.00 14.84 C ATOM 299 O ASP A 43 66.567 37.500 19.717 1.00 17.30 O ATOM 300 CB ASP A 43 63.831 36.957 21.211 1.00 13.85 C ATOM 301 CG ASP A 43 63.378 35.522 21.317 1.00 12.10 C ATOM 302 OD1 ASP A 43 63.897 34.673 20.568 1.00 13.64 O ATOM 303 OD2 ASP A 43 62.502 35.245 22.158 1.00 14.43 O ATOM 304 H ASP A 43 64.783 39.262 21.763 1.00 0.00 H ATOM 305 N ILE A 44 66.781 35.507 20.737 1.00 12.54 N ATOM 306 CA ILE A 44 67.768 35.046 19.757 1.00 15.73 C ATOM 307 C ILE A 44 67.113 34.534 18.481 1.00 22.76 C ATOM 308 O ILE A 44 67.789 34.317 17.483 1.00 14.80 O ATOM 309 CB ILE A 44 68.673 33.933 20.322 1.00 18.22 C ATOM 310 CG1 ILE A 44 67.827 32.794 20.897 1.00 20.64 C ATOM 311 CG2 ILE A 44 69.642 34.504 21.355 1.00 25.37 C ATOM 312 CD1 ILE A 44 68.625 31.553 21.239 1.00 21.72 C ATOM 313 H ILE A 44 66.481 34.878 21.509 1.00 0.00 H ATOM 314 N SER A 45 65.802 34.332 18.519 1.00 17.04 N ATOM 315 CA SER A 45 65.051 33.942 17.331 1.00 17.51 C ATOM 316 C SER A 45 63.884 34.899 17.142 1.00 14.22 C ATOM 317 O SER A 45 62.730 34.523 17.357 1.00 15.33 O ATOM 318 CB SER A 45 64.542 32.505 17.445 1.00 23.65 C ATOM 319 OG SER A 45 65.596 31.606 17.737 1.00 29.96 O ATOM 320 HG SER A 45 65.235 30.687 17.804 1.00 0.00 H ATOM 321 H SER A 45 65.297 34.455 19.420 1.00 0.00 H ATOM 322 N PRO A 46 64.178 36.144 16.743 1.00 15.45 N ATOM 323 CA PRO A 46 63.128 37.164 16.710 1.00 13.49 C ATOM 324 C PRO A 46 62.047 36.886 15.678 1.00 13.41 C ATOM 325 O PRO A 46 62.333 36.497 14.534 1.00 16.46 O ATOM 326 CB PRO A 46 63.890 38.442 16.361 1.00 14.66 C ATOM 327 CG PRO A 46 65.086 37.959 15.591 1.00 16.59 C ATOM 328 CD PRO A 46 65.463 36.649 16.227 1.00 20.18 C ATOM 329 N GLN A 47 60.804 37.103 16.095 1.00 11.09 N ATOM 330 CA GLN A 47 59.641 36.900 15.232 1.00 14.82 C ATOM 331 C GLN A 47 59.098 38.230 14.734 1.00 13.96 C ATOM 332 O GLN A 47 58.061 38.280 14.073 1.00 12.05 O ATOM 333 CB GLN A 47 58.551 36.130 15.975 1.00 16.00 C ATOM 334 CG GLN A 47 58.983 34.775 16.505 1.00 13.26 C ATOM 335 CD GLN A 47 59.350 33.790 15.412 1.00 18.63 C ATOM 336 OE1 GLN A 47 58.532 33.455 14.553 1.00 18.36 O ATOM 337 NE2 GLN A 47 60.588 33.321 15.440 1.00 17.49 N ATOM 338 HE22 GLN A 47 61.245 33.632 16.184 1.00 0.00 H ATOM 339 HE21 GLN A 47 60.903 32.642 14.718 1.00 0.00 H ATOM 340 H GLN A 47 60.653 37.429 17.071 1.00 0.00 H ATOM 341 N ALA A 48 59.817 39.301 15.041 1.00 11.77 N ATOM 342 CA ALA A 48 59.471 40.641 14.592 1.00 11.82 C ATOM 343 C ALA A 48 60.747 41.486 14.574 1.00 14.30 C ATOM 344 O ALA A 48 61.759 41.085 15.160 1.00 14.62 O ATOM 345 CB ALA A 48 58.374 41.261 15.501 1.00 14.57 C ATOM 346 H ALA A 48 60.666 39.178 15.629 1.00 0.00 H ATOM 347 N PRO A 49 60.722 42.652 13.900 1.00 10.64 N ATOM 348 CA PRO A 49 61.951 43.457 13.810 1.00 13.67 C ATOM 349 C PRO A 49 62.534 43.853 15.172 1.00 10.82 C ATOM 350 O PRO A 49 63.756 43.959 15.328 1.00 13.14 O ATOM 351 CB PRO A 49 61.496 44.682 13.011 1.00 12.85 C ATOM 352 CG PRO A 49 60.441 44.114 12.090 1.00 13.71 C ATOM 353 CD PRO A 49 59.671 43.159 12.993 1.00 12.06 C ATOM 354 N THR A 50 61.665 44.055 16.158 1.00 11.60 N ATOM 355 CA THR A 50 62.086 44.132 17.550 1.00 11.01 C ATOM 356 C THR A 50 61.365 43.022 18.306 1.00 10.83 C ATOM 357 O THR A 50 60.142 42.883 18.204 1.00 10.45 O ATOM 358 CB THR A 50 61.779 45.508 18.165 1.00 12.48 C ATOM 359 OG1 THR A 50 62.520 46.507 17.460 1.00 15.21 O ATOM 360 CG2 THR A 50 62.182 45.567 19.637 1.00 12.09 C ATOM 361 HG1 THR A 50 62.256 46.500 16.506 1.00 0.00 H ATOM 362 H THR A 50 60.656 44.161 15.929 1.00 0.00 H ATOM 363 N HIS A 51 62.122 42.221 19.044 1.00 11.82 N ATOM 364 CA HIS A 51 61.553 41.111 19.795 1.00 11.87 C ATOM 365 C HIS A 51 62.442 40.862 21.000 1.00 10.81 C ATOM 366 O HIS A 51 63.596 40.456 20.860 1.00 11.50 O ATOM 367 CB HIS A 51 61.423 39.860 18.913 1.00 10.90 C ATOM 368 CG HIS A 51 60.783 38.689 19.597 1.00 11.06 C ATOM 369 ND1 HIS A 51 60.616 37.469 18.980 1.00 14.68 N ATOM 370 CD2 HIS A 51 60.267 38.554 20.844 1.00 9.27 C ATOM 371 CE1 HIS A 51 60.039 36.627 19.819 1.00 13.56 C ATOM 372 NE2 HIS A 51 59.826 37.257 20.962 1.00 10.98 N ATOM 373 H HIS A 51 63.147 42.390 19.087 1.00 0.00 H ATOM 374 N PHE A 52 61.911 41.144 22.184 1.00 9.12 N ATOM 375 CA PHE A 52 62.682 40.922 23.394 1.00 11.74 C ATOM 376 C PHE A 52 61.823 40.268 24.461 1.00 13.02 C ATOM 377 O PHE A 52 60.611 40.136 24.301 1.00 10.79 O ATOM 378 CB PHE A 52 63.305 42.229 23.904 1.00 13.68 C ATOM 379 CG PHE A 52 62.319 43.278 24.349 1.00 11.82 C ATOM 380 CD1 PHE A 52 61.827 44.220 23.451 1.00 11.95 C ATOM 381 CD2 PHE A 52 61.926 43.358 25.683 1.00 12.28 C ATOM 382 CE1 PHE A 52 60.937 45.207 23.873 1.00 10.93 C ATOM 383 CE2 PHE A 52 61.042 44.335 26.105 1.00 11.53 C ATOM 384 CZ PHE A 52 60.544 45.260 25.195 1.00 11.91 C ATOM 385 H PHE A 52 60.944 41.523 22.244 1.00 0.00 H ATOM 386 N LEU A 53 62.486 39.822 25.523 1.00 9.35 N ATOM 387 CA LEU A 53 61.851 39.114 26.623 1.00 10.66 C ATOM 388 C LEU A 53 62.057 39.903 27.901 1.00 10.02 C ATOM 389 O LEU A 53 63.107 40.519 28.104 1.00 11.83 O ATOM 390 CB LEU A 53 62.434 37.703 26.788 1.00 12.77 C ATOM 391 CG LEU A 53 62.455 36.798 25.560 1.00 11.44 C ATOM 392 CD1 LEU A 53 62.936 35.393 25.873 1.00 15.20 C ATOM 393 CD2 LEU A 53 61.063 36.755 24.948 1.00 10.40 C ATOM 394 H LEU A 53 63.512 39.988 25.570 1.00 0.00 H ATOM 395 N VAL A 54 61.052 39.881 28.767 1.00 9.89 N ATOM 396 CA VAL A 54 61.206 40.371 30.129 1.00 12.07 C ATOM 397 C VAL A 54 60.990 39.210 31.101 1.00 11.87 C ATOM 398 O VAL A 54 59.920 38.578 31.102 1.00 12.24 O ATOM 399 CB VAL A 54 60.232 41.519 30.462 1.00 9.99 C ATOM 400 CG1 VAL A 54 60.564 42.080 31.850 1.00 14.07 C ATOM 401 CG2 VAL A 54 60.295 42.621 29.421 1.00 11.24 C ATOM 402 H VAL A 54 60.131 39.504 28.465 1.00 0.00 H ATOM 403 N ILE A 55 61.997 38.935 31.936 1.00 9.70 N ATOM 404 CA ILE A 55 61.929 37.780 32.834 1.00 11.56 C ATOM 405 C ILE A 55 62.227 38.151 34.289 1.00 11.86 C ATOM 406 O ILE A 55 62.973 39.076 34.563 1.00 12.72 O ATOM 407 CB ILE A 55 62.900 36.645 32.379 1.00 12.30 C ATOM 408 CG1 ILE A 55 64.311 36.851 32.928 1.00 14.58 C ATOM 409 CG2 ILE A 55 62.972 36.542 30.853 1.00 11.40 C ATOM 410 CD1 ILE A 55 65.253 35.707 32.605 1.00 15.78 C ATOM 411 H ILE A 55 62.837 39.548 31.948 1.00 0.00 H ATOM 412 N PRO A 56 61.587 37.451 35.228 1.00 14.60 N ATOM 413 CA PRO A 56 61.906 37.655 36.643 1.00 13.33 C ATOM 414 C PRO A 56 63.224 36.988 36.977 1.00 14.39 C ATOM 415 O PRO A 56 63.566 35.971 36.369 1.00 13.77 O ATOM 416 CB PRO A 56 60.739 36.984 37.373 1.00 16.98 C ATOM 417 CG PRO A 56 60.255 35.930 36.413 1.00 16.74 C ATOM 418 CD PRO A 56 60.511 36.469 35.026 1.00 14.02 C ATOM 419 N LYS A 57 63.955 37.556 37.924 1.00 14.79 N ATOM 420 CA LYS A 57 65.174 36.912 38.392 1.00 14.98 C ATOM 421 C LYS A 57 64.806 35.730 39.278 1.00 15.72 C ATOM 422 O LYS A 57 65.522 34.733 39.315 1.00 17.90 O ATOM 423 CB LYS A 57 66.074 37.902 39.131 1.00 17.76 C ATOM 424 CG LYS A 57 66.633 38.978 38.212 1.00 16.67 C ATOM 425 CD LYS A 57 67.724 39.788 38.877 1.00 14.91 C ATOM 426 CE LYS A 57 68.558 40.521 37.827 1.00 15.45 C ATOM 427 NZ LYS A 57 69.608 41.368 38.474 1.00 15.00 N ATOM 428 HZ1 LYS A 57 69.153 42.071 39.091 1.00 0.00 H ATOM 429 HZ2 LYS A 57 70.238 40.765 39.040 1.00 0.00 H ATOM 430 HZ3 LYS A 57 70.160 41.855 37.739 1.00 0.00 H ATOM 431 H LYS A 57 63.658 38.464 38.334 1.00 0.00 H ATOM 432 N LYS A 58 63.671 35.839 39.965 1.00 16.08 N ATOM 433 CA LYS A 58 63.094 34.711 40.688 1.00 15.27 C ATOM 434 C LYS A 58 62.623 33.638 39.717 1.00 17.79 C ATOM 435 O LYS A 58 61.907 33.931 38.745 1.00 20.34 O ATOM 436 CB LYS A 58 61.918 35.163 41.562 1.00 19.94 C ATOM 437 CG LYS A 58 61.137 34.021 42.200 1.00 22.64 C ATOM 438 CD LYS A 58 59.929 34.542 42.971 1.00 25.34 C ATOM 439 CE LYS A 58 59.261 33.442 43.783 1.00 24.31 C ATOM 440 NZ LYS A 58 57.997 33.917 44.414 1.00 26.05 N ATOM 441 HZ1 LYS A 58 58.206 34.714 45.049 1.00 0.00 H ATOM 442 HZ2 LYS A 58 57.336 34.227 43.673 1.00 0.00 H ATOM 443 HZ3 LYS A 58 57.570 33.141 44.959 1.00 0.00 H ATOM 444 H LYS A 58 63.181 36.756 39.987 1.00 0.00 H ATOM 445 N HIS A 59 63.017 32.396 39.971 1.00 19.07 N ATOM 446 CA HIS A 59 62.600 31.301 39.116 1.00 18.42 C ATOM 447 C HIS A 59 61.174 30.853 39.417 1.00 22.23 C ATOM 448 O HIS A 59 60.900 30.209 40.434 1.00 24.58 O ATOM 449 CB HIS A 59 63.545 30.108 39.238 1.00 24.10 C ATOM 450 CG HIS A 59 63.317 29.062 38.191 1.00 28.29 C ATOM 451 ND1 HIS A 59 63.798 27.775 38.300 1.00 34.28 N ATOM 452 CD2 HIS A 59 62.655 29.115 37.009 1.00 20.97 C ATOM 453 CE1 HIS A 59 63.442 27.081 37.234 1.00 31.84 C ATOM 454 NE2 HIS A 59 62.746 27.871 36.435 1.00 26.77 N ATOM 455 H HIS A 59 63.630 32.207 40.790 1.00 0.00 H ATOM 456 N ILE A 60 60.272 31.234 38.521 1.00 17.21 N ATOM 457 CA ILE A 60 58.924 30.701 38.455 1.00 18.72 C ATOM 458 C ILE A 60 58.855 29.942 37.135 1.00 18.17 C ATOM 459 O ILE A 60 59.171 30.501 36.085 1.00 16.04 O ATOM 460 CB ILE A 60 57.865 31.814 38.509 1.00 20.12 C ATOM 461 CG1 ILE A 60 58.100 32.716 39.727 1.00 17.01 C ATOM 462 CG2 ILE A 60 56.459 31.227 38.489 1.00 16.94 C ATOM 463 CD1 ILE A 60 57.240 33.953 39.753 1.00 28.55 C ATOM 464 H ILE A 60 60.547 31.957 37.826 1.00 0.00 H ATOM 465 N SER A 61 58.494 28.665 37.179 1.00 18.93 N ATOM 466 CA SER A 61 58.611 27.823 35.988 1.00 17.54 C ATOM 467 C SER A 61 57.634 28.222 34.878 1.00 17.11 C ATOM 468 O SER A 61 57.962 28.159 33.693 1.00 17.74 O ATOM 469 CB SER A 61 58.405 26.351 36.354 1.00 21.12 C ATOM 470 OG SER A 61 57.076 26.101 36.777 1.00 25.29 O ATOM 471 HG SER A 61 56.449 26.333 36.047 1.00 0.00 H ATOM 472 H SER A 61 58.126 28.261 38.064 1.00 0.00 H ATOM 473 N GLN A 62 56.433 28.628 35.265 1.00 17.55 N ATOM 474 CA GLN A 62 55.394 28.953 34.292 1.00 17.48 C ATOM 475 C GLN A 62 54.304 29.764 34.988 1.00 17.78 C ATOM 476 O GLN A 62 54.202 29.749 36.205 1.00 15.97 O ATOM 477 CB GLN A 62 54.825 27.678 33.665 1.00 19.98 C ATOM 478 CG GLN A 62 54.120 26.746 34.649 1.00 18.36 C ATOM 479 CD GLN A 62 54.290 25.280 34.286 1.00 26.77 C ATOM 480 OE1 GLN A 62 55.336 24.680 34.542 1.00 33.21 O ATOM 481 NE2 GLN A 62 53.272 24.704 33.665 1.00 26.38 N ATOM 482 HE22 GLN A 62 52.408 25.248 33.469 1.00 0.00 H ATOM 483 HE21 GLN A 62 53.337 23.708 33.374 1.00 0.00 H ATOM 484 H GLN A 62 56.227 28.717 36.281 1.00 0.00 H ATOM 485 N ILE A 63 53.493 30.484 34.221 1.00 16.38 N ATOM 486 CA ILE A 63 52.580 31.443 34.823 1.00 17.13 C ATOM 487 C ILE A 63 51.490 30.730 35.635 1.00 18.17 C ATOM 488 O ILE A 63 50.969 31.275 36.609 1.00 18.32 O ATOM 489 CB ILE A 63 51.959 32.378 33.732 1.00 19.32 C ATOM 490 CG1 ILE A 63 51.117 33.490 34.359 1.00 21.29 C ATOM 491 CG2 ILE A 63 51.175 31.593 32.693 1.00 19.17 C ATOM 492 CD1 ILE A 63 51.947 34.594 34.959 1.00 25.19 C ATOM 493 H ILE A 63 53.511 30.362 33.188 1.00 0.00 H ATOM 494 N SER A 64 51.190 29.488 35.269 1.00 16.36 N ATOM 495 CA SER A 64 50.118 28.747 35.924 1.00 17.58 C ATOM 496 C SER A 64 50.456 28.377 37.366 1.00 19.52 C ATOM 497 O SER A 64 49.560 28.049 38.139 1.00 20.45 O ATOM 498 CB SER A 64 49.777 27.480 35.132 1.00 19.76 C ATOM 499 OG SER A 64 50.860 26.566 35.154 1.00 22.23 O ATOM 500 HG SER A 64 51.657 26.991 34.749 1.00 0.00 H ATOM 501 H SER A 64 51.729 29.037 34.502 1.00 0.00 H ATOM 502 N VAL A 65 51.735 28.433 37.730 1.00 18.47 N ATOM 503 CA VAL A 65 52.125 28.122 39.110 1.00 17.90 C ATOM 504 C VAL A 65 52.522 29.358 39.920 1.00 20.95 C ATOM 505 O VAL A 65 52.968 29.233 41.065 1.00 21.46 O ATOM 506 CB VAL A 65 53.288 27.102 39.167 1.00 24.22 C ATOM 507 CG1 VAL A 65 52.911 25.819 38.435 1.00 22.79 C ATOM 508 CG2 VAL A 65 54.568 27.697 38.604 1.00 24.39 C ATOM 509 H VAL A 65 52.461 28.698 37.034 1.00 0.00 H ATOM 510 N ALA A 66 52.357 30.544 39.336 1.00 16.98 N ATOM 511 CA ALA A 66 52.600 31.785 40.066 1.00 15.81 C ATOM 512 C ALA A 66 51.671 31.898 41.268 1.00 19.64 C ATOM 513 O ALA A 66 50.503 31.500 41.208 1.00 22.11 O ATOM 514 CB ALA A 66 52.435 32.986 39.163 1.00 12.99 C ATOM 515 H ALA A 66 52.050 30.587 38.343 1.00 0.00 H ATOM 516 N GLU A 67 52.200 32.435 42.365 1.00 16.64 N ATOM 517 CA GLU A 67 51.434 32.569 43.600 1.00 23.37 C ATOM 518 C GLU A 67 50.798 33.949 43.697 1.00 18.70 C ATOM 519 O GLU A 67 51.237 34.877 43.033 1.00 17.69 O ATOM 520 CB GLU A 67 52.334 32.320 44.814 1.00 26.92 C ATOM 521 CG GLU A 67 52.981 30.946 44.836 1.00 31.99 C ATOM 522 CD GLU A 67 53.933 30.760 46.007 1.00 42.88 C ATOM 523 OE1 GLU A 67 54.405 31.775 46.568 1.00 40.71 O ATOM 524 OE2 GLU A 67 54.208 29.595 46.366 1.00 49.84 O ATOM 525 H GLU A 67 53.185 32.768 42.341 1.00 0.00 H ATOM 526 N ASP A 68 49.772 34.089 44.534 1.00 18.85 N ATOM 527 CA ASP A 68 49.157 35.396 44.769 1.00 25.01 C ATOM 528 C ASP A 68 50.191 36.475 45.107 1.00 19.83 C ATOM 529 O ASP A 68 50.065 37.622 44.680 1.00 18.37 O ATOM 530 CB ASP A 68 48.136 35.307 45.906 1.00 21.72 C ATOM 531 CG ASP A 68 46.860 34.609 45.494 1.00 29.75 C ATOM 532 OD1 ASP A 68 46.798 34.107 44.353 1.00 26.68 O ATOM 533 OD2 ASP A 68 45.925 34.544 46.325 1.00 24.71 O ATOM 534 H ASP A 68 49.401 33.254 45.030 1.00 0.00 H ATOM 535 N ASP A 69 51.210 36.104 45.874 1.00 17.96 N ATOM 536 CA ASP A 69 52.236 37.054 46.286 1.00 22.34 C ATOM 537 C ASP A 69 53.195 37.433 45.158 1.00 25.10 C ATOM 538 O ASP A 69 54.046 38.304 45.341 1.00 24.52 O ATOM 539 CB ASP A 69 53.027 36.495 47.465 1.00 25.18 C ATOM 540 CG ASP A 69 52.224 36.494 48.757 1.00 39.50 C ATOM 541 OD1 ASP A 69 51.411 37.425 48.956 1.00 40.95 O ATOM 542 OD2 ASP A 69 52.406 35.565 49.574 1.00 44.50 O ATOM 543 H ASP A 69 51.277 35.115 46.187 1.00 0.00 H ATOM 544 N ASP A 70 53.070 36.770 44.008 1.00 17.71 N ATOM 545 CA ASP A 70 53.846 37.126 42.823 1.00 18.55 C ATOM 546 C ASP A 70 53.167 38.208 41.988 1.00 17.12 C ATOM 547 O ASP A 70 53.673 38.590 40.942 1.00 15.90 O ATOM 548 CB ASP A 70 54.081 35.902 41.935 1.00 22.05 C ATOM 549 CG ASP A 70 54.978 34.876 42.577 1.00 23.34 C ATOM 550 OD1 ASP A 70 55.925 35.271 43.292 1.00 27.86 O ATOM 551 OD2 ASP A 70 54.738 33.669 42.361 1.00 23.09 O ATOM 552 H ASP A 70 52.400 35.976 43.953 1.00 0.00 H ATOM 553 N GLU A 71 52.021 38.699 42.443 1.00 14.67 N ATOM 554 CA GLU A 71 51.251 39.685 41.682 1.00 12.52 C ATOM 555 C GLU A 71 52.059 40.925 41.260 1.00 18.37 C ATOM 556 O GLU A 71 52.116 41.269 40.076 1.00 14.28 O ATOM 557 CB GLU A 71 50.029 40.114 42.507 1.00 16.33 C ATOM 558 CG GLU A 71 48.874 40.635 41.692 1.00 22.51 C ATOM 559 CD GLU A 71 47.627 40.862 42.535 1.00 23.08 C ATOM 560 OE1 GLU A 71 46.674 40.058 42.427 1.00 18.99 O ATOM 561 OE2 GLU A 71 47.608 41.847 43.303 1.00 24.55 O ATOM 562 H GLU A 71 51.661 38.375 43.363 1.00 0.00 H ATOM 563 N SER A 72 52.709 41.582 42.215 1.00 18.39 N ATOM 564 CA SER A 72 53.478 42.789 41.912 1.00 17.01 C ATOM 565 C SER A 72 54.636 42.507 40.957 1.00 17.76 C ATOM 566 O SER A 72 54.947 43.327 40.083 1.00 17.29 O ATOM 567 CB SER A 72 54.007 43.421 43.199 1.00 23.93 C ATOM 568 OG SER A 72 53.004 44.211 43.810 1.00 35.08 O ATOM 569 HG SER A 72 53.362 44.612 44.641 1.00 0.00 H ATOM 570 H SER A 72 52.670 41.232 43.194 1.00 0.00 H ATOM 571 N LEU A 73 55.265 41.347 41.119 1.00 14.39 N ATOM 572 CA LEU A 73 56.365 40.956 40.238 1.00 15.18 C ATOM 573 C LEU A 73 55.887 40.856 38.795 1.00 15.46 C ATOM 574 O LEU A 73 56.540 41.375 37.880 1.00 10.46 O ATOM 575 CB LEU A 73 56.976 39.624 40.679 1.00 17.46 C ATOM 576 CG LEU A 73 58.010 39.025 39.717 1.00 14.85 C ATOM 577 CD1 LEU A 73 59.225 39.940 39.573 1.00 16.52 C ATOM 578 CD2 LEU A 73 58.433 37.641 40.191 1.00 17.22 C ATOM 579 H LEU A 73 54.970 40.707 41.884 1.00 0.00 H ATOM 580 N LEU A 74 54.748 40.194 38.592 1.00 14.37 N ATOM 581 CA LEU A 74 54.213 40.020 37.242 1.00 11.68 C ATOM 582 C LEU A 74 53.834 41.369 36.641 1.00 13.03 C ATOM 583 O LEU A 74 54.121 41.630 35.477 1.00 13.97 O ATOM 584 CB LEU A 74 53.015 39.068 37.239 1.00 11.31 C ATOM 585 CG LEU A 74 53.253 37.612 37.656 1.00 12.61 C ATOM 586 CD1 LEU A 74 51.938 36.859 37.828 1.00 17.67 C ATOM 587 CD2 LEU A 74 54.159 36.907 36.657 1.00 16.35 C ATOM 588 H LEU A 74 54.233 39.796 39.404 1.00 0.00 H ATOM 589 N GLY A 75 53.212 42.235 37.438 1.00 11.81 N ATOM 590 CA GLY A 75 52.921 43.584 36.993 1.00 11.14 C ATOM 591 C GLY A 75 54.184 44.343 36.618 1.00 12.22 C ATOM 592 O GLY A 75 54.201 45.104 35.654 1.00 14.18 O ATOM 593 H GLY A 75 52.930 41.939 38.395 1.00 0.00 H ATOM 594 N HIS A 76 55.245 44.141 37.394 1.00 13.14 N ATOM 595 CA HIS A 76 56.513 44.794 37.117 1.00 14.16 C ATOM 596 C HIS A 76 57.070 44.333 35.776 1.00 12.16 C ATOM 597 O HIS A 76 57.658 45.127 35.051 1.00 13.29 O ATOM 598 CB HIS A 76 57.517 44.517 38.235 1.00 15.05 C ATOM 599 CG HIS A 76 58.806 45.272 38.102 1.00 14.98 C ATOM 600 ND1 HIS A 76 58.860 46.649 38.036 1.00 14.28 N ATOM 601 CD2 HIS A 76 60.087 44.840 38.034 1.00 15.00 C ATOM 602 CE1 HIS A 76 60.124 47.030 37.936 1.00 15.39 C ATOM 603 NE2 HIS A 76 60.886 45.953 37.931 1.00 15.48 N ATOM 604 H HIS A 76 55.166 43.505 38.213 1.00 0.00 H ATOM 605 N LEU A 77 56.871 43.063 35.435 1.00 10.58 N ATOM 606 CA LEU A 77 57.329 42.586 34.129 1.00 13.03 C ATOM 607 C LEU A 77 56.637 43.346 32.997 1.00 11.32 C ATOM 608 O LEU A 77 57.246 43.648 31.960 1.00 10.98 O ATOM 609 CB LEU A 77 57.085 41.088 33.965 1.00 11.61 C ATOM 610 CG LEU A 77 57.721 40.115 34.957 1.00 10.75 C ATOM 611 CD1 LEU A 77 57.362 38.695 34.592 1.00 14.19 C ATOM 612 CD2 LEU A 77 59.235 40.290 35.030 1.00 15.76 C ATOM 613 H LEU A 77 56.393 42.413 36.092 1.00 0.00 H ATOM 614 N MET A 78 55.358 43.654 33.188 1.00 12.22 N ATOM 615 CA MET A 78 54.600 44.351 32.159 1.00 13.02 C ATOM 616 C MET A 78 54.977 45.832 32.086 1.00 11.71 C ATOM 617 O MET A 78 55.034 46.410 31.000 1.00 12.95 O ATOM 618 CB MET A 78 53.094 44.181 32.397 1.00 14.22 C ATOM 619 CG MET A 78 52.609 42.751 32.162 1.00 14.47 C ATOM 620 SD MET A 78 50.823 42.601 31.912 1.00 20.08 S ATOM 621 CE MET A 78 50.585 43.772 30.581 1.00 17.39 C ATOM 622 H MET A 78 54.894 43.394 34.082 1.00 0.00 H ATOM 623 N ILE A 79 55.246 46.438 33.238 1.00 12.03 N ATOM 624 CA ILE A 79 55.650 47.839 33.288 1.00 12.05 C ATOM 625 C ILE A 79 57.018 48.024 32.633 1.00 12.44 C ATOM 626 O ILE A 79 57.219 48.950 31.843 1.00 11.81 O ATOM 627 CB ILE A 79 55.703 48.351 34.736 1.00 15.21 C ATOM 628 CG1 ILE A 79 54.284 48.428 35.307 1.00 15.25 C ATOM 629 CG2 ILE A 79 56.360 49.719 34.792 1.00 18.83 C ATOM 630 CD1 ILE A 79 53.428 49.468 34.637 1.00 17.96 C ATOM 631 H ILE A 79 55.167 45.901 34.125 1.00 0.00 H ATOM 632 N VAL A 80 57.948 47.134 32.973 1.00 11.24 N ATOM 633 CA VAL A 80 59.274 47.140 32.359 1.00 11.08 C ATOM 634 C VAL A 80 59.163 46.867 30.858 1.00 14.42 C ATOM 635 O VAL A 80 59.844 47.501 30.052 1.00 11.87 O ATOM 636 CB VAL A 80 60.209 46.110 33.040 1.00 11.12 C ATOM 637 CG1 VAL A 80 61.472 45.897 32.225 1.00 11.05 C ATOM 638 CG2 VAL A 80 60.562 46.570 34.461 1.00 15.43 C ATOM 639 H VAL A 80 57.725 46.417 33.693 1.00 0.00 H ATOM 640 N GLY A 81 58.260 45.967 30.474 1.00 13.15 N ATOM 641 CA GLY A 81 58.063 45.670 29.064 1.00 12.73 C ATOM 642 C GLY A 81 57.617 46.906 28.296 1.00 10.16 C ATOM 643 O GLY A 81 58.097 47.179 27.193 1.00 11.88 O ATOM 644 H GLY A 81 57.690 45.472 31.189 1.00 0.00 H ATOM 645 N LYS A 82 56.718 47.682 28.898 1.00 14.10 N ATOM 646 CA LYS A 82 56.182 48.872 28.252 1.00 15.43 C ATOM 647 C LYS A 82 57.240 49.973 28.160 1.00 15.38 C ATOM 648 O LYS A 82 57.359 50.648 27.145 1.00 14.22 O ATOM 649 CB LYS A 82 54.931 49.381 29.012 1.00 20.45 C ATOM 650 CG LYS A 82 54.927 50.913 29.235 1.00 21.07 C ATOM 651 CD LYS A 82 53.940 51.330 30.252 1.00 21.30 C ATOM 652 CE LYS A 82 54.509 51.185 31.626 1.00 24.34 C ATOM 653 NZ LYS A 82 55.520 52.231 31.858 1.00 33.54 N ATOM 654 HZ1 LYS A 82 56.282 52.136 31.157 1.00 0.00 H ATOM 655 HZ2 LYS A 82 55.076 53.167 31.765 1.00 0.00 H ATOM 656 HZ3 LYS A 82 55.913 52.126 32.815 1.00 0.00 H ATOM 657 H LYS A 82 56.391 47.432 29.853 1.00 0.00 H ATOM 658 N LYS A 83 57.996 50.150 29.244 1.00 14.81 N ATOM 659 CA LYS A 83 59.037 51.162 29.295 1.00 17.54 C ATOM 660 C LYS A 83 60.138 50.844 28.294 1.00 15.11 C ATOM 661 O LYS A 83 60.610 51.728 27.584 1.00 15.68 O ATOM 662 CB LYS A 83 59.624 51.269 30.705 1.00 16.33 C ATOM 663 CG LYS A 83 58.713 51.964 31.686 1.00 24.30 C ATOM 664 CD LYS A 83 59.323 52.018 33.074 1.00 28.82 C ATOM 665 CE LYS A 83 58.442 52.815 34.019 1.00 30.04 C ATOM 666 NZ LYS A 83 58.902 52.717 35.433 1.00 35.49 N ATOM 667 HZ1 LYS A 83 58.883 51.722 35.734 1.00 0.00 H ATOM 668 HZ2 LYS A 83 59.872 53.084 35.507 1.00 0.00 H ATOM 669 HZ3 LYS A 83 58.271 53.277 36.041 1.00 0.00 H ATOM 670 H LYS A 83 57.836 49.547 30.076 1.00 0.00 H ATOM 671 N CYS A 84 60.526 49.575 28.225 1.00 12.64 N ATOM 672 CA CYS A 84 61.538 49.144 27.256 1.00 11.21 C ATOM 673 C CYS A 84 61.051 49.333 25.828 1.00 12.99 C ATOM 674 O CYS A 84 61.810 49.722 24.957 1.00 12.75 O ATOM 675 CB CYS A 84 61.922 47.683 27.474 1.00 11.39 C ATOM 676 SG CYS A 84 62.947 47.386 28.945 1.00 16.57 S ATOM 677 H CYS A 84 60.105 48.876 28.869 1.00 0.00 H ATOM 678 N ALA A 85 59.774 49.052 25.590 1.00 14.82 N ATOM 679 CA ALA A 85 59.223 49.219 24.258 1.00 13.64 C ATOM 680 C ALA A 85 59.309 50.680 23.839 1.00 16.58 C ATOM 681 O ALA A 85 59.680 50.987 22.706 1.00 13.61 O ATOM 682 CB ALA A 85 57.780 48.724 24.223 1.00 9.37 C ATOM 683 H ALA A 85 59.167 48.711 26.362 1.00 0.00 H ATOM 684 N ALA A 86 58.987 51.581 24.765 1.00 15.68 N ATOM 685 CA ALA A 86 59.095 53.016 24.508 1.00 18.18 C ATOM 686 C ALA A 86 60.545 53.417 24.249 1.00 16.70 C ATOM 687 O ALA A 86 60.828 54.184 23.322 1.00 17.18 O ATOM 688 CB ALA A 86 58.526 53.813 25.683 1.00 19.02 C ATOM 689 H ALA A 86 58.650 51.256 25.694 1.00 0.00 H ATOM 690 N ASP A 87 61.453 52.894 25.068 1.00 14.17 N ATOM 691 CA ASP A 87 62.879 53.175 24.915 1.00 22.26 C ATOM 692 C ASP A 87 63.398 52.687 23.567 1.00 21.53 C ATOM 693 O ASP A 87 64.264 53.323 22.962 1.00 26.23 O ATOM 694 CB ASP A 87 63.687 52.532 26.048 1.00 17.78 C ATOM 695 CG ASP A 87 63.421 53.178 27.393 1.00 28.32 C ATOM 696 OD1 ASP A 87 63.027 54.364 27.419 1.00 27.38 O ATOM 697 OD2 ASP A 87 63.613 52.502 28.423 1.00 29.36 O ATOM 698 H ASP A 87 61.140 52.269 25.838 1.00 0.00 H ATOM 699 N LEU A 88 62.873 51.559 23.098 1.00 16.69 N ATOM 700 CA LEU A 88 63.296 51.000 21.808 1.00 15.37 C ATOM 701 C LEU A 88 62.491 51.561 20.642 1.00 18.65 C ATOM 702 O LEU A 88 62.534 51.026 19.534 1.00 18.85 O ATOM 703 CB LEU A 88 63.196 49.474 21.833 1.00 15.55 C ATOM 704 CG LEU A 88 64.180 48.796 22.795 1.00 14.65 C ATOM 705 CD1 LEU A 88 63.793 47.347 23.082 1.00 16.77 C ATOM 706 CD2 LEU A 88 65.615 48.892 22.279 1.00 19.82 C ATOM 707 H LEU A 88 62.149 51.063 23.656 1.00 0.00 H ATOM 708 N GLY A 89 61.762 52.645 20.894 1.00 17.55 N ATOM 709 CA GLY A 89 61.083 53.375 19.839 1.00 16.37 C ATOM 710 C GLY A 89 59.911 52.674 19.174 1.00 18.84 C ATOM 711 O GLY A 89 59.615 52.936 18.008 1.00 20.26 O ATOM 712 H GLY A 89 61.676 52.979 21.875 1.00 0.00 H ATOM 713 N LEU A 90 59.215 51.807 19.906 1.00 15.52 N ATOM 714 CA LEU A 90 58.054 51.126 19.322 1.00 16.46 C ATOM 715 C LEU A 90 56.787 51.966 19.470 1.00 19.18 C ATOM 716 O LEU A 90 55.790 51.523 20.034 1.00 19.91 O ATOM 717 CB LEU A 90 57.870 49.740 19.949 1.00 13.30 C ATOM 718 CG LEU A 90 59.082 48.806 19.837 1.00 15.69 C ATOM 719 CD1 LEU A 90 58.790 47.443 20.460 1.00 17.89 C ATOM 720 CD2 LEU A 90 59.538 48.663 18.374 1.00 15.25 C ATOM 721 H LEU A 90 59.493 51.613 20.889 1.00 0.00 H ATOM 722 N ASN A 91 56.829 53.184 18.940 1.00 20.58 N ATOM 723 CA ASN A 91 55.728 54.127 19.100 1.00 22.32 C ATOM 724 C ASN A 91 54.497 53.761 18.270 1.00 17.45 C ATOM 725 O ASN A 91 53.404 54.275 18.512 1.00 21.39 O ATOM 726 CB ASN A 91 56.191 55.538 18.735 1.00 28.71 C ATOM 727 CG ASN A 91 56.612 55.653 17.283 1.00 33.38 C ATOM 728 OD1 ASN A 91 57.345 54.807 16.767 1.00 32.75 O ATOM 729 ND2 ASN A 91 56.139 56.698 16.611 1.00 37.81 N ATOM 730 HD22 ASN A 91 55.523 57.387 17.088 1.00 0.00 H ATOM 731 HD21 ASN A 91 56.385 56.826 15.609 1.00 0.00 H ATOM 732 H ASN A 91 57.668 53.472 18.397 1.00 0.00 H ATOM 733 N LYS A 92 54.667 52.876 17.291 1.00 17.66 N ATOM 734 CA LYS A 92 53.552 52.471 16.442 1.00 16.61 C ATOM 735 C LYS A 92 52.771 51.311 17.061 1.00 16.57 C ATOM 736 O LYS A 92 51.724 50.910 16.549 1.00 17.02 O ATOM 737 CB LYS A 92 54.054 52.090 15.046 1.00 19.19 C ATOM 738 H LYS A 92 55.609 52.467 17.129 1.00 0.00 H ATOM 739 N GLY A 93 53.286 50.770 18.158 1.00 13.75 N ATOM 740 CA GLY A 93 52.608 49.694 18.858 1.00 14.12 C ATOM 741 C GLY A 93 53.441 48.431 18.969 1.00 12.89 C ATOM 742 O GLY A 93 54.548 48.338 18.422 1.00 12.24 O ATOM 743 H GLY A 93 54.193 51.124 18.523 1.00 0.00 H ATOM 744 N TYR A 94 52.896 47.449 19.681 1.00 12.16 N ATOM 745 CA TYR A 94 53.595 46.202 19.966 1.00 8.93 C ATOM 746 C TYR A 94 52.637 45.204 20.579 1.00 10.46 C ATOM 747 O TYR A 94 51.501 45.553 20.936 1.00 9.72 O ATOM 748 CB TYR A 94 54.803 46.436 20.895 1.00 8.56 C ATOM 749 CG TYR A 94 54.492 47.243 22.143 1.00 8.71 C ATOM 750 CD1 TYR A 94 54.033 46.628 23.301 1.00 10.23 C ATOM 751 CD2 TYR A 94 54.670 48.623 22.161 1.00 11.80 C ATOM 752 CE1 TYR A 94 53.774 47.365 24.439 1.00 9.00 C ATOM 753 CE2 TYR A 94 54.414 49.365 23.296 1.00 10.62 C ATOM 754 CZ TYR A 94 53.945 48.733 24.432 1.00 9.73 C ATOM 755 OH TYR A 94 53.674 49.462 25.571 1.00 13.89 O ATOM 756 HH TYR A 94 54.500 49.916 25.875 1.00 0.00 H ATOM 757 H TYR A 94 51.932 47.576 20.050 1.00 0.00 H ATOM 758 N ARG A 95 53.078 43.958 20.665 1.00 9.33 N ATOM 759 CA ARG A 95 52.279 42.898 21.273 1.00 11.09 C ATOM 760 C ARG A 95 53.057 42.217 22.379 1.00 7.79 C ATOM 761 O ARG A 95 54.239 41.902 22.220 1.00 9.72 O ATOM 762 CB ARG A 95 51.840 41.892 20.201 1.00 9.35 C ATOM 763 CG ARG A 95 51.227 40.609 20.733 1.00 10.11 C ATOM 764 CD ARG A 95 50.499 39.848 19.623 1.00 11.47 C ATOM 765 NE ARG A 95 49.456 40.666 19.000 1.00 9.49 N ATOM 766 CZ ARG A 95 48.897 40.397 17.820 1.00 10.04 C ATOM 767 NH1 ARG A 95 49.249 39.316 17.143 1.00 10.38 N ATOM 768 NH2 ARG A 95 47.959 41.201 17.330 1.00 10.23 N ATOM 769 HE ARG A 95 49.130 41.511 19.511 1.00 0.00 H ATOM 770 HH12 ARG A 95 48.809 39.112 16.223 1.00 0.00 H ATOM 771 HH11 ARG A 95 49.966 38.670 17.531 1.00 0.00 H ATOM 772 HH22 ARG A 95 47.523 40.991 16.409 1.00 0.00 H ATOM 773 HH21 ARG A 95 47.661 42.040 17.867 1.00 0.00 H ATOM 774 H ARG A 95 54.020 43.728 20.289 1.00 0.00 H ATOM 775 N MET A 96 52.413 42.048 23.530 1.00 8.40 N ATOM 776 CA MET A 96 52.989 41.300 24.644 1.00 10.90 C ATOM 777 C MET A 96 52.397 39.895 24.696 1.00 10.18 C ATOM 778 O MET A 96 51.180 39.713 24.531 1.00 9.98 O ATOM 779 CB MET A 96 52.735 42.016 25.974 1.00 9.70 C ATOM 780 CG MET A 96 53.306 43.406 26.030 1.00 12.32 C ATOM 781 SD MET A 96 52.872 44.188 27.590 1.00 16.30 S ATOM 782 CE MET A 96 54.363 45.137 27.902 1.00 15.74 C ATOM 783 H MET A 96 51.466 42.463 23.641 1.00 0.00 H ATOM 784 N VAL A 97 53.244 38.902 24.938 1.00 9.38 N ATOM 785 CA VAL A 97 52.810 37.515 24.901 1.00 9.68 C ATOM 786 C VAL A 97 53.391 36.680 26.047 1.00 12.56 C ATOM 787 O VAL A 97 54.571 36.776 26.353 1.00 11.29 O ATOM 788 CB VAL A 97 53.201 36.847 23.562 1.00 8.49 C ATOM 789 CG1 VAL A 97 52.749 35.399 23.535 1.00 12.55 C ATOM 790 CG2 VAL A 97 52.632 37.614 22.359 1.00 10.82 C ATOM 791 H VAL A 97 54.237 39.120 25.158 1.00 0.00 H ATOM 792 N VAL A 98 52.557 35.857 26.673 1.00 11.83 N ATOM 793 CA VAL A 98 53.038 34.829 27.590 1.00 11.31 C ATOM 794 C VAL A 98 52.579 33.459 27.100 1.00 12.16 C ATOM 795 O VAL A 98 51.384 33.227 26.927 1.00 13.10 O ATOM 796 CB VAL A 98 52.533 35.049 29.036 1.00 13.15 C ATOM 797 CG1 VAL A 98 52.968 33.898 29.938 1.00 18.71 C ATOM 798 CG2 VAL A 98 53.018 36.394 29.574 1.00 12.72 C ATOM 799 H VAL A 98 51.535 35.948 26.505 1.00 0.00 H ATOM 800 N ASN A 99 53.532 32.565 26.846 1.00 13.14 N ATOM 801 CA ASN A 99 53.218 31.185 26.458 1.00 14.27 C ATOM 802 C ASN A 99 53.195 30.224 27.637 1.00 14.85 C ATOM 803 O ASN A 99 54.226 30.011 28.281 1.00 16.23 O ATOM 804 CB ASN A 99 54.231 30.667 25.442 1.00 13.38 C ATOM 805 CG ASN A 99 54.161 31.395 24.122 1.00 16.99 C ATOM 806 OD1 ASN A 99 53.152 32.016 23.795 1.00 14.73 O ATOM 807 ND2 ASN A 99 55.231 31.310 23.348 1.00 16.71 N ATOM 808 HD22 ASN A 99 56.062 30.773 23.667 1.00 0.00 H ATOM 809 HD21 ASN A 99 55.241 31.780 22.420 1.00 0.00 H ATOM 810 H ASN A 99 54.528 32.853 26.925 1.00 0.00 H ATOM 811 N GLU A 100 52.044 29.622 27.903 1.00 13.37 N ATOM 812 CA GLU A 100 51.919 28.683 29.009 1.00 14.15 C ATOM 813 C GLU A 100 51.710 27.244 28.551 1.00 16.25 C ATOM 814 O GLU A 100 50.720 26.919 27.888 1.00 15.39 O ATOM 815 CB GLU A 100 50.763 29.092 29.930 1.00 17.30 C ATOM 816 CG GLU A 100 50.297 27.987 30.885 1.00 16.29 C ATOM 817 CD GLU A 100 51.298 27.682 31.990 1.00 21.73 C ATOM 818 OE1 GLU A 100 52.046 28.600 32.376 1.00 19.06 O ATOM 819 OE2 GLU A 100 51.334 26.523 32.465 1.00 20.48 O ATOM 820 H GLU A 100 51.214 29.824 27.310 1.00 0.00 H ATOM 821 N GLY A 101 52.645 26.379 28.922 1.00 15.30 N ATOM 822 CA GLY A 101 52.448 24.952 28.762 1.00 19.20 C ATOM 823 C GLY A 101 52.460 24.474 27.331 1.00 18.09 C ATOM 824 O GLY A 101 52.921 25.180 26.434 1.00 18.30 O ATOM 825 H GLY A 101 53.533 26.730 29.334 1.00 0.00 H ATOM 826 N SER A 102 51.937 23.270 27.125 1.00 20.27 N ATOM 827 CA SER A 102 51.973 22.603 25.832 1.00 21.05 C ATOM 828 C SER A 102 51.180 23.353 24.764 1.00 22.06 C ATOM 829 O SER A 102 51.713 23.677 23.698 1.00 19.64 O ATOM 830 CB SER A 102 51.444 21.174 25.967 1.00 21.61 C ATOM 831 OG SER A 102 51.577 20.462 24.747 1.00 27.79 O ATOM 832 HG SER A 102 51.063 20.925 24.039 1.00 0.00 H ATOM 833 H SER A 102 51.482 22.783 27.923 1.00 0.00 H ATOM 834 N ASP A 103 49.911 23.625 25.052 1.00 21.19 N ATOM 835 CA ASP A 103 49.049 24.318 24.099 1.00 19.60 C ATOM 836 C ASP A 103 49.510 25.752 23.870 1.00 18.51 C ATOM 837 O ASP A 103 49.289 26.315 22.798 1.00 16.70 O ATOM 838 CB ASP A 103 47.592 24.306 24.567 1.00 19.62 C ATOM 839 CG ASP A 103 46.873 23.023 24.194 1.00 23.10 C ATOM 840 OD1 ASP A 103 47.463 22.195 23.468 1.00 24.88 O ATOM 841 OD2 ASP A 103 45.715 22.849 24.615 1.00 23.17 O ATOM 842 H ASP A 103 49.525 23.339 25.974 1.00 0.00 H ATOM 843 N GLY A 104 50.167 26.334 24.870 1.00 16.91 N ATOM 844 CA GLY A 104 50.709 27.674 24.734 1.00 14.61 C ATOM 845 C GLY A 104 51.975 27.739 23.900 1.00 19.15 C ATOM 846 O GLY A 104 52.376 28.812 23.448 1.00 18.67 O ATOM 847 H GLY A 104 50.295 25.820 25.765 1.00 0.00 H ATOM 848 N GLY A 105 52.613 26.589 23.712 1.00 17.02 N ATOM 849 CA GLY A 105 53.826 26.499 22.922 1.00 16.39 C ATOM 850 C GLY A 105 55.091 26.729 23.724 1.00 19.66 C ATOM 851 O GLY A 105 56.170 26.890 23.158 1.00 20.56 O ATOM 852 H GLY A 105 52.230 25.725 24.146 1.00 0.00 H ATOM 853 N GLN A 106 54.961 26.747 25.047 1.00 16.86 N ATOM 854 CA GLN A 106 56.100 27.029 25.921 1.00 16.41 C ATOM 855 C GLN A 106 57.248 26.042 25.717 1.00 19.25 C ATOM 856 O GLN A 106 57.024 24.832 25.614 1.00 19.23 O ATOM 857 CB GLN A 106 55.656 27.014 27.389 1.00 17.83 C ATOM 858 CG GLN A 106 56.758 27.381 28.374 1.00 15.89 C ATOM 859 CD GLN A 106 56.232 27.669 29.772 1.00 17.54 C ATOM 860 OE1 GLN A 106 55.112 27.288 30.127 1.00 16.30 O ATOM 861 NE2 GLN A 106 57.046 28.342 30.575 1.00 17.45 N ATOM 862 HE22 GLN A 106 57.981 28.643 30.234 1.00 0.00 H ATOM 863 HE21 GLN A 106 56.749 28.568 31.546 1.00 0.00 H ATOM 864 H GLN A 106 54.030 26.557 25.470 1.00 0.00 H ATOM 865 N SER A 107 58.471 26.563 25.646 1.00 16.78 N ATOM 866 CA SER A 107 59.655 25.712 25.523 1.00 19.73 C ATOM 867 C SER A 107 60.703 25.988 26.610 1.00 22.48 C ATOM 868 O SER A 107 61.461 25.092 26.973 1.00 26.65 O ATOM 869 CB SER A 107 60.287 25.859 24.133 1.00 24.69 C ATOM 870 OG SER A 107 60.820 27.152 23.931 1.00 28.15 O ATOM 871 HG SER A 107 61.217 27.206 23.026 1.00 0.00 H ATOM 872 H SER A 107 58.587 27.596 25.679 1.00 0.00 H ATOM 873 N VAL A 108 60.758 27.214 27.124 1.00 17.12 N ATOM 874 CA VAL A 108 61.620 27.501 28.272 1.00 14.33 C ATOM 875 C VAL A 108 60.753 27.674 29.509 1.00 21.44 C ATOM 876 O VAL A 108 59.902 28.568 29.555 1.00 15.93 O ATOM 877 CB VAL A 108 62.481 28.763 28.073 1.00 17.44 C ATOM 878 CG1 VAL A 108 63.285 29.056 29.332 1.00 15.81 C ATOM 879 CG2 VAL A 108 63.421 28.587 26.893 1.00 16.71 C ATOM 880 H VAL A 108 60.184 27.974 26.707 1.00 0.00 H ATOM 881 N TYR A 109 60.968 26.816 30.507 1.00 19.74 N ATOM 882 CA TYR A 109 60.132 26.819 31.699 1.00 17.29 C ATOM 883 C TYR A 109 60.724 27.702 32.790 1.00 19.31 C ATOM 884 O TYR A 109 61.140 27.259 33.867 1.00 19.08 O ATOM 885 CB TYR A 109 59.885 25.390 32.172 1.00 18.53 C ATOM 886 CG TYR A 109 58.743 24.764 31.401 1.00 21.64 C ATOM 887 CD1 TYR A 109 58.918 24.312 30.096 1.00 21.94 C ATOM 888 CD2 TYR A 109 57.477 24.672 31.962 1.00 21.10 C ATOM 889 CE1 TYR A 109 57.866 23.758 29.389 1.00 20.17 C ATOM 890 CE2 TYR A 109 56.426 24.123 31.266 1.00 21.58 C ATOM 891 CZ TYR A 109 56.621 23.669 29.982 1.00 23.19 C ATOM 892 OH TYR A 109 55.559 23.122 29.298 1.00 28.61 O ATOM 893 HH TYR A 109 55.857 22.845 28.395 1.00 0.00 H ATOM 894 H TYR A 109 61.748 26.132 30.432 1.00 0.00 H ATOM 895 N HIS A 110 60.735 28.982 32.449 1.00 20.15 N ATOM 896 CA HIS A 110 61.057 30.096 33.319 1.00 16.04 C ATOM 897 C HIS A 110 60.125 31.196 32.818 1.00 15.80 C ATOM 898 O HIS A 110 60.241 31.591 31.668 1.00 16.93 O ATOM 899 CB HIS A 110 62.536 30.494 33.199 1.00 19.13 C ATOM 900 CG HIS A 110 62.951 31.586 34.136 1.00 14.74 C ATOM 901 ND1 HIS A 110 63.997 31.445 35.027 1.00 16.54 N ATOM 902 CD2 HIS A 110 62.464 32.833 34.322 1.00 14.20 C ATOM 903 CE1 HIS A 110 64.133 32.562 35.719 1.00 21.67 C ATOM 904 NE2 HIS A 110 63.213 33.419 35.316 1.00 19.04 N ATOM 905 H HIS A 110 60.489 29.209 31.464 1.00 0.00 H ATOM 906 N VAL A 111 59.196 31.655 33.659 1.00 16.02 N ATOM 907 CA VAL A 111 58.211 32.672 33.262 1.00 15.18 C ATOM 908 C VAL A 111 58.831 33.841 32.516 1.00 15.43 C ATOM 909 O VAL A 111 59.833 34.404 32.946 1.00 14.92 O ATOM 910 CB VAL A 111 57.467 33.241 34.485 1.00 17.50 C ATOM 911 CG1 VAL A 111 56.686 34.498 34.102 1.00 26.97 C ATOM 912 CG2 VAL A 111 56.547 32.206 35.046 1.00 21.41 C ATOM 913 H VAL A 111 59.168 31.280 34.629 1.00 0.00 H ATOM 914 N HIS A 112 58.238 34.211 31.390 1.00 12.64 N ATOM 915 CA HIS A 112 58.722 35.374 30.665 1.00 12.40 C ATOM 916 C HIS A 112 57.646 35.990 29.792 1.00 10.03 C ATOM 917 O HIS A 112 56.705 35.322 29.351 1.00 14.70 O ATOM 918 CB HIS A 112 59.937 35.021 29.802 1.00 11.64 C ATOM 919 CG HIS A 112 59.721 33.858 28.885 1.00 11.87 C ATOM 920 ND1 HIS A 112 59.736 32.552 29.325 1.00 14.57 N ATOM 921 CD2 HIS A 112 59.508 33.804 27.551 1.00 15.03 C ATOM 922 CE1 HIS A 112 59.535 31.744 28.302 1.00 15.68 C ATOM 923 NE2 HIS A 112 59.400 32.473 27.210 1.00 16.73 N ATOM 924 H HIS A 112 57.428 33.670 31.026 1.00 0.00 H ATOM 925 N LEU A 113 57.829 37.279 29.537 1.00 10.38 N ATOM 926 CA LEU A 113 56.948 38.065 28.694 1.00 12.13 C ATOM 927 C LEU A 113 57.669 38.439 27.400 1.00 13.58 C ATOM 928 O LEU A 113 58.745 39.039 27.441 1.00 12.69 O ATOM 929 CB LEU A 113 56.518 39.318 29.447 1.00 12.34 C ATOM 930 CG LEU A 113 55.606 40.320 28.767 1.00 15.90 C ATOM 931 CD1 LEU A 113 54.251 39.691 28.549 1.00 14.91 C ATOM 932 CD2 LEU A 113 55.504 41.556 29.645 1.00 14.97 C ATOM 933 H LEU A 113 58.650 37.752 29.965 1.00 0.00 H ATOM 934 N HIS A 114 57.088 38.075 26.260 1.00 10.45 N ATOM 935 CA HIS A 114 57.577 38.513 24.956 1.00 14.05 C ATOM 936 C HIS A 114 57.058 39.909 24.681 1.00 11.13 C ATOM 937 O HIS A 114 55.911 40.210 24.999 1.00 10.50 O ATOM 938 CB HIS A 114 57.089 37.615 23.813 1.00 9.97 C ATOM 939 CG HIS A 114 57.522 36.185 23.885 1.00 9.60 C ATOM 940 ND1 HIS A 114 58.505 35.673 23.065 1.00 12.55 N ATOM 941 CD2 HIS A 114 57.040 35.135 24.594 1.00 12.76 C ATOM 942 CE1 HIS A 114 58.636 34.378 23.291 1.00 10.92 C ATOM 943 NE2 HIS A 114 57.761 34.030 24.218 1.00 13.11 N ATOM 944 H HIS A 114 56.254 37.455 26.299 1.00 0.00 H ATOM 945 N VAL A 115 57.875 40.742 24.054 1.00 9.68 N ATOM 946 CA VAL A 115 57.405 42.006 23.511 1.00 8.80 C ATOM 947 C VAL A 115 57.875 42.078 22.069 1.00 9.82 C ATOM 948 O VAL A 115 59.076 42.009 21.802 1.00 11.64 O ATOM 949 CB VAL A 115 57.918 43.226 24.303 1.00 8.99 C ATOM 950 CG1 VAL A 115 57.386 44.510 23.687 1.00 12.74 C ATOM 951 CG2 VAL A 115 57.495 43.148 25.777 1.00 10.61 C ATOM 952 H VAL A 115 58.877 40.486 23.948 1.00 0.00 H ATOM 953 N LEU A 116 56.919 42.187 21.150 1.00 10.47 N ATOM 954 CA LEU A 116 57.192 42.141 19.710 1.00 11.14 C ATOM 955 C LEU A 116 56.661 43.390 19.027 1.00 8.30 C ATOM 956 O LEU A 116 55.526 43.802 19.270 1.00 11.42 O ATOM 957 CB LEU A 116 56.554 40.903 19.065 1.00 12.29 C ATOM 958 CG LEU A 116 56.910 39.507 19.579 1.00 11.21 C ATOM 959 CD1 LEU A 116 55.808 38.974 20.497 1.00 14.83 C ATOM 960 CD2 LEU A 116 57.170 38.570 18.404 1.00 11.17 C ATOM 961 H LEU A 116 55.936 42.310 21.467 1.00 0.00 H ATOM 962 N GLY A 117 57.467 43.972 18.147 1.00 7.84 N ATOM 963 CA GLY A 117 57.051 45.170 17.451 1.00 10.50 C ATOM 964 C GLY A 117 57.876 45.433 16.216 1.00 11.14 C ATOM 965 O GLY A 117 58.764 44.647 15.865 1.00 12.84 O ATOM 966 H GLY A 117 58.404 43.564 17.957 1.00 0.00 H ATOM 967 N GLY A 118 57.582 46.553 15.565 1.00 11.20 N ATOM 968 CA GLY A 118 58.311 46.960 14.377 1.00 9.87 C ATOM 969 C GLY A 118 57.704 46.448 13.081 1.00 12.85 C ATOM 970 O GLY A 118 58.263 46.669 12.007 1.00 12.61 O ATOM 971 H GLY A 118 56.809 47.154 15.916 1.00 0.00 H ATOM 972 N ARG A 119 56.585 45.738 13.188 1.00 14.09 N ATOM 973 CA ARG A 119 55.792 45.335 12.036 1.00 11.03 C ATOM 974 C ARG A 119 54.333 45.226 12.454 1.00 9.13 C ATOM 975 O ARG A 119 54.016 45.212 13.638 1.00 10.70 O ATOM 976 CB ARG A 119 56.272 43.996 11.458 1.00 12.62 C ATOM 977 CG ARG A 119 56.079 42.797 12.379 1.00 15.12 C ATOM 978 CD ARG A 119 56.248 41.497 11.601 1.00 13.11 C ATOM 979 NE ARG A 119 56.216 40.309 12.452 1.00 13.35 N ATOM 980 CZ ARG A 119 55.113 39.637 12.780 1.00 15.41 C ATOM 981 NH1 ARG A 119 53.916 40.026 12.334 1.00 12.14 N ATOM 982 NH2 ARG A 119 55.206 38.563 13.549 1.00 13.98 N ATOM 983 HE ARG A 119 57.121 39.963 12.829 1.00 0.00 H ATOM 984 HH12 ARG A 119 53.064 39.492 12.598 1.00 0.00 H ATOM 985 HH11 ARG A 119 53.836 40.863 11.722 1.00 0.00 H ATOM 986 HH22 ARG A 119 54.349 38.034 13.809 1.00 0.00 H ATOM 987 HH21 ARG A 119 56.136 38.249 13.893 1.00 0.00 H ATOM 988 H ARG A 119 56.262 45.458 14.136 1.00 0.00 H ATOM 989 N GLN A 120 53.451 45.131 11.472 1.00 9.65 N ATOM 990 CA GLN A 120 52.055 44.859 11.762 1.00 9.12 C ATOM 991 C GLN A 120 51.928 43.448 12.321 1.00 8.70 C ATOM 992 O GLN A 120 52.350 42.476 11.693 1.00 12.39 O ATOM 993 CB GLN A 120 51.196 45.017 10.499 1.00 10.89 C ATOM 994 CG GLN A 120 49.703 44.736 10.736 1.00 14.20 C ATOM 995 CD GLN A 120 49.054 45.761 11.651 1.00 9.39 C ATOM 996 OE1 GLN A 120 48.978 46.943 11.316 1.00 12.44 O ATOM 997 NE2 GLN A 120 48.578 45.312 12.823 1.00 11.29 N ATOM 998 HE22 GLN A 120 48.663 44.305 13.067 1.00 0.00 H ATOM 999 HE21 GLN A 120 48.124 45.972 13.487 1.00 0.00 H ATOM 1000 H GLN A 120 53.760 45.252 10.486 1.00 0.00 H ATOM 1001 N MET A 121 51.360 43.333 13.519 1.00 7.64 N ATOM 1002 CA MET A 121 51.030 42.020 14.067 1.00 10.23 C ATOM 1003 C MET A 121 49.636 41.624 13.591 1.00 9.75 C ATOM 1004 O MET A 121 48.770 42.484 13.422 1.00 12.17 O ATOM 1005 CB MET A 121 51.091 42.018 15.594 1.00 10.06 C ATOM 1006 CG MET A 121 52.420 42.503 16.164 1.00 14.60 C ATOM 1007 SD MET A 121 53.852 41.502 15.683 1.00 13.29 S ATOM 1008 CE MET A 121 53.449 39.950 16.467 1.00 13.38 C ATOM 1009 H MET A 121 51.149 44.188 14.072 1.00 0.00 H ATOM 1010 N HIS A 122 49.436 40.326 13.403 1.00 10.02 N ATOM 1011 CA HIS A 122 48.199 39.815 12.823 1.00 8.41 C ATOM 1012 C HIS A 122 47.308 39.139 13.849 1.00 13.25 C ATOM 1013 O HIS A 122 47.738 38.810 14.958 1.00 13.05 O ATOM 1014 CB HIS A 122 48.522 38.836 11.700 1.00 12.70 C ATOM 1015 CG HIS A 122 49.313 39.447 10.586 1.00 13.12 C ATOM 1016 ND1 HIS A 122 50.257 38.742 9.870 1.00 29.30 N ATOM 1017 CD2 HIS A 122 49.313 40.701 10.073 1.00 15.83 C ATOM 1018 CE1 HIS A 122 50.795 39.531 8.957 1.00 25.92 C ATOM 1019 NE2 HIS A 122 50.239 40.725 9.059 1.00 22.23 N ATOM 1020 H HIS A 122 50.182 39.655 13.677 1.00 0.00 H ATOM 1021 N TRP A 123 46.060 38.924 13.455 1.00 10.06 N ATOM 1022 CA TRP A 123 45.084 38.248 14.293 1.00 11.99 C ATOM 1023 C TRP A 123 44.610 37.010 13.545 1.00 17.22 C ATOM 1024 O TRP A 123 44.395 37.073 12.336 1.00 17.48 O ATOM 1025 CB TRP A 123 43.929 39.192 14.611 1.00 14.61 C ATOM 1026 CG TRP A 123 43.258 38.936 15.919 1.00 11.11 C ATOM 1027 CD1 TRP A 123 41.934 38.647 16.116 1.00 12.62 C ATOM 1028 CD2 TRP A 123 43.861 38.964 17.217 1.00 12.24 C ATOM 1029 NE1 TRP A 123 41.681 38.489 17.458 1.00 14.92 N ATOM 1030 CE2 TRP A 123 42.849 38.669 18.153 1.00 13.59 C ATOM 1031 CE3 TRP A 123 45.161 39.199 17.680 1.00 10.92 C ATOM 1032 CZ2 TRP A 123 43.087 38.609 19.514 1.00 12.39 C ATOM 1033 CZ3 TRP A 123 45.398 39.134 19.048 1.00 13.11 C ATOM 1034 CH2 TRP A 123 44.367 38.843 19.943 1.00 12.04 C ATOM 1035 HE1 TRP A 123 40.755 38.269 17.877 1.00 0.00 H ATOM 1036 H TRP A 123 45.769 39.251 12.512 1.00 0.00 H ATOM 1037 N PRO A 124 44.479 35.866 14.233 1.00 12.19 N ATOM 1038 CA PRO A 124 44.713 35.558 15.652 1.00 11.80 C ATOM 1039 C PRO A 124 46.196 35.580 16.005 1.00 11.63 C ATOM 1040 O PRO A 124 47.039 35.559 15.100 1.00 11.44 O ATOM 1041 CB PRO A 124 44.139 34.146 15.793 1.00 14.57 C ATOM 1042 CG PRO A 124 44.327 33.546 14.438 1.00 17.19 C ATOM 1043 CD PRO A 124 44.034 34.673 13.489 1.00 16.18 C ATOM 1044 N PRO A 125 46.511 35.646 17.308 1.00 10.10 N ATOM 1045 CA PRO A 125 47.912 35.691 17.728 1.00 11.27 C ATOM 1046 C PRO A 125 48.499 34.289 17.822 1.00 14.20 C ATOM 1047 O PRO A 125 48.814 33.796 18.912 1.00 15.22 O ATOM 1048 CB PRO A 125 47.836 36.364 19.097 1.00 10.36 C ATOM 1049 CG PRO A 125 46.501 35.918 19.650 1.00 9.64 C ATOM 1050 CD PRO A 125 45.577 35.737 18.449 1.00 9.99 C ATOM 1051 N GLY A 126 48.634 33.646 16.672 1.00 11.56 N ATOM 1052 CA GLY A 126 48.980 32.243 16.631 1.00 13.66 C ATOM 1053 C GLY A 126 47.752 31.379 16.823 1.00 18.35 C ATOM 1054 O GLY A 126 47.866 30.196 17.156 1.00 15.59 O ATOM 1055 OXT GLY A 126 46.612 31.842 16.653 1.00 16.72 O ATOM 1056 H GLY A 126 48.488 34.161 15.780 1.00 0.00 H TER 1057 GLY A 126 ATOM 1058 C GLY B 14 35.177 53.716 32.226 1.00 33.08 C ATOM 1059 O GLY B 14 35.631 52.647 31.816 1.00 36.71 O ATOM 1060 N GLY B 15 34.647 54.627 31.417 1.00 30.01 N ATOM 1061 CA GLY B 15 35.212 54.877 30.104 1.00 28.30 C ATOM 1062 C GLY B 15 34.219 54.859 28.959 1.00 32.60 C ATOM 1063 O GLY B 15 33.133 54.284 29.054 1.00 26.91 O ATOM 1064 H GLY B 15 33.816 55.168 31.729 1.00 0.00 H ATOM 1065 N ASP B 16 34.624 55.492 27.861 1.00 31.32 N ATOM 1066 CA ASP B 16 33.800 55.620 26.673 1.00 31.02 C ATOM 1067 C ASP B 16 34.168 54.600 25.594 1.00 23.68 C ATOM 1068 O ASP B 16 34.414 54.963 24.441 1.00 23.34 O ATOM 1069 CB ASP B 16 33.919 57.037 26.112 1.00 35.80 C ATOM 1070 CG ASP B 16 35.359 57.418 25.785 1.00 47.47 C ATOM 1071 OD1 ASP B 16 36.279 56.638 26.121 1.00 42.22 O ATOM 1072 OD2 ASP B 16 35.569 58.491 25.179 1.00 56.94 O ATOM 1073 H ASP B 16 35.574 55.914 27.854 1.00 0.00 H ATOM 1074 N THR B 17 34.219 53.329 25.973 1.00 15.61 N ATOM 1075 CA THR B 17 34.344 52.251 24.998 1.00 14.33 C ATOM 1076 C THR B 17 33.292 51.193 25.274 1.00 13.72 C ATOM 1077 O THR B 17 32.606 51.222 26.301 1.00 12.51 O ATOM 1078 CB THR B 17 35.735 51.567 25.012 1.00 13.71 C ATOM 1079 OG1 THR B 17 35.850 50.731 26.167 1.00 12.63 O ATOM 1080 CG2 THR B 17 36.864 52.594 25.000 1.00 12.34 C ATOM 1081 HG1 THR B 17 35.746 51.282 26.983 1.00 0.00 H ATOM 1082 H THR B 17 34.169 53.097 26.986 1.00 0.00 H ATOM 1083 N ILE B 18 33.184 50.239 24.362 1.00 10.54 N ATOM 1084 CA ILE B 18 32.286 49.120 24.537 1.00 13.56 C ATOM 1085 C ILE B 18 32.642 48.327 25.803 1.00 13.79 C ATOM 1086 O ILE B 18 31.766 47.758 26.433 1.00 10.33 O ATOM 1087 CB ILE B 18 32.287 48.209 23.274 1.00 13.32 C ATOM 1088 CG1 ILE B 18 31.178 47.162 23.348 1.00 17.15 C ATOM 1089 CG2 ILE B 18 33.639 47.573 23.044 1.00 13.29 C ATOM 1090 CD1 ILE B 18 30.572 46.828 22.009 1.00 14.77 C ATOM 1091 H ILE B 18 33.760 50.296 23.498 1.00 0.00 H ATOM 1092 N PHE B 19 33.911 48.326 26.204 1.00 10.54 N ATOM 1093 CA PHE B 19 34.286 47.587 27.415 1.00 10.49 C ATOM 1094 C PHE B 19 33.813 48.314 28.664 1.00 10.92 C ATOM 1095 O PHE B 19 33.511 47.683 29.677 1.00 10.86 O ATOM 1096 CB PHE B 19 35.795 47.357 27.479 1.00 11.18 C ATOM 1097 CG PHE B 19 36.293 46.307 26.519 1.00 8.43 C ATOM 1098 CD1 PHE B 19 35.412 45.553 25.770 1.00 9.01 C ATOM 1099 CD2 PHE B 19 37.650 46.078 26.375 1.00 10.71 C ATOM 1100 CE1 PHE B 19 35.855 44.592 24.884 1.00 11.96 C ATOM 1101 CE2 PHE B 19 38.104 45.111 25.495 1.00 9.49 C ATOM 1102 CZ PHE B 19 37.200 44.375 24.739 1.00 11.21 C ATOM 1103 H PHE B 19 34.632 48.845 25.663 1.00 0.00 H ATOM 1104 N GLY B 20 33.753 49.639 28.588 1.00 11.19 N ATOM 1105 CA GLY B 20 33.141 50.434 29.638 1.00 13.60 C ATOM 1106 C GLY B 20 31.670 50.098 29.809 1.00 13.02 C ATOM 1107 O GLY B 20 31.191 49.963 30.935 1.00 13.71 O ATOM 1108 H GLY B 20 34.154 50.118 27.757 1.00 0.00 H ATOM 1109 N LYS B 21 30.945 49.958 28.701 1.00 11.07 N ATOM 1110 CA LYS B 21 29.532 49.577 28.743 1.00 10.56 C ATOM 1111 C LYS B 21 29.360 48.199 29.368 1.00 11.93 C ATOM 1112 O LYS B 21 28.429 47.965 30.149 1.00 12.10 O ATOM 1113 CB LYS B 21 28.929 49.593 27.331 1.00 12.27 C ATOM 1114 CG LYS B 21 28.906 50.965 26.684 1.00 16.65 C ATOM 1115 CD LYS B 21 28.157 50.911 25.356 1.00 15.87 C ATOM 1116 CE LYS B 21 28.038 52.284 24.717 1.00 27.29 C ATOM 1117 NZ LYS B 21 29.369 52.807 24.293 1.00 31.63 N ATOM 1118 HZ1 LYS B 21 29.991 52.882 25.123 1.00 0.00 H ATOM 1119 HZ2 LYS B 21 29.791 52.156 23.600 1.00 0.00 H ATOM 1120 HZ3 LYS B 21 29.250 53.746 23.861 1.00 0.00 H ATOM 1121 H LYS B 21 31.396 50.124 27.779 1.00 0.00 H ATOM 1122 N ILE B 22 30.278 47.290 29.047 1.00 10.88 N ATOM 1123 CA ILE B 22 30.220 45.936 29.587 1.00 10.27 C ATOM 1124 C ILE B 22 30.462 45.953 31.111 1.00 10.76 C ATOM 1125 O ILE B 22 29.735 45.302 31.872 1.00 10.33 O ATOM 1126 CB ILE B 22 31.224 45.003 28.868 1.00 8.40 C ATOM 1127 CG1 ILE B 22 30.710 44.679 27.454 1.00 8.02 C ATOM 1128 CG2 ILE B 22 31.440 43.722 29.666 1.00 9.72 C ATOM 1129 CD1 ILE B 22 31.716 43.945 26.551 1.00 12.37 C ATOM 1130 H ILE B 22 31.050 47.550 28.400 1.00 0.00 H ATOM 1131 N ILE B 23 31.469 46.708 31.557 1.00 10.39 N ATOM 1132 CA ILE B 23 31.716 46.890 32.994 1.00 11.64 C ATOM 1133 C ILE B 23 30.493 47.455 33.725 1.00 12.88 C ATOM 1134 O ILE B 23 30.179 47.034 34.846 1.00 13.48 O ATOM 1135 CB ILE B 23 32.937 47.814 33.233 1.00 11.69 C ATOM 1136 CG1 ILE B 23 34.226 47.069 32.909 1.00 15.31 C ATOM 1137 CG2 ILE B 23 32.993 48.301 34.694 1.00 12.60 C ATOM 1138 CD1 ILE B 23 35.449 47.980 32.819 1.00 13.33 C ATOM 1139 H ILE B 23 32.093 47.178 30.871 1.00 0.00 H ATOM 1140 N ARG B 24 29.791 48.386 33.083 1.00 10.24 N ATOM 1141 CA ARG B 24 28.627 49.030 33.697 1.00 11.30 C ATOM 1142 C ARG B 24 27.346 48.197 33.583 1.00 10.20 C ATOM 1143 O ARG B 24 26.298 48.597 34.104 1.00 11.49 O ATOM 1144 CB ARG B 24 28.416 50.419 33.082 1.00 11.70 C ATOM 1145 CG ARG B 24 29.561 51.380 33.417 1.00 13.37 C ATOM 1146 CD ARG B 24 29.242 52.820 33.075 1.00 14.60 C ATOM 1147 NE ARG B 24 28.963 53.005 31.655 1.00 14.94 N ATOM 1148 CZ ARG B 24 29.894 53.266 30.746 1.00 18.66 C ATOM 1149 NH1 ARG B 24 31.168 53.385 31.113 1.00 20.44 N ATOM 1150 NH2 ARG B 24 29.549 53.418 29.470 1.00 21.40 N ATOM 1151 HE ARG B 24 27.976 52.928 31.336 1.00 0.00 H ATOM 1152 HH12 ARG B 24 31.897 53.590 30.401 1.00 0.00 H ATOM 1153 HH11 ARG B 24 31.434 53.273 32.112 1.00 0.00 H ATOM 1154 HH22 ARG B 24 30.276 53.623 28.755 1.00 0.00 H ATOM 1155 HH21 ARG B 24 28.552 53.332 29.187 1.00 0.00 H ATOM 1156 H ARG B 24 30.076 48.663 32.122 1.00 0.00 H ATOM 1157 N LYS B 25 27.454 47.034 32.934 1.00 8.59 N ATOM 1158 CA LYS B 25 26.367 46.071 32.752 1.00 10.51 C ATOM 1159 C LYS B 25 25.294 46.638 31.823 1.00 13.21 C ATOM 1160 O LYS B 25 24.154 46.181 31.833 1.00 13.83 O ATOM 1161 CB LYS B 25 25.766 45.653 34.108 1.00 10.62 C ATOM 1162 CG LYS B 25 26.835 45.259 35.141 1.00 10.35 C ATOM 1163 CD LYS B 25 27.679 44.070 34.688 1.00 13.69 C ATOM 1164 CE LYS B 25 28.887 43.855 35.617 1.00 15.38 C ATOM 1165 NZ LYS B 25 28.462 43.489 37.016 1.00 14.96 N ATOM 1166 HZ1 LYS B 25 27.879 44.254 37.411 1.00 0.00 H ATOM 1167 HZ2 LYS B 25 27.910 42.608 36.990 1.00 0.00 H ATOM 1168 HZ3 LYS B 25 29.306 43.353 37.609 1.00 0.00 H ATOM 1169 H LYS B 25 28.381 46.795 32.527 1.00 0.00 H ATOM 1170 N GLU B 26 25.679 47.605 30.992 1.00 12.76 N ATOM 1171 CA GLU B 26 24.741 48.231 30.052 1.00 12.07 C ATOM 1172 C GLU B 26 24.475 47.341 28.843 1.00 14.83 C ATOM 1173 O GLU B 26 23.409 47.409 28.223 1.00 17.14 O ATOM 1174 CB GLU B 26 25.275 49.590 29.592 1.00 14.31 C ATOM 1175 CG GLU B 26 25.256 50.654 30.680 1.00 13.68 C ATOM 1176 CD GLU B 26 26.036 51.899 30.305 1.00 18.00 C ATOM 1177 OE1 GLU B 26 26.496 51.995 29.148 1.00 24.85 O ATOM 1178 OE2 GLU B 26 26.182 52.794 31.159 1.00 17.81 O ATOM 1179 H GLU B 26 26.669 47.925 31.009 1.00 0.00 H ATOM 1180 N ILE B 27 25.460 46.529 28.485 1.00 14.31 N ATOM 1181 CA ILE B 27 25.268 45.549 27.425 1.00 16.48 C ATOM 1182 C ILE B 27 25.789 44.197 27.900 1.00 15.61 C ATOM 1183 O ILE B 27 26.724 44.132 28.714 1.00 18.36 O ATOM 1184 CB ILE B 27 25.972 45.958 26.114 1.00 19.52 C ATOM 1185 CG1 ILE B 27 27.478 46.054 26.318 1.00 14.34 C ATOM 1186 CG2 ILE B 27 25.436 47.282 25.587 1.00 18.53 C ATOM 1187 CD1 ILE B 27 28.226 46.121 25.020 1.00 17.68 C ATOM 1188 H ILE B 27 26.380 46.593 28.966 1.00 0.00 H ATOM 1189 N PRO B 28 25.191 43.107 27.403 1.00 14.73 N ATOM 1190 CA PRO B 28 25.569 41.792 27.924 1.00 16.95 C ATOM 1191 C PRO B 28 26.942 41.301 27.476 1.00 13.11 C ATOM 1192 O PRO B 28 27.491 41.709 26.447 1.00 12.57 O ATOM 1193 CB PRO B 28 24.479 40.873 27.376 1.00 18.72 C ATOM 1194 CG PRO B 28 23.954 41.579 26.170 1.00 21.47 C ATOM 1195 CD PRO B 28 24.020 43.032 26.513 1.00 16.33 C ATOM 1196 N ALA B 29 27.478 40.405 28.288 1.00 13.42 N ATOM 1197 CA ALA B 29 28.717 39.697 28.033 1.00 12.32 C ATOM 1198 C ALA B 29 28.635 38.437 28.874 1.00 13.01 C ATOM 1199 O ALA B 29 27.941 38.422 29.907 1.00 16.64 O ATOM 1200 CB ALA B 29 29.927 40.533 28.415 1.00 15.33 C ATOM 1201 H ALA B 29 26.974 40.193 29.173 1.00 0.00 H ATOM 1202 N LYS B 30 29.295 37.372 28.441 1.00 12.10 N ATOM 1203 CA LYS B 30 29.334 36.158 29.233 1.00 14.16 C ATOM 1204 C LYS B 30 30.432 36.305 30.278 1.00 12.22 C ATOM 1205 O LYS B 30 31.605 36.060 30.004 1.00 13.78 O ATOM 1206 CB LYS B 30 29.567 34.920 28.365 1.00 13.35 C ATOM 1207 CG LYS B 30 29.217 33.630 29.117 1.00 23.95 C ATOM 1208 CD LYS B 30 29.236 32.399 28.228 1.00 26.42 C ATOM 1209 CE LYS B 30 29.108 31.127 29.054 1.00 35.17 C ATOM 1210 NZ LYS B 30 29.225 29.895 28.220 1.00 38.71 N ATOM 1211 HZ1 LYS B 30 28.472 29.891 27.503 1.00 0.00 H ATOM 1212 HZ2 LYS B 30 30.153 29.883 27.750 1.00 0.00 H ATOM 1213 HZ3 LYS B 30 29.131 29.056 28.828 1.00 0.00 H ATOM 1214 H LYS B 30 29.789 37.407 27.526 1.00 0.00 H ATOM 1215 N ILE B 31 30.038 36.726 31.475 1.00 12.24 N ATOM 1216 CA ILE B 31 30.994 37.044 32.538 1.00 12.35 C ATOM 1217 C ILE B 31 31.500 35.776 33.211 1.00 11.12 C ATOM 1218 O ILE B 31 30.729 34.872 33.543 1.00 14.74 O ATOM 1219 CB ILE B 31 30.365 37.999 33.577 1.00 12.60 C ATOM 1220 CG1 ILE B 31 30.038 39.343 32.910 1.00 16.75 C ATOM 1221 CG2 ILE B 31 31.301 38.189 34.768 1.00 13.49 C ATOM 1222 CD1 ILE B 31 29.327 40.349 33.790 1.00 18.77 C ATOM 1223 H ILE B 31 29.021 36.833 31.663 1.00 0.00 H ATOM 1224 N ILE B 32 32.814 35.717 33.409 1.00 12.19 N ATOM 1225 CA ILE B 32 33.486 34.580 34.038 1.00 10.67 C ATOM 1226 C ILE B 32 33.802 34.848 35.496 1.00 14.12 C ATOM 1227 O ILE B 32 33.616 33.986 36.350 1.00 13.48 O ATOM 1228 CB ILE B 32 34.795 34.257 33.299 1.00 11.59 C ATOM 1229 CG1 ILE B 32 34.485 33.920 31.845 1.00 12.83 C ATOM 1230 CG2 ILE B 32 35.603 33.138 34.002 1.00 12.25 C ATOM 1231 CD1 ILE B 32 35.693 33.917 30.982 1.00 13.38 C ATOM 1232 H ILE B 32 33.395 36.522 33.100 1.00 0.00 H ATOM 1233 N PHE B 33 34.271 36.056 35.768 1.00 12.49 N ATOM 1234 CA PHE B 33 34.707 36.417 37.109 1.00 13.52 C ATOM 1235 C PHE B 33 34.646 37.920 37.268 1.00 9.53 C ATOM 1236 O PHE B 33 34.839 38.667 36.315 1.00 8.93 O ATOM 1237 CB PHE B 33 36.130 35.911 37.377 1.00 13.81 C ATOM 1238 CG PHE B 33 36.683 36.337 38.713 1.00 11.48 C ATOM 1239 CD1 PHE B 33 37.527 37.431 38.812 1.00 12.37 C ATOM 1240 CD2 PHE B 33 36.323 35.661 39.868 1.00 16.59 C ATOM 1241 CE1 PHE B 33 38.026 37.831 40.048 1.00 11.35 C ATOM 1242 CE2 PHE B 33 36.819 36.056 41.106 1.00 16.91 C ATOM 1243 CZ PHE B 33 37.666 37.136 41.191 1.00 15.07 C ATOM 1244 H PHE B 33 34.329 36.762 35.007 1.00 0.00 H ATOM 1245 N GLU B 34 34.371 38.367 38.481 1.00 9.40 N ATOM 1246 CA GLU B 34 34.407 39.790 38.763 1.00 9.86 C ATOM 1247 C GLU B 34 34.938 40.010 40.166 1.00 10.61 C ATOM 1248 O GLU B 34 34.669 39.211 41.066 1.00 9.82 O ATOM 1249 CB GLU B 34 33.013 40.407 38.608 1.00 9.98 C ATOM 1250 CG GLU B 34 32.975 41.926 38.755 1.00 10.96 C ATOM 1251 CD GLU B 34 31.635 42.534 38.359 1.00 13.50 C ATOM 1252 OE1 GLU B 34 30.699 41.778 37.997 1.00 12.83 O ATOM 1253 OE2 GLU B 34 31.525 43.776 38.397 1.00 15.05 O ATOM 1254 H GLU B 34 34.128 37.696 39.237 1.00 0.00 H ATOM 1255 N ASP B 35 35.696 41.081 40.358 1.00 8.75 N ATOM 1256 CA ASP B 35 35.923 41.546 41.722 1.00 7.62 C ATOM 1257 C ASP B 35 35.793 43.073 41.743 1.00 9.23 C ATOM 1258 O ASP B 35 35.069 43.645 40.917 1.00 11.29 O ATOM 1259 CB ASP B 35 37.264 41.027 42.291 1.00 8.16 C ATOM 1260 CG ASP B 35 38.477 41.466 41.505 1.00 12.90 C ATOM 1261 OD1 ASP B 35 38.406 42.483 40.788 1.00 10.32 O ATOM 1262 OD2 ASP B 35 39.523 40.792 41.657 1.00 11.47 O ATOM 1263 H ASP B 35 36.121 41.580 39.551 1.00 0.00 H ATOM 1264 N ASP B 36 36.430 43.736 42.698 1.00 10.57 N ATOM 1265 CA ASP B 36 36.231 45.172 42.841 1.00 9.30 C ATOM 1266 C ASP B 36 37.064 45.984 41.848 1.00 9.33 C ATOM 1267 O ASP B 36 36.883 47.189 41.736 1.00 10.07 O ATOM 1268 CB ASP B 36 36.533 45.625 44.283 1.00 9.85 C ATOM 1269 CG ASP B 36 37.973 45.369 44.716 1.00 13.35 C ATOM 1270 OD1 ASP B 36 38.667 44.523 44.111 1.00 10.67 O ATOM 1271 OD2 ASP B 36 38.401 46.014 45.699 1.00 12.15 O ATOM 1272 H ASP B 36 37.071 43.232 43.344 1.00 0.00 H ATOM 1273 N ARG B 37 37.953 45.326 41.115 1.00 10.62 N ATOM 1274 CA ARG B 37 38.910 46.079 40.304 1.00 8.97 C ATOM 1275 C ARG B 37 39.123 45.515 38.909 1.00 10.97 C ATOM 1276 O ARG B 37 39.854 46.115 38.109 1.00 7.84 O ATOM 1277 CB ARG B 37 40.266 46.181 41.035 1.00 11.78 C ATOM 1278 CG ARG B 37 40.963 44.854 41.322 1.00 9.72 C ATOM 1279 CD ARG B 37 42.029 45.011 42.434 1.00 8.45 C ATOM 1280 NE ARG B 37 41.404 45.270 43.730 1.00 11.53 N ATOM 1281 CZ ARG B 37 42.051 45.669 44.822 1.00 11.45 C ATOM 1282 NH1 ARG B 37 43.363 45.865 44.799 1.00 14.37 N ATOM 1283 NH2 ARG B 37 41.386 45.875 45.955 1.00 9.23 N ATOM 1284 HE ARG B 37 40.376 45.132 43.804 1.00 0.00 H ATOM 1285 HH12 ARG B 37 43.857 46.177 45.659 1.00 0.00 H ATOM 1286 HH11 ARG B 37 43.897 45.707 43.921 1.00 0.00 H ATOM 1287 HH22 ARG B 37 41.894 46.187 46.807 1.00 0.00 H ATOM 1288 HH21 ARG B 37 40.358 45.724 45.989 1.00 0.00 H ATOM 1289 H ARG B 37 37.969 44.286 41.117 1.00 0.00 H ATOM 1290 N CYS B 38 38.477 44.391 38.598 1.00 8.44 N ATOM 1291 CA CYS B 38 38.589 43.831 37.254 1.00 8.54 C ATOM 1292 C CYS B 38 37.384 42.967 36.889 1.00 9.46 C ATOM 1293 O CYS B 38 36.554 42.624 37.738 1.00 8.15 O ATOM 1294 CB CYS B 38 39.894 43.025 37.107 1.00 10.13 C ATOM 1295 SG CYS B 38 39.906 41.416 37.949 1.00 10.97 S ATOM 1296 H CYS B 38 37.893 43.913 39.313 1.00 0.00 H ATOM 1297 N LEU B 39 37.293 42.629 35.610 1.00 9.25 N ATOM 1298 CA LEU B 39 36.198 41.828 35.090 1.00 8.96 C ATOM 1299 C LEU B 39 36.756 40.855 34.070 1.00 10.35 C ATOM 1300 O LEU B 39 37.577 41.242 33.258 1.00 9.55 O ATOM 1301 CB LEU B 39 35.138 42.722 34.435 1.00 10.97 C ATOM 1302 CG LEU B 39 33.879 42.038 33.899 1.00 8.35 C ATOM 1303 CD1 LEU B 39 33.033 41.471 35.030 1.00 13.05 C ATOM 1304 CD2 LEU B 39 33.032 42.998 33.046 1.00 11.41 C ATOM 1305 H LEU B 39 38.034 42.949 34.954 1.00 0.00 H ATOM 1306 N ALA B 40 36.350 39.593 34.128 1.00 9.05 N ATOM 1307 CA ALA B 40 36.754 38.644 33.098 1.00 9.47 C ATOM 1308 C ALA B 40 35.519 38.157 32.372 1.00 10.39 C ATOM 1309 O ALA B 40 34.517 37.849 33.012 1.00 10.04 O ATOM 1310 CB ALA B 40 37.525 37.476 33.684 1.00 9.71 C ATOM 1311 H ALA B 40 35.741 39.280 34.911 1.00 0.00 H ATOM 1312 N PHE B 41 35.595 38.099 31.045 1.00 10.10 N ATOM 1313 CA PHE B 41 34.433 37.706 30.238 1.00 9.84 C ATOM 1314 C PHE B 41 34.864 37.130 28.898 1.00 10.93 C ATOM 1315 O PHE B 41 35.947 37.417 28.422 1.00 9.89 O ATOM 1316 CB PHE B 41 33.488 38.900 30.039 1.00 11.69 C ATOM 1317 CG PHE B 41 34.125 40.090 29.375 1.00 11.06 C ATOM 1318 CD1 PHE B 41 34.798 41.042 30.129 1.00 11.52 C ATOM 1319 CD2 PHE B 41 34.021 40.276 27.999 1.00 9.61 C ATOM 1320 CE1 PHE B 41 35.366 42.149 29.535 1.00 12.34 C ATOM 1321 CE2 PHE B 41 34.592 41.379 27.398 1.00 9.49 C ATOM 1322 CZ PHE B 41 35.274 42.315 28.161 1.00 11.05 C ATOM 1323 H PHE B 41 36.491 38.336 30.572 1.00 0.00 H ATOM 1324 N HIS B 42 34.004 36.318 28.287 1.00 9.09 N ATOM 1325 CA HIS B 42 34.357 35.657 27.044 1.00 10.63 C ATOM 1326 C HIS B 42 34.388 36.665 25.893 1.00 11.46 C ATOM 1327 O HIS B 42 33.539 37.554 25.804 1.00 12.98 O ATOM 1328 CB HIS B 42 33.373 34.516 26.745 1.00 13.68 C ATOM 1329 CG HIS B 42 33.486 33.354 27.683 1.00 11.17 C ATOM 1330 ND1 HIS B 42 34.392 32.333 27.499 1.00 13.64 N ATOM 1331 CD2 HIS B 42 32.802 33.050 28.811 1.00 14.75 C ATOM 1332 CE1 HIS B 42 34.258 31.447 28.470 1.00 13.56 C ATOM 1333 NE2 HIS B 42 33.303 31.861 29.282 1.00 15.10 N ATOM 1334 H HIS B 42 33.066 36.155 28.706 1.00 0.00 H ATOM 1335 N ASP B 43 35.377 36.525 25.015 1.00 8.91 N ATOM 1336 CA ASP B 43 35.481 37.385 23.839 1.00 10.38 C ATOM 1337 C ASP B 43 34.323 37.088 22.885 1.00 13.94 C ATOM 1338 O ASP B 43 34.003 35.924 22.644 1.00 14.16 O ATOM 1339 CB ASP B 43 36.831 37.167 23.147 1.00 12.12 C ATOM 1340 CG ASP B 43 37.229 38.320 22.238 1.00 18.14 C ATOM 1341 OD1 ASP B 43 36.611 38.483 21.164 1.00 12.84 O ATOM 1342 OD2 ASP B 43 38.193 39.039 22.576 1.00 26.58 O ATOM 1343 H ASP B 43 36.093 35.786 25.169 1.00 0.00 H ATOM 1344 N ILE B 44 33.694 38.133 22.354 1.00 9.43 N ATOM 1345 CA ILE B 44 32.557 37.937 21.461 1.00 12.20 C ATOM 1346 C ILE B 44 33.005 37.388 20.105 1.00 15.04 C ATOM 1347 O ILE B 44 32.205 36.817 19.370 1.00 13.49 O ATOM 1348 CB ILE B 44 31.764 39.240 21.267 1.00 9.28 C ATOM 1349 CG1 ILE B 44 30.366 38.941 20.703 1.00 10.12 C ATOM 1350 CG2 ILE B 44 32.559 40.251 20.452 1.00 13.39 C ATOM 1351 CD1 ILE B 44 29.461 40.151 20.670 1.00 17.73 C ATOM 1352 H ILE B 44 34.015 39.097 22.577 1.00 0.00 H ATOM 1353 N SER B 45 34.290 37.529 19.793 1.00 11.79 N ATOM 1354 CA SER B 45 34.831 37.010 18.540 1.00 12.80 C ATOM 1355 C SER B 45 36.004 36.083 18.831 1.00 12.28 C ATOM 1356 O SER B 45 37.167 36.451 18.621 1.00 15.08 O ATOM 1357 CB SER B 45 35.271 38.159 17.634 1.00 16.90 C ATOM 1358 OG SER B 45 35.801 37.670 16.409 1.00 20.20 O ATOM 1359 HG SER B 45 35.108 37.142 15.938 1.00 0.00 H ATOM 1360 H SER B 45 34.923 38.020 20.456 1.00 0.00 H ATOM 1361 N PRO B 46 35.716 34.876 19.341 1.00 13.77 N ATOM 1362 CA PRO B 46 36.800 34.023 19.851 1.00 13.98 C ATOM 1363 C PRO B 46 37.708 33.433 18.773 1.00 15.13 C ATOM 1364 O PRO B 46 37.252 33.021 17.704 1.00 16.38 O ATOM 1365 CB PRO B 46 36.050 32.913 20.590 1.00 18.13 C ATOM 1366 CG PRO B 46 34.709 32.854 19.908 1.00 13.50 C ATOM 1367 CD PRO B 46 34.386 34.272 19.543 1.00 16.26 C ATOM 1368 N GLN B 47 38.998 33.395 19.082 1.00 11.03 N ATOM 1369 CA GLN B 47 40.016 32.906 18.159 1.00 12.15 C ATOM 1370 C GLN B 47 40.529 31.537 18.587 1.00 16.70 C ATOM 1371 O GLN B 47 41.475 31.004 18.012 1.00 14.61 O ATOM 1372 CB GLN B 47 41.176 33.899 18.084 1.00 15.28 C ATOM 1373 CG GLN B 47 40.749 35.307 17.708 1.00 13.27 C ATOM 1374 CD GLN B 47 40.171 35.376 16.301 1.00 18.75 C ATOM 1375 OE1 GLN B 47 40.868 35.114 15.313 1.00 21.17 O ATOM 1376 NE2 GLN B 47 38.897 35.723 16.203 1.00 18.02 N ATOM 1377 HE22 GLN B 47 38.348 35.935 17.061 1.00 0.00 H ATOM 1378 HE21 GLN B 47 38.445 35.784 15.268 1.00 0.00 H ATOM 1379 H GLN B 47 39.295 33.728 20.021 1.00 0.00 H ATOM 1380 N ALA B 48 39.912 30.984 19.623 1.00 14.52 N ATOM 1381 CA ALA B 48 40.259 29.654 20.109 1.00 13.21 C ATOM 1382 C ALA B 48 39.040 29.091 20.818 1.00 12.16 C ATOM 1383 O ALA B 48 38.131 29.849 21.148 1.00 13.16 O ATOM 1384 CB ALA B 48 41.467 29.712 21.036 1.00 13.41 C ATOM 1385 H ALA B 48 39.158 31.515 20.103 1.00 0.00 H ATOM 1386 N PRO B 49 38.996 27.763 21.033 1.00 14.13 N ATOM 1387 CA PRO B 49 37.833 27.176 21.705 1.00 16.89 C ATOM 1388 C PRO B 49 37.516 27.863 23.035 1.00 13.07 C ATOM 1389 O PRO B 49 36.346 28.033 23.372 1.00 16.93 O ATOM 1390 CB PRO B 49 38.253 25.721 21.901 1.00 15.12 C ATOM 1391 CG PRO B 49 39.120 25.455 20.719 1.00 17.27 C ATOM 1392 CD PRO B 49 39.915 26.721 20.539 1.00 16.47 C ATOM 1393 N THR B 50 38.551 28.260 23.766 1.00 12.10 N ATOM 1394 CA THR B 50 38.385 29.180 24.886 1.00 12.47 C ATOM 1395 C THR B 50 39.154 30.460 24.605 1.00 12.16 C ATOM 1396 O THR B 50 40.352 30.432 24.317 1.00 12.27 O ATOM 1397 CB THR B 50 38.865 28.577 26.220 1.00 13.49 C ATOM 1398 OG1 THR B 50 38.072 27.421 26.526 1.00 17.39 O ATOM 1399 CG2 THR B 50 38.710 29.599 27.343 1.00 14.76 C ATOM 1400 HG1 THR B 50 38.172 26.752 25.803 1.00 0.00 H ATOM 1401 H THR B 50 39.502 27.907 23.535 1.00 0.00 H ATOM 1402 N HIS B 51 38.455 31.585 24.666 1.00 12.41 N ATOM 1403 CA HIS B 51 39.085 32.880 24.465 1.00 10.87 C ATOM 1404 C HIS B 51 38.353 33.897 25.315 1.00 10.57 C ATOM 1405 O HIS B 51 37.199 34.217 25.054 1.00 10.96 O ATOM 1406 CB HIS B 51 39.064 33.270 22.984 1.00 11.67 C ATOM 1407 CG HIS B 51 39.710 34.588 22.685 1.00 9.94 C ATOM 1408 ND1 HIS B 51 39.762 35.108 21.408 1.00 13.01 N ATOM 1409 CD2 HIS B 51 40.343 35.486 23.481 1.00 10.78 C ATOM 1410 CE1 HIS B 51 40.377 36.275 21.435 1.00 14.67 C ATOM 1411 NE2 HIS B 51 40.741 36.528 22.680 1.00 10.96 N ATOM 1412 H HIS B 51 37.435 31.540 24.862 1.00 0.00 H ATOM 1413 N PHE B 52 39.003 34.368 26.371 1.00 9.17 N ATOM 1414 CA PHE B 52 38.373 35.381 27.205 1.00 8.49 C ATOM 1415 C PHE B 52 39.307 36.562 27.474 1.00 10.28 C ATOM 1416 O PHE B 52 40.493 36.546 27.116 1.00 10.83 O ATOM 1417 CB PHE B 52 37.869 34.767 28.520 1.00 10.84 C ATOM 1418 CG PHE B 52 38.951 34.221 29.424 1.00 9.42 C ATOM 1419 CD1 PHE B 52 39.515 35.021 30.402 1.00 12.85 C ATOM 1420 CD2 PHE B 52 39.348 32.898 29.334 1.00 11.07 C ATOM 1421 CE1 PHE B 52 40.492 34.521 31.256 1.00 10.23 C ATOM 1422 CE2 PHE B 52 40.328 32.382 30.183 1.00 9.94 C ATOM 1423 CZ PHE B 52 40.896 33.198 31.152 1.00 12.75 C ATOM 1424 H PHE B 52 39.954 34.017 26.601 1.00 0.00 H ATOM 1425 N LEU B 53 38.733 37.599 28.070 1.00 8.88 N ATOM 1426 CA LEU B 53 39.430 38.841 28.371 1.00 10.62 C ATOM 1427 C LEU B 53 39.418 39.091 29.860 1.00 9.20 C ATOM 1428 O LEU B 53 38.454 38.761 30.522 1.00 11.19 O ATOM 1429 CB LEU B 53 38.769 40.024 27.651 1.00 11.87 C ATOM 1430 CG LEU B 53 38.619 39.937 26.134 1.00 11.08 C ATOM 1431 CD1 LEU B 53 38.054 41.243 25.635 1.00 15.24 C ATOM 1432 CD2 LEU B 53 39.950 39.666 25.485 1.00 12.94 C ATOM 1433 H LEU B 53 37.731 37.520 28.337 1.00 0.00 H ATOM 1434 N VAL B 54 40.501 39.664 30.384 1.00 8.94 N ATOM 1435 CA VAL B 54 40.496 40.214 31.735 1.00 9.66 C ATOM 1436 C VAL B 54 40.806 41.698 31.618 1.00 10.67 C ATOM 1437 O VAL B 54 41.845 42.070 31.041 1.00 11.03 O ATOM 1438 CB VAL B 54 41.528 39.545 32.654 1.00 10.07 C ATOM 1439 CG1 VAL B 54 41.314 40.006 34.095 1.00 9.46 C ATOM 1440 CG2 VAL B 54 41.430 38.039 32.555 1.00 10.43 C ATOM 1441 H VAL B 54 41.370 39.720 29.816 1.00 0.00 H ATOM 1442 N ILE B 55 39.915 42.547 32.131 1.00 7.36 N ATOM 1443 CA ILE B 55 40.098 43.996 31.995 1.00 8.50 C ATOM 1444 C ILE B 55 39.992 44.691 33.342 1.00 10.58 C ATOM 1445 O ILE B 55 39.224 44.256 34.207 1.00 10.23 O ATOM 1446 CB ILE B 55 39.082 44.623 30.998 1.00 8.91 C ATOM 1447 CG1 ILE B 55 37.686 44.721 31.607 1.00 12.35 C ATOM 1448 CG2 ILE B 55 39.052 43.824 29.706 1.00 11.30 C ATOM 1449 CD1 ILE B 55 36.691 45.354 30.655 1.00 11.91 C ATOM 1450 H ILE B 55 39.082 42.178 32.633 1.00 0.00 H ATOM 1451 N PRO B 56 40.786 45.757 33.544 1.00 8.44 N ATOM 1452 CA PRO B 56 40.637 46.539 34.774 1.00 11.20 C ATOM 1453 C PRO B 56 39.382 47.404 34.730 1.00 11.31 C ATOM 1454 O PRO B 56 38.941 47.819 33.657 1.00 10.70 O ATOM 1455 CB PRO B 56 41.907 47.405 34.791 1.00 8.26 C ATOM 1456 CG PRO B 56 42.145 47.664 33.312 1.00 10.87 C ATOM 1457 CD PRO B 56 41.780 46.353 32.625 1.00 10.96 C ATOM 1458 N LYS B 57 38.798 47.671 35.887 1.00 12.47 N ATOM 1459 CA LYS B 57 37.684 48.602 35.927 1.00 9.47 C ATOM 1460 C LYS B 57 38.191 50.038 35.759 1.00 11.26 C ATOM 1461 O LYS B 57 37.482 50.894 35.218 1.00 16.56 O ATOM 1462 CB LYS B 57 36.888 48.416 37.223 1.00 9.06 C ATOM 1463 CG LYS B 57 36.163 47.070 37.236 1.00 12.58 C ATOM 1464 CD LYS B 57 35.255 46.905 38.427 1.00 11.39 C ATOM 1465 CE LYS B 57 34.280 45.758 38.206 1.00 14.03 C ATOM 1466 NZ LYS B 57 33.516 45.472 39.441 1.00 12.27 N ATOM 1467 HZ1 LYS B 57 34.175 45.211 40.202 1.00 0.00 H ATOM 1468 HZ2 LYS B 57 32.981 46.319 39.720 1.00 0.00 H ATOM 1469 HZ3 LYS B 57 32.858 44.686 39.266 1.00 0.00 H ATOM 1470 H LYS B 57 39.134 47.218 36.761 1.00 0.00 H ATOM 1471 N LYS B 58 39.419 50.297 36.200 1.00 12.20 N ATOM 1472 CA LYS B 58 40.073 51.571 35.907 1.00 13.56 C ATOM 1473 C LYS B 58 40.273 51.717 34.398 1.00 11.93 C ATOM 1474 O LYS B 58 40.797 50.806 33.767 1.00 13.74 O ATOM 1475 CB LYS B 58 41.417 51.655 36.622 1.00 11.45 C ATOM 1476 CG LYS B 58 42.133 52.981 36.446 1.00 17.00 C ATOM 1477 CD LYS B 58 43.408 53.009 37.279 1.00 19.66 C ATOM 1478 CE LYS B 58 44.253 54.244 37.007 1.00 23.11 C ATOM 1479 NZ LYS B 58 45.509 54.225 37.821 1.00 22.59 N ATOM 1480 HZ1 LYS B 58 45.265 54.203 38.832 1.00 0.00 H ATOM 1481 HZ2 LYS B 58 46.065 53.380 37.579 1.00 0.00 H ATOM 1482 HZ3 LYS B 58 46.066 55.079 37.616 1.00 0.00 H ATOM 1483 H LYS B 58 39.922 49.581 36.762 1.00 0.00 H ATOM 1484 N HIS B 59 39.854 52.838 33.812 1.00 13.69 N ATOM 1485 CA HIS B 59 40.007 52.979 32.368 1.00 16.28 C ATOM 1486 C HIS B 59 41.417 53.427 32.032 1.00 18.34 C ATOM 1487 O HIS B 59 41.703 54.620 31.921 1.00 18.09 O ATOM 1488 CB HIS B 59 38.997 53.952 31.754 1.00 17.91 C ATOM 1489 CG HIS B 59 39.076 54.005 30.260 1.00 20.82 C ATOM 1490 ND1 HIS B 59 38.425 54.955 29.501 1.00 28.77 N ATOM 1491 CD2 HIS B 59 39.734 53.210 29.381 1.00 23.84 C ATOM 1492 CE1 HIS B 59 38.681 54.744 28.222 1.00 30.01 C ATOM 1493 NE2 HIS B 59 39.476 53.693 28.123 1.00 17.68 N ATOM 1494 H HIS B 59 39.425 53.600 34.375 1.00 0.00 H ATOM 1495 N ILE B 60 42.288 52.444 31.873 1.00 12.83 N ATOM 1496 CA ILE B 60 43.601 52.653 31.285 1.00 11.16 C ATOM 1497 C ILE B 60 43.420 52.391 29.798 1.00 13.50 C ATOM 1498 O ILE B 60 42.971 51.317 29.411 1.00 13.71 O ATOM 1499 CB ILE B 60 44.658 51.721 31.888 1.00 10.45 C ATOM 1500 CG1 ILE B 60 44.703 51.879 33.408 1.00 13.53 C ATOM 1501 CG2 ILE B 60 46.027 52.014 31.310 1.00 12.71 C ATOM 1502 CD1 ILE B 60 45.570 50.842 34.068 1.00 14.20 C ATOM 1503 H ILE B 60 42.024 51.486 32.180 1.00 0.00 H ATOM 1504 N SER B 61 43.719 53.372 28.958 1.00 12.37 N ATOM 1505 CA SER B 61 43.364 53.227 27.537 1.00 11.57 C ATOM 1506 C SER B 61 44.238 52.203 26.803 1.00 11.92 C ATOM 1507 O SER B 61 43.797 51.567 25.849 1.00 13.12 O ATOM 1508 CB SER B 61 43.443 54.576 26.827 1.00 16.12 C ATOM 1509 OG SER B 61 44.782 55.015 26.719 1.00 15.46 O ATOM 1510 HG SER B 61 44.805 55.890 26.256 1.00 0.00 H ATOM 1511 H SER B 61 44.197 54.231 29.298 1.00 0.00 H ATOM 1512 N GLN B 62 45.478 52.045 27.255 1.00 11.94 N ATOM 1513 CA GLN B 62 46.440 51.162 26.596 1.00 12.04 C ATOM 1514 C GLN B 62 47.606 50.966 27.537 1.00 12.50 C ATOM 1515 O GLN B 62 47.830 51.805 28.397 1.00 12.73 O ATOM 1516 CB GLN B 62 46.914 51.744 25.264 1.00 14.63 C ATOM 1517 CG GLN B 62 47.511 53.122 25.387 1.00 12.14 C ATOM 1518 CD GLN B 62 47.187 53.996 24.191 1.00 19.88 C ATOM 1519 OE1 GLN B 62 47.841 53.910 23.151 1.00 22.55 O ATOM 1520 NE2 GLN B 62 46.177 54.841 24.333 1.00 18.98 N ATOM 1521 HE22 GLN B 62 45.653 54.879 25.230 1.00 0.00 H ATOM 1522 HE21 GLN B 62 45.908 55.467 23.547 1.00 0.00 H ATOM 1523 H GLN B 62 45.774 52.566 28.105 1.00 0.00 H ATOM 1524 N ILE B 63 48.332 49.863 27.386 1.00 9.85 N ATOM 1525 CA ILE B 63 49.393 49.529 28.341 1.00 10.36 C ATOM 1526 C ILE B 63 50.516 50.567 28.293 1.00 12.23 C ATOM 1527 O ILE B 63 51.163 50.814 29.302 1.00 13.71 O ATOM 1528 CB ILE B 63 49.948 48.096 28.092 1.00 12.84 C ATOM 1529 CG1 ILE B 63 50.875 47.648 29.220 1.00 18.96 C ATOM 1530 CG2 ILE B 63 50.643 47.998 26.733 1.00 12.31 C ATOM 1531 CD1 ILE B 63 50.187 47.578 30.556 1.00 17.62 C ATOM 1532 H ILE B 63 48.145 49.230 26.582 1.00 0.00 H ATOM 1533 N SER B 64 50.717 51.217 27.148 1.00 12.16 N ATOM 1534 CA SER B 64 51.793 52.200 27.051 1.00 12.01 C ATOM 1535 C SER B 64 51.583 53.429 27.944 1.00 12.06 C ATOM 1536 O SER B 64 52.538 54.170 28.199 1.00 17.04 O ATOM 1537 CB SER B 64 51.984 52.658 25.606 1.00 13.19 C ATOM 1538 OG SER B 64 50.852 53.379 25.153 1.00 14.91 O ATOM 1539 HG SER B 64 50.998 53.665 24.217 1.00 0.00 H ATOM 1540 H SER B 64 50.110 51.025 26.326 1.00 0.00 H ATOM 1541 N VAL B 65 50.362 53.639 28.448 1.00 12.90 N ATOM 1542 CA VAL B 65 50.126 54.780 29.333 1.00 15.74 C ATOM 1543 C VAL B 65 49.942 54.371 30.795 1.00 13.44 C ATOM 1544 O VAL B 65 49.652 55.216 31.645 1.00 20.41 O ATOM 1545 CB VAL B 65 48.893 55.616 28.901 1.00 15.44 C ATOM 1546 CG1 VAL B 65 49.015 56.039 27.450 1.00 20.64 C ATOM 1547 CG2 VAL B 65 47.592 54.851 29.128 1.00 18.03 C ATOM 1548 H VAL B 65 49.582 52.993 28.211 1.00 0.00 H ATOM 1549 N ALA B 66 50.116 53.086 31.092 1.00 12.17 N ATOM 1550 CA ALA B 66 50.060 52.630 32.482 1.00 14.87 C ATOM 1551 C ALA B 66 51.225 53.237 33.258 1.00 19.44 C ATOM 1552 O ALA B 66 52.330 53.367 32.730 1.00 23.03 O ATOM 1553 CB ALA B 66 50.096 51.111 32.564 1.00 16.17 C ATOM 1554 H ALA B 66 50.293 52.400 30.331 1.00 0.00 H ATOM 1555 N GLU B 67 50.961 53.618 34.503 1.00 21.77 N ATOM 1556 CA GLU B 67 51.982 54.222 35.355 1.00 27.06 C ATOM 1557 C GLU B 67 52.544 53.209 36.341 1.00 22.80 C ATOM 1558 O GLU B 67 52.023 52.102 36.479 1.00 21.39 O ATOM 1559 CB GLU B 67 51.413 55.426 36.104 1.00 28.50 C ATOM 1560 H GLU B 67 50.002 53.483 34.881 1.00 0.00 H ATOM 1561 N ASP B 68 53.614 53.593 37.030 1.00 20.74 N ATOM 1562 CA ASP B 68 54.258 52.713 37.991 1.00 21.21 C ATOM 1563 C ASP B 68 53.280 52.265 39.074 1.00 17.07 C ATOM 1564 O ASP B 68 53.327 51.122 39.520 1.00 21.28 O ATOM 1565 CB ASP B 68 55.467 53.410 38.618 1.00 26.14 C ATOM 1566 CG ASP B 68 56.404 53.992 37.578 1.00 35.95 C ATOM 1567 OD1 ASP B 68 56.399 53.491 36.434 1.00 35.47 O ATOM 1568 OD2 ASP B 68 57.145 54.947 37.901 1.00 36.65 O ATOM 1569 H ASP B 68 54.000 54.547 36.878 1.00 0.00 H ATOM 1570 N ASP B 69 52.391 53.167 39.479 1.00 19.27 N ATOM 1571 CA ASP B 69 51.411 52.870 40.523 1.00 24.31 C ATOM 1572 C ASP B 69 50.412 51.787 40.104 1.00 20.40 C ATOM 1573 O ASP B 69 49.713 51.231 40.950 1.00 18.67 O ATOM 1574 CB ASP B 69 50.657 54.143 40.921 1.00 26.90 C ATOM 1575 H ASP B 69 52.393 54.110 39.041 1.00 0.00 H ATOM 1576 N ASP B 70 50.363 51.484 38.806 1.00 18.77 N ATOM 1577 CA ASP B 70 49.455 50.467 38.261 1.00 16.78 C ATOM 1578 C ASP B 70 50.046 49.065 38.299 1.00 13.43 C ATOM 1579 O ASP B 70 49.436 48.118 37.811 1.00 13.86 O ATOM 1580 CB ASP B 70 49.086 50.790 36.808 1.00 22.55 C ATOM 1581 CG ASP B 70 48.230 52.031 36.672 1.00 20.43 C ATOM 1582 OD1 ASP B 70 47.241 52.173 37.421 1.00 18.26 O ATOM 1583 OD2 ASP B 70 48.548 52.866 35.796 1.00 22.14 O ATOM 1584 H ASP B 70 50.995 51.989 38.152 1.00 0.00 H ATOM 1585 N GLU B 71 51.258 48.936 38.826 1.00 15.46 N ATOM 1586 CA GLU B 71 51.952 47.654 38.832 1.00 16.87 C ATOM 1587 C GLU B 71 51.106 46.529 39.418 1.00 15.92 C ATOM 1588 O GLU B 71 50.938 45.483 38.783 1.00 14.35 O ATOM 1589 CB GLU B 71 53.267 47.770 39.606 1.00 23.93 C ATOM 1590 CG GLU B 71 53.878 46.435 40.009 1.00 24.19 C ATOM 1591 CD GLU B 71 55.098 46.597 40.897 1.00 26.23 C ATOM 1592 OE1 GLU B 71 55.013 46.276 42.102 1.00 29.94 O ATOM 1593 OE2 GLU B 71 56.141 47.053 40.386 1.00 22.28 O ATOM 1594 H GLU B 71 51.722 49.768 39.244 1.00 0.00 H ATOM 1595 N SER B 72 50.583 46.753 40.624 1.00 16.46 N ATOM 1596 CA SER B 72 49.806 45.744 41.334 1.00 13.97 C ATOM 1597 C SER B 72 48.586 45.356 40.499 1.00 14.61 C ATOM 1598 O SER B 72 48.273 44.174 40.349 1.00 16.40 O ATOM 1599 CB SER B 72 49.376 46.264 42.717 1.00 14.78 C ATOM 1600 OG SER B 72 48.393 45.427 43.309 1.00 25.86 O ATOM 1601 HG SER B 72 48.761 44.514 43.419 1.00 0.00 H ATOM 1602 H SER B 72 50.734 47.679 41.073 1.00 0.00 H ATOM 1603 N LEU B 73 47.927 46.360 39.935 1.00 11.94 N ATOM 1604 CA LEU B 73 46.705 46.126 39.169 1.00 10.02 C ATOM 1605 C LEU B 73 46.980 45.268 37.936 1.00 12.66 C ATOM 1606 O LEU B 73 46.195 44.371 37.595 1.00 11.07 O ATOM 1607 CB LEU B 73 46.061 47.451 38.759 1.00 11.44 C ATOM 1608 CG LEU B 73 44.812 47.367 37.876 1.00 12.28 C ATOM 1609 CD1 LEU B 73 43.672 46.643 38.603 1.00 13.96 C ATOM 1610 CD2 LEU B 73 44.382 48.767 37.477 1.00 15.88 C ATOM 1611 H LEU B 73 48.286 47.330 40.040 1.00 0.00 H ATOM 1612 N LEU B 74 48.087 45.539 37.257 1.00 12.29 N ATOM 1613 CA LEU B 74 48.386 44.802 36.042 1.00 11.03 C ATOM 1614 C LEU B 74 48.702 43.357 36.371 1.00 10.50 C ATOM 1615 O LEU B 74 48.279 42.440 35.651 1.00 9.98 O ATOM 1616 CB LEU B 74 49.543 45.456 35.284 1.00 11.84 C ATOM 1617 CG LEU B 74 49.215 46.851 34.749 1.00 11.76 C ATOM 1618 CD1 LEU B 74 50.470 47.485 34.150 1.00 15.30 C ATOM 1619 CD2 LEU B 74 48.087 46.797 33.726 1.00 14.87 C ATOM 1620 H LEU B 74 48.738 46.277 37.594 1.00 0.00 H ATOM 1621 N GLY B 75 49.458 43.152 37.446 1.00 8.77 N ATOM 1622 CA GLY B 75 49.752 41.811 37.908 1.00 10.47 C ATOM 1623 C GLY B 75 48.479 41.089 38.303 1.00 10.14 C ATOM 1624 O GLY B 75 48.338 39.884 38.072 1.00 11.69 O ATOM 1625 H GLY B 75 49.844 43.968 37.963 1.00 0.00 H ATOM 1626 N HIS B 76 47.544 41.835 38.890 1.00 10.20 N ATOM 1627 CA HIS B 76 46.260 41.276 39.258 1.00 10.30 C ATOM 1628 C HIS B 76 45.507 40.731 38.037 1.00 10.92 C ATOM 1629 O HIS B 76 44.919 39.658 38.102 1.00 10.15 O ATOM 1630 CB HIS B 76 45.411 42.327 39.970 1.00 13.48 C ATOM 1631 CG HIS B 76 44.174 41.772 40.606 1.00 10.80 C ATOM 1632 ND1 HIS B 76 44.214 40.917 41.686 1.00 15.15 N ATOM 1633 CD2 HIS B 76 42.866 41.924 40.290 1.00 11.23 C ATOM 1634 CE1 HIS B 76 42.980 40.592 42.033 1.00 16.24 C ATOM 1635 NE2 HIS B 76 42.144 41.189 41.205 1.00 11.43 N ATOM 1636 H HIS B 76 47.740 42.837 39.087 1.00 0.00 H ATOM 1637 N LEU B 77 45.567 41.450 36.920 1.00 10.89 N ATOM 1638 CA LEU B 77 44.962 40.971 35.676 1.00 10.52 C ATOM 1639 C LEU B 77 45.532 39.601 35.288 1.00 10.12 C ATOM 1640 O LEU B 77 44.791 38.693 34.919 1.00 10.56 O ATOM 1641 CB LEU B 77 45.188 41.975 34.536 1.00 10.64 C ATOM 1642 CG LEU B 77 44.600 43.371 34.771 1.00 10.42 C ATOM 1643 CD1 LEU B 77 44.769 44.222 33.539 1.00 11.60 C ATOM 1644 CD2 LEU B 77 43.123 43.276 35.141 1.00 14.97 C ATOM 1645 H LEU B 77 46.053 42.370 36.930 1.00 0.00 H ATOM 1646 N MET B 78 46.849 39.438 35.417 1.00 9.33 N ATOM 1647 CA MET B 78 47.482 38.182 35.041 1.00 12.35 C ATOM 1648 C MET B 78 47.142 37.052 36.011 1.00 11.58 C ATOM 1649 O MET B 78 46.918 35.924 35.590 1.00 11.23 O ATOM 1650 CB MET B 78 48.993 38.356 34.954 1.00 11.82 C ATOM 1651 CG MET B 78 49.619 37.649 33.777 1.00 16.09 C ATOM 1652 SD MET B 78 51.368 38.038 33.671 1.00 19.04 S ATOM 1653 CE MET B 78 51.313 39.785 34.117 1.00 13.57 C ATOM 1654 H MET B 78 47.430 40.216 35.790 1.00 0.00 H ATOM 1655 N ILE B 79 47.112 37.347 37.315 1.00 11.07 N ATOM 1656 CA ILE B 79 46.766 36.313 38.289 1.00 13.26 C ATOM 1657 C ILE B 79 45.308 35.868 38.102 1.00 11.27 C ATOM 1658 O ILE B 79 45.004 34.668 38.118 1.00 10.13 O ATOM 1659 CB ILE B 79 46.992 36.791 39.727 1.00 9.00 C ATOM 1660 CG1 ILE B 79 48.490 36.885 40.020 1.00 14.48 C ATOM 1661 CG2 ILE B 79 46.348 35.821 40.718 1.00 14.16 C ATOM 1662 CD1 ILE B 79 49.195 35.547 39.960 1.00 16.82 C ATOM 1663 H ILE B 79 47.335 38.311 37.636 1.00 0.00 H ATOM 1664 N VAL B 80 44.417 36.830 37.874 1.00 10.81 N ATOM 1665 CA VAL B 80 43.021 36.511 37.587 1.00 9.09 C ATOM 1666 C VAL B 80 42.904 35.704 36.280 1.00 12.52 C ATOM 1667 O VAL B 80 42.163 34.721 36.206 1.00 11.85 O ATOM 1668 CB VAL B 80 42.164 37.789 37.524 1.00 8.84 C ATOM 1669 CG1 VAL B 80 40.778 37.496 36.924 1.00 9.04 C ATOM 1670 CG2 VAL B 80 42.005 38.379 38.928 1.00 11.08 C ATOM 1671 H VAL B 80 44.720 37.825 37.901 1.00 0.00 H ATOM 1672 N GLY B 81 43.682 36.074 35.272 1.00 11.67 N ATOM 1673 CA GLY B 81 43.701 35.313 34.029 1.00 10.44 C ATOM 1674 C GLY B 81 44.135 33.867 34.258 1.00 11.12 C ATOM 1675 O GLY B 81 43.526 32.936 33.735 1.00 13.03 O ATOM 1676 H GLY B 81 44.285 36.916 35.369 1.00 0.00 H ATOM 1677 N LYS B 82 45.197 33.688 35.042 1.00 9.77 N ATOM 1678 CA LYS B 82 45.711 32.363 35.381 1.00 14.02 C ATOM 1679 C LYS B 82 44.642 31.547 36.097 1.00 13.78 C ATOM 1680 O LYS B 82 44.418 30.375 35.789 1.00 11.72 O ATOM 1681 CB LYS B 82 46.969 32.480 36.264 1.00 19.09 C ATOM 1682 CG LYS B 82 47.105 31.408 37.343 1.00 20.16 C ATOM 1683 CD LYS B 82 48.090 31.816 38.428 1.00 26.47 C ATOM 1684 CE LYS B 82 47.617 31.387 39.816 1.00 28.43 C ATOM 1685 NZ LYS B 82 47.442 29.917 39.959 1.00 30.41 N ATOM 1686 HZ1 LYS B 82 46.734 29.585 39.273 1.00 0.00 H ATOM 1687 HZ2 LYS B 82 48.350 29.442 39.780 1.00 0.00 H ATOM 1688 HZ3 LYS B 82 47.120 29.700 40.924 1.00 0.00 H ATOM 1689 H LYS B 82 45.679 34.525 35.428 1.00 0.00 H ATOM 1690 N LYS B 83 43.978 32.177 37.058 1.00 11.17 N ATOM 1691 CA LYS B 83 42.975 31.484 37.852 1.00 11.45 C ATOM 1692 C LYS B 83 41.758 31.112 37.018 1.00 13.74 C ATOM 1693 O LYS B 83 41.226 30.009 37.141 1.00 16.84 O ATOM 1694 CB LYS B 83 42.572 32.339 39.058 1.00 15.19 C ATOM 1695 CG LYS B 83 43.660 32.404 40.129 1.00 16.93 C ATOM 1696 CD LYS B 83 43.242 33.214 41.346 1.00 13.20 C ATOM 1697 CE LYS B 83 44.375 33.243 42.374 1.00 20.81 C ATOM 1698 NZ LYS B 83 44.044 34.064 43.584 1.00 20.77 N ATOM 1699 HZ1 LYS B 83 43.853 35.044 43.295 1.00 0.00 H ATOM 1700 HZ2 LYS B 83 43.203 33.669 44.050 1.00 0.00 H ATOM 1701 HZ3 LYS B 83 44.848 34.046 44.244 1.00 0.00 H ATOM 1702 H LYS B 83 44.177 33.180 37.246 1.00 0.00 H ATOM 1703 N CYS B 84 41.320 32.030 36.165 1.00 13.17 N ATOM 1704 CA CYS B 84 40.192 31.758 35.279 1.00 13.11 C ATOM 1705 C CYS B 84 40.511 30.663 34.260 1.00 12.99 C ATOM 1706 O CYS B 84 39.661 29.835 33.939 1.00 13.39 O ATOM 1707 CB CYS B 84 39.769 33.038 34.563 1.00 14.00 C ATOM 1708 SG CYS B 84 38.936 34.233 35.630 1.00 14.75 S ATOM 1709 H CYS B 84 41.788 32.958 36.127 1.00 0.00 H ATOM 1710 N ALA B 85 41.733 30.666 33.741 1.00 10.36 N ATOM 1711 CA ALA B 85 42.166 29.623 32.818 1.00 12.03 C ATOM 1712 C ALA B 85 42.070 28.242 33.468 1.00 13.10 C ATOM 1713 O ALA B 85 41.567 27.292 32.870 1.00 16.79 O ATOM 1714 CB ALA B 85 43.583 29.891 32.346 1.00 11.72 C ATOM 1715 H ALA B 85 42.394 31.427 33.998 1.00 0.00 H ATOM 1716 N ALA B 86 42.557 28.142 34.702 1.00 13.47 N ATOM 1717 CA ALA B 86 42.440 26.907 35.467 1.00 15.85 C ATOM 1718 C ALA B 86 40.977 26.527 35.692 1.00 14.81 C ATOM 1719 O ALA B 86 40.588 25.381 35.471 1.00 18.19 O ATOM 1720 CB ALA B 86 43.166 27.048 36.803 1.00 17.33 C ATOM 1721 H ALA B 86 43.031 28.963 35.130 1.00 0.00 H ATOM 1722 N ASP B 87 40.166 27.490 36.118 1.00 15.15 N ATOM 1723 CA ASP B 87 38.744 27.238 36.365 1.00 17.78 C ATOM 1724 C ASP B 87 37.998 26.798 35.097 1.00 17.10 C ATOM 1725 O ASP B 87 37.001 26.087 35.181 1.00 18.76 O ATOM 1726 CB ASP B 87 38.071 28.483 36.957 1.00 17.76 C ATOM 1727 CG ASP B 87 38.440 28.713 38.419 1.00 27.76 C ATOM 1728 OD1 ASP B 87 39.048 27.810 39.038 1.00 23.71 O ATOM 1729 OD2 ASP B 87 38.127 29.801 38.947 1.00 31.26 O ATOM 1730 H ASP B 87 40.549 28.443 36.280 1.00 0.00 H ATOM 1731 N LEU B 88 38.480 27.211 33.924 1.00 17.72 N ATOM 1732 CA LEU B 88 37.815 26.851 32.676 1.00 16.40 C ATOM 1733 C LEU B 88 38.412 25.581 32.080 1.00 18.86 C ATOM 1734 O LEU B 88 38.017 25.146 30.996 1.00 21.20 O ATOM 1735 CB LEU B 88 37.892 28.008 31.680 1.00 13.38 C ATOM 1736 CG LEU B 88 36.977 29.190 31.995 1.00 16.67 C ATOM 1737 CD1 LEU B 88 37.359 30.403 31.160 1.00 14.74 C ATOM 1738 CD2 LEU B 88 35.523 28.823 31.740 1.00 19.56 C ATOM 1739 H LEU B 88 39.339 27.796 33.899 1.00 0.00 H ATOM 1740 N GLY B 89 39.367 24.993 32.799 1.00 18.58 N ATOM 1741 CA GLY B 89 39.926 23.701 32.438 1.00 19.15 C ATOM 1742 C GLY B 89 41.079 23.713 31.451 1.00 18.01 C ATOM 1743 O GLY B 89 41.362 22.696 30.821 1.00 19.92 O ATOM 1744 H GLY B 89 39.725 25.475 33.648 1.00 0.00 H ATOM 1745 N LEU B 90 41.752 24.852 31.320 1.00 15.84 N ATOM 1746 CA LEU B 90 42.845 24.980 30.355 1.00 16.47 C ATOM 1747 C LEU B 90 44.166 24.442 30.900 1.00 19.24 C ATOM 1748 O LEU B 90 45.201 25.105 30.827 1.00 19.93 O ATOM 1749 CB LEU B 90 43.018 26.440 29.937 1.00 16.88 C ATOM 1750 CG LEU B 90 41.802 27.124 29.312 1.00 16.16 C ATOM 1751 CD1 LEU B 90 42.179 28.503 28.789 1.00 17.61 C ATOM 1752 CD2 LEU B 90 41.189 26.269 28.209 1.00 21.66 C ATOM 1753 H LEU B 90 41.497 25.667 31.914 1.00 0.00 H ATOM 1754 N ASN B 91 44.141 23.224 31.422 1.00 15.75 N ATOM 1755 CA ASN B 91 45.320 22.678 32.087 1.00 16.06 C ATOM 1756 C ASN B 91 46.384 22.159 31.124 1.00 16.81 C ATOM 1757 O ASN B 91 47.500 21.847 31.536 1.00 19.01 O ATOM 1758 CB ASN B 91 44.893 21.578 33.060 1.00 22.39 C ATOM 1759 CG ASN B 91 43.990 22.104 34.169 1.00 27.19 C ATOM 1760 OD1 ASN B 91 42.845 21.670 34.320 1.00 30.79 O ATOM 1761 ND2 ASN B 91 44.501 23.055 34.942 1.00 25.81 N ATOM 1762 HD22 ASN B 91 45.471 23.392 34.779 1.00 0.00 H ATOM 1763 HD21 ASN B 91 43.931 23.463 35.710 1.00 0.00 H ATOM 1764 H ASN B 91 43.274 22.653 31.357 1.00 0.00 H ATOM 1765 N LYS B 92 46.050 22.081 29.841 1.00 19.46 N ATOM 1766 CA LYS B 92 47.033 21.671 28.845 1.00 18.63 C ATOM 1767 C LYS B 92 47.807 22.889 28.339 1.00 19.31 C ATOM 1768 O LYS B 92 48.769 22.762 27.580 1.00 19.76 O ATOM 1769 CB LYS B 92 46.360 20.926 27.687 1.00 21.41 C ATOM 1770 CG LYS B 92 47.296 19.955 26.982 1.00 31.79 C ATOM 1771 CD LYS B 92 46.560 19.032 26.024 1.00 36.80 C ATOM 1772 CE LYS B 92 47.366 17.760 25.768 1.00 44.15 C ATOM 1773 NZ LYS B 92 48.448 17.561 26.780 1.00 41.22 N ATOM 1774 HZ1 LYS B 92 49.102 18.369 26.750 1.00 0.00 H ATOM 1775 HZ2 LYS B 92 48.026 17.490 27.728 1.00 0.00 H ATOM 1776 HZ3 LYS B 92 48.966 16.686 26.564 1.00 0.00 H ATOM 1777 H LYS B 92 45.081 22.314 29.545 1.00 0.00 H ATOM 1778 N GLY B 93 47.388 24.074 28.770 1.00 16.79 N ATOM 1779 CA GLY B 93 48.118 25.285 28.444 1.00 18.21 C ATOM 1780 C GLY B 93 47.266 26.361 27.802 1.00 17.82 C ATOM 1781 O GLY B 93 46.091 26.146 27.498 1.00 16.34 O ATOM 1782 H GLY B 93 46.526 24.134 29.348 1.00 0.00 H ATOM 1783 N TYR B 94 47.870 27.528 27.601 1.00 13.92 N ATOM 1784 CA TYR B 94 47.179 28.669 27.009 1.00 12.76 C ATOM 1785 C TYR B 94 48.180 29.762 26.649 1.00 12.97 C ATOM 1786 O TYR B 94 49.360 29.663 26.975 1.00 12.99 O ATOM 1787 CB TYR B 94 46.116 29.221 27.970 1.00 12.92 C ATOM 1788 CG TYR B 94 46.598 29.465 29.387 1.00 15.44 C ATOM 1789 CD1 TYR B 94 46.393 28.514 30.382 1.00 16.03 C ATOM 1790 CD2 TYR B 94 47.230 30.654 29.737 1.00 12.89 C ATOM 1791 CE1 TYR B 94 46.821 28.733 31.687 1.00 15.00 C ATOM 1792 CE2 TYR B 94 47.652 30.885 31.047 1.00 15.98 C ATOM 1793 CZ TYR B 94 47.443 29.919 32.014 1.00 17.89 C ATOM 1794 OH TYR B 94 47.861 30.138 33.316 1.00 15.25 O ATOM 1795 HH TYR B 94 47.634 29.350 33.871 1.00 0.00 H ATOM 1796 H TYR B 94 48.868 27.631 27.875 1.00 0.00 H ATOM 1797 N ARG B 95 47.690 30.810 25.992 1.00 13.33 N ATOM 1798 CA ARG B 95 48.505 31.966 25.646 1.00 12.35 C ATOM 1799 C ARG B 95 47.852 33.242 26.169 1.00 13.56 C ATOM 1800 O ARG B 95 46.631 33.416 26.050 1.00 10.65 O ATOM 1801 CB ARG B 95 48.716 32.051 24.127 1.00 14.56 C ATOM 1802 CG ARG B 95 49.495 33.280 23.667 1.00 12.31 C ATOM 1803 CD ARG B 95 49.964 33.140 22.223 1.00 10.45 C ATOM 1804 NE ARG B 95 50.955 32.076 22.105 1.00 12.97 N ATOM 1805 CZ ARG B 95 51.284 31.474 20.968 1.00 17.13 C ATOM 1806 NH1 ARG B 95 50.688 31.822 19.833 1.00 12.46 N ATOM 1807 NH2 ARG B 95 52.207 30.517 20.969 1.00 14.40 N ATOM 1808 HE ARG B 95 51.438 31.767 22.973 1.00 0.00 H ATOM 1809 HH12 ARG B 95 50.947 31.349 18.944 1.00 0.00 H ATOM 1810 HH11 ARG B 95 49.962 32.567 19.834 1.00 0.00 H ATOM 1811 HH22 ARG B 95 52.467 30.044 20.080 1.00 0.00 H ATOM 1812 HH21 ARG B 95 52.669 30.242 21.859 1.00 0.00 H ATOM 1813 H ARG B 95 46.688 30.803 25.715 1.00 0.00 H ATOM 1814 N MET B 96 48.652 34.112 26.779 1.00 10.55 N ATOM 1815 CA MET B 96 48.178 35.419 27.222 1.00 13.36 C ATOM 1816 C MET B 96 48.703 36.472 26.270 1.00 10.72 C ATOM 1817 O MET B 96 49.859 36.417 25.838 1.00 10.21 O ATOM 1818 CB MET B 96 48.626 35.735 28.652 1.00 11.19 C ATOM 1819 CG MET B 96 47.962 34.879 29.695 1.00 12.39 C ATOM 1820 SD MET B 96 48.650 35.256 31.322 1.00 14.02 S ATOM 1821 CE MET B 96 47.352 34.607 32.370 1.00 15.81 C ATOM 1822 H MET B 96 49.645 33.853 26.945 1.00 0.00 H ATOM 1823 N VAL B 97 47.859 37.431 25.925 1.00 9.35 N ATOM 1824 CA VAL B 97 48.243 38.460 24.968 1.00 7.85 C ATOM 1825 C VAL B 97 47.742 39.831 25.404 1.00 9.74 C ATOM 1826 O VAL B 97 46.600 39.973 25.836 1.00 10.35 O ATOM 1827 CB VAL B 97 47.677 38.176 23.555 1.00 9.15 C ATOM 1828 CG1 VAL B 97 48.122 39.250 22.574 1.00 8.95 C ATOM 1829 CG2 VAL B 97 48.075 36.794 23.063 1.00 11.19 C ATOM 1830 H VAL B 97 46.907 37.450 26.343 1.00 0.00 H ATOM 1831 N VAL B 98 48.601 40.836 25.299 1.00 9.13 N ATOM 1832 CA VAL B 98 48.197 42.229 25.431 1.00 7.74 C ATOM 1833 C VAL B 98 48.638 42.973 24.165 1.00 8.96 C ATOM 1834 O VAL B 98 49.820 42.993 23.821 1.00 9.65 O ATOM 1835 CB VAL B 98 48.815 42.914 26.677 1.00 10.15 C ATOM 1836 CG1 VAL B 98 48.441 44.394 26.713 1.00 11.67 C ATOM 1837 CG2 VAL B 98 48.367 42.214 27.971 1.00 10.20 C ATOM 1838 H VAL B 98 49.602 40.621 25.115 1.00 0.00 H ATOM 1839 N ASN B 99 47.673 43.560 23.471 1.00 8.56 N ATOM 1840 CA ASN B 99 47.919 44.351 22.275 1.00 8.48 C ATOM 1841 C ASN B 99 48.036 45.837 22.566 1.00 9.65 C ATOM 1842 O ASN B 99 47.229 46.396 23.304 1.00 11.69 O ATOM 1843 CB ASN B 99 46.786 44.151 21.257 1.00 10.56 C ATOM 1844 CG ASN B 99 46.657 42.718 20.776 1.00 10.25 C ATOM 1845 OD1 ASN B 99 47.619 41.948 20.773 1.00 10.55 O ATOM 1846 ND2 ASN B 99 45.459 42.361 20.335 1.00 11.15 N ATOM 1847 HD22 ASN B 99 44.673 43.042 20.355 1.00 0.00 H ATOM 1848 HD21 ASN B 99 45.305 41.400 19.969 1.00 0.00 H ATOM 1849 H ASN B 99 46.692 43.450 23.798 1.00 0.00 H ATOM 1850 N GLU B 100 49.017 46.486 21.946 1.00 10.66 N ATOM 1851 CA GLU B 100 49.191 47.926 22.072 1.00 8.37 C ATOM 1852 C GLU B 100 49.206 48.603 20.699 1.00 11.49 C ATOM 1853 O GLU B 100 50.030 48.270 19.836 1.00 11.24 O ATOM 1854 CB GLU B 100 50.500 48.235 22.827 1.00 11.90 C ATOM 1855 CG GLU B 100 50.985 49.671 22.681 1.00 12.12 C ATOM 1856 CD GLU B 100 50.168 50.654 23.481 1.00 11.76 C ATOM 1857 OE1 GLU B 100 49.653 50.257 24.549 1.00 12.40 O ATOM 1858 OE2 GLU B 100 50.058 51.829 23.053 1.00 17.07 O ATOM 1859 H GLU B 100 49.681 45.948 21.353 1.00 0.00 H ATOM 1860 N GLY B 101 48.280 49.539 20.497 1.00 9.62 N ATOM 1861 CA GLY B 101 48.313 50.423 19.351 1.00 14.65 C ATOM 1862 C GLY B 101 48.057 49.736 18.028 1.00 11.88 C ATOM 1863 O GLY B 101 47.626 48.581 17.985 1.00 9.45 O ATOM 1864 H GLY B 101 47.507 49.638 21.186 1.00 0.00 H ATOM 1865 N SER B 102 48.341 50.461 16.946 1.00 13.06 N ATOM 1866 CA SER B 102 48.077 49.998 15.588 1.00 14.28 C ATOM 1867 C SER B 102 48.857 48.731 15.222 1.00 11.45 C ATOM 1868 O SER B 102 48.281 47.751 14.749 1.00 12.58 O ATOM 1869 CB SER B 102 48.401 51.114 14.594 1.00 20.02 C ATOM 1870 OG SER B 102 48.120 50.717 13.264 1.00 29.61 O ATOM 1871 HG SER B 102 48.666 49.923 13.036 1.00 0.00 H ATOM 1872 H SER B 102 48.770 51.399 17.076 1.00 0.00 H ATOM 1873 N ASP B 103 50.169 48.749 15.435 1.00 10.77 N ATOM 1874 CA ASP B 103 50.993 47.602 15.080 1.00 12.48 C ATOM 1875 C ASP B 103 50.683 46.377 15.930 1.00 12.40 C ATOM 1876 O ASP B 103 50.886 45.248 15.496 1.00 12.60 O ATOM 1877 CB ASP B 103 52.479 47.956 15.216 1.00 12.35 C ATOM 1878 CG ASP B 103 53.080 48.520 13.938 1.00 13.99 C ATOM 1879 OD1 ASP B 103 52.340 48.765 12.947 1.00 18.01 O ATOM 1880 OD2 ASP B 103 54.317 48.725 13.936 1.00 16.81 O ATOM 1881 H ASP B 103 50.611 49.590 15.859 1.00 0.00 H ATOM 1882 N GLY B 104 50.203 46.601 17.152 1.00 9.65 N ATOM 1883 CA GLY B 104 49.874 45.506 18.049 1.00 12.49 C ATOM 1884 C GLY B 104 48.492 44.941 17.771 1.00 10.72 C ATOM 1885 O GLY B 104 48.107 43.903 18.318 1.00 11.88 O ATOM 1886 H GLY B 104 50.061 47.581 17.471 1.00 0.00 H ATOM 1887 N GLY B 105 47.738 45.638 16.925 1.00 10.64 N ATOM 1888 CA GLY B 105 46.385 45.231 16.577 1.00 10.07 C ATOM 1889 C GLY B 105 45.359 45.449 17.671 1.00 9.56 C ATOM 1890 O GLY B 105 44.369 44.728 17.732 1.00 11.75 O ATOM 1891 H GLY B 105 48.129 46.502 16.498 1.00 0.00 H ATOM 1892 N GLN B 106 45.597 46.432 18.539 1.00 9.74 N ATOM 1893 CA GLN B 106 44.681 46.721 19.635 1.00 9.54 C ATOM 1894 C GLN B 106 43.310 47.161 19.107 1.00 11.94 C ATOM 1895 O GLN B 106 43.202 48.159 18.397 1.00 13.40 O ATOM 1896 CB GLN B 106 45.266 47.795 20.557 1.00 8.58 C ATOM 1897 CG GLN B 106 44.396 48.057 21.792 1.00 8.22 C ATOM 1898 CD GLN B 106 45.005 49.062 22.748 1.00 12.36 C ATOM 1899 OE1 GLN B 106 46.118 49.547 22.538 1.00 12.04 O ATOM 1900 NE2 GLN B 106 44.277 49.374 23.819 1.00 11.80 N ATOM 1901 HE22 GLN B 106 43.342 48.940 23.956 1.00 0.00 H ATOM 1902 HE21 GLN B 106 44.644 50.051 24.518 1.00 0.00 H ATOM 1903 H GLN B 106 46.457 47.007 18.432 1.00 0.00 H ATOM 1904 N SER B 107 42.270 46.419 19.476 1.00 9.91 N ATOM 1905 CA SER B 107 40.938 46.632 18.894 1.00 9.35 C ATOM 1906 C SER B 107 40.055 47.592 19.684 1.00 11.00 C ATOM 1907 O SER B 107 39.143 48.190 19.120 1.00 13.13 O ATOM 1908 CB SER B 107 40.214 45.297 18.758 1.00 13.73 C ATOM 1909 OG SER B 107 39.968 44.724 20.030 1.00 17.12 O ATOM 1910 HG SER B 107 40.829 44.574 20.495 1.00 0.00 H ATOM 1911 H SER B 107 42.402 45.674 20.190 1.00 0.00 H ATOM 1912 N VAL B 108 40.300 47.683 20.990 1.00 10.58 N ATOM 1913 CA VAL B 108 39.530 48.541 21.885 1.00 8.16 C ATOM 1914 C VAL B 108 40.508 49.277 22.771 1.00 8.70 C ATOM 1915 O VAL B 108 41.412 48.648 23.336 1.00 9.73 O ATOM 1916 CB VAL B 108 38.532 47.742 22.771 1.00 9.56 C ATOM 1917 CG1 VAL B 108 37.810 48.670 23.740 1.00 9.96 C ATOM 1918 CG2 VAL B 108 37.531 46.998 21.912 1.00 10.65 C ATOM 1919 H VAL B 108 41.075 47.117 21.390 1.00 0.00 H ATOM 1920 N TYR B 109 40.342 50.595 22.905 1.00 9.96 N ATOM 1921 CA TYR B 109 41.278 51.387 23.702 1.00 11.65 C ATOM 1922 C TYR B 109 40.831 51.441 25.168 1.00 11.51 C ATOM 1923 O TYR B 109 40.517 52.481 25.753 1.00 10.67 O ATOM 1924 CB TYR B 109 41.484 52.768 23.066 1.00 9.78 C ATOM 1925 CG TYR B 109 42.537 52.660 21.979 1.00 12.56 C ATOM 1926 CD1 TYR B 109 43.853 53.007 22.236 1.00 15.83 C ATOM 1927 CD2 TYR B 109 42.239 52.108 20.747 1.00 15.77 C ATOM 1928 CE1 TYR B 109 44.838 52.868 21.269 1.00 17.42 C ATOM 1929 CE2 TYR B 109 43.213 51.972 19.764 1.00 17.11 C ATOM 1930 CZ TYR B 109 44.510 52.349 20.035 1.00 17.73 C ATOM 1931 OH TYR B 109 45.481 52.204 19.060 1.00 18.47 O ATOM 1932 HH TYR B 109 45.552 51.250 18.806 1.00 0.00 H ATOM 1933 H TYR B 109 39.539 51.063 22.438 1.00 0.00 H ATOM 1934 N HIS B 110 40.832 50.240 25.720 1.00 9.16 N ATOM 1935 CA HIS B 110 40.679 49.970 27.135 1.00 9.59 C ATOM 1936 C HIS B 110 41.577 48.763 27.322 1.00 11.14 C ATOM 1937 O HIS B 110 41.349 47.732 26.693 1.00 10.97 O ATOM 1938 CB HIS B 110 39.216 49.686 27.495 1.00 10.28 C ATOM 1939 CG HIS B 110 38.969 49.533 28.963 1.00 11.26 C ATOM 1940 ND1 HIS B 110 38.014 50.270 29.634 1.00 14.36 N ATOM 1941 CD2 HIS B 110 39.520 48.705 29.883 1.00 9.94 C ATOM 1942 CE1 HIS B 110 38.017 49.930 30.910 1.00 15.09 C ATOM 1943 NE2 HIS B 110 38.912 48.976 31.085 1.00 11.70 N ATOM 1944 H HIS B 110 40.952 49.423 25.088 1.00 0.00 H ATOM 1945 N VAL B 111 42.617 48.883 28.145 1.00 9.15 N ATOM 1946 CA VAL B 111 43.571 47.797 28.386 1.00 11.03 C ATOM 1947 C VAL B 111 42.881 46.466 28.597 1.00 8.51 C ATOM 1948 O VAL B 111 41.980 46.391 29.436 1.00 9.76 O ATOM 1949 CB VAL B 111 44.438 48.085 29.635 1.00 9.43 C ATOM 1950 CG1 VAL B 111 45.148 46.818 30.117 1.00 11.46 C ATOM 1951 CG2 VAL B 111 45.427 49.167 29.344 1.00 9.83 C ATOM 1952 H VAL B 111 42.758 49.787 28.639 1.00 0.00 H ATOM 1953 N HIS B 112 43.287 45.420 27.885 1.00 10.00 N ATOM 1954 CA HIS B 112 42.696 44.110 28.102 1.00 9.03 C ATOM 1955 C HIS B 112 43.696 42.998 27.901 1.00 10.62 C ATOM 1956 O HIS B 112 44.578 43.079 27.046 1.00 11.23 O ATOM 1957 CB HIS B 112 41.458 43.889 27.197 1.00 11.37 C ATOM 1958 CG HIS B 112 41.666 44.164 25.740 1.00 8.39 C ATOM 1959 ND1 HIS B 112 41.718 45.446 25.217 1.00 9.05 N ATOM 1960 CD2 HIS B 112 41.762 43.334 24.674 1.00 10.73 C ATOM 1961 CE1 HIS B 112 41.870 45.385 23.910 1.00 12.24 C ATOM 1962 NE2 HIS B 112 41.907 44.107 23.549 1.00 10.63 N ATOM 1963 H HIS B 112 44.032 45.539 27.169 1.00 0.00 H ATOM 1964 N LEU B 113 43.564 41.970 28.729 1.00 9.31 N ATOM 1965 CA LEU B 113 44.400 40.788 28.647 1.00 12.24 C ATOM 1966 C LEU B 113 43.649 39.639 27.993 1.00 8.55 C ATOM 1967 O LEU B 113 42.646 39.178 28.522 1.00 9.75 O ATOM 1968 CB LEU B 113 44.870 40.373 30.039 1.00 9.64 C ATOM 1969 CG LEU B 113 45.674 39.067 30.126 1.00 12.37 C ATOM 1970 CD1 LEU B 113 47.072 39.234 29.531 1.00 16.96 C ATOM 1971 CD2 LEU B 113 45.744 38.551 31.556 1.00 14.97 C ATOM 1972 H LEU B 113 42.832 42.014 29.466 1.00 0.00 H ATOM 1973 N HIS B 114 44.141 39.169 26.849 1.00 8.70 N ATOM 1974 CA HIS B 114 43.545 38.005 26.206 1.00 11.79 C ATOM 1975 C HIS B 114 44.091 36.736 26.825 1.00 9.27 C ATOM 1976 O HIS B 114 45.286 36.640 27.125 1.00 12.97 O ATOM 1977 CB HIS B 114 43.839 37.946 24.701 1.00 9.93 C ATOM 1978 CG HIS B 114 43.380 39.133 23.915 1.00 11.18 C ATOM 1979 ND1 HIS B 114 42.256 39.103 23.117 1.00 11.75 N ATOM 1980 CD2 HIS B 114 43.925 40.363 23.750 1.00 11.45 C ATOM 1981 CE1 HIS B 114 42.113 40.273 22.517 1.00 11.30 C ATOM 1982 NE2 HIS B 114 43.112 41.055 22.888 1.00 13.82 N ATOM 1983 H HIS B 114 44.959 39.637 26.410 1.00 0.00 H ATOM 1984 N VAL B 115 43.225 35.742 26.970 1.00 10.76 N ATOM 1985 CA VAL B 115 43.659 34.396 27.312 1.00 10.46 C ATOM 1986 C VAL B 115 43.003 33.416 26.338 1.00 8.97 C ATOM 1987 O VAL B 115 41.773 33.361 26.217 1.00 9.25 O ATOM 1988 CB VAL B 115 43.321 34.033 28.763 1.00 9.74 C ATOM 1989 CG1 VAL B 115 43.880 32.660 29.109 1.00 13.00 C ATOM 1990 CG2 VAL B 115 43.897 35.082 29.715 1.00 10.66 C ATOM 1991 H VAL B 115 42.211 35.929 26.836 1.00 0.00 H ATOM 1992 N LEU B 116 43.839 32.674 25.624 1.00 9.29 N ATOM 1993 CA LEU B 116 43.384 31.753 24.588 1.00 10.28 C ATOM 1994 C LEU B 116 43.879 30.341 24.838 1.00 11.17 C ATOM 1995 O LEU B 116 45.052 30.137 25.148 1.00 12.09 O ATOM 1996 CB LEU B 116 43.865 32.215 23.209 1.00 11.15 C ATOM 1997 CG LEU B 116 43.537 33.641 22.755 1.00 13.09 C ATOM 1998 CD1 LEU B 116 44.651 34.621 23.134 1.00 14.19 C ATOM 1999 CD2 LEU B 116 43.265 33.674 21.247 1.00 13.46 C ATOM 2000 H LEU B 116 44.859 32.752 25.810 1.00 0.00 H ATOM 2001 N GLY B 117 43.006 29.361 24.650 1.00 12.12 N ATOM 2002 CA GLY B 117 43.404 27.974 24.820 1.00 14.88 C ATOM 2003 C GLY B 117 42.380 27.018 24.253 1.00 14.60 C ATOM 2004 O GLY B 117 41.415 27.442 23.618 1.00 14.73 O ATOM 2005 H GLY B 117 42.028 29.587 24.378 1.00 0.00 H ATOM 2006 N GLY B 118 42.583 25.724 24.479 1.00 14.58 N ATOM 2007 CA GLY B 118 41.665 24.720 23.971 1.00 15.20 C ATOM 2008 C GLY B 118 42.071 24.248 22.588 1.00 16.84 C ATOM 2009 O GLY B 118 41.374 23.445 21.956 1.00 19.91 O ATOM 2010 H GLY B 118 43.414 25.425 25.029 1.00 0.00 H ATOM 2011 N ARG B 119 43.190 24.779 22.110 1.00 15.11 N ATOM 2012 CA ARG B 119 43.826 24.320 20.880 1.00 16.67 C ATOM 2013 C ARG B 119 45.311 24.624 20.958 1.00 18.17 C ATOM 2014 O ARG B 119 45.753 25.420 21.783 1.00 17.14 O ATOM 2015 CB ARG B 119 43.216 24.984 19.642 1.00 18.69 C ATOM 2016 CG ARG B 119 43.524 26.470 19.505 1.00 15.13 C ATOM 2017 CD ARG B 119 43.211 26.961 18.100 1.00 15.78 C ATOM 2018 NE ARG B 119 43.243 28.415 17.960 1.00 15.49 N ATOM 2019 CZ ARG B 119 44.324 29.120 17.630 1.00 15.24 C ATOM 2020 NH1 ARG B 119 45.492 28.516 17.438 1.00 13.85 N ATOM 2021 NH2 ARG B 119 44.242 30.438 17.502 1.00 14.37 N ATOM 2022 HE ARG B 119 42.359 28.936 18.130 1.00 0.00 H ATOM 2023 HH12 ARG B 119 46.330 29.075 17.181 1.00 0.00 H ATOM 2024 HH11 ARG B 119 45.568 27.484 17.545 1.00 0.00 H ATOM 2025 HH22 ARG B 119 45.086 30.989 17.244 1.00 0.00 H ATOM 2026 HH21 ARG B 119 43.334 30.920 17.659 1.00 0.00 H ATOM 2027 H ARG B 119 43.634 25.558 22.637 1.00 0.00 H ATOM 2028 N GLN B 120 46.085 23.987 20.093 1.00 18.15 N ATOM 2029 CA GLN B 120 47.482 24.342 19.952 1.00 17.99 C ATOM 2030 C GLN B 120 47.598 25.786 19.461 1.00 17.77 C ATOM 2031 O GLN B 120 46.995 26.153 18.454 1.00 17.22 O ATOM 2032 CB GLN B 120 48.183 23.393 18.978 1.00 20.05 C ATOM 2033 CG GLN B 120 49.671 23.641 18.855 1.00 19.67 C ATOM 2034 CD GLN B 120 50.383 23.406 20.168 1.00 22.17 C ATOM 2035 OE1 GLN B 120 50.366 22.296 20.699 1.00 26.08 O ATOM 2036 NE2 GLN B 120 50.992 24.454 20.715 1.00 23.32 N ATOM 2037 HE22 GLN B 120 50.980 25.374 20.230 1.00 0.00 H ATOM 2038 HE21 GLN B 120 51.480 24.354 21.628 1.00 0.00 H ATOM 2039 H GLN B 120 45.686 23.224 19.509 1.00 0.00 H ATOM 2040 N MET B 121 48.343 26.610 20.194 1.00 16.09 N ATOM 2041 CA MET B 121 48.672 27.953 19.728 1.00 18.64 C ATOM 2042 C MET B 121 49.982 27.876 18.954 1.00 19.53 C ATOM 2043 O MET B 121 50.875 27.094 19.309 1.00 18.69 O ATOM 2044 CB MET B 121 48.789 28.942 20.893 1.00 15.66 C ATOM 2045 CG MET B 121 47.561 28.990 21.809 1.00 15.07 C ATOM 2046 SD MET B 121 46.032 29.436 20.955 1.00 15.68 S ATOM 2047 CE MET B 121 46.379 31.116 20.444 1.00 16.70 C ATOM 2048 H MET B 121 48.698 26.290 21.118 1.00 0.00 H ATOM 2049 N HIS B 122 50.103 28.695 17.914 1.00 14.30 N ATOM 2050 CA HIS B 122 51.222 28.571 16.984 1.00 15.21 C ATOM 2051 C HIS B 122 52.208 29.724 17.065 1.00 16.03 C ATOM 2052 O HIS B 122 51.981 30.705 17.767 1.00 16.19 O ATOM 2053 CB HIS B 122 50.700 28.438 15.554 1.00 17.66 C ATOM 2054 CG HIS B 122 49.677 27.359 15.392 1.00 19.23 C ATOM 2055 ND1 HIS B 122 49.989 26.020 15.481 1.00 25.88 N ATOM 2056 CD2 HIS B 122 48.345 27.421 15.158 1.00 24.47 C ATOM 2057 CE1 HIS B 122 48.892 25.303 15.311 1.00 21.41 C ATOM 2058 NE2 HIS B 122 47.882 26.129 15.110 1.00 24.80 N ATOM 2059 H HIS B 122 49.389 29.436 17.760 1.00 0.00 H ATOM 2060 N TRP B 123 53.298 29.601 16.315 1.00 12.70 N ATOM 2061 CA TRP B 123 54.392 30.557 16.373 1.00 14.26 C ATOM 2062 C TRP B 123 54.757 30.912 14.939 1.00 14.33 C ATOM 2063 O TRP B 123 54.931 30.011 14.125 1.00 17.88 O ATOM 2064 CB TRP B 123 55.586 29.953 17.129 1.00 15.42 C ATOM 2065 CG TRP B 123 56.502 30.951 17.770 1.00 13.43 C ATOM 2066 CD1 TRP B 123 57.811 31.178 17.462 1.00 16.66 C ATOM 2067 CD2 TRP B 123 56.178 31.852 18.831 1.00 13.66 C ATOM 2068 NE1 TRP B 123 58.326 32.161 18.271 1.00 17.25 N ATOM 2069 CE2 TRP B 123 57.341 32.594 19.117 1.00 15.94 C ATOM 2070 CE3 TRP B 123 55.021 32.098 19.574 1.00 13.87 C ATOM 2071 CZ2 TRP B 123 57.379 33.571 20.113 1.00 12.03 C ATOM 2072 CZ3 TRP B 123 55.063 33.069 20.561 1.00 15.82 C ATOM 2073 CH2 TRP B 123 56.230 33.792 20.818 1.00 12.05 C ATOM 2074 HE1 TRP B 123 59.303 32.517 18.245 1.00 0.00 H ATOM 2075 H TRP B 123 53.371 28.793 15.664 1.00 0.00 H ATOM 2076 N PRO B 124 54.872 32.214 14.616 1.00 12.76 N ATOM 2077 CA PRO B 124 54.798 33.402 15.480 1.00 14.03 C ATOM 2078 C PRO B 124 53.388 33.696 15.991 1.00 12.51 C ATOM 2079 O PRO B 124 52.419 33.185 15.431 1.00 13.09 O ATOM 2080 CB PRO B 124 55.272 34.525 14.554 1.00 14.17 C ATOM 2081 CG PRO B 124 54.855 34.066 13.202 1.00 14.81 C ATOM 2082 CD PRO B 124 55.129 32.590 13.214 1.00 16.69 C ATOM 2083 N PRO B 125 53.277 34.516 17.048 1.00 11.60 N ATOM 2084 CA PRO B 125 51.976 34.838 17.634 1.00 14.58 C ATOM 2085 C PRO B 125 51.323 35.987 16.881 1.00 14.02 C ATOM 2086 O PRO B 125 51.082 37.058 17.446 1.00 14.68 O ATOM 2087 CB PRO B 125 52.337 35.235 19.067 1.00 12.31 C ATOM 2088 CG PRO B 125 53.689 35.876 18.923 1.00 12.73 C ATOM 2089 CD PRO B 125 54.388 35.118 17.813 1.00 12.98 C ATOM 2090 N GLY B 126 51.054 35.760 15.601 1.00 13.20 N ATOM 2091 CA GLY B 126 50.595 36.820 14.727 1.00 14.23 C ATOM 2092 C GLY B 126 51.770 37.522 14.087 1.00 15.31 C ATOM 2093 O GLY B 126 52.903 37.029 14.141 1.00 18.12 O ATOM 2094 OXT GLY B 126 51.633 38.601 13.512 1.00 15.62 O ATOM 2095 H GLY B 126 51.175 34.801 15.218 1.00 0.00 H TER 2096 GLY B 126 HETATM 2097 O HOH 1 47.263 54.413 34.899 1.00 31.90 O HETATM 2098 O HOH 2 47.010 53.978 18.471 1.00 28.14 O HETATM 2099 O HOH 3 49.929 49.467 12.265 1.00 19.55 O HETATM 2100 O HOH 4 56.565 48.026 38.197 1.00 22.33 O HETATM 2101 O HOH 5 46.467 51.326 39.577 1.00 22.20 O HETATM 2102 O HOH 6 37.082 31.795 37.967 1.00 28.44 O HETATM 2103 O HOH 7 55.228 53.503 34.253 1.00 37.82 O HETATM 2104 O HOH 8 44.884 50.336 17.472 1.00 24.20 O HETATM 2105 O HOH 9 51.031 52.466 20.775 1.00 24.18 O HETATM 2106 O HOH 10 45.108 29.032 39.325 1.00 26.26 O HETATM 2107 O HOH 11 42.283 19.586 32.900 1.00 30.28 O HETATM 2108 O HOH 12 34.975 51.426 35.624 1.00 29.16 O HETATM 2109 O HOH 13 40.690 36.794 13.334 1.00 21.77 O HETATM 2110 O HOH 14 34.774 48.272 42.872 1.00 18.25 O HETATM 2111 O HOH 15 25.293 53.015 33.624 1.00 22.77 O HETATM 2112 O HOH 16 50.053 20.054 19.346 1.00 40.66 O HETATM 2113 O HOH 17 43.505 36.587 43.020 1.00 28.93 O HETATM 2114 O HOH 18 29.849 39.275 38.155 1.00 18.24 O HETATM 2115 O HOH 19 54.999 54.130 27.221 1.00 21.66 O HETATM 2116 O HOH 20 51.363 31.793 13.436 1.00 23.53 O HETATM 2117 O HOH 21 48.141 49.094 41.122 1.00 17.19 O HETATM 2118 O HOH 22 37.372 48.286 46.633 1.00 13.47 O HETATM 2119 O HOH 23 30.898 37.267 26.067 1.00 17.55 O HETATM 2120 O HOH 24 40.612 25.647 38.959 1.00 22.66 O HETATM 2121 O HOH 25 23.762 43.912 30.472 1.00 23.48 O HETATM 2122 O HOH 26 30.176 46.607 37.493 1.00 26.15 O HETATM 2123 O HOH 27 36.242 52.033 28.478 1.00 14.73 O HETATM 2124 O HOH 28 37.656 57.337 30.476 1.00 37.05 O HETATM 2125 O HOH 29 32.276 30.574 31.409 1.00 19.99 O HETATM 2126 O HOH 30 50.428 57.795 31.777 1.00 35.58 O HETATM 2127 O HOH 31 47.359 48.318 25.193 1.00 14.51 O HETATM 2128 O HOH 32 34.616 32.600 38.438 1.00 23.88 O HETATM 2129 O HOH 33 39.863 55.060 25.272 1.00 22.49 O HETATM 2130 O HOH 34 40.835 48.637 38.049 1.00 14.76 O HETATM 2131 O HOH 35 27.979 43.292 30.964 1.00 12.92 O HETATM 2132 O HOH 36 32.268 31.634 36.193 1.00 30.71 O HETATM 2133 O HOH 37 56.540 49.693 12.702 1.00 24.00 O HETATM 2134 O HOH 38 39.739 39.687 20.432 1.00 23.97 O HETATM 2135 O HOH 39 41.432 28.963 39.672 1.00 31.97 O HETATM 2136 O HOH 40 39.888 38.648 43.296 1.00 11.73 O HETATM 2137 O HOH 41 30.056 35.393 20.254 1.00 25.63 O HETATM 2138 O HOH 42 45.128 57.685 27.183 1.00 32.44 O HETATM 2139 O HOH 43 34.847 33.288 16.433 1.00 24.93 O HETATM 2140 O HOH 44 26.362 41.734 37.024 1.00 18.61 O HETATM 2141 O HOH 45 31.433 36.430 16.769 1.00 21.72 O HETATM 2142 O HOH 46 40.510 22.325 19.607 1.00 35.04 O HETATM 2143 O HOH 47 53.373 28.212 19.637 1.00 21.11 O HETATM 2144 O HOH 48 46.373 28.550 35.119 1.00 16.38 O HETATM 2145 O HOH 49 38.464 25.023 25.222 1.00 20.83 O HETATM 2146 O HOH 50 45.755 24.812 16.383 1.00 27.23 O HETATM 2147 O HOH 51 34.200 33.340 23.605 1.00 21.37 O HETATM 2148 O HOH 52 41.617 50.241 17.506 1.00 16.67 O HETATM 2149 O HOH 53 43.848 43.223 15.467 1.00 13.23 O HETATM 2150 O HOH 54 39.211 38.316 18.829 1.00 19.01 O HETATM 2151 O HOH 55 29.532 41.160 24.649 1.00 15.18 O HETATM 2152 O HOH 56 40.251 34.262 12.743 1.00 34.03 O HETATM 2153 O HOH 57 53.604 49.250 10.522 1.00 25.10 O HETATM 2154 O HOH 58 24.674 54.862 30.079 1.00 40.95 O HETATM 2155 O HOH 59 49.192 53.106 17.109 1.00 27.58 O HETATM 2156 O HOH 60 35.618 31.373 25.179 1.00 16.42 O HETATM 2157 O HOH 61 32.312 37.956 41.901 1.00 15.41 O HETATM 2158 O HOH 62 42.917 43.853 20.948 1.00 12.80 O HETATM 2159 O HOH 63 34.258 28.937 25.015 1.00 31.63 O HETATM 2160 O HOH 64 51.090 56.067 24.369 1.00 23.89 O HETATM 2161 O HOH 65 44.913 43.675 24.314 1.00 11.31 O HETATM 2162 O HOH 66 21.705 46.422 26.197 1.00 23.51 O HETATM 2163 O HOH 67 21.434 49.251 29.059 1.00 33.19 O HETATM 2164 O HOH 68 26.609 42.345 23.837 1.00 15.49 O HETATM 2165 O HOH 69 38.368 23.117 29.057 1.00 26.81 O HETATM 2166 O HOH 70 35.306 38.792 43.795 1.00 12.09 O HETATM 2167 O HOH 71 44.741 48.688 16.070 1.00 24.22 O HETATM 2168 O HOH 72 44.175 55.998 29.950 1.00 20.79 O HETATM 2169 O HOH 73 33.244 47.629 41.282 1.00 29.32 O HETATM 2170 O HOH 74 39.972 30.321 41.059 1.00 33.37 O HETATM 2171 O HOH 75 27.363 54.397 27.856 1.00 33.01 O HETATM 2172 O HOH 76 41.245 19.833 30.857 1.00 35.57 O HETATM 2173 O HOH 77 46.141 50.820 11.147 1.00 29.39 O HETATM 2174 O HOH 78 25.440 39.708 30.616 1.00 26.52 O HETATM 2175 O HOH 79 38.437 51.990 21.214 1.00 12.08 O HETATM 2176 O HOH 80 45.121 22.028 18.154 1.00 27.67 O HETATM 2177 O HOH 81 45.209 45.841 42.516 1.00 18.57 O HETATM 2178 O HOH 82 54.669 56.257 36.388 1.00 33.78 O HETATM 2179 O HOH 83 32.207 48.091 39.203 1.00 26.09 O HETATM 2180 O HOH 84 33.755 35.881 15.291 1.00 24.70 O HETATM 2181 O HOH 85 33.273 51.544 33.199 1.00 27.71 O HETATM 2182 O HOH 86 51.168 49.055 42.387 1.00 22.84 O HETATM 2183 O HOH 87 43.650 22.751 28.211 1.00 29.58 O HETATM 2184 O HOH 88 27.220 36.694 32.440 1.00 18.03 O HETATM 2185 O HOH 89 47.855 55.312 20.521 1.00 30.26 O HETATM 2186 O HOH 90 34.271 53.923 21.648 1.00 25.71 O HETATM 2187 O HOH 91 34.067 51.103 21.641 1.00 11.00 O HETATM 2188 O HOH 92 53.743 26.906 15.089 1.00 26.08 O HETATM 2189 O HOH 93 32.099 40.100 25.143 1.00 12.53 O HETATM 2190 O HOH 94 29.634 34.820 36.335 1.00 34.02 O HETATM 2191 O HOH 95 44.921 46.366 25.537 1.00 14.61 O HETATM 2192 O HOH 96 52.610 36.732 11.153 1.00 30.80 O HETATM 2193 O HOH 97 32.908 36.285 40.126 1.00 18.69 O HETATM 2194 O HOH 98 38.727 55.053 35.549 1.00 24.29 O HETATM 2195 O HOH 99 35.294 27.851 27.799 1.00 27.44 O HETATM 2196 O HOH 100 43.942 55.087 40.337 1.00 32.62 O HETATM 2197 O HOH 101 35.064 29.601 20.692 1.00 31.68 O HETATM 2198 O HOH 102 40.294 28.155 16.999 1.00 25.19 O HETATM 2199 O HOH 103 32.274 53.913 34.049 1.00 27.05 O HETATM 2200 O HOH 104 29.690 50.568 22.016 1.00 20.92 O HETATM 2201 O HOH 105 47.814 25.187 32.775 1.00 32.22 O HETATM 2202 O HOH 106 37.009 35.320 13.563 1.00 31.33 O HETATM 2203 O HOH 107 38.546 22.273 23.153 1.00 37.16 O HETATM 2204 O HOH 108 39.869 20.496 35.119 1.00 37.70 O HETATM 2205 O HOH 109 38.791 32.769 40.242 1.00 32.84 O HETATM 2206 O HOH 110 52.560 56.481 39.286 1.00 29.99 O HETATM 2207 O HOH 111 45.546 26.143 33.974 1.00 25.20 O HETATM 2208 O HOH 112 46.499 44.484 45.889 1.00 19.84 O HETATM 2209 O HOH 113 25.454 36.899 28.220 1.00 32.95 O HETATM 2210 O HOH 114 32.333 56.780 32.618 1.00 31.38 O HETATM 2211 O HOH 115 52.518 29.213 11.827 1.00 39.32 O HETATM 2212 O HOH 116 47.350 53.740 40.788 1.00 27.02 O HETATM 2213 O HOH 117 37.378 29.592 17.132 1.00 32.57 O HETATM 2214 O HOH 118 57.132 50.573 38.219 1.00 35.41 O HETATM 2215 O HOH 119 41.739 41.913 18.705 1.00 21.50 O HETATM 2216 O HOH 120 26.236 38.122 25.810 1.00 23.46 O HETATM 2217 O HOH 121 38.558 39.138 14.592 1.00 31.62 O HETATM 2218 O HOH 122 61.482 30.466 17.761 1.00 28.12 O HETATM 2219 O HOH 123 29.831 56.738 32.093 1.00 32.48 O HETATM 2220 O HOH 124 44.561 50.285 14.581 1.00 25.85 O HETATM 2221 O HOH 125 28.296 38.744 24.149 1.00 27.87 O HETATM 2222 O HOH 126 52.744 57.379 26.067 1.00 29.54 O HETATM 2223 O HOH 127 31.026 36.402 37.954 1.00 22.68 O HETATM 2224 O HOH 128 50.364 56.592 21.700 1.00 40.41 O HETATM 2225 O HOH 129 52.211 57.904 33.020 1.00 37.26 O HETATM 2226 O HOH 130 27.853 56.763 31.080 1.00 38.25 O HETATM 2227 O HOH 131 32.662 58.431 29.654 1.00 35.83 O HETATM 2228 O HOH 132 25.864 56.658 30.242 1.00 36.83 O HETATM 2229 O HOH 133 54.350 56.707 33.541 1.00 38.78 O HETATM 2230 O HOH 134 58.471 28.388 15.016 1.00 32.44 O HETATM 2231 O HOH 135 29.936 39.066 16.847 1.00 18.93 O HETATM 2232 O HOH 136 32.987 55.854 34.931 1.00 35.16 O HETATM 2233 O HOH 137 41.053 36.394 42.087 1.00 21.51 O HETATM 2234 O HOH 138 25.998 41.641 31.881 1.00 21.98 O HETATM 2235 O HOH 139 43.813 28.292 40.939 1.00 35.07 O HETATM 2236 O HOH 140 43.153 19.791 21.448 1.00 41.16 O HETATM 2237 O HOH 141 55.750 54.124 41.666 1.00 37.41 O HETATM 2238 O HOH 142 39.370 19.612 32.666 1.00 32.93 O HETATM 2239 O HOH 143 49.090 44.044 47.146 1.00 22.47 O HETATM 2240 O HOH 144 36.720 32.532 41.753 1.00 29.78 O HETATM 2241 O HOH 145 45.820 48.726 42.704 1.00 22.71 O HETATM 2242 O HOH 146 40.001 35.057 39.836 1.00 22.43 O HETATM 2243 O HOH 147 49.018 58.022 24.073 1.00 34.51 O HETATM 2244 O HOH 148 33.119 30.491 33.929 1.00 32.62 O HETATM 2245 O HOH 149 37.494 54.277 21.525 1.00 30.32 O HETATM 2246 O HOH 150 30.773 32.801 20.008 1.00 39.71 O HETATM 2247 O HOH 151 45.843 49.414 45.316 1.00 26.77 O HETATM 2248 O HOH 152 35.666 23.928 25.508 1.00 31.85 O HETATM 2249 O HOH 153 37.997 20.880 20.882 1.00 39.86 O HETATM 2250 O HOH 154 37.087 21.539 34.267 1.00 21.97 O HETATM 2251 O HOH 155 55.348 56.392 25.646 1.00 28.69 O HETATM 2252 O HOH 156 30.420 34.190 16.282 1.00 32.82 O HETATM 2253 O HOH 157 39.563 23.024 26.746 1.00 29.74 O HETATM 2254 O HOH 158 40.561 56.096 36.916 1.00 32.83 O HETATM 2255 O HOH 159 39.665 19.087 28.560 1.00 31.12 O HETATM 2256 O HOH 160 36.221 29.402 15.060 1.00 39.28 O HETATM 2257 O HOH 161 27.615 36.447 19.542 1.00 28.67 O HETATM 2258 O HOH 162 33.413 62.323 23.377 1.00 31.35 O HETATM 2259 O HOH 163 29.671 34.591 39.021 1.00 37.65 O HETATM 2260 O HOH 164 35.302 24.169 20.523 1.00 31.67 O HETATM 2261 O HOH 165 35.339 30.845 13.703 1.00 39.21 O HETATM 2262 O HOH 166 32.986 24.787 32.607 1.00 33.84 O HETATM 2263 O HOH 167 43.775 29.085 43.273 1.00 42.20 O HETATM 2264 O HOH 168 44.434 50.341 41.159 1.00 22.84 O HETATM 2265 O HOH 169 42.201 54.893 16.214 1.00 41.57 O HETATM 2266 O HOH 170 34.172 33.817 41.601 1.00 29.55 O HETATM 2267 O HOH 171 23.694 38.238 24.805 1.00 29.50 O HETATM 2268 O HOH 172 32.484 25.995 30.883 1.00 35.85 O HETATM 2269 O HOH 173 35.921 20.136 21.264 1.00 32.48 O HETATM 2270 O HOH 174 35.470 20.429 24.732 1.00 41.45 O HETATM 2271 O HOH 175 32.128 21.752 28.064 1.00 50.98 O HETATM 2272 O HOH 176 33.571 21.004 25.853 1.00 44.55 O HETATM 2273 O HOH 177 76.923 42.866 21.220 1.00 35.97 O HETATM 2274 O HOH 178 63.892 23.838 34.945 1.00 36.02 O HETATM 2275 O HOH 179 47.872 32.557 42.737 1.00 28.59 O HETATM 2276 O HOH 180 49.573 42.995 44.343 1.00 29.98 O HETATM 2277 O HOH 181 54.816 27.117 46.610 1.00 37.96 O HETATM 2278 O HOH 182 65.906 29.376 35.177 1.00 22.66 O HETATM 2279 O HOH 183 49.807 21.037 22.971 1.00 26.57 O HETATM 2280 O HOH 184 65.946 39.828 18.813 1.00 23.90 O HETATM 2281 O HOH 185 64.785 42.735 45.513 1.00 22.25 O HETATM 2282 O HOH 186 44.465 24.480 26.185 1.00 21.04 O HETATM 2283 O HOH 187 46.182 36.182 10.684 1.00 22.84 O HETATM 2284 O HOH 188 55.819 48.688 16.179 1.00 14.74 O HETATM 2285 O HOH 189 68.890 49.744 27.199 1.00 33.90 O HETATM 2286 O HOH 190 65.449 30.093 19.871 1.00 22.11 O HETATM 2287 O HOH 191 55.577 22.493 26.744 1.00 30.94 O HETATM 2288 O HOH 192 58.016 46.606 9.384 1.00 20.04 O HETATM 2289 O HOH 193 45.372 42.515 44.550 1.00 22.62 O HETATM 2290 O HOH 194 63.731 48.921 18.460 1.00 20.15 O HETATM 2291 O HOH 195 62.245 47.255 14.924 1.00 15.03 O HETATM 2292 O HOH 196 56.062 31.538 43.251 1.00 29.61 O HETATM 2293 O HOH 197 43.590 21.444 23.812 1.00 32.13 O HETATM 2294 O HOH 198 60.907 55.938 26.954 1.00 31.99 O HETATM 2295 O HOH 199 72.235 45.450 24.861 1.00 22.57 O HETATM 2296 O HOH 200 68.135 28.463 23.866 1.00 27.23 O HETATM 2297 O HOH 201 71.065 39.450 35.550 1.00 17.83 O HETATM 2298 O HOH 202 60.971 22.448 26.854 1.00 37.19 O HETATM 2299 O HOH 203 77.749 31.728 37.894 1.00 35.82 O HETATM 2300 O HOH 204 64.755 26.442 40.439 1.00 39.88 O HETATM 2301 O HOH 205 76.325 40.934 25.465 1.00 27.20 O HETATM 2302 O HOH 206 62.384 46.304 41.308 1.00 23.67 O HETATM 2303 O HOH 207 72.070 39.218 33.016 1.00 24.03 O HETATM 2304 O HOH 208 72.156 31.652 24.314 1.00 29.90 O HETATM 2305 O HOH 209 64.987 42.467 19.052 1.00 15.53 O HETATM 2306 O HOH 210 51.004 42.614 7.242 1.00 31.02 O HETATM 2307 O HOH 211 47.661 34.938 12.513 1.00 19.23 O HETATM 2308 O HOH 212 49.978 48.459 9.265 1.00 27.27 O HETATM 2309 O HOH 213 56.855 30.643 27.828 1.00 17.23 O HETATM 2310 O HOH 214 53.525 42.159 9.218 1.00 20.57 O HETATM 2311 O HOH 215 61.051 33.104 19.024 1.00 14.43 O HETATM 2312 O HOH 216 62.272 38.427 40.721 1.00 17.21 O HETATM 2313 O HOH 217 55.240 51.738 25.735 1.00 13.80 O HETATM 2314 O HOH 218 53.732 22.395 22.296 1.00 31.98 O HETATM 2315 O HOH 219 68.889 47.172 22.621 1.00 17.72 O HETATM 2316 O HOH 220 55.372 40.236 43.823 1.00 20.27 O HETATM 2317 O HOH 221 58.545 27.945 21.789 1.00 30.15 O HETATM 2318 O HOH 222 56.197 33.272 27.319 1.00 14.45 O HETATM 2319 O HOH 223 73.386 38.248 38.235 1.00 28.25 O HETATM 2320 O HOH 224 57.650 37.442 43.685 1.00 31.16 O HETATM 2321 O HOH 225 70.124 38.309 23.724 1.00 21.16 O HETATM 2322 O HOH 226 71.185 39.281 39.486 1.00 21.51 O HETATM 2323 O HOH 227 46.877 27.503 37.528 1.00 25.12 O HETATM 2324 O HOH 228 74.122 37.290 30.412 1.00 19.32 O HETATM 2325 O HOH 229 46.605 34.258 49.033 1.00 34.50 O HETATM 2326 O HOH 230 67.982 40.587 43.237 1.00 20.39 O HETATM 2327 O HOH 231 64.589 31.659 42.180 1.00 29.39 O HETATM 2328 O HOH 232 71.065 35.405 24.650 1.00 24.73 O HETATM 2329 O HOH 233 75.471 42.395 31.674 1.00 19.16 O HETATM 2330 O HOH 234 46.480 41.883 14.979 1.00 11.73 O HETATM 2331 O HOH 235 64.365 39.196 42.674 1.00 23.12 O HETATM 2332 O HOH 236 63.079 24.931 30.263 1.00 26.91 O HETATM 2333 O HOH 237 49.008 31.834 46.087 1.00 27.64 O HETATM 2334 O HOH 238 61.852 24.897 35.286 1.00 26.72 O HETATM 2335 O HOH 239 46.052 20.237 21.953 1.00 33.41 O HETATM 2336 O HOH 240 64.244 34.573 13.657 1.00 32.64 O HETATM 2337 O HOH 241 57.739 42.177 43.587 1.00 28.36 O HETATM 2338 O HOH 242 46.386 48.165 11.358 1.00 20.25 O HETATM 2339 O HOH 243 51.095 33.816 47.717 1.00 27.70 O HETATM 2340 O HOH 244 57.044 51.674 16.198 1.00 24.44 O HETATM 2341 O HOH 245 55.942 28.076 20.535 1.00 28.34 O HETATM 2342 O HOH 246 72.574 45.448 33.049 1.00 18.27 O HETATM 2343 O HOH 247 58.718 55.464 21.791 1.00 30.35 O HETATM 2344 O HOH 248 63.624 49.486 38.754 1.00 27.42 O HETATM 2345 O HOH 249 66.302 33.161 41.805 1.00 32.15 O HETATM 2346 O HOH 250 65.366 55.802 24.031 1.00 40.72 O HETATM 2347 O HOH 251 54.122 45.282 8.638 1.00 18.80 O HETATM 2348 O HOH 252 69.284 48.568 33.199 1.00 21.57 O HETATM 2349 O HOH 253 61.966 31.606 13.510 1.00 35.75 O HETATM 2350 O HOH 254 66.124 43.072 16.803 1.00 23.79 O HETATM 2351 O HOH 255 65.751 45.275 17.026 1.00 17.24 O HETATM 2352 O HOH 256 69.774 36.302 16.635 1.00 34.03 O HETATM 2353 O HOH 257 70.952 26.844 34.631 1.00 31.43 O HETATM 2354 O HOH 258 58.181 27.246 39.743 1.00 22.21 O HETATM 2355 O HOH 259 65.030 41.497 14.327 1.00 24.84 O HETATM 2356 O HOH 260 62.369 54.054 30.604 1.00 31.02 O HETATM 2357 O HOH 261 62.168 29.982 43.117 1.00 33.11 O HETATM 2358 O HOH 262 45.968 30.321 14.174 1.00 30.23 O HETATM 2359 O HOH 263 49.963 24.133 31.330 1.00 24.82 O HETATM 2360 O HOH 264 48.829 25.810 39.973 1.00 36.35 O HETATM 2361 O HOH 265 50.283 24.002 36.588 1.00 32.24 O HETATM 2362 O HOH 266 51.141 22.006 29.724 1.00 30.10 O HETATM 2363 O HOH 267 61.849 28.145 21.290 1.00 34.36 O HETATM 2364 O HOH 268 54.409 30.232 31.271 1.00 17.29 O HETATM 2365 O HOH 269 48.238 47.198 8.411 1.00 26.37 O HETATM 2366 O HOH 270 52.590 40.966 45.160 1.00 24.79 O HETATM 2367 O HOH 271 56.565 31.910 30.403 1.00 17.53 O HETATM 2368 O HOH 272 51.959 56.169 16.659 1.00 35.51 O HETATM 2369 O HOH 273 74.247 43.413 27.266 1.00 18.55 O HETATM 2370 O HOH 274 58.551 30.579 13.626 1.00 31.92 O HETATM 2371 O HOH 275 66.394 25.841 29.221 1.00 29.26 O HETATM 2372 O HOH 276 63.642 27.932 23.162 1.00 24.91 O HETATM 2373 O HOH 277 67.844 49.623 37.369 1.00 18.85 O HETATM 2374 O HOH 278 71.787 47.558 29.135 1.00 27.17 O HETATM 2375 O HOH 279 60.443 49.032 40.692 1.00 30.94 O HETATM 2376 O HOH 280 67.040 52.384 21.990 1.00 30.96 O HETATM 2377 O HOH 281 75.416 39.332 28.984 1.00 24.58 O HETATM 2378 O HOH 282 53.616 52.464 22.064 1.00 32.13 O HETATM 2379 O HOH 283 65.771 30.897 14.701 1.00 42.03 O HETATM 2380 O HOH 284 78.707 35.390 29.491 1.00 36.84 O HETATM 2381 O HOH 285 48.812 40.219 46.085 1.00 32.47 O HETATM 2382 O HOH 286 58.632 34.955 11.651 1.00 31.36 O HETATM 2383 O HOH 287 61.527 38.597 12.141 1.00 27.20 O HETATM 2384 O HOH 288 56.855 53.835 29.226 1.00 23.79 O HETATM 2385 O HOH 289 56.948 24.747 39.911 1.00 38.26 O HETATM 2386 O HOH 290 55.786 52.718 23.243 1.00 23.83 O HETATM 2387 O HOH 291 78.142 37.480 37.542 1.00 30.10 O HETATM 2388 O HOH 292 59.427 40.145 11.061 1.00 23.16 O HETATM 2389 O HOH 293 65.953 36.579 42.615 1.00 29.18 O HETATM 2390 O HOH 294 61.117 29.763 15.636 1.00 37.23 O HETATM 2391 O HOH 295 54.730 39.746 8.832 1.00 30.56 O HETATM 2392 O HOH 296 70.908 46.890 31.535 1.00 20.84 O HETATM 2393 O HOH 297 70.038 50.045 35.389 1.00 34.25 O HETATM 2394 O HOH 298 65.718 46.949 19.148 1.00 22.60 O HETATM 2395 O HOH 299 66.470 28.364 21.722 1.00 33.45 O HETATM 2396 O HOH 300 75.734 42.057 28.931 1.00 19.08 O HETATM 2397 O HOH 301 58.115 38.084 10.124 1.00 36.69 O HETATM 2398 O HOH 302 80.091 38.385 33.457 1.00 29.88 O HETATM 2399 O HOH 303 54.628 36.828 10.203 1.00 34.33 O HETATM 2400 O HOH 304 57.969 50.310 14.731 1.00 31.27 O HETATM 2401 O HOH 305 76.138 39.475 23.143 1.00 34.22 O HETATM 2402 O HOH 306 62.996 41.367 10.868 1.00 30.50 O HETATM 2403 O HOH 307 52.905 22.599 37.070 1.00 37.77 O HETATM 2404 O HOH 308 74.347 45.725 28.959 1.00 22.60 O HETATM 2405 O HOH 309 78.048 38.471 29.152 1.00 31.15 O HETATM 2406 O HOH 310 52.728 47.989 8.320 1.00 30.99 O HETATM 2407 O HOH 311 56.916 48.842 8.416 1.00 31.80 O HETATM 2408 O HOH 312 56.380 55.222 22.924 1.00 33.65 O HETATM 2409 O HOH 313 79.054 39.537 31.393 1.00 28.17 O HETATM 2410 O HOH 314 47.069 32.156 12.119 1.00 32.17 O HETATM 2411 O HOH 315 68.213 51.560 36.007 1.00 34.00 O HETATM 2412 O HOH 316 68.708 37.961 42.925 1.00 31.90 O HETATM 2413 O HOH 317 74.811 45.080 31.422 1.00 18.64 O HETATM 2414 O HOH 318 59.546 40.796 44.288 1.00 32.17 O HETATM 2415 O HOH 319 68.802 49.295 24.439 1.00 23.50 O HETATM 2416 O HOH 320 56.755 44.898 7.809 1.00 19.07 O HETATM 2417 O HOH 321 59.098 42.776 9.288 1.00 26.82 O HETATM 2418 O HOH 322 56.188 26.282 18.375 1.00 35.41 O HETATM 2419 O HOH 323 61.887 36.787 45.080 1.00 32.83 O HETATM 2420 O HOH 324 68.278 51.069 33.471 1.00 39.43 O HETATM 2421 O HOH 325 60.463 38.367 43.108 1.00 34.79 O HETATM 2422 O HOH 326 63.292 34.954 45.144 1.00 36.04 O HETATM 2423 O HOH 327 78.214 43.030 28.612 1.00 25.61 O HETATM 2424 O HOH 328 57.677 45.950 5.572 1.00 25.93 O HETATM 2425 O HOH 329 53.607 48.732 5.836 1.00 38.47 O HETATM 2426 O HOH 330 57.882 44.134 3.789 1.00 28.75 O HETATM 2427 P IMP A 331 58.629 30.092 24.783 1.00 0.20 P HETATM 2428 O1P IMP A 331 57.560 29.488 23.904 1.00 -0.55 O HETATM 2429 O2P IMP A 331 58.887 29.316 26.057 1.00 -0.55 O HETATM 2430 O3P IMP A 331 58.521 31.579 25.000 1.00 -0.55 O HETATM 2431 O5' IMP A 331 59.974 29.922 23.953 1.00 -0.27 O HETATM 2432 C5' IMP A 331 61.211 30.382 24.485 1.00 0.11 C HETATM 2433 C4' IMP A 331 61.609 31.708 23.893 1.00 0.12 C HETATM 2434 O4' IMP A 331 62.892 32.098 24.458 1.00 -0.34 O HETATM 2435 C1' IMP A 331 63.808 32.366 23.417 1.00 0.20 C HETATM 2436 C2' IMP A 331 63.313 31.567 22.220 1.00 0.14 C HETATM 2437 C3' IMP A 331 61.797 31.693 22.372 1.00 0.11 C HETATM 2438 O3' IMP A 331 61.344 32.928 21.810 1.00 -0.39 O HETATM 2439 H5 IMP A 331 61.845 33.645 22.180 1.00 0.21 H HETATM 2440 H4 IMP A 331 61.271 30.847 21.905 1.00 0.06 H HETATM 2441 O2' IMP A 331 63.843 32.064 21.010 1.00 -0.38 O HETATM 2442 H7 IMP A 331 63.640 32.989 20.933 1.00 0.21 H HETATM 2443 H6 IMP A 331 63.610 30.512 22.310 1.00 0.07 H HETATM 2444 N9 IMP A 331 65.150 31.986 23.859 1.00 -0.18 N HETATM 2445 C8 IMP A 331 65.594 30.746 24.134 1.00 0.10 C HETATM 2446 N7 IMP A 331 66.905 30.767 24.502 1.00 -0.32 N HETATM 2447 C5 IMP A 331 67.317 32.046 24.462 1.00 0.10 C HETATM 2448 C6 IMP A 331 68.574 32.779 24.725 1.00 0.15 C HETATM 2449 O6 IMP A 331 69.604 32.164 25.090 1.00 -0.42 O HETATM 2450 N1 IMP A 331 68.566 34.112 24.563 1.00 -0.26 N HETATM 2451 C2 IMP A 331 67.460 34.776 24.163 1.00 0.13 C HETATM 2452 N3 IMP A 331 66.281 34.182 23.894 1.00 -0.21 N HETATM 2453 C4 IMP A 331 66.150 32.843 24.030 1.00 0.21 C HETATM 2454 H11 IMP A 331 65.478 34.748 23.584 1.00 0.24 H HETATM 2455 H10 IMP A 331 67.525 35.857 24.051 1.00 0.16 H HETATM 2456 H9 IMP A 331 64.986 29.845 24.071 1.00 0.12 H HETATM 2457 H8 IMP A 331 63.806 33.438 23.169 1.00 0.10 H HETATM 2458 H3 IMP A 331 60.840 32.451 24.150 1.00 0.07 H HETATM 2459 H1 IMP A 331 61.993 29.642 24.261 1.00 0.06 H HETATM 2460 H2 IMP A 331 61.112 30.493 25.575 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 2427 2428 2429 2430 2431 CONECT 2428 2427 CONECT 2429 2427 CONECT 2430 2427 CONECT 2431 2427 2432 CONECT 2432 2431 2433 2459 2460 CONECT 2433 2432 2434 2437 2458 CONECT 2434 2433 2435 CONECT 2435 2434 2436 2444 2457 CONECT 2436 2435 2437 2441 2443 CONECT 2437 2433 2436 2438 2440 CONECT 2438 2437 2439 CONECT 2439 2438 CONECT 2440 2437 CONECT 2441 2436 2442 CONECT 2442 2441 CONECT 2443 2436 CONECT 2444 2435 2445 2453 CONECT 2445 2444 2446 2456 CONECT 2446 2445 2447 CONECT 2447 2446 2448 2453 CONECT 2448 2447 2449 2450 CONECT 2449 2448 CONECT 2450 2448 2451 CONECT 2451 2450 2452 2455 CONECT 2452 2451 2453 2454 CONECT 2453 2444 2447 2452 CONECT 2454 2452 CONECT 2455 2451 CONECT 2456 2445 CONECT 2457 2435 CONECT 2458 2433 CONECT 2459 2432 CONECT 2460 2432 MASTER 0 0 0 0 0 0 0 0 2458 2 38 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5km0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i2e
RCSB PDB
PDBbind
129aa, >5I2E_1|Chains... *
5i2f
RCSB PDB
PDBbind
129aa, >5I2F_1|Chains... at 100%
5ipc
RCSB PDB
PDBbind
129aa, >5IPC_1|Chains... at 99%
5kly
RCSB PDB
PDBbind
129aa, >5KLY_1|Chains... at 99%
5klz
RCSB PDB
PDBbind
129aa, >5KLZ_1|Chains... at 100%
5km1
RCSB PDB
PDBbind
129aa, >5KM1_1|Chains... at 100%
5km2
RCSB PDB
PDBbind
129aa, >5KM2_1|Chains... at 100%
5km3
RCSB PDB
PDBbind
129aa, >5KM3_1|Chains... at 100%
5kma
RCSB PDB
PDBbind
129aa, >5KMA_1|Chains... at 99%
5wa8
RCSB PDB
PDBbind
129aa, >5WA8_1|Chains... at 99%
5wa9
RCSB PDB
PDBbind
129aa, >5WA9_1|Chains... at 99%
6n3y
RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3x
RCSB PDB
PDBbind
129aa, >6N3X_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
6n3v
RCSB PDB
PDBbind
129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g9s
RCSB PDB
PDBbind
IMP
1p17
RCSB PDB
PDBbind
IMP
1p19
RCSB PDB
PDBbind
IMP
1qk4
RCSB PDB
PDBbind
IMP
1yfz
RCSB PDB
PDBbind
IMP
1z6d
RCSB PDB
PDBbind
IMP
5k1f
RCSB PDB
PDBbind
IMP
5kam
RCSB PDB
PDBbind
IMP
6mxd
RCSB PDB
PDBbind
IMP
6hgr
RCSB PDB
PDBbind
IMP
Entry Information
PDB ID
5km0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histidine triad nucleotide-binding protein 1
Ligand Name
IMP
EC.Number
E.C.-.-.-.-
Resolution
1.53(Å)
Affinity (Kd/Ki/IC50)
Kd=4.9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula
C
1
0
H
1
4
N
4
O
8
P
Molecular Weight
349.214
Exact Mass
349.055
No. of atoms
37
No. of bonds
39
Polar Surface Area
196.77
LOGP Value
-3.96 (
Computed with XLOGP3
)
-2.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]cnc2=O)COP(O)(O)O
InChI String
InChI=1S/C10H15N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16,18-20,23H,1H2,(H,11,12,17)/t4-,6-,7-,10-/m1/s1
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UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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