Browse entries in the PDBbind-CN Database
HEADER 6POQ_COMPLEX COMPND 6POQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 188 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 188 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 188 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 188 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 188 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 188 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 188 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 188 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 188 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 188 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 188 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 188 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 188 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 188 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 188 LYS TYR LEU SER GLU LYS HET OVJ A 413 36 ATOM 1 N ALA A 1 22.955 -18.265 -19.509 1.00 62.97 N ATOM 2 CA ALA A 1 23.953 -18.889 -18.645 1.00 52.75 C ATOM 3 C ALA A 1 23.408 -19.086 -17.227 1.00 48.97 C ATOM 4 O ALA A 1 22.479 -18.391 -16.803 1.00 51.57 O ATOM 5 CB ALA A 1 25.217 -18.052 -18.615 1.00 57.77 C ATOM 6 HN3 ALA A 1 22.694 -17.336 -19.120 1.00 0.00 H ATOM 7 HN2 ALA A 1 22.112 -18.872 -19.557 1.00 0.00 H ATOM 8 HN1 ALA A 1 23.351 -18.144 -20.463 1.00 0.00 H ATOM 9 N GLN A 2 23.989 -20.040 -16.495 1.00 38.08 N ATOM 10 CA GLN A 2 23.549 -20.283 -15.122 1.00 35.73 C ATOM 11 C GLN A 2 23.890 -19.108 -14.213 1.00 38.91 C ATOM 12 O GLN A 2 23.086 -18.718 -13.360 1.00 39.70 O ATOM 13 CB GLN A 2 24.172 -21.578 -14.599 1.00 33.89 C ATOM 14 CG GLN A 2 23.658 -22.828 -15.349 1.00 34.56 C ATOM 15 CD GLN A 2 22.249 -23.216 -14.926 1.00 38.93 C ATOM 16 OE1 GLN A 2 21.693 -22.655 -13.970 1.00 40.24 O ATOM 17 NE2 GLN A 2 21.669 -24.181 -15.624 1.00 35.96 N ATOM 18 HE22 GLN A 2 22.174 -24.623 -16.419 1.00 0.00 H ATOM 19 HE21 GLN A 2 20.709 -24.496 -15.377 1.00 0.00 H ATOM 20 H GLN A 2 24.756 -20.612 -16.903 1.00 0.00 H ATOM 21 N TYR A 3 25.076 -18.543 -14.374 1.00 34.64 N ATOM 22 CA TYR A 3 25.479 -17.334 -13.679 1.00 34.22 C ATOM 23 C TYR A 3 25.420 -16.185 -14.675 1.00 39.16 C ATOM 24 O TYR A 3 26.030 -16.262 -15.745 1.00 45.09 O ATOM 25 CB TYR A 3 26.887 -17.486 -13.124 1.00 32.60 C ATOM 26 CG TYR A 3 27.016 -18.495 -12.001 1.00 30.65 C ATOM 27 CD1 TYR A 3 26.770 -18.127 -10.672 1.00 29.56 C ATOM 28 CD2 TYR A 3 27.415 -19.804 -12.261 1.00 29.99 C ATOM 29 CE1 TYR A 3 26.896 -19.042 -9.647 1.00 30.15 C ATOM 30 CE2 TYR A 3 27.546 -20.733 -11.235 1.00 28.31 C ATOM 31 CZ TYR A 3 27.297 -20.343 -9.934 1.00 31.56 C ATOM 32 OH TYR A 3 27.428 -21.272 -8.923 1.00 32.14 O ATOM 33 HH TYR A 3 27.218 -20.845 -8.055 1.00 0.00 H ATOM 34 H TYR A 3 25.751 -18.986 -15.029 1.00 0.00 H ATOM 35 N GLU A 4 24.705 -15.119 -14.323 1.00 36.90 N ATOM 36 CA GLU A 4 24.493 -14.017 -15.253 1.00 38.98 C ATOM 37 C GLU A 4 24.762 -12.692 -14.567 1.00 38.74 C ATOM 38 O GLU A 4 24.379 -12.486 -13.410 1.00 45.34 O ATOM 39 CB GLU A 4 23.072 -14.024 -15.827 1.00 45.36 C ATOM 40 CG GLU A 4 22.793 -15.195 -16.749 1.00 50.16 C ATOM 41 CD GLU A 4 21.480 -15.057 -17.495 1.00 55.67 C ATOM 42 OE1 GLU A 4 20.543 -14.439 -16.939 1.00 58.57 O ATOM 43 OE2 GLU A 4 21.383 -15.581 -18.629 1.00 51.16 O ATOM 44 H GLU A 4 24.291 -15.072 -13.370 1.00 0.00 H ATOM 45 N ASP A 5 25.454 -11.812 -15.281 1.00 42.80 N ATOM 46 CA ASP A 5 25.678 -10.466 -14.788 1.00 49.94 C ATOM 47 C ASP A 5 24.332 -9.791 -14.560 1.00 51.75 C ATOM 48 O ASP A 5 23.471 -9.795 -15.443 1.00 53.12 O ATOM 49 CB ASP A 5 26.518 -9.682 -15.784 1.00 56.38 C ATOM 50 CG ASP A 5 27.092 -8.423 -15.187 1.00 68.00 C ATOM 51 OD1 ASP A 5 26.438 -7.806 -14.317 1.00 66.40 O ATOM 52 OD2 ASP A 5 28.210 -8.059 -15.592 1.00 74.36 O ATOM 53 H ASP A 5 25.840 -12.091 -16.205 1.00 0.00 H ATOM 54 N GLY A 6 24.138 -9.238 -13.364 1.00 52.05 N ATOM 55 CA GLY A 6 22.863 -8.669 -12.982 1.00 52.23 C ATOM 56 C GLY A 6 21.959 -9.598 -12.198 1.00 58.16 C ATOM 57 O GLY A 6 20.905 -9.152 -11.728 1.00 60.51 O ATOM 58 H GLY A 6 24.925 -9.214 -12.685 1.00 0.00 H ATOM 59 N LYS A 7 22.333 -10.870 -12.044 1.00 46.62 N ATOM 60 CA LYS A 7 21.556 -11.814 -11.249 1.00 51.31 C ATOM 61 C LYS A 7 22.277 -12.142 -9.942 1.00 48.58 C ATOM 62 O LYS A 7 21.980 -11.549 -8.900 1.00 47.62 O ATOM 63 CB LYS A 7 21.277 -13.097 -12.044 1.00 49.95 C ATOM 64 H LYS A 7 23.205 -11.198 -12.505 1.00 0.00 H ATOM 65 N GLN A 8 23.221 -13.083 -9.977 1.00 34.15 N ATOM 66 CA GLN A 8 23.967 -13.411 -8.768 1.00 34.38 C ATOM 67 C GLN A 8 25.075 -12.415 -8.489 1.00 33.64 C ATOM 68 O GLN A 8 25.588 -12.384 -7.367 1.00 33.79 O ATOM 69 CB GLN A 8 24.574 -14.816 -8.854 1.00 36.08 C ATOM 70 CG GLN A 8 23.568 -15.928 -9.101 1.00 46.55 C ATOM 71 CD GLN A 8 23.426 -16.259 -10.575 1.00 50.56 C ATOM 72 OE1 GLN A 8 23.635 -15.404 -11.440 1.00 42.81 O ATOM 73 NE2 GLN A 8 23.093 -17.516 -10.869 1.00 50.99 N ATOM 74 HE22 GLN A 8 22.926 -18.202 -10.105 1.00 0.00 H ATOM 75 HE21 GLN A 8 23.000 -17.811 -11.862 1.00 0.00 H ATOM 76 H GLN A 8 23.425 -13.583 -10.866 1.00 0.00 H ATOM 77 N TYR A 9 25.460 -11.618 -9.485 1.00 33.51 N ATOM 78 CA TYR A 9 26.571 -10.687 -9.326 1.00 37.69 C ATOM 79 C TYR A 9 26.412 -9.555 -10.329 1.00 42.39 C ATOM 80 O TYR A 9 25.630 -9.644 -11.280 1.00 42.31 O ATOM 81 CB TYR A 9 27.925 -11.378 -9.518 1.00 31.75 C ATOM 82 CG TYR A 9 28.210 -11.816 -10.944 1.00 35.15 C ATOM 83 CD1 TYR A 9 27.763 -13.045 -11.419 1.00 39.26 C ATOM 84 CD2 TYR A 9 28.914 -10.992 -11.818 1.00 39.08 C ATOM 85 CE1 TYR A 9 28.013 -13.448 -12.723 1.00 40.42 C ATOM 86 CE2 TYR A 9 29.167 -11.383 -13.121 1.00 39.56 C ATOM 87 CZ TYR A 9 28.713 -12.615 -13.572 1.00 40.72 C ATOM 88 OH TYR A 9 28.966 -13.006 -14.864 1.00 45.04 O ATOM 89 HH TYR A 9 28.576 -13.903 -15.019 1.00 0.00 H ATOM 90 H TYR A 9 24.958 -11.661 -10.395 1.00 0.00 H ATOM 91 N THR A 10 27.162 -8.487 -10.090 1.00 44.62 N ATOM 92 CA THR A 10 27.276 -7.366 -11.006 1.00 41.03 C ATOM 93 C THR A 10 28.756 -7.141 -11.295 1.00 38.80 C ATOM 94 O THR A 10 29.631 -7.636 -10.579 1.00 36.53 O ATOM 95 CB THR A 10 26.610 -6.098 -10.426 1.00 40.85 C ATOM 96 OG1 THR A 10 27.187 -5.782 -9.146 1.00 41.42 O ATOM 97 CG2 THR A 10 25.134 -6.344 -10.224 1.00 37.41 C ATOM 98 HG1 THR A 10 27.044 -6.539 -8.525 1.00 0.00 H ATOM 99 H THR A 10 27.697 -8.451 -9.199 1.00 0.00 H ATOM 100 N THR A 11 29.041 -6.434 -12.382 1.00 49.05 N ATOM 101 CA THR A 11 30.414 -6.203 -12.811 1.00 52.13 C ATOM 102 C THR A 11 30.722 -4.726 -12.658 1.00 48.55 C ATOM 103 O THR A 11 29.942 -3.880 -13.105 1.00 52.30 O ATOM 104 CB THR A 11 30.643 -6.655 -14.259 1.00 56.62 C ATOM 105 OG1 THR A 11 30.140 -7.988 -14.431 1.00 52.76 O ATOM 106 CG2 THR A 11 32.126 -6.648 -14.595 1.00 54.60 C ATOM 107 HG1 THR A 11 29.171 -8.002 -14.230 1.00 0.00 H ATOM 108 H THR A 11 28.262 -6.034 -12.943 1.00 0.00 H ATOM 109 N LEU A 12 31.838 -4.422 -12.004 1.00 52.43 N ATOM 110 CA LEU A 12 32.176 -3.035 -11.728 1.00 52.60 C ATOM 111 C LEU A 12 32.469 -2.311 -13.032 1.00 57.63 C ATOM 112 O LEU A 12 33.175 -2.832 -13.900 1.00 47.55 O ATOM 113 CB LEU A 12 33.378 -2.951 -10.793 1.00 49.51 C ATOM 114 CG LEU A 12 33.136 -3.331 -9.328 1.00 43.74 C ATOM 115 CD1 LEU A 12 34.443 -3.311 -8.566 1.00 37.97 C ATOM 116 CD2 LEU A 12 32.124 -2.393 -8.695 1.00 47.76 C ATOM 117 H LEU A 12 32.474 -5.181 -11.687 1.00 0.00 H ATOM 118 N GLU A 13 31.923 -1.101 -13.171 1.00 62.04 N ATOM 119 CA GLU A 13 32.175 -0.332 -14.383 1.00 64.71 C ATOM 120 C GLU A 13 33.630 0.113 -14.474 1.00 62.68 C ATOM 121 O GLU A 13 34.155 0.285 -15.578 1.00 68.34 O ATOM 122 CB GLU A 13 31.233 0.869 -14.450 1.00 68.26 C ATOM 123 CG GLU A 13 30.044 0.648 -15.375 1.00 72.71 C ATOM 124 CD GLU A 13 29.077 1.813 -15.378 1.00 75.91 C ATOM 125 OE1 GLU A 13 27.879 1.592 -15.100 1.00 75.74 O ATOM 126 OE2 GLU A 13 29.513 2.949 -15.662 1.00 79.10 O ATOM 127 H GLU A 13 31.321 -0.709 -12.419 1.00 0.00 H ATOM 128 N LYS A 14 34.300 0.296 -13.339 1.00 60.27 N ATOM 129 CA LYS A 14 35.727 0.609 -13.318 1.00 60.70 C ATOM 130 C LYS A 14 36.424 -0.417 -12.438 1.00 58.50 C ATOM 131 O LYS A 14 36.414 -0.288 -11.200 1.00 58.76 O ATOM 132 CB LYS A 14 35.983 2.024 -12.807 1.00 62.62 C ATOM 133 CG LYS A 14 35.214 3.102 -13.548 1.00 66.31 C ATOM 134 CD LYS A 14 35.796 4.485 -13.277 1.00 71.68 C ATOM 135 H LYS A 14 33.791 0.213 -12.436 1.00 0.00 H ATOM 136 N PRO A 15 37.029 -1.450 -13.022 1.00 58.93 N ATOM 137 CA PRO A 15 37.709 -2.468 -12.209 1.00 59.63 C ATOM 138 C PRO A 15 38.791 -1.856 -11.334 1.00 63.06 C ATOM 139 O PRO A 15 39.391 -0.833 -11.671 1.00 67.29 O ATOM 140 CB PRO A 15 38.308 -3.414 -13.255 1.00 65.10 C ATOM 141 CG PRO A 15 37.436 -3.225 -14.465 1.00 68.28 C ATOM 142 CD PRO A 15 37.068 -1.768 -14.459 1.00 60.90 C ATOM 143 N VAL A 16 39.038 -2.502 -10.198 1.00 59.56 N ATOM 144 CA VAL A 16 39.985 -2.022 -9.199 1.00 55.92 C ATOM 145 C VAL A 16 41.235 -2.887 -9.297 1.00 60.95 C ATOM 146 O VAL A 16 41.277 -4.009 -8.784 1.00 61.51 O ATOM 147 CB VAL A 16 39.389 -2.054 -7.791 1.00 48.90 C ATOM 148 CG1 VAL A 16 40.331 -1.383 -6.808 1.00 53.83 C ATOM 149 CG2 VAL A 16 38.014 -1.390 -7.783 1.00 47.92 C ATOM 150 H VAL A 16 38.532 -3.392 -10.014 1.00 0.00 H ATOM 151 N ALA A 17 42.263 -2.359 -9.953 1.00 68.07 N ATOM 152 CA ALA A 17 43.532 -3.065 -10.050 1.00 66.86 C ATOM 153 C ALA A 17 44.192 -3.155 -8.682 1.00 67.02 C ATOM 154 O ALA A 17 44.138 -2.215 -7.883 1.00 65.73 O ATOM 155 CB ALA A 17 44.459 -2.355 -11.034 1.00 68.47 C ATOM 156 H ALA A 17 42.159 -1.428 -10.404 1.00 0.00 H ATOM 157 N GLY A 18 44.812 -4.301 -8.410 1.00 64.77 N ATOM 158 CA GLY A 18 45.517 -4.497 -7.160 1.00 60.10 C ATOM 159 C GLY A 18 44.639 -4.716 -5.955 1.00 68.61 C ATOM 160 O GLY A 18 45.150 -4.726 -4.830 1.00 76.70 O ATOM 161 H GLY A 18 44.790 -5.071 -9.109 1.00 0.00 H ATOM 162 N ALA A 19 43.336 -4.897 -6.148 1.00 62.64 N ATOM 163 CA ALA A 19 42.442 -5.117 -5.030 1.00 55.25 C ATOM 164 C ALA A 19 42.638 -6.523 -4.460 1.00 37.86 C ATOM 165 O ALA A 19 43.139 -7.418 -5.139 1.00 53.15 O ATOM 166 CB ALA A 19 40.991 -4.911 -5.466 1.00 58.38 C ATOM 167 H ALA A 19 42.954 -4.880 -7.115 1.00 0.00 H ATOM 168 N PRO A 20 42.265 -6.734 -3.200 1.00 51.15 N ATOM 169 CA PRO A 20 42.320 -8.086 -2.635 1.00 50.22 C ATOM 170 C PRO A 20 41.341 -9.037 -3.321 1.00 52.03 C ATOM 171 O PRO A 20 40.305 -8.635 -3.861 1.00 55.37 O ATOM 172 CB PRO A 20 41.957 -7.871 -1.159 1.00 44.62 C ATOM 173 CG PRO A 20 41.319 -6.532 -1.099 1.00 46.02 C ATOM 174 CD PRO A 20 41.938 -5.721 -2.182 1.00 47.97 C ATOM 175 N GLN A 21 41.687 -10.328 -3.274 1.00 39.10 N ATOM 176 CA GLN A 21 40.974 -11.339 -4.053 1.00 40.19 C ATOM 177 C GLN A 21 39.519 -11.461 -3.619 1.00 36.18 C ATOM 178 O GLN A 21 38.607 -11.490 -4.454 1.00 36.50 O ATOM 179 CB GLN A 21 41.676 -12.688 -3.920 1.00 43.82 C ATOM 180 CG GLN A 21 43.050 -12.744 -4.566 1.00 62.77 C ATOM 181 CD GLN A 21 44.106 -13.329 -3.644 1.00 74.64 C ATOM 182 OE1 GLN A 21 44.014 -14.484 -3.223 1.00 80.85 O ATOM 183 NE2 GLN A 21 45.115 -12.530 -3.324 1.00 75.02 N ATOM 184 HE22 GLN A 21 45.152 -11.562 -3.703 1.00 0.00 H ATOM 185 HE21 GLN A 21 45.869 -12.871 -2.694 1.00 0.00 H ATOM 186 H GLN A 21 42.481 -10.619 -2.669 1.00 0.00 H ATOM 187 N VAL A 22 39.284 -11.564 -2.318 1.00 33.91 N ATOM 188 CA VAL A 22 37.940 -11.599 -1.747 1.00 26.77 C ATOM 189 C VAL A 22 37.886 -10.506 -0.691 1.00 27.15 C ATOM 190 O VAL A 22 38.593 -10.576 0.324 1.00 29.81 O ATOM 191 CB VAL A 22 37.599 -12.965 -1.138 1.00 35.67 C ATOM 192 CG1 VAL A 22 36.266 -12.893 -0.403 1.00 35.16 C ATOM 193 CG2 VAL A 22 37.565 -14.032 -2.228 1.00 43.12 C ATOM 194 H VAL A 22 40.097 -11.623 -1.672 1.00 0.00 H ATOM 195 N LEU A 23 37.043 -9.503 -0.923 1.00 24.55 N ATOM 196 CA LEU A 23 36.995 -8.317 -0.077 1.00 28.31 C ATOM 197 C LEU A 23 35.573 -8.113 0.401 1.00 28.47 C ATOM 198 O LEU A 23 34.674 -7.901 -0.416 1.00 27.69 O ATOM 199 CB LEU A 23 37.478 -7.086 -0.845 1.00 32.40 C ATOM 200 CG LEU A 23 37.482 -5.736 -0.133 1.00 37.62 C ATOM 201 CD1 LEU A 23 38.343 -5.799 1.111 1.00 38.33 C ATOM 202 CD2 LEU A 23 38.002 -4.673 -1.089 1.00 42.20 C ATOM 203 H LEU A 23 36.397 -9.567 -1.735 1.00 0.00 H ATOM 204 N GLU A 24 35.374 -8.153 1.718 1.00 22.60 N ATOM 205 CA GLU A 24 34.065 -7.954 2.319 1.00 23.03 C ATOM 206 C GLU A 24 34.056 -6.618 3.044 1.00 25.57 C ATOM 207 O GLU A 24 35.067 -6.220 3.618 1.00 24.75 O ATOM 208 CB GLU A 24 33.722 -9.067 3.309 1.00 29.18 C ATOM 209 CG GLU A 24 33.521 -10.430 2.668 1.00 25.08 C ATOM 210 CD GLU A 24 33.100 -11.500 3.678 1.00 28.33 C ATOM 211 OE1 GLU A 24 33.974 -12.021 4.403 1.00 33.95 O ATOM 212 OE2 GLU A 24 31.887 -11.816 3.754 1.00 31.99 O ATOM 213 H GLU A 24 36.187 -8.334 2.341 1.00 0.00 H ATOM 214 N PHE A 25 32.924 -5.931 2.997 1.00 23.16 N ATOM 215 CA PHE A 25 32.711 -4.701 3.746 1.00 26.66 C ATOM 216 C PHE A 25 31.510 -4.895 4.654 1.00 22.05 C ATOM 217 O PHE A 25 30.516 -5.503 4.243 1.00 21.50 O ATOM 218 CB PHE A 25 32.451 -3.503 2.815 1.00 23.42 C ATOM 219 CG PHE A 25 33.651 -3.073 2.017 1.00 23.91 C ATOM 220 CD1 PHE A 25 34.625 -2.281 2.591 1.00 24.14 C ATOM 221 CD2 PHE A 25 33.792 -3.441 0.676 1.00 23.28 C ATOM 222 CE1 PHE A 25 35.734 -1.845 1.850 1.00 26.12 C ATOM 223 CE2 PHE A 25 34.886 -3.016 -0.059 1.00 23.73 C ATOM 224 CZ PHE A 25 35.862 -2.228 0.534 1.00 28.19 C ATOM 225 H PHE A 25 32.152 -6.287 2.398 1.00 0.00 H ATOM 226 N PHE A 26 31.597 -4.376 5.888 1.00 20.46 N ATOM 227 CA PHE A 26 30.501 -4.528 6.831 1.00 21.17 C ATOM 228 C PHE A 26 30.469 -3.323 7.751 1.00 24.31 C ATOM 229 O PHE A 26 31.420 -2.537 7.814 1.00 19.59 O ATOM 230 CB PHE A 26 30.622 -5.823 7.646 1.00 17.66 C ATOM 231 CG PHE A 26 31.609 -5.729 8.793 1.00 21.35 C ATOM 232 CD1 PHE A 26 32.976 -5.684 8.537 1.00 20.38 C ATOM 233 CD2 PHE A 26 31.174 -5.709 10.113 1.00 21.71 C ATOM 234 CE1 PHE A 26 33.892 -5.601 9.559 1.00 23.58 C ATOM 235 CE2 PHE A 26 32.092 -5.626 11.162 1.00 20.88 C ATOM 236 CZ PHE A 26 33.463 -5.572 10.891 1.00 21.16 C ATOM 237 H PHE A 26 32.455 -3.861 6.172 1.00 0.00 H ATOM 238 N SER A 27 29.368 -3.199 8.487 1.00 19.91 N ATOM 239 CA SER A 27 29.299 -2.253 9.605 1.00 22.52 C ATOM 240 C SER A 27 28.740 -2.988 10.810 1.00 22.85 C ATOM 241 O SER A 27 27.826 -3.800 10.667 1.00 19.70 O ATOM 242 CB SER A 27 28.405 -1.042 9.297 1.00 22.40 C ATOM 243 OG SER A 27 28.241 -0.247 10.476 1.00 23.95 O ATOM 244 HG SER A 27 29.127 0.070 10.785 1.00 0.00 H ATOM 245 H SER A 27 28.538 -3.786 8.265 1.00 0.00 H ATOM 246 N PHE A 28 29.252 -2.683 12.002 1.00 21.95 N ATOM 247 CA PHE A 28 28.602 -3.254 13.185 1.00 22.85 C ATOM 248 C PHE A 28 27.214 -2.680 13.427 1.00 22.64 C ATOM 249 O PHE A 28 26.491 -3.219 14.271 1.00 23.59 O ATOM 250 CB PHE A 28 29.464 -3.057 14.437 1.00 20.93 C ATOM 251 CG PHE A 28 30.697 -3.920 14.465 1.00 22.07 C ATOM 252 CD1 PHE A 28 30.601 -5.296 14.696 1.00 19.02 C ATOM 253 CD2 PHE A 28 31.948 -3.356 14.253 1.00 20.10 C ATOM 254 CE1 PHE A 28 31.719 -6.091 14.686 1.00 20.06 C ATOM 255 CE2 PHE A 28 33.099 -4.159 14.277 1.00 24.77 C ATOM 256 CZ PHE A 28 32.980 -5.522 14.499 1.00 19.03 C ATOM 257 H PHE A 28 30.082 -2.063 12.090 1.00 0.00 H ATOM 258 N PHE A 29 26.827 -1.605 12.722 1.00 20.80 N ATOM 259 CA PHE A 29 25.460 -1.078 12.758 1.00 23.13 C ATOM 260 C PHE A 29 24.529 -1.739 11.747 1.00 29.02 C ATOM 261 O PHE A 29 23.317 -1.463 11.757 1.00 26.83 O ATOM 262 CB PHE A 29 25.460 0.435 12.490 1.00 21.56 C ATOM 263 CG PHE A 29 25.823 1.264 13.674 1.00 21.84 C ATOM 264 CD1 PHE A 29 24.867 1.614 14.619 1.00 22.33 C ATOM 265 CD2 PHE A 29 27.131 1.715 13.846 1.00 27.18 C ATOM 266 CE1 PHE A 29 25.199 2.390 15.703 1.00 24.88 C ATOM 267 CE2 PHE A 29 27.461 2.492 14.938 1.00 26.04 C ATOM 268 CZ PHE A 29 26.499 2.825 15.868 1.00 30.75 C ATOM 269 H PHE A 29 27.529 -1.125 12.123 1.00 0.00 H ATOM 270 N CYS A 30 25.055 -2.597 10.885 1.00 22.15 N ATOM 271 CA CYS A 30 24.331 -3.093 9.719 1.00 25.93 C ATOM 272 C CYS A 30 23.547 -4.362 10.064 1.00 22.78 C ATOM 273 O CYS A 30 24.157 -5.367 10.457 1.00 23.85 O ATOM 274 CB CYS A 30 25.340 -3.325 8.600 1.00 25.74 C ATOM 275 SG CYS A 30 24.827 -4.095 7.044 1.00 32.84 S ATOM 276 H CYS A 30 26.026 -2.932 11.046 1.00 0.00 H ATOM 277 N PRO A 31 22.209 -4.352 9.991 1.00 23.07 N ATOM 278 CA PRO A 31 21.450 -5.543 10.429 1.00 21.29 C ATOM 279 C PRO A 31 21.737 -6.800 9.627 1.00 22.42 C ATOM 280 O PRO A 31 21.881 -7.881 10.213 1.00 25.82 O ATOM 281 CB PRO A 31 19.986 -5.087 10.290 1.00 24.90 C ATOM 282 CG PRO A 31 20.045 -3.617 10.480 1.00 27.54 C ATOM 283 CD PRO A 31 21.342 -3.168 9.840 1.00 28.02 C ATOM 284 N HIS A 32 21.835 -6.711 8.293 1.00 26.34 N ATOM 285 CA HIS A 32 22.189 -7.909 7.532 1.00 22.53 C ATOM 286 C HIS A 32 23.594 -8.383 7.860 1.00 31.59 C ATOM 287 O HIS A 32 23.867 -9.583 7.794 1.00 28.34 O ATOM 288 CB HIS A 32 22.052 -7.653 6.031 1.00 28.32 C ATOM 289 CG HIS A 32 20.631 -7.534 5.567 1.00 29.68 C ATOM 290 ND1 HIS A 32 20.255 -6.728 4.511 1.00 38.51 N ATOM 291 CD2 HIS A 32 19.497 -8.138 6.000 1.00 39.80 C ATOM 292 CE1 HIS A 32 18.949 -6.824 4.330 1.00 36.35 C ATOM 293 NE2 HIS A 32 18.465 -7.673 5.220 1.00 36.73 N ATOM 294 H HIS A 32 21.663 -5.807 7.808 1.00 0.00 H ATOM 295 N CYS A 33 24.501 -7.462 8.210 1.00 23.44 N ATOM 296 CA CYS A 33 25.847 -7.865 8.596 1.00 22.85 C ATOM 297 C CYS A 33 25.820 -8.710 9.862 1.00 22.68 C ATOM 298 O CYS A 33 26.579 -9.680 9.991 1.00 25.74 O ATOM 299 CB CYS A 33 26.728 -6.616 8.781 1.00 20.70 C ATOM 300 SG CYS A 33 26.793 -5.578 7.277 1.00 25.23 S ATOM 301 H CYS A 33 24.243 -6.454 8.206 1.00 0.00 H ATOM 302 N TYR A 34 24.959 -8.343 10.818 1.00 21.62 N ATOM 303 CA TYR A 34 24.771 -9.155 12.016 1.00 21.33 C ATOM 304 C TYR A 34 24.377 -10.580 11.647 1.00 26.65 C ATOM 305 O TYR A 34 24.912 -11.552 12.191 1.00 25.04 O ATOM 306 CB TYR A 34 23.685 -8.521 12.875 1.00 22.39 C ATOM 307 CG TYR A 34 23.505 -9.088 14.245 1.00 24.24 C ATOM 308 CD1 TYR A 34 22.824 -10.290 14.447 1.00 22.89 C ATOM 309 CD2 TYR A 34 23.958 -8.387 15.367 1.00 24.06 C ATOM 310 CE1 TYR A 34 22.640 -10.793 15.731 1.00 26.24 C ATOM 311 CE2 TYR A 34 23.776 -8.887 16.646 1.00 22.66 C ATOM 312 CZ TYR A 34 23.111 -10.071 16.823 1.00 23.59 C ATOM 313 OH TYR A 34 22.950 -10.570 18.099 1.00 24.70 O ATOM 314 HH TYR A 34 22.453 -11.425 18.057 1.00 0.00 H ATOM 315 H TYR A 34 24.414 -7.464 10.706 1.00 0.00 H ATOM 316 N GLN A 35 23.409 -10.715 10.744 1.00 25.71 N ATOM 317 CA GLN A 35 22.988 -12.049 10.303 1.00 31.43 C ATOM 318 C GLN A 35 24.123 -12.764 9.569 1.00 24.30 C ATOM 319 O GLN A 35 24.396 -13.942 9.830 1.00 24.90 O ATOM 320 CB GLN A 35 21.741 -11.940 9.412 1.00 32.30 C ATOM 321 CG GLN A 35 20.603 -11.058 9.957 1.00 41.95 C ATOM 322 CD GLN A 35 19.831 -11.714 11.106 1.00 50.66 C ATOM 323 OE1 GLN A 35 19.950 -12.914 11.339 1.00 56.30 O ATOM 324 NE2 GLN A 35 19.045 -10.918 11.836 1.00 50.16 N ATOM 325 HE22 GLN A 35 18.972 -9.906 11.606 1.00 0.00 H ATOM 326 HE21 GLN A 35 18.506 -11.310 12.635 1.00 0.00 H ATOM 327 H GLN A 35 22.949 -9.870 10.349 1.00 0.00 H ATOM 328 N PHE A 36 24.828 -12.050 8.673 1.00 24.03 N ATOM 329 CA PHE A 36 25.951 -12.655 7.950 1.00 24.39 C ATOM 330 C PHE A 36 26.978 -13.244 8.902 1.00 32.03 C ATOM 331 O PHE A 36 27.628 -14.245 8.578 1.00 22.84 O ATOM 332 CB PHE A 36 26.628 -11.616 7.047 1.00 23.87 C ATOM 333 CG PHE A 36 26.057 -11.556 5.645 1.00 30.70 C ATOM 334 CD1 PHE A 36 24.695 -11.729 5.434 1.00 28.89 C ATOM 335 CD2 PHE A 36 26.876 -11.316 4.559 1.00 28.68 C ATOM 336 CE1 PHE A 36 24.159 -11.661 4.153 1.00 36.19 C ATOM 337 CE2 PHE A 36 26.354 -11.249 3.274 1.00 27.21 C ATOM 338 CZ PHE A 36 24.996 -11.427 3.072 1.00 30.60 C ATOM 339 H PHE A 36 24.574 -11.058 8.491 1.00 0.00 H ATOM 340 N GLU A 37 27.128 -12.637 10.078 1.00 22.18 N ATOM 341 CA GLU A 37 28.051 -13.128 11.092 1.00 23.66 C ATOM 342 C GLU A 37 27.448 -14.260 11.920 1.00 26.00 C ATOM 343 O GLU A 37 27.977 -15.372 11.926 1.00 29.03 O ATOM 344 CB GLU A 37 28.490 -11.977 12.003 1.00 26.88 C ATOM 345 CG GLU A 37 29.358 -12.441 13.186 1.00 27.49 C ATOM 346 CD GLU A 37 30.669 -13.075 12.731 1.00 29.77 C ATOM 347 OE1 GLU A 37 31.229 -12.633 11.696 1.00 24.02 O ATOM 348 OE2 GLU A 37 31.129 -14.025 13.408 1.00 29.94 O ATOM 349 H GLU A 37 26.568 -11.784 10.279 1.00 0.00 H ATOM 350 N GLU A 38 26.355 -13.992 12.648 1.00 25.30 N ATOM 351 CA GLU A 38 25.903 -14.916 13.686 1.00 27.95 C ATOM 352 C GLU A 38 25.025 -16.054 13.186 1.00 29.72 C ATOM 353 O GLU A 38 25.050 -17.146 13.781 1.00 31.56 O ATOM 354 CB GLU A 38 25.137 -14.164 14.775 1.00 32.89 C ATOM 355 CG GLU A 38 26.000 -13.159 15.510 1.00 23.02 C ATOM 356 CD GLU A 38 25.510 -12.925 16.926 1.00 31.87 C ATOM 357 OE1 GLU A 38 24.581 -13.629 17.374 1.00 35.97 O ATOM 358 OE2 GLU A 38 26.062 -12.039 17.582 1.00 38.53 O ATOM 359 H GLU A 38 25.822 -13.116 12.472 1.00 0.00 H ATOM 360 N VAL A 39 24.249 -15.827 12.128 1.00 29.42 N ATOM 361 CA VAL A 39 23.236 -16.785 11.675 1.00 26.14 C ATOM 362 C VAL A 39 23.680 -17.538 10.430 1.00 24.44 C ATOM 363 O VAL A 39 23.407 -18.730 10.282 1.00 28.55 O ATOM 364 CB VAL A 39 21.913 -16.030 11.428 1.00 33.49 C ATOM 365 CG1 VAL A 39 20.892 -16.909 10.702 1.00 36.66 C ATOM 366 CG2 VAL A 39 21.338 -15.517 12.759 1.00 42.25 C ATOM 367 H VAL A 39 24.366 -14.937 11.603 1.00 0.00 H ATOM 368 N LEU A 40 24.384 -16.860 9.537 1.00 23.56 N ATOM 369 CA LEU A 40 24.765 -17.444 8.260 1.00 24.71 C ATOM 370 C LEU A 40 26.239 -17.818 8.179 1.00 32.76 C ATOM 371 O LEU A 40 26.589 -18.723 7.417 1.00 29.19 O ATOM 372 CB LEU A 40 24.423 -16.474 7.126 1.00 24.74 C ATOM 373 CG LEU A 40 22.962 -15.999 7.029 1.00 25.95 C ATOM 374 CD1 LEU A 40 22.782 -15.000 5.916 1.00 25.25 C ATOM 375 CD2 LEU A 40 22.012 -17.163 6.816 1.00 28.75 C ATOM 376 H LEU A 40 24.672 -15.885 9.754 1.00 0.00 H ATOM 377 N HIS A 41 27.104 -17.158 8.951 1.00 26.96 N ATOM 378 CA HIS A 41 28.544 -17.399 8.900 1.00 27.48 C ATOM 379 C HIS A 41 29.040 -17.366 7.459 1.00 29.34 C ATOM 380 O HIS A 41 29.696 -18.290 6.977 1.00 25.08 O ATOM 381 CB HIS A 41 28.901 -18.728 9.575 1.00 27.59 C ATOM 382 CG HIS A 41 28.347 -18.853 10.957 1.00 32.59 C ATOM 383 ND1 HIS A 41 28.893 -18.191 12.031 1.00 34.42 N ATOM 384 CD2 HIS A 41 27.268 -19.521 11.432 1.00 38.64 C ATOM 385 CE1 HIS A 41 28.195 -18.469 13.118 1.00 40.52 C ATOM 386 NE2 HIS A 41 27.199 -19.266 12.780 1.00 39.34 N ATOM 387 H HIS A 41 26.739 -16.445 9.614 1.00 0.00 H ATOM 388 N ILE A 42 28.688 -16.287 6.762 1.00 24.07 N ATOM 389 CA ILE A 42 29.007 -16.174 5.341 1.00 24.96 C ATOM 390 C ILE A 42 30.510 -16.296 5.118 1.00 27.45 C ATOM 391 O ILE A 42 30.961 -17.066 4.270 1.00 23.69 O ATOM 392 CB ILE A 42 28.458 -14.847 4.784 1.00 23.84 C ATOM 393 CG1 ILE A 42 26.937 -14.920 4.603 1.00 25.37 C ATOM 394 CG2 ILE A 42 29.206 -14.466 3.518 1.00 23.06 C ATOM 395 CD1 ILE A 42 26.504 -15.837 3.434 1.00 30.88 C ATOM 396 H ILE A 42 28.179 -15.514 7.236 1.00 0.00 H ATOM 397 N SER A 43 31.312 -15.568 5.908 1.00 26.25 N ATOM 398 CA SER A 43 32.755 -15.572 5.675 1.00 25.68 C ATOM 399 C SER A 43 33.348 -16.967 5.815 1.00 28.79 C ATOM 400 O SER A 43 34.178 -17.381 4.992 1.00 29.76 O ATOM 401 CB SER A 43 33.454 -14.597 6.630 1.00 27.87 C ATOM 402 OG SER A 43 32.988 -13.277 6.401 1.00 25.43 O ATOM 403 HG SER A 43 33.185 -13.016 5.466 1.00 0.00 H ATOM 404 H SER A 43 30.909 -15.003 6.683 1.00 0.00 H ATOM 405 N ASP A 44 32.933 -17.716 6.838 1.00 25.55 N ATOM 406 CA ASP A 44 33.485 -19.055 7.019 1.00 28.75 C ATOM 407 C ASP A 44 33.040 -19.995 5.907 1.00 27.17 C ATOM 408 O ASP A 44 33.806 -20.867 5.479 1.00 27.10 O ATOM 409 CB ASP A 44 33.077 -19.617 8.381 1.00 30.20 C ATOM 410 CG ASP A 44 33.672 -20.989 8.640 1.00 36.85 C ATOM 411 OD1 ASP A 44 34.886 -21.166 8.402 1.00 38.57 O ATOM 412 OD2 ASP A 44 32.925 -21.894 9.072 1.00 43.96 O ATOM 413 H ASP A 44 32.221 -17.349 7.502 1.00 0.00 H ATOM 414 N ASN A 45 31.803 -19.847 5.432 1.00 24.60 N ATOM 415 CA ASN A 45 31.323 -20.749 4.392 1.00 23.56 C ATOM 416 C ASN A 45 31.937 -20.433 3.040 1.00 34.54 C ATOM 417 O ASN A 45 32.170 -21.338 2.237 1.00 30.75 O ATOM 418 CB ASN A 45 29.807 -20.695 4.316 1.00 25.33 C ATOM 419 CG ASN A 45 29.172 -21.572 5.352 1.00 33.62 C ATOM 420 OD1 ASN A 45 29.170 -22.797 5.224 1.00 32.26 O ATOM 421 ND2 ASN A 45 28.636 -20.965 6.387 1.00 27.42 N ATOM 422 HD22 ASN A 45 28.662 -19.927 6.452 1.00 0.00 H ATOM 423 HD21 ASN A 45 28.186 -21.522 7.141 1.00 0.00 H ATOM 424 H ASN A 45 31.186 -19.095 5.800 1.00 0.00 H ATOM 425 N VAL A 46 32.180 -19.156 2.759 1.00 27.24 N ATOM 426 CA VAL A 46 32.904 -18.809 1.546 1.00 28.84 C ATOM 427 C VAL A 46 34.322 -19.372 1.610 1.00 29.46 C ATOM 428 O VAL A 46 34.819 -19.955 0.644 1.00 27.03 O ATOM 429 CB VAL A 46 32.896 -17.283 1.351 1.00 30.11 C ATOM 430 CG1 VAL A 46 33.880 -16.864 0.255 1.00 27.81 C ATOM 431 CG2 VAL A 46 31.471 -16.789 1.075 1.00 25.13 C ATOM 432 H VAL A 46 31.854 -18.408 3.404 1.00 0.00 H ATOM 433 N LYS A 47 34.991 -19.222 2.756 1.00 30.47 N ATOM 434 CA LYS A 47 36.362 -19.712 2.877 1.00 29.54 C ATOM 435 C LYS A 47 36.449 -21.201 2.574 1.00 31.36 C ATOM 436 O LYS A 47 37.381 -21.655 1.904 1.00 29.34 O ATOM 437 CB LYS A 47 36.899 -19.421 4.285 1.00 29.01 C ATOM 438 CG LYS A 47 38.340 -19.903 4.520 1.00 30.17 C ATOM 439 CD LYS A 47 38.818 -19.524 5.914 1.00 38.36 C ATOM 440 CE LYS A 47 40.272 -19.922 6.119 1.00 45.01 C ATOM 441 NZ LYS A 47 40.914 -19.065 7.159 1.00 57.21 N ATOM 442 HZ1 LYS A 47 40.877 -18.070 6.858 1.00 0.00 H ATOM 443 HZ2 LYS A 47 40.405 -19.175 8.059 1.00 0.00 H ATOM 444 HZ3 LYS A 47 41.905 -19.355 7.282 1.00 0.00 H ATOM 445 H LYS A 47 34.534 -18.755 3.565 1.00 0.00 H ATOM 446 N LYS A 48 35.478 -21.978 3.047 1.00 34.24 N ATOM 447 CA LYS A 48 35.538 -23.418 2.828 1.00 37.52 C ATOM 448 C LYS A 48 35.316 -23.794 1.373 1.00 35.36 C ATOM 449 O LYS A 48 35.691 -24.899 0.976 1.00 38.16 O ATOM 450 CB LYS A 48 34.519 -24.129 3.717 1.00 38.62 C ATOM 451 CG LYS A 48 34.841 -24.009 5.189 1.00 40.93 C ATOM 452 CD LYS A 48 33.849 -24.741 6.060 1.00 50.62 C ATOM 453 CE LYS A 48 34.314 -24.682 7.509 1.00 66.27 C ATOM 454 NZ LYS A 48 33.311 -25.207 8.469 1.00 72.08 N ATOM 455 HZ1 LYS A 48 32.437 -24.647 8.397 1.00 0.00 H ATOM 456 HZ2 LYS A 48 33.106 -26.202 8.245 1.00 0.00 H ATOM 457 HZ3 LYS A 48 33.689 -25.138 9.435 1.00 0.00 H ATOM 458 H LYS A 48 34.681 -21.561 3.570 1.00 0.00 H ATOM 459 N LYS A 49 34.724 -22.914 0.570 1.00 31.41 N ATOM 460 CA LYS A 49 34.536 -23.228 -0.843 1.00 31.02 C ATOM 461 C LYS A 49 35.694 -22.751 -1.721 1.00 29.99 C ATOM 462 O LYS A 49 35.750 -23.116 -2.900 1.00 35.72 O ATOM 463 CB LYS A 49 33.212 -22.625 -1.356 1.00 31.73 C ATOM 464 CG LYS A 49 31.939 -23.436 -1.013 1.00 29.16 C ATOM 465 CD LYS A 49 31.792 -24.651 -1.877 1.00 34.14 C ATOM 466 CE LYS A 49 30.627 -25.539 -1.442 1.00 35.26 C ATOM 467 NZ LYS A 49 29.318 -24.824 -1.480 1.00 36.39 N ATOM 468 HZ1 LYS A 49 29.353 -24.005 -0.840 1.00 0.00 H ATOM 469 HZ2 LYS A 49 29.129 -24.500 -2.450 1.00 0.00 H ATOM 470 HZ3 LYS A 49 28.562 -25.471 -1.176 1.00 0.00 H ATOM 471 H LYS A 49 34.395 -22.003 0.949 1.00 0.00 H ATOM 472 N LEU A 50 36.633 -21.958 -1.177 1.00 31.17 N ATOM 473 CA LEU A 50 37.794 -21.477 -1.928 1.00 34.23 C ATOM 474 C LEU A 50 39.030 -22.322 -1.636 1.00 39.49 C ATOM 475 O LEU A 50 39.100 -22.999 -0.607 1.00 39.89 O ATOM 476 CB LEU A 50 38.071 -20.017 -1.567 1.00 32.09 C ATOM 477 CG LEU A 50 36.907 -19.087 -1.889 1.00 35.98 C ATOM 478 CD1 LEU A 50 37.192 -17.683 -1.422 1.00 31.30 C ATOM 479 CD2 LEU A 50 36.650 -19.119 -3.386 1.00 39.85 C ATOM 480 H LEU A 50 36.531 -21.674 -0.182 1.00 0.00 H ATOM 481 N PRO A 51 40.049 -22.292 -2.501 1.00 41.39 N ATOM 482 CA PRO A 51 41.257 -23.085 -2.223 1.00 43.45 C ATOM 483 C PRO A 51 41.933 -22.645 -0.935 1.00 48.19 C ATOM 484 O PRO A 51 41.765 -21.518 -0.464 1.00 46.06 O ATOM 485 CB PRO A 51 42.155 -22.821 -3.439 1.00 43.56 C ATOM 486 CG PRO A 51 41.216 -22.400 -4.518 1.00 45.62 C ATOM 487 CD PRO A 51 40.129 -21.628 -3.815 1.00 41.37 C ATOM 488 N GLU A 52 42.699 -23.568 -0.355 1.00 50.82 N ATOM 489 CA GLU A 52 43.401 -23.272 0.887 1.00 53.24 C ATOM 490 C GLU A 52 44.354 -22.099 0.690 1.00 55.98 C ATOM 491 O GLU A 52 45.009 -21.973 -0.348 1.00 60.64 O ATOM 492 CB GLU A 52 44.172 -24.506 1.373 1.00 61.28 C ATOM 493 CG GLU A 52 44.043 -24.782 2.865 1.00 62.08 C ATOM 494 H GLU A 52 42.797 -24.507 -0.792 1.00 0.00 H ATOM 495 N GLY A 53 44.409 -21.224 1.689 1.00 53.17 N ATOM 496 CA GLY A 53 45.399 -20.170 1.725 1.00 57.19 C ATOM 497 C GLY A 53 45.057 -18.909 0.965 1.00 64.23 C ATOM 498 O GLY A 53 45.836 -17.949 1.022 1.00 68.28 O ATOM 499 H GLY A 53 43.722 -21.299 2.466 1.00 0.00 H ATOM 500 N VAL A 54 43.930 -18.873 0.250 1.00 61.87 N ATOM 501 CA VAL A 54 43.527 -17.646 -0.427 1.00 60.14 C ATOM 502 C VAL A 54 43.243 -16.573 0.613 1.00 51.09 C ATOM 503 O VAL A 54 42.737 -16.857 1.708 1.00 51.48 O ATOM 504 CB VAL A 54 42.299 -17.884 -1.321 1.00 53.05 C ATOM 505 CG1 VAL A 54 42.587 -18.978 -2.341 1.00 56.86 C ATOM 506 CG2 VAL A 54 41.101 -18.230 -0.467 1.00 42.47 C ATOM 507 H VAL A 54 43.337 -19.724 0.176 1.00 0.00 H ATOM 508 N LYS A 55 43.578 -15.333 0.285 1.00 49.97 N ATOM 509 CA LYS A 55 43.413 -14.237 1.226 1.00 50.17 C ATOM 510 C LYS A 55 41.991 -13.702 1.147 1.00 46.75 C ATOM 511 O LYS A 55 41.511 -13.350 0.066 1.00 33.77 O ATOM 512 CB LYS A 55 44.415 -13.115 0.951 1.00 48.25 C ATOM 513 CG LYS A 55 44.541 -12.122 2.107 1.00 48.51 C ATOM 514 CD LYS A 55 45.304 -10.886 1.683 1.00 55.98 C ATOM 515 H LYS A 55 43.965 -15.141 -0.661 1.00 0.00 H ATOM 516 N MET A 56 41.316 -13.671 2.288 1.00 35.84 N ATOM 517 CA MET A 56 40.047 -12.977 2.435 1.00 29.17 C ATOM 518 C MET A 56 40.280 -11.776 3.332 1.00 32.89 C ATOM 519 O MET A 56 40.953 -11.880 4.367 1.00 33.92 O ATOM 520 CB MET A 56 38.969 -13.891 3.017 1.00 32.41 C ATOM 521 CG MET A 56 38.651 -15.094 2.098 1.00 38.14 C ATOM 522 SD MET A 56 37.406 -16.211 2.775 1.00 39.41 S ATOM 523 CE MET A 56 35.990 -15.148 2.900 1.00 28.09 C ATOM 524 H MET A 56 41.712 -14.165 3.114 1.00 0.00 H ATOM 525 N THR A 57 39.755 -10.639 2.913 1.00 28.07 N ATOM 526 CA THR A 57 39.888 -9.391 3.646 1.00 26.86 C ATOM 527 C THR A 57 38.499 -8.900 4.024 1.00 22.05 C ATOM 528 O THR A 57 37.545 -9.069 3.268 1.00 26.56 O ATOM 529 CB THR A 57 40.620 -8.356 2.812 1.00 29.41 C ATOM 530 OG1 THR A 57 41.822 -8.941 2.296 1.00 33.14 O ATOM 531 CG2 THR A 57 40.998 -7.151 3.669 1.00 27.25 C ATOM 532 HG1 THR A 57 42.306 -8.271 1.750 1.00 0.00 H ATOM 533 H THR A 57 39.223 -10.636 2.019 1.00 0.00 H ATOM 534 N LYS A 58 38.391 -8.313 5.211 1.00 23.63 N ATOM 535 CA LYS A 58 37.127 -7.793 5.710 1.00 19.87 C ATOM 536 C LYS A 58 37.380 -6.450 6.367 1.00 24.56 C ATOM 537 O LYS A 58 38.175 -6.364 7.311 1.00 24.63 O ATOM 538 CB LYS A 58 36.495 -8.757 6.711 1.00 22.36 C ATOM 539 CG LYS A 58 35.218 -8.200 7.291 1.00 22.91 C ATOM 540 CD LYS A 58 34.549 -9.196 8.236 1.00 24.49 C ATOM 541 CE LYS A 58 33.934 -10.364 7.477 1.00 29.11 C ATOM 542 NZ LYS A 58 33.213 -11.273 8.427 1.00 25.71 N ATOM 543 HZ1 LYS A 58 33.884 -11.639 9.132 1.00 0.00 H ATOM 544 HZ2 LYS A 58 32.459 -10.742 8.908 1.00 0.00 H ATOM 545 HZ3 LYS A 58 32.798 -12.066 7.898 1.00 0.00 H ATOM 546 H LYS A 58 39.240 -8.222 5.805 1.00 0.00 H ATOM 547 N TYR A 59 36.705 -5.414 5.867 1.00 22.31 N ATOM 548 CA TYR A 59 36.909 -4.057 6.337 1.00 19.57 C ATOM 549 C TYR A 59 35.606 -3.469 6.865 1.00 22.24 C ATOM 550 O TYR A 59 34.517 -3.795 6.380 1.00 22.10 O ATOM 551 CB TYR A 59 37.429 -3.172 5.213 1.00 16.50 C ATOM 552 CG TYR A 59 38.856 -3.377 4.826 1.00 22.93 C ATOM 553 CD1 TYR A 59 39.776 -3.959 5.695 1.00 23.67 C ATOM 554 CD2 TYR A 59 39.309 -2.956 3.573 1.00 23.56 C ATOM 555 CE1 TYR A 59 41.121 -4.115 5.299 1.00 23.13 C ATOM 556 CE2 TYR A 59 40.637 -3.097 3.193 1.00 22.91 C ATOM 557 CZ TYR A 59 41.524 -3.685 4.047 1.00 31.68 C ATOM 558 OH TYR A 59 42.846 -3.819 3.658 1.00 30.81 O ATOM 559 HH TYR A 59 43.358 -4.261 4.381 1.00 0.00 H ATOM 560 H TYR A 59 36.008 -5.585 5.114 1.00 0.00 H ATOM 561 N HIS A 60 35.730 -2.580 7.855 1.00 18.47 N ATOM 562 CA HIS A 60 34.594 -1.823 8.370 1.00 19.32 C ATOM 563 C HIS A 60 34.395 -0.534 7.553 1.00 20.70 C ATOM 564 O HIS A 60 35.298 -0.077 6.856 1.00 23.12 O ATOM 565 CB HIS A 60 34.826 -1.511 9.864 1.00 17.51 C ATOM 566 CG HIS A 60 33.582 -1.124 10.611 1.00 18.38 C ATOM 567 ND1 HIS A 60 33.221 0.192 10.830 1.00 19.60 N ATOM 568 CD2 HIS A 60 32.613 -1.883 11.192 1.00 22.08 C ATOM 569 CE1 HIS A 60 32.074 0.228 11.496 1.00 21.94 C ATOM 570 NE2 HIS A 60 31.686 -1.015 11.733 1.00 21.48 N ATOM 571 H HIS A 60 36.669 -2.422 8.273 1.00 0.00 H ATOM 572 N VAL A 61 33.182 0.041 7.626 1.00 16.69 N ATOM 573 CA VAL A 61 32.838 1.250 6.883 1.00 21.28 C ATOM 574 C VAL A 61 32.345 2.337 7.830 1.00 20.57 C ATOM 575 O VAL A 61 31.838 2.071 8.921 1.00 22.68 O ATOM 576 CB VAL A 61 31.765 1.013 5.791 1.00 21.93 C ATOM 577 CG1 VAL A 61 32.241 -0.033 4.800 1.00 22.44 C ATOM 578 CG2 VAL A 61 30.424 0.600 6.427 1.00 19.77 C ATOM 579 H VAL A 61 32.460 -0.393 8.236 1.00 0.00 H ATOM 580 N ASN A 62 32.478 3.587 7.378 1.00 21.37 N ATOM 581 CA ASN A 62 32.094 4.725 8.207 1.00 21.93 C ATOM 582 C ASN A 62 30.634 5.131 8.062 1.00 25.41 C ATOM 583 O ASN A 62 30.110 5.802 8.959 1.00 26.82 O ATOM 584 CB ASN A 62 32.941 5.962 7.867 1.00 18.40 C ATOM 585 CG ASN A 62 34.378 5.802 8.271 1.00 25.26 C ATOM 586 OD1 ASN A 62 34.708 5.009 9.159 1.00 25.41 O ATOM 587 ND2 ASN A 62 35.248 6.553 7.622 1.00 20.71 N ATOM 588 HD22 ASN A 62 34.921 7.206 6.882 1.00 0.00 H ATOM 589 HD21 ASN A 62 36.261 6.492 7.851 1.00 0.00 H ATOM 590 H ASN A 62 32.860 3.751 6.425 1.00 0.00 H ATOM 591 N PHE A 63 29.971 4.786 6.952 1.00 25.90 N ATOM 592 CA PHE A 63 28.787 5.566 6.608 1.00 25.90 C ATOM 593 C PHE A 63 27.542 5.209 7.421 1.00 29.29 C ATOM 594 O PHE A 63 26.495 5.833 7.207 1.00 32.40 O ATOM 595 CB PHE A 63 28.479 5.479 5.102 1.00 26.55 C ATOM 596 CG PHE A 63 28.270 4.082 4.581 1.00 28.94 C ATOM 597 CD1 PHE A 63 27.046 3.454 4.714 1.00 32.47 C ATOM 598 CD2 PHE A 63 29.285 3.424 3.897 1.00 35.25 C ATOM 599 CE1 PHE A 63 26.842 2.182 4.195 1.00 32.45 C ATOM 600 CE2 PHE A 63 29.087 2.158 3.385 1.00 30.81 C ATOM 601 CZ PHE A 63 27.862 1.544 3.531 1.00 29.84 C ATOM 602 H PHE A 63 30.287 3.993 6.358 1.00 0.00 H ATOM 603 N MET A 64 27.616 4.273 8.368 1.00 22.92 N ATOM 604 CA MET A 64 26.487 4.006 9.257 1.00 22.44 C ATOM 605 C MET A 64 26.888 4.390 10.673 1.00 25.46 C ATOM 606 O MET A 64 27.992 4.066 11.116 1.00 24.96 O ATOM 607 CB MET A 64 26.068 2.529 9.202 1.00 20.42 C ATOM 608 CG MET A 64 25.595 2.063 7.840 1.00 30.69 C ATOM 609 SD MET A 64 24.891 0.405 7.947 1.00 32.57 S ATOM 610 CE MET A 64 23.370 0.748 8.836 1.00 33.53 C ATOM 611 H MET A 64 28.492 3.723 8.476 1.00 0.00 H ATOM 612 N GLY A 65 26.007 5.084 11.377 1.00 26.57 N ATOM 613 CA GLY A 65 26.224 5.330 12.782 1.00 26.81 C ATOM 614 C GLY A 65 27.016 6.565 13.153 1.00 23.74 C ATOM 615 O GLY A 65 27.403 6.691 14.321 1.00 29.10 O ATOM 616 H GLY A 65 25.153 5.454 10.914 1.00 0.00 H ATOM 617 N GLY A 66 27.260 7.488 12.220 1.00 26.28 N ATOM 618 CA GLY A 66 27.810 8.781 12.623 1.00 32.10 C ATOM 619 C GLY A 66 29.165 8.671 13.305 1.00 33.29 C ATOM 620 O GLY A 66 30.059 7.964 12.828 1.00 26.20 O ATOM 621 H GLY A 66 27.061 7.290 11.219 1.00 0.00 H ATOM 622 N ASP A 67 29.327 9.412 14.417 1.00 28.00 N ATOM 623 CA ASP A 67 30.583 9.431 15.174 1.00 31.50 C ATOM 624 C ASP A 67 31.000 8.027 15.574 1.00 28.25 C ATOM 625 O ASP A 67 32.165 7.638 15.427 1.00 26.30 O ATOM 626 CB ASP A 67 30.421 10.278 16.442 1.00 31.62 C ATOM 627 CG ASP A 67 31.006 11.673 16.316 1.00 42.78 C ATOM 628 OD1 ASP A 67 32.065 11.857 15.681 1.00 36.28 O ATOM 629 OD2 ASP A 67 30.379 12.601 16.872 1.00 52.57 O ATOM 630 H ASP A 67 28.532 9.993 14.752 1.00 0.00 H ATOM 631 N LEU A 68 30.060 7.261 16.115 1.00 23.46 N ATOM 632 CA LEU A 68 30.412 5.937 16.605 1.00 22.55 C ATOM 633 C LEU A 68 30.767 5.014 15.453 1.00 22.48 C ATOM 634 O LEU A 68 31.606 4.121 15.614 1.00 24.11 O ATOM 635 CB LEU A 68 29.259 5.367 17.432 1.00 28.64 C ATOM 636 CG LEU A 68 29.567 4.331 18.502 1.00 40.60 C ATOM 637 CD1 LEU A 68 30.639 4.818 19.475 1.00 26.39 C ATOM 638 CD2 LEU A 68 28.271 3.980 19.231 1.00 36.78 C ATOM 639 H LEU A 68 29.081 7.604 16.188 1.00 0.00 H ATOM 640 N GLY A 69 30.162 5.230 14.277 1.00 23.87 N ATOM 641 CA GLY A 69 30.535 4.441 13.111 1.00 24.08 C ATOM 642 C GLY A 69 31.995 4.610 12.734 1.00 23.31 C ATOM 643 O GLY A 69 32.667 3.639 12.375 1.00 25.23 O ATOM 644 H GLY A 69 29.426 5.961 14.197 1.00 0.00 H ATOM 645 N LYS A 70 32.513 5.841 12.829 1.00 23.60 N ATOM 646 CA LYS A 70 33.949 6.050 12.621 1.00 28.66 C ATOM 647 C LYS A 70 34.788 5.471 13.753 1.00 25.10 C ATOM 648 O LYS A 70 35.890 4.954 13.503 1.00 24.16 O ATOM 649 CB LYS A 70 34.258 7.538 12.436 1.00 35.68 C ATOM 650 CG LYS A 70 33.842 8.063 11.098 1.00 30.46 C ATOM 651 CD LYS A 70 34.612 9.305 10.674 1.00 25.75 C ATOM 652 CE LYS A 70 36.064 9.011 10.405 1.00 44.44 C ATOM 653 NZ LYS A 70 36.627 10.108 9.620 1.00 47.30 N ATOM 654 HZ1 LYS A 70 36.110 10.190 8.721 1.00 0.00 H ATOM 655 HZ2 LYS A 70 36.539 10.996 10.154 1.00 0.00 H ATOM 656 HZ3 LYS A 70 37.631 9.916 9.428 1.00 0.00 H ATOM 657 H LYS A 70 31.897 6.649 13.050 1.00 0.00 H ATOM 658 N ASP A 71 34.320 5.575 15.013 1.00 20.92 N ATOM 659 CA ASP A 71 35.060 4.932 16.099 1.00 23.75 C ATOM 660 C ASP A 71 35.155 3.430 15.866 1.00 25.50 C ATOM 661 O ASP A 71 36.175 2.809 16.176 1.00 20.57 O ATOM 662 CB ASP A 71 34.398 5.202 17.457 1.00 20.69 C ATOM 663 CG ASP A 71 34.713 6.583 17.998 1.00 27.64 C ATOM 664 OD1 ASP A 71 35.856 7.055 17.826 1.00 24.45 O ATOM 665 OD2 ASP A 71 33.793 7.201 18.570 1.00 31.19 O ATOM 666 H ASP A 71 33.447 6.104 15.210 1.00 0.00 H ATOM 667 N LEU A 72 34.091 2.824 15.336 1.00 18.31 N ATOM 668 CA LEU A 72 34.123 1.383 15.088 1.00 17.57 C ATOM 669 C LEU A 72 35.069 1.013 13.954 1.00 22.52 C ATOM 670 O LEU A 72 35.693 -0.050 14.000 1.00 19.86 O ATOM 671 CB LEU A 72 32.705 0.869 14.821 1.00 19.25 C ATOM 672 CG LEU A 72 31.853 0.817 16.110 1.00 20.92 C ATOM 673 CD1 LEU A 72 30.357 0.733 15.741 1.00 19.79 C ATOM 674 CD2 LEU A 72 32.249 -0.378 17.010 1.00 20.68 C ATOM 675 H LEU A 72 33.241 3.375 15.100 1.00 0.00 H ATOM 676 N THR A 73 35.236 1.882 12.956 1.00 21.48 N ATOM 677 CA THR A 73 36.234 1.612 11.925 1.00 18.70 C ATOM 678 C THR A 73 37.637 1.667 12.507 1.00 22.91 C ATOM 679 O THR A 73 38.495 0.839 12.173 1.00 22.08 O ATOM 680 CB THR A 73 36.088 2.613 10.765 1.00 21.77 C ATOM 681 OG1 THR A 73 34.785 2.479 10.172 1.00 21.43 O ATOM 682 CG2 THR A 73 37.166 2.383 9.694 1.00 23.42 C ATOM 683 HG1 THR A 73 34.695 3.124 9.427 1.00 0.00 H ATOM 684 H THR A 73 34.659 2.746 12.912 1.00 0.00 H ATOM 685 N GLN A 74 37.886 2.630 13.389 1.00 19.66 N ATOM 686 CA GLN A 74 39.168 2.668 14.079 1.00 19.62 C ATOM 687 C GLN A 74 39.347 1.468 15.011 1.00 22.69 C ATOM 688 O GLN A 74 40.451 0.930 15.117 1.00 21.20 O ATOM 689 CB GLN A 74 39.294 3.985 14.852 1.00 20.41 C ATOM 690 CG GLN A 74 40.685 4.217 15.445 1.00 21.33 C ATOM 691 CD GLN A 74 40.935 5.679 15.798 1.00 27.71 C ATOM 692 OE1 GLN A 74 40.171 6.568 15.412 1.00 24.64 O ATOM 693 NE2 GLN A 74 42.006 5.931 16.531 1.00 26.35 N ATOM 694 HE22 GLN A 74 42.623 5.151 16.835 1.00 0.00 H ATOM 695 HE21 GLN A 74 42.231 6.909 16.804 1.00 0.00 H ATOM 696 H GLN A 74 37.167 3.355 13.586 1.00 0.00 H ATOM 697 N ALA A 75 38.294 1.047 15.722 1.00 20.19 N ATOM 698 CA ALA A 75 38.417 -0.142 16.571 1.00 18.26 C ATOM 699 C ALA A 75 38.660 -1.398 15.729 1.00 21.38 C ATOM 700 O ALA A 75 39.393 -2.306 16.144 1.00 19.58 O ATOM 701 CB ALA A 75 37.143 -0.321 17.410 1.00 19.78 C ATOM 702 H ALA A 75 37.392 1.562 15.672 1.00 0.00 H ATOM 703 N TRP A 76 38.037 -1.479 14.559 1.00 19.18 N ATOM 704 CA TRP A 76 38.299 -2.618 13.679 1.00 21.51 C ATOM 705 C TRP A 76 39.743 -2.601 13.178 1.00 23.49 C ATOM 706 O TRP A 76 40.349 -3.665 13.019 1.00 22.10 O ATOM 707 CB TRP A 76 37.314 -2.634 12.509 1.00 21.93 C ATOM 708 CG TRP A 76 37.370 -3.938 11.710 1.00 21.74 C ATOM 709 CD1 TRP A 76 37.790 -4.093 10.428 1.00 19.61 C ATOM 710 CD2 TRP A 76 37.017 -5.256 12.179 1.00 18.56 C ATOM 711 NE1 TRP A 76 37.715 -5.427 10.058 1.00 18.98 N ATOM 712 CE2 TRP A 76 37.242 -6.153 11.118 1.00 21.57 C ATOM 713 CE3 TRP A 76 36.534 -5.757 13.397 1.00 21.91 C ATOM 714 CZ2 TRP A 76 37.001 -7.523 11.232 1.00 21.02 C ATOM 715 CZ3 TRP A 76 36.285 -7.118 13.507 1.00 23.49 C ATOM 716 CH2 TRP A 76 36.502 -7.982 12.423 1.00 21.36 C ATOM 717 HE1 TRP A 76 37.975 -5.813 9.128 1.00 0.00 H ATOM 718 H TRP A 76 37.367 -0.738 14.270 1.00 0.00 H ATOM 719 N ALA A 77 40.299 -1.409 12.925 1.00 21.40 N ATOM 720 CA ALA A 77 41.731 -1.293 12.645 1.00 20.14 C ATOM 721 C ALA A 77 42.575 -1.822 13.803 1.00 25.30 C ATOM 722 O ALA A 77 43.577 -2.512 13.578 1.00 25.74 O ATOM 723 CB ALA A 77 42.089 0.169 12.332 1.00 19.48 C ATOM 724 H ALA A 77 39.706 -0.555 12.928 1.00 0.00 H ATOM 725 N VAL A 78 42.210 -1.487 15.050 1.00 20.82 N ATOM 726 CA VAL A 78 42.897 -2.064 16.203 1.00 22.13 C ATOM 727 C VAL A 78 42.782 -3.574 16.188 1.00 22.51 C ATOM 728 O VAL A 78 43.765 -4.287 16.443 1.00 23.57 O ATOM 729 CB VAL A 78 42.346 -1.477 17.524 1.00 22.43 C ATOM 730 CG1 VAL A 78 42.928 -2.238 18.737 1.00 19.84 C ATOM 731 CG2 VAL A 78 42.678 0.016 17.625 1.00 24.21 C ATOM 732 H VAL A 78 41.433 -0.812 15.197 1.00 0.00 H ATOM 733 N ALA A 79 41.567 -4.090 15.931 1.00 23.12 N ATOM 734 CA ALA A 79 41.375 -5.535 15.945 1.00 21.50 C ATOM 735 C ALA A 79 42.260 -6.208 14.904 1.00 22.66 C ATOM 736 O ALA A 79 42.875 -7.248 15.179 1.00 25.78 O ATOM 737 CB ALA A 79 39.901 -5.879 15.724 1.00 22.34 C ATOM 738 H ALA A 79 40.766 -3.460 15.723 1.00 0.00 H ATOM 739 N MET A 80 42.351 -5.621 13.705 1.00 22.48 N ATOM 740 CA MET A 80 43.217 -6.188 12.674 1.00 22.84 C ATOM 741 C MET A 80 44.688 -6.077 13.060 1.00 26.14 C ATOM 742 O MET A 80 45.465 -7.016 12.848 1.00 27.68 O ATOM 743 CB MET A 80 42.964 -5.502 11.329 1.00 24.04 C ATOM 744 CG MET A 80 41.613 -5.843 10.698 1.00 21.73 C ATOM 745 SD MET A 80 41.412 -5.179 9.009 1.00 25.11 S ATOM 746 CE MET A 80 41.380 -3.421 9.384 1.00 24.20 C ATOM 747 H MET A 80 41.804 -4.759 13.507 1.00 0.00 H ATOM 748 N ALA A 81 45.094 -4.942 13.627 1.00 25.62 N ATOM 749 CA ALA A 81 46.504 -4.782 13.997 1.00 27.67 C ATOM 750 C ALA A 81 46.920 -5.803 15.054 1.00 29.97 C ATOM 751 O ALA A 81 48.018 -6.375 14.982 1.00 30.64 O ATOM 752 CB ALA A 81 46.756 -3.350 14.488 1.00 25.99 C ATOM 753 H ALA A 81 44.416 -4.174 13.806 1.00 0.00 H ATOM 754 N LEU A 82 46.061 -6.041 16.046 1.00 29.93 N ATOM 755 CA LEU A 82 46.372 -6.949 17.141 1.00 27.74 C ATOM 756 C LEU A 82 46.044 -8.397 16.827 1.00 26.81 C ATOM 757 O LEU A 82 46.413 -9.281 17.609 1.00 28.61 O ATOM 758 CB LEU A 82 45.616 -6.547 18.407 1.00 22.99 C ATOM 759 CG LEU A 82 45.908 -5.141 18.934 1.00 26.46 C ATOM 760 CD1 LEU A 82 45.089 -4.902 20.186 1.00 29.20 C ATOM 761 CD2 LEU A 82 47.400 -4.985 19.243 1.00 33.61 C ATOM 762 H LEU A 82 45.138 -5.562 16.037 1.00 0.00 H ATOM 763 N GLY A 83 45.369 -8.659 15.711 1.00 22.53 N ATOM 764 CA GLY A 83 44.931 -9.998 15.360 1.00 27.84 C ATOM 765 C GLY A 83 43.852 -10.561 16.261 1.00 31.63 C ATOM 766 O GLY A 83 43.874 -11.759 16.564 1.00 32.19 O ATOM 767 H GLY A 83 45.147 -7.875 15.065 1.00 0.00 H ATOM 768 N VAL A 84 42.902 -9.734 16.705 1.00 27.91 N ATOM 769 CA VAL A 84 41.909 -10.228 17.661 1.00 24.95 C ATOM 770 C VAL A 84 40.494 -10.113 17.087 1.00 27.71 C ATOM 771 O VAL A 84 39.518 -10.054 17.845 1.00 25.05 O ATOM 772 CB VAL A 84 42.009 -9.488 19.007 1.00 24.27 C ATOM 773 CG1 VAL A 84 43.335 -9.806 19.723 1.00 24.67 C ATOM 774 CG2 VAL A 84 41.868 -7.977 18.795 1.00 20.86 C ATOM 775 H VAL A 84 42.868 -8.748 16.375 1.00 0.00 H ATOM 776 N GLU A 85 40.366 -10.115 15.754 1.00 25.42 N ATOM 777 CA GLU A 85 39.045 -10.015 15.134 1.00 23.96 C ATOM 778 C GLU A 85 38.084 -11.072 15.667 1.00 27.64 C ATOM 779 O GLU A 85 36.931 -10.773 16.002 1.00 24.88 O ATOM 780 CB GLU A 85 39.160 -10.160 13.618 1.00 26.11 C ATOM 781 CG GLU A 85 40.037 -9.104 12.974 1.00 27.77 C ATOM 782 CD GLU A 85 41.434 -9.603 12.694 1.00 32.54 C ATOM 783 OE1 GLU A 85 42.037 -10.284 13.570 1.00 26.37 O ATOM 784 OE2 GLU A 85 41.922 -9.333 11.588 1.00 27.66 O ATOM 785 H GLU A 85 41.213 -10.188 15.155 1.00 0.00 H ATOM 786 N ASP A 86 38.543 -12.323 15.756 1.00 23.87 N ATOM 787 CA ASP A 86 37.633 -13.378 16.190 1.00 25.30 C ATOM 788 C ASP A 86 37.219 -13.218 17.645 1.00 29.60 C ATOM 789 O ASP A 86 36.194 -13.764 18.046 1.00 33.32 O ATOM 790 CB ASP A 86 38.269 -14.751 15.986 1.00 28.37 C ATOM 791 CG ASP A 86 38.488 -15.076 14.517 1.00 41.05 C ATOM 792 OD1 ASP A 86 38.025 -14.295 13.650 1.00 41.16 O ATOM 793 OD2 ASP A 86 39.132 -16.101 14.234 1.00 44.93 O ATOM 794 H ASP A 86 39.532 -12.542 15.520 1.00 0.00 H ATOM 795 N LYS A 87 37.980 -12.474 18.441 1.00 22.36 N ATOM 796 CA LYS A 87 37.608 -12.287 19.835 1.00 24.51 C ATOM 797 C LYS A 87 36.580 -11.181 20.020 1.00 24.76 C ATOM 798 O LYS A 87 35.821 -11.212 20.996 1.00 28.48 O ATOM 799 CB LYS A 87 38.851 -11.978 20.667 1.00 26.00 C ATOM 800 CG LYS A 87 39.789 -13.171 20.779 1.00 34.06 C ATOM 801 CD LYS A 87 41.030 -12.816 21.566 1.00 34.40 C ATOM 802 CE LYS A 87 41.917 -14.041 21.744 1.00 42.05 C ATOM 803 NZ LYS A 87 43.159 -13.681 22.486 1.00 44.80 N ATOM 804 HZ1 LYS A 87 43.683 -12.958 21.953 1.00 0.00 H ATOM 805 HZ2 LYS A 87 42.906 -13.307 23.423 1.00 0.00 H ATOM 806 HZ3 LYS A 87 43.752 -14.528 22.598 1.00 0.00 H ATOM 807 H LYS A 87 38.841 -12.026 18.068 1.00 0.00 H ATOM 808 N VAL A 88 36.534 -10.193 19.125 1.00 24.24 N ATOM 809 CA VAL A 88 35.703 -9.017 19.370 1.00 24.23 C ATOM 810 C VAL A 88 34.523 -8.883 18.410 1.00 24.70 C ATOM 811 O VAL A 88 33.627 -8.074 18.687 1.00 23.85 O ATOM 812 CB VAL A 88 36.540 -7.721 19.361 1.00 25.78 C ATOM 813 CG1 VAL A 88 37.619 -7.777 20.448 1.00 24.83 C ATOM 814 CG2 VAL A 88 37.143 -7.481 17.966 1.00 23.26 C ATOM 815 H VAL A 88 37.092 -10.260 18.250 1.00 0.00 H ATOM 816 N THR A 89 34.476 -9.647 17.310 1.00 21.28 N ATOM 817 CA THR A 89 33.404 -9.456 16.333 1.00 17.99 C ATOM 818 C THR A 89 32.022 -9.663 16.952 1.00 20.47 C ATOM 819 O THR A 89 31.137 -8.809 16.826 1.00 21.01 O ATOM 820 CB THR A 89 33.589 -10.397 15.141 1.00 25.89 C ATOM 821 OG1 THR A 89 34.795 -10.049 14.445 1.00 28.13 O ATOM 822 CG2 THR A 89 32.430 -10.227 14.182 1.00 25.55 C ATOM 823 HG1 THR A 89 35.566 -10.136 15.060 1.00 0.00 H ATOM 824 H THR A 89 35.201 -10.375 17.151 1.00 0.00 H ATOM 825 N VAL A 90 31.810 -10.803 17.613 1.00 19.07 N ATOM 826 CA VAL A 90 30.499 -11.081 18.211 1.00 18.83 C ATOM 827 C VAL A 90 30.149 -10.090 19.315 1.00 21.64 C ATOM 828 O VAL A 90 29.046 -9.525 19.278 1.00 20.48 O ATOM 829 CB VAL A 90 30.434 -12.543 18.681 1.00 21.81 C ATOM 830 CG1 VAL A 90 29.146 -12.781 19.493 1.00 28.12 C ATOM 831 CG2 VAL A 90 30.485 -13.468 17.467 1.00 26.36 C ATOM 832 H VAL A 90 32.578 -11.498 17.705 1.00 0.00 H ATOM 833 N PRO A 91 31.005 -9.844 20.319 1.00 23.76 N ATOM 834 CA PRO A 91 30.655 -8.845 21.347 1.00 25.68 C ATOM 835 C PRO A 91 30.401 -7.455 20.784 1.00 21.86 C ATOM 836 O PRO A 91 29.600 -6.706 21.360 1.00 22.48 O ATOM 837 CB PRO A 91 31.888 -8.843 22.268 1.00 27.71 C ATOM 838 CG PRO A 91 32.516 -10.156 22.066 1.00 37.55 C ATOM 839 CD PRO A 91 32.298 -10.492 20.622 1.00 25.68 C ATOM 840 N LEU A 92 31.075 -7.068 19.689 1.00 22.14 N ATOM 841 CA LEU A 92 30.809 -5.745 19.132 1.00 21.11 C ATOM 842 C LEU A 92 29.454 -5.722 18.424 1.00 20.09 C ATOM 843 O LEU A 92 28.670 -4.784 18.600 1.00 20.84 O ATOM 844 CB LEU A 92 31.932 -5.333 18.173 1.00 22.41 C ATOM 845 CG LEU A 92 33.267 -4.910 18.808 1.00 22.22 C ATOM 846 CD1 LEU A 92 34.364 -4.745 17.729 1.00 18.02 C ATOM 847 CD2 LEU A 92 33.108 -3.639 19.645 1.00 20.01 C ATOM 848 H LEU A 92 31.773 -7.699 19.246 1.00 0.00 H ATOM 849 N PHE A 93 29.156 -6.746 17.619 1.00 20.48 N ATOM 850 CA PHE A 93 27.823 -6.845 17.015 1.00 20.53 C ATOM 851 C PHE A 93 26.734 -6.845 18.080 1.00 23.42 C ATOM 852 O PHE A 93 25.730 -6.130 17.966 1.00 19.96 O ATOM 853 CB PHE A 93 27.720 -8.117 16.176 1.00 19.62 C ATOM 854 CG PHE A 93 28.012 -7.910 14.718 1.00 20.58 C ATOM 855 CD1 PHE A 93 27.251 -7.041 13.959 1.00 19.86 C ATOM 856 CD2 PHE A 93 29.041 -8.609 14.104 1.00 19.36 C ATOM 857 CE1 PHE A 93 27.533 -6.854 12.595 1.00 22.76 C ATOM 858 CE2 PHE A 93 29.315 -8.450 12.762 1.00 25.81 C ATOM 859 CZ PHE A 93 28.545 -7.580 12.000 1.00 18.77 C ATOM 860 H PHE A 93 29.871 -7.475 17.420 1.00 0.00 H ATOM 861 N GLU A 94 26.898 -7.659 19.126 1.00 18.81 N ATOM 862 CA GLU A 94 25.838 -7.717 20.133 1.00 21.47 C ATOM 863 C GLU A 94 25.775 -6.426 20.943 1.00 21.74 C ATOM 864 O GLU A 94 24.682 -5.957 21.271 1.00 22.36 O ATOM 865 CB GLU A 94 26.031 -8.943 21.027 1.00 20.95 C ATOM 866 CG GLU A 94 26.011 -10.196 20.141 1.00 28.39 C ATOM 867 CD GLU A 94 25.840 -11.489 20.897 1.00 36.36 C ATOM 868 OE1 GLU A 94 25.983 -11.484 22.132 1.00 33.12 O ATOM 869 OE2 GLU A 94 25.587 -12.518 20.234 1.00 29.67 O ATOM 870 H GLU A 94 27.757 -8.237 19.222 1.00 0.00 H ATOM 871 N GLY A 95 26.926 -5.810 21.231 1.00 20.04 N ATOM 872 CA GLY A 95 26.906 -4.554 21.972 1.00 22.48 C ATOM 873 C GLY A 95 26.200 -3.442 21.217 1.00 22.72 C ATOM 874 O GLY A 95 25.499 -2.625 21.816 1.00 23.50 O ATOM 875 H GLY A 95 27.831 -6.224 20.928 1.00 0.00 H ATOM 876 N VAL A 96 26.366 -3.399 19.885 1.00 18.56 N ATOM 877 CA VAL A 96 25.688 -2.374 19.104 1.00 19.84 C ATOM 878 C VAL A 96 24.218 -2.723 18.881 1.00 21.16 C ATOM 879 O VAL A 96 23.336 -1.878 19.069 1.00 21.49 O ATOM 880 CB VAL A 96 26.425 -2.157 17.776 1.00 26.02 C ATOM 881 CG1 VAL A 96 25.652 -1.203 16.910 1.00 18.84 C ATOM 882 CG2 VAL A 96 27.829 -1.618 18.055 1.00 21.00 C ATOM 883 H VAL A 96 26.977 -4.096 19.413 1.00 0.00 H ATOM 884 N GLN A 97 23.918 -3.955 18.458 1.00 20.75 N ATOM 885 CA GLN A 97 22.571 -4.260 17.975 1.00 20.19 C ATOM 886 C GLN A 97 21.710 -5.039 18.949 1.00 22.68 C ATOM 887 O GLN A 97 20.477 -4.921 18.882 1.00 26.50 O ATOM 888 CB GLN A 97 22.628 -5.042 16.646 1.00 20.44 C ATOM 889 CG GLN A 97 23.267 -4.227 15.511 1.00 20.85 C ATOM 890 CD GLN A 97 23.146 -4.891 14.152 1.00 22.69 C ATOM 891 OE1 GLN A 97 22.116 -5.480 13.822 1.00 23.24 O ATOM 892 NE2 GLN A 97 24.202 -4.795 13.362 1.00 22.55 N ATOM 893 HE22 GLN A 97 25.049 -4.287 13.686 1.00 0.00 H ATOM 894 HE21 GLN A 97 24.185 -5.228 12.416 1.00 0.00 H ATOM 895 H GLN A 97 24.644 -4.699 18.472 1.00 0.00 H ATOM 896 N LYS A 98 22.284 -5.863 19.821 1.00 20.64 N ATOM 897 CA LYS A 98 21.418 -6.690 20.675 1.00 21.44 C ATOM 898 C LYS A 98 21.177 -6.039 22.038 1.00 24.22 C ATOM 899 O LYS A 98 20.028 -5.756 22.400 1.00 25.38 O ATOM 900 CB LYS A 98 22.005 -8.093 20.842 1.00 21.34 C ATOM 901 CG LYS A 98 21.104 -9.012 21.674 1.00 22.34 C ATOM 902 CD LYS A 98 21.674 -10.413 21.778 1.00 37.41 C ATOM 903 CE LYS A 98 20.774 -11.313 22.631 1.00 39.67 C ATOM 904 NZ LYS A 98 21.372 -12.671 22.773 1.00 47.44 N ATOM 905 HZ1 LYS A 98 21.483 -13.100 21.832 1.00 0.00 H ATOM 906 HZ2 LYS A 98 22.302 -12.593 23.231 1.00 0.00 H ATOM 907 HZ3 LYS A 98 20.747 -13.265 23.354 1.00 0.00 H ATOM 908 H LYS A 98 23.320 -5.921 19.897 1.00 0.00 H ATOM 909 N THR A 99 22.251 -5.782 22.790 1.00 22.25 N ATOM 910 CA THR A 99 22.134 -5.151 24.101 1.00 24.03 C ATOM 911 C THR A 99 22.154 -3.634 24.042 1.00 25.73 C ATOM 912 O THR A 99 21.692 -2.992 24.996 1.00 27.76 O ATOM 913 CB THR A 99 23.246 -5.620 25.047 1.00 28.14 C ATOM 914 OG1 THR A 99 24.514 -5.269 24.491 1.00 25.34 O ATOM 915 CG2 THR A 99 23.184 -7.129 25.249 1.00 27.98 C ATOM 916 HG1 THR A 99 25.235 -5.570 25.099 1.00 0.00 H ATOM 917 H THR A 99 23.194 -6.038 22.433 1.00 0.00 H ATOM 918 N GLN A 100 22.649 -3.050 22.947 1.00 25.97 N ATOM 919 CA GLN A 100 22.735 -1.591 22.821 1.00 24.95 C ATOM 920 C GLN A 100 23.464 -0.998 24.020 1.00 26.64 C ATOM 921 O GLN A 100 23.065 0.020 24.595 1.00 32.09 O ATOM 922 CB GLN A 100 21.362 -0.956 22.623 1.00 28.23 C ATOM 923 CG GLN A 100 20.754 -1.407 21.308 1.00 23.10 C ATOM 924 CD GLN A 100 19.525 -0.628 20.897 1.00 29.99 C ATOM 925 OE1 GLN A 100 19.013 0.204 21.649 1.00 43.73 O ATOM 926 NE2 GLN A 100 19.032 -0.916 19.709 1.00 32.90 N ATOM 927 HE22 GLN A 100 19.500 -1.626 19.110 1.00 0.00 H ATOM 928 HE21 GLN A 100 18.175 -0.433 19.371 1.00 0.00 H ATOM 929 H GLN A 100 22.982 -3.646 22.163 1.00 0.00 H ATOM 930 N THR A 101 24.557 -1.647 24.392 1.00 23.29 N ATOM 931 CA THR A 101 25.416 -1.173 25.455 1.00 25.69 C ATOM 932 C THR A 101 26.627 -0.418 24.925 1.00 27.93 C ATOM 933 O THR A 101 27.417 0.092 25.718 1.00 28.50 O ATOM 934 CB THR A 101 25.874 -2.350 26.323 1.00 31.27 C ATOM 935 OG1 THR A 101 26.271 -3.440 25.472 1.00 27.81 O ATOM 936 CG2 THR A 101 24.755 -2.803 27.236 1.00 32.05 C ATOM 937 HG1 THR A 101 25.502 -3.718 24.914 1.00 0.00 H ATOM 938 H THR A 101 24.807 -2.530 23.902 1.00 0.00 H ATOM 939 N ILE A 102 26.779 -0.313 23.612 1.00 27.41 N ATOM 940 CA ILE A 102 27.893 0.411 23.017 1.00 26.99 C ATOM 941 C ILE A 102 27.381 1.776 22.577 1.00 27.70 C ATOM 942 O ILE A 102 26.650 1.895 21.591 1.00 30.23 O ATOM 943 CB ILE A 102 28.526 -0.369 21.857 1.00 25.57 C ATOM 944 CG1 ILE A 102 29.163 -1.635 22.423 1.00 25.84 C ATOM 945 CG2 ILE A 102 29.564 0.505 21.153 1.00 31.08 C ATOM 946 CD1 ILE A 102 29.966 -2.439 21.428 1.00 24.51 C ATOM 947 H ILE A 102 26.080 -0.762 22.987 1.00 0.00 H ATOM 948 N ARG A 103 27.767 2.816 23.312 1.00 25.03 N ATOM 949 CA ARG A 103 27.337 4.169 23.003 1.00 32.57 C ATOM 950 C ARG A 103 28.487 5.154 22.873 1.00 33.64 C ATOM 951 O ARG A 103 28.245 6.328 22.578 1.00 35.10 O ATOM 952 CB ARG A 103 26.355 4.674 24.075 1.00 37.84 C ATOM 953 CG ARG A 103 25.254 3.686 24.415 1.00 37.24 C ATOM 954 CD ARG A 103 24.328 4.236 25.500 1.00 55.59 C ATOM 955 NE ARG A 103 23.986 3.236 26.516 1.00 71.96 N ATOM 956 CZ ARG A 103 24.855 2.670 27.355 1.00 83.64 C ATOM 957 NH1 ARG A 103 26.144 2.997 27.326 1.00 84.03 N ATOM 958 NH2 ARG A 103 24.432 1.773 28.236 1.00 87.56 N ATOM 959 HE ARG A 103 22.990 2.946 26.588 1.00 0.00 H ATOM 960 HH12 ARG A 103 26.810 2.547 27.986 1.00 0.00 H ATOM 961 HH11 ARG A 103 26.486 3.703 26.643 1.00 0.00 H ATOM 962 HH22 ARG A 103 25.107 1.330 28.892 1.00 0.00 H ATOM 963 HH21 ARG A 103 23.426 1.513 28.271 1.00 0.00 H ATOM 964 H ARG A 103 28.392 2.656 24.128 1.00 0.00 H ATOM 965 N SER A 104 29.722 4.719 23.081 1.00 26.11 N ATOM 966 CA SER A 104 30.853 5.637 23.111 1.00 26.04 C ATOM 967 C SER A 104 32.114 4.841 22.822 1.00 27.17 C ATOM 968 O SER A 104 32.118 3.607 22.895 1.00 25.80 O ATOM 969 CB SER A 104 30.971 6.320 24.473 1.00 29.01 C ATOM 970 OG SER A 104 31.402 5.376 25.441 1.00 28.44 O ATOM 971 HG SER A 104 30.744 4.639 25.497 1.00 0.00 H ATOM 972 H SER A 104 29.887 3.702 23.226 1.00 0.00 H ATOM 973 N ALA A 105 33.206 5.568 22.536 1.00 23.72 N ATOM 974 CA ALA A 105 34.473 4.882 22.308 1.00 27.09 C ATOM 975 C ALA A 105 34.919 4.120 23.550 1.00 26.54 C ATOM 976 O ALA A 105 35.510 3.038 23.437 1.00 25.71 O ATOM 977 CB ALA A 105 35.542 5.876 21.874 1.00 25.53 C ATOM 978 H ALA A 105 33.149 6.605 22.478 1.00 0.00 H ATOM 979 N SER A 106 34.637 4.660 24.743 1.00 25.20 N ATOM 980 CA SER A 106 34.956 3.937 25.974 1.00 23.51 C ATOM 981 C SER A 106 34.234 2.593 26.034 1.00 25.46 C ATOM 982 O SER A 106 34.825 1.581 26.437 1.00 23.89 O ATOM 983 CB SER A 106 34.606 4.791 27.190 1.00 28.30 C ATOM 984 OG SER A 106 35.009 4.140 28.391 1.00 34.42 O ATOM 985 HG SER A 106 34.544 3.269 28.465 1.00 0.00 H ATOM 986 H SER A 106 34.189 5.597 24.794 1.00 0.00 H ATOM 987 N ASP A 107 32.964 2.551 25.616 1.00 21.12 N ATOM 988 CA ASP A 107 32.226 1.286 25.632 1.00 21.10 C ATOM 989 C ASP A 107 32.833 0.287 24.655 1.00 24.52 C ATOM 990 O ASP A 107 32.850 -0.929 24.915 1.00 22.72 O ATOM 991 CB ASP A 107 30.742 1.501 25.278 1.00 20.10 C ATOM 992 CG ASP A 107 29.997 2.376 26.279 1.00 27.37 C ATOM 993 OD1 ASP A 107 30.448 2.514 27.441 1.00 30.21 O ATOM 994 OD2 ASP A 107 28.939 2.936 25.885 1.00 27.63 O ATOM 995 H ASP A 107 32.500 3.418 25.279 1.00 0.00 H ATOM 996 N ILE A 108 33.299 0.769 23.504 1.00 21.80 N ATOM 997 CA ILE A 108 33.986 -0.118 22.576 1.00 19.40 C ATOM 998 C ILE A 108 35.246 -0.678 23.222 1.00 21.41 C ATOM 999 O ILE A 108 35.537 -1.877 23.118 1.00 26.06 O ATOM 1000 CB ILE A 108 34.331 0.621 21.273 1.00 19.17 C ATOM 1001 CG1 ILE A 108 33.067 1.032 20.516 1.00 23.64 C ATOM 1002 CG2 ILE A 108 35.272 -0.249 20.446 1.00 20.99 C ATOM 1003 CD1 ILE A 108 33.359 2.032 19.364 1.00 23.57 C ATOM 1004 H ILE A 108 33.173 1.774 23.269 1.00 0.00 H ATOM 1005 N ARG A 109 36.033 0.194 23.864 1.00 23.25 N ATOM 1006 CA ARG A 109 37.242 -0.258 24.545 1.00 21.25 C ATOM 1007 C ARG A 109 36.919 -1.331 25.589 1.00 23.53 C ATOM 1008 O ARG A 109 37.657 -2.315 25.728 1.00 23.91 O ATOM 1009 CB ARG A 109 37.933 0.939 25.190 1.00 27.15 C ATOM 1010 CG ARG A 109 39.242 0.645 25.946 1.00 23.73 C ATOM 1011 CD ARG A 109 39.833 1.945 26.492 1.00 22.75 C ATOM 1012 NE ARG A 109 41.090 1.726 27.200 1.00 26.60 N ATOM 1013 CZ ARG A 109 41.174 1.335 28.471 1.00 25.66 C ATOM 1014 NH1 ARG A 109 40.072 1.132 29.174 1.00 25.85 N ATOM 1015 NH2 ARG A 109 42.363 1.150 29.039 1.00 25.41 N ATOM 1016 HE ARG A 109 41.976 1.885 26.680 1.00 0.00 H ATOM 1017 HH12 ARG A 109 40.137 0.827 30.166 1.00 0.00 H ATOM 1018 HH11 ARG A 109 39.141 1.278 28.735 1.00 0.00 H ATOM 1019 HH22 ARG A 109 42.423 0.845 30.031 1.00 0.00 H ATOM 1020 HH21 ARG A 109 43.232 1.311 28.491 1.00 0.00 H ATOM 1021 H ARG A 109 35.781 1.203 23.878 1.00 0.00 H ATOM 1022 N ASP A 110 35.804 -1.170 26.310 1.00 22.23 N ATOM 1023 CA ASP A 110 35.386 -2.171 27.302 1.00 23.93 C ATOM 1024 C ASP A 110 35.249 -3.563 26.691 1.00 25.98 C ATOM 1025 O ASP A 110 35.563 -4.578 27.344 1.00 24.67 O ATOM 1026 CB ASP A 110 34.053 -1.771 27.939 1.00 23.97 C ATOM 1027 CG ASP A 110 34.194 -0.650 28.963 1.00 26.57 C ATOM 1028 OD1 ASP A 110 35.331 -0.352 29.382 1.00 27.14 O ATOM 1029 OD2 ASP A 110 33.159 -0.062 29.337 1.00 28.38 O ATOM 1030 H ASP A 110 35.222 -0.320 26.166 1.00 0.00 H ATOM 1031 N VAL A 111 34.738 -3.639 25.459 1.00 21.52 N ATOM 1032 CA VAL A 111 34.576 -4.931 24.802 1.00 22.25 C ATOM 1033 C VAL A 111 35.922 -5.614 24.637 1.00 23.87 C ATOM 1034 O VAL A 111 36.055 -6.826 24.876 1.00 21.43 O ATOM 1035 CB VAL A 111 33.869 -4.753 23.444 1.00 23.12 C ATOM 1036 CG1 VAL A 111 34.029 -5.999 22.578 1.00 24.63 C ATOM 1037 CG2 VAL A 111 32.394 -4.452 23.665 1.00 28.22 C ATOM 1038 H VAL A 111 34.453 -2.770 24.964 1.00 0.00 H ATOM 1039 N PHE A 112 36.940 -4.853 24.219 1.00 22.82 N ATOM 1040 CA PHE A 112 38.281 -5.424 24.073 1.00 22.85 C ATOM 1041 C PHE A 112 38.872 -5.833 25.419 1.00 28.07 C ATOM 1042 O PHE A 112 39.539 -6.870 25.513 1.00 25.58 O ATOM 1043 CB PHE A 112 39.221 -4.426 23.390 1.00 21.44 C ATOM 1044 CG PHE A 112 38.996 -4.276 21.900 1.00 24.46 C ATOM 1045 CD1 PHE A 112 37.860 -3.634 21.412 1.00 23.24 C ATOM 1046 CD2 PHE A 112 39.947 -4.725 20.996 1.00 24.38 C ATOM 1047 CE1 PHE A 112 37.679 -3.457 20.037 1.00 20.94 C ATOM 1048 CE2 PHE A 112 39.766 -4.569 19.616 1.00 23.18 C ATOM 1049 CZ PHE A 112 38.633 -3.935 19.144 1.00 21.53 C ATOM 1050 H PHE A 112 36.778 -3.850 23.996 1.00 0.00 H ATOM 1051 N ILE A 113 38.699 -5.005 26.453 1.00 22.61 N ATOM 1052 CA ILE A 113 39.207 -5.347 27.784 1.00 27.61 C ATOM 1053 C ILE A 113 38.589 -6.656 28.256 1.00 26.46 C ATOM 1054 O ILE A 113 39.283 -7.573 28.701 1.00 31.09 O ATOM 1055 CB ILE A 113 38.922 -4.217 28.798 1.00 25.33 C ATOM 1056 CG1 ILE A 113 39.607 -2.901 28.417 1.00 28.20 C ATOM 1057 CG2 ILE A 113 39.358 -4.640 30.212 1.00 29.91 C ATOM 1058 CD1 ILE A 113 41.075 -2.976 28.462 1.00 30.63 C ATOM 1059 H ILE A 113 38.197 -4.105 26.311 1.00 0.00 H ATOM 1060 N ASN A 114 37.265 -6.751 28.165 1.00 25.34 N ATOM 1061 CA ASN A 114 36.557 -7.968 28.567 1.00 24.92 C ATOM 1062 C ASN A 114 36.984 -9.175 27.727 1.00 28.89 C ATOM 1063 O ASN A 114 36.926 -10.313 28.203 1.00 29.68 O ATOM 1064 CB ASN A 114 35.048 -7.728 28.442 1.00 23.59 C ATOM 1065 CG ASN A 114 34.217 -8.904 28.927 1.00 35.53 C ATOM 1066 OD1 ASN A 114 34.273 -9.278 30.090 1.00 32.60 O ATOM 1067 ND2 ASN A 114 33.431 -9.478 28.029 1.00 36.94 N ATOM 1068 HD22 ASN A 114 33.416 -9.126 27.050 1.00 0.00 H ATOM 1069 HD21 ASN A 114 32.829 -10.281 28.302 1.00 0.00 H ATOM 1070 H ASN A 114 36.721 -5.943 27.800 1.00 0.00 H ATOM 1071 N ALA A 115 37.385 -8.954 26.473 1.00 23.61 N ATOM 1072 CA ALA A 115 37.886 -10.035 25.635 1.00 25.30 C ATOM 1073 C ALA A 115 39.333 -10.396 25.942 1.00 33.65 C ATOM 1074 O ALA A 115 39.872 -11.301 25.304 1.00 36.76 O ATOM 1075 CB ALA A 115 37.740 -9.675 24.150 1.00 24.51 C ATOM 1076 H ALA A 115 37.339 -7.990 26.086 1.00 0.00 H ATOM 1077 N GLY A 116 39.971 -9.720 26.891 1.00 31.95 N ATOM 1078 CA GLY A 116 41.311 -10.084 27.308 1.00 31.10 C ATOM 1079 C GLY A 116 42.448 -9.293 26.692 1.00 34.52 C ATOM 1080 O GLY A 116 43.614 -9.643 26.919 1.00 35.16 O ATOM 1081 H GLY A 116 39.499 -8.912 27.345 1.00 0.00 H ATOM 1082 N ILE A 117 42.156 -8.238 25.944 1.00 24.83 N ATOM 1083 CA ILE A 117 43.195 -7.344 25.440 1.00 27.20 C ATOM 1084 C ILE A 117 43.551 -6.366 26.553 1.00 29.79 C ATOM 1085 O ILE A 117 42.665 -5.731 27.138 1.00 26.41 O ATOM 1086 CB ILE A 117 42.732 -6.605 24.170 1.00 28.95 C ATOM 1087 CG1 ILE A 117 42.644 -7.569 22.984 1.00 28.31 C ATOM 1088 CG2 ILE A 117 43.720 -5.512 23.817 1.00 27.40 C ATOM 1089 CD1 ILE A 117 41.312 -8.298 22.872 1.00 28.44 C ATOM 1090 H ILE A 117 41.162 -8.042 25.710 1.00 0.00 H ATOM 1091 N LYS A 118 44.843 -6.253 26.859 1.00 26.61 N ATOM 1092 CA LYS A 118 45.270 -5.379 27.946 1.00 36.26 C ATOM 1093 C LYS A 118 44.958 -3.921 27.615 1.00 29.87 C ATOM 1094 O LYS A 118 45.012 -3.492 26.456 1.00 27.64 O ATOM 1095 CB LYS A 118 46.773 -5.546 28.225 1.00 35.49 C ATOM 1096 CG LYS A 118 47.194 -6.927 28.746 1.00 43.86 C ATOM 1097 CD LYS A 118 48.657 -6.914 29.199 1.00 50.89 C ATOM 1098 CE LYS A 118 49.110 -8.264 29.759 1.00 60.81 C ATOM 1099 NZ LYS A 118 49.272 -9.281 28.677 1.00 70.18 N ATOM 1100 HZ1 LYS A 118 48.363 -9.415 28.190 1.00 0.00 H ATOM 1101 HZ2 LYS A 118 49.986 -8.951 27.997 1.00 0.00 H ATOM 1102 HZ3 LYS A 118 49.580 -10.183 29.094 1.00 0.00 H ATOM 1103 H LYS A 118 45.551 -6.791 26.320 1.00 0.00 H ATOM 1104 N GLY A 119 44.657 -3.147 28.659 1.00 29.53 N ATOM 1105 CA GLY A 119 44.319 -1.748 28.445 1.00 36.43 C ATOM 1106 C GLY A 119 45.439 -0.980 27.777 1.00 29.87 C ATOM 1107 O GLY A 119 45.220 -0.258 26.800 1.00 34.02 O ATOM 1108 H GLY A 119 44.664 -3.542 29.621 1.00 0.00 H ATOM 1109 N GLU A 120 46.660 -1.139 28.287 1.00 30.12 N ATOM 1110 CA GLU A 120 47.806 -0.461 27.685 1.00 33.08 C ATOM 1111 C GLU A 120 47.974 -0.864 26.227 1.00 38.32 C ATOM 1112 O GLU A 120 48.282 -0.025 25.374 1.00 42.58 O ATOM 1113 CB GLU A 120 49.078 -0.770 28.485 1.00 40.03 C ATOM 1114 CG GLU A 120 50.168 0.296 28.364 1.00 64.56 C ATOM 1115 CD GLU A 120 51.061 0.119 27.133 1.00 83.02 C ATOM 1116 OE1 GLU A 120 51.833 -0.866 27.076 1.00 88.96 O ATOM 1117 OE2 GLU A 120 51.000 0.976 26.224 1.00 89.07 O ATOM 1118 H GLU A 120 46.798 -1.749 29.118 1.00 0.00 H ATOM 1119 N GLU A 121 47.752 -2.147 25.928 1.00 41.73 N ATOM 1120 CA GLU A 121 47.859 -2.667 24.567 1.00 32.95 C ATOM 1121 C GLU A 121 46.836 -2.018 23.642 1.00 36.44 C ATOM 1122 O GLU A 121 47.158 -1.607 22.523 1.00 30.66 O ATOM 1123 CB GLU A 121 47.646 -4.184 24.599 1.00 50.87 C ATOM 1124 CG GLU A 121 48.587 -5.031 23.771 1.00 71.27 C ATOM 1125 CD GLU A 121 48.176 -6.505 23.767 1.00 82.45 C ATOM 1126 OE1 GLU A 121 47.572 -6.973 24.766 1.00 77.86 O ATOM 1127 OE2 GLU A 121 48.443 -7.190 22.755 1.00 85.70 O ATOM 1128 H GLU A 121 47.493 -2.801 26.694 1.00 0.00 H ATOM 1129 N TYR A 122 45.582 -1.944 24.088 1.00 25.67 N ATOM 1130 CA TYR A 122 44.528 -1.342 23.273 1.00 22.12 C ATOM 1131 C TYR A 122 44.801 0.131 23.016 1.00 23.31 C ATOM 1132 O TYR A 122 44.676 0.607 21.881 1.00 25.90 O ATOM 1133 CB TYR A 122 43.175 -1.504 23.967 1.00 22.51 C ATOM 1134 CG TYR A 122 42.028 -0.933 23.171 1.00 25.44 C ATOM 1135 CD1 TYR A 122 41.381 -1.714 22.226 1.00 24.10 C ATOM 1136 CD2 TYR A 122 41.597 0.382 23.355 1.00 21.69 C ATOM 1137 CE1 TYR A 122 40.341 -1.218 21.476 1.00 26.86 C ATOM 1138 CE2 TYR A 122 40.542 0.893 22.605 1.00 23.83 C ATOM 1139 CZ TYR A 122 39.922 0.075 21.677 1.00 25.66 C ATOM 1140 OH TYR A 122 38.873 0.549 20.923 1.00 22.92 O ATOM 1141 HH TYR A 122 38.136 0.827 21.523 1.00 0.00 H ATOM 1142 H TYR A 122 45.350 -2.320 25.029 1.00 0.00 H ATOM 1143 N ASP A 123 45.164 0.876 24.066 1.00 26.64 N ATOM 1144 CA ASP A 123 45.333 2.320 23.913 1.00 25.79 C ATOM 1145 C ASP A 123 46.519 2.655 23.019 1.00 29.45 C ATOM 1146 O ASP A 123 46.438 3.583 22.205 1.00 30.57 O ATOM 1147 CB ASP A 123 45.504 2.973 25.286 1.00 30.95 C ATOM 1148 CG ASP A 123 44.294 2.768 26.174 1.00 31.12 C ATOM 1149 OD1 ASP A 123 43.186 2.582 25.627 1.00 28.77 O ATOM 1150 OD2 ASP A 123 44.461 2.804 27.410 1.00 30.94 O ATOM 1151 H ASP A 123 45.326 0.428 24.991 1.00 0.00 H ATOM 1152 N ALA A 124 47.632 1.928 23.166 1.00 31.16 N ATOM 1153 CA ALA A 124 48.772 2.146 22.277 1.00 31.40 C ATOM 1154 C ALA A 124 48.396 1.886 20.816 1.00 35.26 C ATOM 1155 O ALA A 124 48.747 2.668 19.927 1.00 31.67 O ATOM 1156 CB ALA A 124 49.943 1.262 22.700 1.00 28.76 C ATOM 1157 H ALA A 124 47.687 1.207 23.913 1.00 0.00 H ATOM 1158 N ALA A 125 47.682 0.791 20.545 1.00 25.24 N ATOM 1159 CA ALA A 125 47.226 0.529 19.180 1.00 31.64 C ATOM 1160 C ALA A 125 46.281 1.622 18.703 1.00 23.37 C ATOM 1161 O ALA A 125 46.436 2.159 17.598 1.00 30.16 O ATOM 1162 CB ALA A 125 46.534 -0.832 19.106 1.00 24.46 C ATOM 1163 H ALA A 125 47.449 0.122 21.307 1.00 0.00 H ATOM 1164 N TRP A 126 45.295 1.966 19.533 1.00 23.50 N ATOM 1165 CA TRP A 126 44.310 2.976 19.159 1.00 24.25 C ATOM 1166 C TRP A 126 44.968 4.268 18.686 1.00 24.15 C ATOM 1167 O TRP A 126 44.499 4.898 17.725 1.00 28.67 O ATOM 1168 CB TRP A 126 43.377 3.256 20.339 1.00 25.13 C ATOM 1169 CG TRP A 126 42.330 4.295 20.038 1.00 27.46 C ATOM 1170 CD1 TRP A 126 42.446 5.641 20.214 1.00 31.07 C ATOM 1171 CD2 TRP A 126 41.015 4.071 19.502 1.00 23.63 C ATOM 1172 NE1 TRP A 126 41.291 6.273 19.814 1.00 28.00 N ATOM 1173 CE2 TRP A 126 40.395 5.336 19.374 1.00 28.73 C ATOM 1174 CE3 TRP A 126 40.311 2.937 19.114 1.00 22.45 C ATOM 1175 CZ2 TRP A 126 39.093 5.489 18.896 1.00 28.81 C ATOM 1176 CZ3 TRP A 126 39.007 3.088 18.636 1.00 24.33 C ATOM 1177 CH2 TRP A 126 38.423 4.352 18.517 1.00 23.80 C ATOM 1178 HE1 TRP A 126 41.125 7.299 19.842 1.00 0.00 H ATOM 1179 H TRP A 126 45.227 1.506 20.463 1.00 0.00 H ATOM 1180 N ASN A 127 46.060 4.664 19.336 1.00 27.79 N ATOM 1181 CA ASN A 127 46.728 5.922 19.049 1.00 32.52 C ATOM 1182 C ASN A 127 47.882 5.795 18.067 1.00 36.44 C ATOM 1183 O ASN A 127 48.529 6.806 17.766 1.00 33.37 O ATOM 1184 CB ASN A 127 47.212 6.542 20.357 1.00 31.24 C ATOM 1185 CG ASN A 127 46.055 6.934 21.257 1.00 37.20 C ATOM 1186 OD1 ASN A 127 45.332 7.877 20.957 1.00 37.06 O ATOM 1187 ND2 ASN A 127 45.879 6.219 22.362 1.00 40.40 N ATOM 1188 HD22 ASN A 127 46.518 5.427 22.576 1.00 0.00 H ATOM 1189 HD21 ASN A 127 45.102 6.451 23.013 1.00 0.00 H ATOM 1190 H ASN A 127 46.450 4.049 20.078 1.00 0.00 H ATOM 1191 N SER A 128 48.134 4.601 17.527 1.00 25.37 N ATOM 1192 CA SER A 128 49.323 4.394 16.704 1.00 29.48 C ATOM 1193 C SER A 128 49.097 4.848 15.267 1.00 27.50 C ATOM 1194 O SER A 128 47.963 4.923 14.773 1.00 25.97 O ATOM 1195 CB SER A 128 49.747 2.924 16.708 1.00 26.47 C ATOM 1196 OG SER A 128 48.769 2.139 16.061 1.00 27.49 O ATOM 1197 HG SER A 128 47.906 2.231 16.537 1.00 0.00 H ATOM 1198 H SER A 128 47.478 3.811 17.693 1.00 0.00 H ATOM 1199 N PHE A 129 50.208 5.166 14.594 1.00 28.30 N ATOM 1200 CA PHE A 129 50.132 5.497 13.170 1.00 33.27 C ATOM 1201 C PHE A 129 49.899 4.261 12.303 1.00 27.29 C ATOM 1202 O PHE A 129 49.316 4.371 11.220 1.00 28.62 O ATOM 1203 CB PHE A 129 51.389 6.255 12.759 1.00 33.24 C ATOM 1204 CG PHE A 129 51.364 7.684 13.205 1.00 34.26 C ATOM 1205 CD1 PHE A 129 51.886 8.048 14.431 1.00 31.55 C ATOM 1206 CD2 PHE A 129 50.739 8.651 12.436 1.00 33.60 C ATOM 1207 CE1 PHE A 129 51.822 9.364 14.869 1.00 36.01 C ATOM 1208 CE2 PHE A 129 50.693 9.976 12.858 1.00 35.57 C ATOM 1209 CZ PHE A 129 51.224 10.323 14.079 1.00 36.58 C ATOM 1210 H PHE A 129 51.126 5.178 15.082 1.00 0.00 H ATOM 1211 N VAL A 130 50.297 3.081 12.772 1.00 30.04 N ATOM 1212 CA VAL A 130 49.948 1.853 12.054 1.00 27.82 C ATOM 1213 C VAL A 130 48.430 1.705 11.944 1.00 24.43 C ATOM 1214 O VAL A 130 47.899 1.359 10.880 1.00 28.99 O ATOM 1215 CB VAL A 130 50.603 0.637 12.734 1.00 27.01 C ATOM 1216 CG1 VAL A 130 49.894 -0.652 12.318 1.00 31.71 C ATOM 1217 CG2 VAL A 130 52.077 0.567 12.341 1.00 27.78 C ATOM 1218 H VAL A 130 50.856 3.031 13.648 1.00 0.00 H ATOM 1219 N VAL A 131 47.705 2.009 13.018 1.00 22.47 N ATOM 1220 CA VAL A 131 46.239 1.942 12.982 1.00 26.39 C ATOM 1221 C VAL A 131 45.661 3.089 12.143 1.00 23.99 C ATOM 1222 O VAL A 131 44.663 2.911 11.427 1.00 24.43 O ATOM 1223 CB VAL A 131 45.695 1.915 14.426 1.00 29.51 C ATOM 1224 CG1 VAL A 131 44.260 2.423 14.530 1.00 28.61 C ATOM 1225 CG2 VAL A 131 45.795 0.491 14.999 1.00 25.81 C ATOM 1226 H VAL A 131 48.184 2.298 13.895 1.00 0.00 H ATOM 1227 N LYS A 132 46.272 4.279 12.205 1.00 27.62 N ATOM 1228 CA LYS A 132 45.867 5.353 11.291 1.00 28.43 C ATOM 1229 C LYS A 132 45.954 4.900 9.834 1.00 28.82 C ATOM 1230 O LYS A 132 45.060 5.189 9.023 1.00 29.24 O ATOM 1231 CB LYS A 132 46.736 6.592 11.494 1.00 29.56 C ATOM 1232 CG LYS A 132 46.459 7.372 12.762 1.00 42.66 C ATOM 1233 CD LYS A 132 46.775 8.866 12.585 1.00 53.86 C ATOM 1234 CE LYS A 132 47.229 9.480 13.899 1.00 60.01 C ATOM 1235 NZ LYS A 132 46.411 9.040 15.075 1.00 59.54 N ATOM 1236 HZ1 LYS A 132 45.419 9.314 14.928 1.00 0.00 H ATOM 1237 HZ2 LYS A 132 46.475 8.007 15.173 1.00 0.00 H ATOM 1238 HZ3 LYS A 132 46.773 9.495 15.937 1.00 0.00 H ATOM 1239 H LYS A 132 47.030 4.441 12.898 1.00 0.00 H ATOM 1240 N SER A 133 47.021 4.180 9.488 1.00 27.45 N ATOM 1241 CA SER A 133 47.166 3.679 8.126 1.00 28.22 C ATOM 1242 C SER A 133 46.129 2.605 7.817 1.00 24.25 C ATOM 1243 O SER A 133 45.609 2.546 6.695 1.00 31.95 O ATOM 1244 CB SER A 133 48.581 3.145 7.906 1.00 31.90 C ATOM 1245 OG SER A 133 49.545 4.175 8.050 1.00 36.34 O ATOM 1246 HG SER A 133 49.488 4.554 8.963 1.00 0.00 H ATOM 1247 H SER A 133 47.756 3.974 10.195 1.00 0.00 H ATOM 1248 N LEU A 134 45.828 1.732 8.791 1.00 26.70 N ATOM 1249 CA LEU A 134 44.789 0.729 8.569 1.00 28.71 C ATOM 1250 C LEU A 134 43.417 1.373 8.402 1.00 28.50 C ATOM 1251 O LEU A 134 42.584 0.867 7.634 1.00 26.72 O ATOM 1252 CB LEU A 134 44.765 -0.282 9.716 1.00 27.10 C ATOM 1253 CG LEU A 134 45.909 -1.290 9.673 1.00 29.39 C ATOM 1254 CD1 LEU A 134 45.933 -2.077 10.962 1.00 26.97 C ATOM 1255 CD2 LEU A 134 45.778 -2.224 8.464 1.00 30.15 C ATOM 1256 H LEU A 134 46.332 1.769 9.700 1.00 0.00 H ATOM 1257 N VAL A 135 43.153 2.472 9.117 1.00 22.77 N ATOM 1258 CA VAL A 135 41.909 3.212 8.898 1.00 24.35 C ATOM 1259 C VAL A 135 41.869 3.770 7.474 1.00 22.46 C ATOM 1260 O VAL A 135 40.864 3.634 6.751 1.00 24.77 O ATOM 1261 CB VAL A 135 41.751 4.323 9.949 1.00 26.26 C ATOM 1262 CG1 VAL A 135 40.591 5.257 9.555 1.00 22.44 C ATOM 1263 CG2 VAL A 135 41.475 3.693 11.313 1.00 21.57 C ATOM 1264 H VAL A 135 43.834 2.802 9.831 1.00 0.00 H ATOM 1265 N ALA A 136 42.964 4.408 7.055 1.00 23.53 N ATOM 1266 CA ALA A 136 43.058 4.914 5.696 1.00 26.51 C ATOM 1267 C ALA A 136 42.877 3.797 4.677 1.00 30.69 C ATOM 1268 O ALA A 136 42.275 4.014 3.617 1.00 25.75 O ATOM 1269 CB ALA A 136 44.398 5.622 5.486 1.00 32.12 C ATOM 1270 H ALA A 136 43.760 4.545 7.710 1.00 0.00 H ATOM 1271 N GLN A 137 43.421 2.603 4.958 1.00 24.47 N ATOM 1272 CA GLN A 137 43.308 1.510 3.994 1.00 25.72 C ATOM 1273 C GLN A 137 41.858 1.074 3.831 1.00 27.23 C ATOM 1274 O GLN A 137 41.413 0.776 2.716 1.00 24.48 O ATOM 1275 CB GLN A 137 44.168 0.318 4.414 1.00 37.77 C ATOM 1276 CG GLN A 137 45.677 0.512 4.248 1.00 50.83 C ATOM 1277 CD GLN A 137 46.496 -0.590 4.926 1.00 56.93 C ATOM 1278 OE1 GLN A 137 47.386 -0.306 5.741 1.00 58.18 O ATOM 1279 NE2 GLN A 137 46.206 -1.847 4.587 1.00 47.20 N ATOM 1280 HE22 GLN A 137 45.451 -2.039 3.898 1.00 0.00 H ATOM 1281 HE21 GLN A 137 46.735 -2.635 5.011 1.00 0.00 H ATOM 1282 H GLN A 137 43.921 2.456 5.858 1.00 0.00 H ATOM 1283 N GLN A 138 41.121 0.984 4.940 1.00 24.18 N ATOM 1284 CA GLN A 138 39.707 0.618 4.877 1.00 24.25 C ATOM 1285 C GLN A 138 38.905 1.659 4.114 1.00 24.37 C ATOM 1286 O GLN A 138 38.051 1.311 3.291 1.00 21.54 O ATOM 1287 CB GLN A 138 39.144 0.443 6.288 1.00 22.20 C ATOM 1288 CG GLN A 138 39.773 -0.689 7.085 1.00 21.21 C ATOM 1289 CD GLN A 138 39.196 -0.762 8.498 1.00 22.62 C ATOM 1290 OE1 GLN A 138 38.157 -1.387 8.728 1.00 22.43 O ATOM 1291 NE2 GLN A 138 39.834 -0.054 9.440 1.00 21.89 N ATOM 1292 HE22 GLN A 138 40.707 0.458 9.203 1.00 0.00 H ATOM 1293 HE21 GLN A 138 39.456 -0.017 10.408 1.00 0.00 H ATOM 1294 H GLN A 138 41.559 1.177 5.863 1.00 0.00 H ATOM 1295 N GLU A 139 39.155 2.942 4.390 1.00 23.66 N ATOM 1296 CA GLU A 139 38.466 4.006 3.667 1.00 24.51 C ATOM 1297 C GLU A 139 38.778 3.965 2.179 1.00 27.70 C ATOM 1298 O GLU A 139 37.868 4.088 1.344 1.00 27.15 O ATOM 1299 CB GLU A 139 38.842 5.369 4.260 1.00 26.67 C ATOM 1300 CG GLU A 139 38.450 5.446 5.732 1.00 27.38 C ATOM 1301 CD GLU A 139 38.527 6.861 6.296 1.00 45.05 C ATOM 1302 OE1 GLU A 139 38.736 7.814 5.506 1.00 54.94 O ATOM 1303 OE2 GLU A 139 38.340 6.997 7.523 1.00 36.54 O ATOM 1304 H GLU A 139 39.847 3.185 5.127 1.00 0.00 H ATOM 1305 N LYS A 140 40.057 3.780 1.825 1.00 26.05 N ATOM 1306 CA LYS A 140 40.432 3.764 0.408 1.00 30.68 C ATOM 1307 C LYS A 140 39.776 2.612 -0.341 1.00 26.44 C ATOM 1308 O LYS A 140 39.322 2.776 -1.481 1.00 30.24 O ATOM 1309 CB LYS A 140 41.954 3.694 0.257 1.00 26.87 C ATOM 1310 CG LYS A 140 42.377 3.695 -1.210 1.00 33.41 C ATOM 1311 CD LYS A 140 43.858 3.483 -1.392 1.00 45.88 C ATOM 1312 CE LYS A 140 44.233 3.468 -2.881 1.00 49.25 C ATOM 1313 NZ LYS A 140 43.459 2.435 -3.641 1.00 45.53 N ATOM 1314 HZ1 LYS A 140 43.657 1.494 -3.245 1.00 0.00 H ATOM 1315 HZ2 LYS A 140 42.442 2.638 -3.562 1.00 0.00 H ATOM 1316 HZ3 LYS A 140 43.742 2.458 -4.641 1.00 0.00 H ATOM 1317 H LYS A 140 40.784 3.648 2.556 1.00 0.00 H ATOM 1318 N ALA A 141 39.719 1.432 0.275 1.00 27.71 N ATOM 1319 CA ALA A 141 39.114 0.287 -0.401 1.00 28.56 C ATOM 1320 C ALA A 141 37.636 0.528 -0.671 1.00 26.49 C ATOM 1321 O ALA A 141 37.135 0.224 -1.758 1.00 27.74 O ATOM 1322 CB ALA A 141 39.312 -0.981 0.436 1.00 25.28 C ATOM 1323 H ALA A 141 40.104 1.326 1.235 1.00 0.00 H ATOM 1324 N ALA A 142 36.922 1.069 0.305 1.00 25.94 N ATOM 1325 CA ALA A 142 35.517 1.391 0.093 1.00 25.91 C ATOM 1326 C ALA A 142 35.362 2.490 -0.949 1.00 35.05 C ATOM 1327 O ALA A 142 34.451 2.440 -1.778 1.00 33.35 O ATOM 1328 CB ALA A 142 34.880 1.828 1.406 1.00 23.52 C ATOM 1329 H ALA A 142 37.366 1.264 1.225 1.00 0.00 H ATOM 1330 N ALA A 143 36.239 3.501 -0.915 1.00 29.78 N ATOM 1331 CA ALA A 143 36.139 4.592 -1.887 1.00 28.87 C ATOM 1332 C ALA A 143 36.356 4.098 -3.306 1.00 33.13 C ATOM 1333 O ALA A 143 35.706 4.582 -4.243 1.00 39.46 O ATOM 1334 CB ALA A 143 37.158 5.693 -1.566 1.00 29.32 C ATOM 1335 H ALA A 143 36.992 3.512 -0.198 1.00 0.00 H ATOM 1336 N ASP A 144 37.269 3.144 -3.482 1.00 34.18 N ATOM 1337 CA ASP A 144 37.584 2.655 -4.816 1.00 36.31 C ATOM 1338 C ASP A 144 36.352 2.110 -5.534 1.00 42.90 C ATOM 1339 O ASP A 144 36.304 2.118 -6.767 1.00 45.84 O ATOM 1340 CB ASP A 144 38.663 1.577 -4.733 1.00 38.77 C ATOM 1341 CG ASP A 144 40.055 2.148 -4.518 1.00 46.89 C ATOM 1342 OD1 ASP A 144 40.275 3.341 -4.814 1.00 42.81 O ATOM 1343 OD2 ASP A 144 40.931 1.388 -4.052 1.00 49.76 O ATOM 1344 H ASP A 144 37.762 2.745 -2.658 1.00 0.00 H ATOM 1345 N VAL A 145 35.348 1.640 -4.797 1.00 36.04 N ATOM 1346 CA VAL A 145 34.191 0.994 -5.401 1.00 38.45 C ATOM 1347 C VAL A 145 32.916 1.789 -5.163 1.00 39.46 C ATOM 1348 O VAL A 145 31.820 1.254 -5.332 1.00 49.36 O ATOM 1349 CB VAL A 145 34.046 -0.454 -4.912 1.00 47.57 C ATOM 1350 CG1 VAL A 145 35.300 -1.247 -5.240 1.00 43.89 C ATOM 1351 CG2 VAL A 145 33.779 -0.492 -3.400 1.00 43.41 C ATOM 1352 H VAL A 145 35.391 1.737 -3.762 1.00 0.00 H ATOM 1353 N GLN A 146 33.034 3.066 -4.792 1.00 44.58 N ATOM 1354 CA GLN A 146 31.873 3.921 -4.545 1.00 62.93 C ATOM 1355 C GLN A 146 30.840 3.199 -3.678 1.00 61.47 C ATOM 1356 O GLN A 146 29.663 3.092 -4.025 1.00 71.49 O ATOM 1357 CB GLN A 146 31.251 4.388 -5.865 1.00 69.27 C ATOM 1358 H GLN A 146 33.986 3.468 -4.674 1.00 0.00 H ATOM 1359 N LEU A 147 31.303 2.681 -2.541 1.00 40.20 N ATOM 1360 CA LEU A 147 30.477 1.798 -1.734 1.00 39.72 C ATOM 1361 C LEU A 147 29.391 2.586 -1.008 1.00 48.48 C ATOM 1362 O LEU A 147 29.680 3.567 -0.316 1.00 45.78 O ATOM 1363 CB LEU A 147 31.351 1.054 -0.721 1.00 35.63 C ATOM 1364 CG LEU A 147 30.680 -0.029 0.111 1.00 29.05 C ATOM 1365 CD1 LEU A 147 30.431 -1.284 -0.723 1.00 29.78 C ATOM 1366 CD2 LEU A 147 31.560 -0.338 1.308 1.00 33.71 C ATOM 1367 H LEU A 147 32.267 2.911 -2.227 1.00 0.00 H ATOM 1368 N ARG A 148 28.137 2.136 -1.137 1.00 41.91 N ATOM 1369 CA ARG A 148 27.021 2.796 -0.464 1.00 45.36 C ATOM 1370 C ARG A 148 26.096 1.811 0.238 1.00 48.42 C ATOM 1371 O ARG A 148 25.058 2.227 0.771 1.00 46.30 O ATOM 1372 CB ARG A 148 26.215 3.649 -1.453 1.00 49.27 C ATOM 1373 H ARG A 148 27.954 1.300 -1.728 1.00 0.00 H ATOM 1374 N GLY A 149 26.440 0.524 0.249 1.00 36.69 N ATOM 1375 CA GLY A 149 25.653 -0.481 0.939 1.00 33.45 C ATOM 1376 C GLY A 149 26.506 -1.599 1.503 1.00 30.92 C ATOM 1377 O GLY A 149 27.482 -2.020 0.873 1.00 30.90 O ATOM 1378 H GLY A 149 27.302 0.230 -0.254 1.00 0.00 H ATOM 1379 N VAL A 150 26.163 -2.075 2.695 1.00 28.97 N ATOM 1380 CA VAL A 150 26.787 -3.267 3.268 1.00 25.46 C ATOM 1381 C VAL A 150 25.673 -4.221 3.678 1.00 25.21 C ATOM 1382 O VAL A 150 24.524 -3.798 3.873 1.00 30.52 O ATOM 1383 CB VAL A 150 27.699 -2.920 4.470 1.00 20.64 C ATOM 1384 CG1 VAL A 150 29.013 -2.281 3.965 1.00 22.51 C ATOM 1385 CG2 VAL A 150 26.969 -1.950 5.434 1.00 24.52 C ATOM 1386 H VAL A 150 25.426 -1.583 3.239 1.00 0.00 H ATOM 1387 N PRO A 151 25.969 -5.519 3.816 1.00 23.05 N ATOM 1388 CA PRO A 151 27.202 -6.247 3.541 1.00 22.16 C ATOM 1389 C PRO A 151 27.482 -6.301 2.044 1.00 29.13 C ATOM 1390 O PRO A 151 26.557 -6.477 1.242 1.00 30.22 O ATOM 1391 CB PRO A 151 26.922 -7.655 4.090 1.00 22.88 C ATOM 1392 CG PRO A 151 25.450 -7.798 3.978 1.00 26.15 C ATOM 1393 CD PRO A 151 24.885 -6.421 4.247 1.00 29.26 C ATOM 1394 N ALA A 152 28.737 -6.134 1.672 1.00 25.44 N ATOM 1395 CA ALA A 152 29.143 -6.199 0.276 1.00 25.17 C ATOM 1396 C ALA A 152 30.357 -7.099 0.183 1.00 24.70 C ATOM 1397 O ALA A 152 31.194 -7.116 1.090 1.00 29.24 O ATOM 1398 CB ALA A 152 29.471 -4.793 -0.283 1.00 27.24 C ATOM 1399 H ALA A 152 29.458 -5.950 2.399 1.00 0.00 H ATOM 1400 N MET A 153 30.452 -7.855 -0.904 1.00 23.37 N ATOM 1401 CA MET A 153 31.664 -8.607 -1.173 1.00 30.21 C ATOM 1402 C MET A 153 32.061 -8.418 -2.623 1.00 27.85 C ATOM 1403 O MET A 153 31.215 -8.443 -3.520 1.00 28.59 O ATOM 1404 CB MET A 153 31.510 -10.092 -0.882 1.00 30.32 C ATOM 1405 CG MET A 153 32.827 -10.837 -1.088 1.00 28.88 C ATOM 1406 SD MET A 153 32.597 -12.587 -1.006 1.00 36.56 S ATOM 1407 CE MET A 153 32.195 -12.840 0.682 1.00 26.64 C ATOM 1408 H MET A 153 29.653 -7.909 -1.567 1.00 0.00 H ATOM 1409 N PHE A 154 33.354 -8.223 -2.831 1.00 26.33 N ATOM 1410 CA PHE A 154 33.932 -7.997 -4.142 1.00 29.17 C ATOM 1411 C PHE A 154 34.964 -9.078 -4.404 1.00 31.88 C ATOM 1412 O PHE A 154 35.654 -9.526 -3.487 1.00 30.97 O ATOM 1413 CB PHE A 154 34.573 -6.604 -4.222 1.00 31.93 C ATOM 1414 CG PHE A 154 33.592 -5.493 -4.053 1.00 38.02 C ATOM 1415 CD1 PHE A 154 33.218 -5.058 -2.790 1.00 34.03 C ATOM 1416 CD2 PHE A 154 33.018 -4.895 -5.159 1.00 33.48 C ATOM 1417 CE1 PHE A 154 32.293 -4.032 -2.638 1.00 26.33 C ATOM 1418 CE2 PHE A 154 32.099 -3.877 -5.013 1.00 34.71 C ATOM 1419 CZ PHE A 154 31.740 -3.438 -3.759 1.00 30.30 C ATOM 1420 H PHE A 154 33.991 -8.232 -2.009 1.00 0.00 H ATOM 1421 N VAL A 155 35.058 -9.507 -5.658 1.00 28.14 N ATOM 1422 CA VAL A 155 35.958 -10.577 -6.042 1.00 29.12 C ATOM 1423 C VAL A 155 36.908 -10.038 -7.100 1.00 35.95 C ATOM 1424 O VAL A 155 36.470 -9.601 -8.173 1.00 38.97 O ATOM 1425 CB VAL A 155 35.193 -11.811 -6.551 1.00 32.57 C ATOM 1426 CG1 VAL A 155 36.162 -12.866 -7.020 1.00 35.15 C ATOM 1427 CG2 VAL A 155 34.308 -12.369 -5.437 1.00 32.39 C ATOM 1428 H VAL A 155 34.467 -9.061 -6.388 1.00 0.00 H ATOM 1429 N ASN A 156 38.206 -10.040 -6.772 1.00 40.90 N ATOM 1430 CA ASN A 156 39.285 -9.607 -7.660 1.00 45.17 C ATOM 1431 C ASN A 156 39.094 -8.182 -8.168 1.00 47.26 C ATOM 1432 O ASN A 156 39.554 -7.840 -9.255 1.00 46.24 O ATOM 1433 CB ASN A 156 39.456 -10.579 -8.828 1.00 50.23 C ATOM 1434 CG ASN A 156 40.090 -11.887 -8.397 1.00 54.87 C ATOM 1435 OD1 ASN A 156 40.999 -11.899 -7.563 1.00 55.30 O ATOM 1436 ND2 ASN A 156 39.628 -12.993 -8.969 1.00 46.66 N ATOM 1437 HD22 ASN A 156 38.860 -12.935 -9.668 1.00 0.00 H ATOM 1438 HD21 ASN A 156 40.035 -13.917 -8.718 1.00 0.00 H ATOM 1439 H ASN A 156 38.465 -10.372 -5.821 1.00 0.00 H ATOM 1440 N GLY A 157 38.452 -7.331 -7.375 1.00 45.52 N ATOM 1441 CA GLY A 157 38.239 -5.958 -7.781 1.00 46.07 C ATOM 1442 C GLY A 157 37.349 -5.773 -8.990 1.00 50.07 C ATOM 1443 O GLY A 157 37.323 -4.682 -9.565 1.00 56.44 O ATOM 1444 H GLY A 157 38.098 -7.655 -6.452 1.00 0.00 H ATOM 1445 N LYS A 158 36.602 -6.801 -9.392 1.00 43.58 N ATOM 1446 CA LYS A 158 35.853 -6.701 -10.641 1.00 44.49 C ATOM 1447 C LYS A 158 34.377 -7.031 -10.484 1.00 44.79 C ATOM 1448 O LYS A 158 33.536 -6.434 -11.161 1.00 47.20 O ATOM 1449 CB LYS A 158 36.462 -7.613 -11.703 1.00 46.88 C ATOM 1450 CG LYS A 158 37.832 -7.159 -12.171 1.00 61.92 C ATOM 1451 CD LYS A 158 38.373 -8.022 -13.300 1.00 70.18 C ATOM 1452 CE LYS A 158 37.270 -8.525 -14.231 1.00 79.49 C ATOM 1453 NZ LYS A 158 37.072 -7.661 -15.440 1.00 80.95 N ATOM 1454 HZ1 LYS A 158 36.813 -6.700 -15.139 1.00 0.00 H ATOM 1455 HZ2 LYS A 158 37.954 -7.628 -15.989 1.00 0.00 H ATOM 1456 HZ3 LYS A 158 36.311 -8.058 -16.027 1.00 0.00 H ATOM 1457 H LYS A 158 36.553 -7.668 -8.820 1.00 0.00 H ATOM 1458 N TYR A 159 34.046 -7.976 -9.606 1.00 34.20 N ATOM 1459 CA TYR A 159 32.688 -8.482 -9.491 1.00 33.80 C ATOM 1460 C TYR A 159 32.158 -8.225 -8.092 1.00 32.03 C ATOM 1461 O TYR A 159 32.887 -8.363 -7.105 1.00 31.14 O ATOM 1462 CB TYR A 159 32.641 -9.965 -9.810 1.00 36.21 C ATOM 1463 CG TYR A 159 33.325 -10.289 -11.120 1.00 40.08 C ATOM 1464 CD1 TYR A 159 32.757 -9.909 -12.328 1.00 44.95 C ATOM 1465 CD2 TYR A 159 34.540 -10.962 -11.153 1.00 42.35 C ATOM 1466 CE1 TYR A 159 33.380 -10.186 -13.534 1.00 49.10 C ATOM 1467 CE2 TYR A 159 35.172 -11.242 -12.353 1.00 51.16 C ATOM 1468 CZ TYR A 159 34.585 -10.853 -13.541 1.00 54.53 C ATOM 1469 OH TYR A 159 35.200 -11.129 -14.742 1.00 62.86 O ATOM 1470 HH TYR A 159 34.644 -10.781 -15.484 1.00 0.00 H ATOM 1471 H TYR A 159 34.782 -8.364 -8.983 1.00 0.00 H ATOM 1472 N GLN A 160 30.893 -7.836 -8.017 1.00 31.69 N ATOM 1473 CA GLN A 160 30.219 -7.588 -6.755 1.00 33.03 C ATOM 1474 C GLN A 160 29.108 -8.610 -6.579 1.00 28.35 C ATOM 1475 O GLN A 160 28.277 -8.788 -7.469 1.00 33.62 O ATOM 1476 CB GLN A 160 29.648 -6.169 -6.710 1.00 38.69 C ATOM 1477 CG GLN A 160 28.953 -5.840 -5.393 1.00 40.34 C ATOM 1478 CD GLN A 160 28.462 -4.408 -5.335 1.00 46.17 C ATOM 1479 OE1 GLN A 160 28.702 -3.615 -6.250 1.00 42.83 O ATOM 1480 NE2 GLN A 160 27.778 -4.067 -4.248 1.00 46.46 N ATOM 1481 HE22 GLN A 160 27.601 -4.771 -3.503 1.00 0.00 H ATOM 1482 HE21 GLN A 160 27.420 -3.096 -4.142 1.00 0.00 H ATOM 1483 H GLN A 160 30.360 -7.703 -8.900 1.00 0.00 H ATOM 1484 N LEU A 161 29.097 -9.282 -5.433 1.00 27.00 N ATOM 1485 CA LEU A 161 28.033 -10.232 -5.139 1.00 31.09 C ATOM 1486 C LEU A 161 26.692 -9.511 -5.091 1.00 33.26 C ATOM 1487 O LEU A 161 26.601 -8.377 -4.614 1.00 29.82 O ATOM 1488 CB LEU A 161 28.316 -10.931 -3.809 1.00 33.20 C ATOM 1489 CG LEU A 161 29.220 -12.168 -3.883 1.00 34.40 C ATOM 1490 CD1 LEU A 161 28.488 -13.373 -4.516 1.00 30.80 C ATOM 1491 CD2 LEU A 161 30.526 -11.863 -4.620 1.00 31.50 C ATOM 1492 H LEU A 161 29.856 -9.128 -4.739 1.00 0.00 H ATOM 1493 N ASN A 162 25.651 -10.159 -5.625 1.00 27.09 N ATOM 1494 CA ASN A 162 24.287 -9.622 -5.626 1.00 29.60 C ATOM 1495 C ASN A 162 23.390 -10.561 -4.825 1.00 28.40 C ATOM 1496 O ASN A 162 22.653 -11.378 -5.401 1.00 36.82 O ATOM 1497 CB ASN A 162 23.751 -9.436 -7.046 1.00 33.82 C ATOM 1498 CG ASN A 162 22.434 -8.673 -7.080 1.00 42.12 C ATOM 1499 OD1 ASN A 162 22.229 -7.736 -6.307 1.00 45.76 O ATOM 1500 ND2 ASN A 162 21.533 -9.074 -7.972 1.00 41.57 N ATOM 1501 HD22 ASN A 162 21.747 -9.870 -8.606 1.00 0.00 H ATOM 1502 HD21 ASN A 162 20.614 -8.592 -8.036 1.00 0.00 H ATOM 1503 H ASN A 162 25.817 -11.089 -6.061 1.00 0.00 H ATOM 1504 N PRO A 163 23.408 -10.463 -3.494 1.00 32.58 N ATOM 1505 CA PRO A 163 22.580 -11.378 -2.687 1.00 31.49 C ATOM 1506 C PRO A 163 21.091 -11.141 -2.846 1.00 35.85 C ATOM 1507 O PRO A 163 20.304 -12.042 -2.526 1.00 37.65 O ATOM 1508 CB PRO A 163 23.037 -11.105 -1.246 1.00 28.41 C ATOM 1509 CG PRO A 163 23.638 -9.711 -1.297 1.00 30.81 C ATOM 1510 CD PRO A 163 24.259 -9.591 -2.663 1.00 28.86 C ATOM 1511 N GLN A 164 20.669 -9.973 -3.341 1.00 30.48 N ATOM 1512 CA GLN A 164 19.239 -9.767 -3.549 1.00 39.91 C ATOM 1513 C GLN A 164 18.697 -10.638 -4.682 1.00 47.63 C ATOM 1514 O GLN A 164 17.482 -10.834 -4.769 1.00 45.25 O ATOM 1515 CB GLN A 164 18.946 -8.289 -3.815 1.00 43.55 C ATOM 1516 CG GLN A 164 19.297 -7.824 -5.206 1.00 51.59 C ATOM 1517 H GLN A 164 21.350 -9.222 -3.574 1.00 0.00 H ATOM 1518 N GLY A 165 19.567 -11.168 -5.538 1.00 53.39 N ATOM 1519 CA GLY A 165 19.192 -12.139 -6.542 1.00 62.32 C ATOM 1520 C GLY A 165 19.244 -13.588 -6.096 1.00 66.22 C ATOM 1521 O GLY A 165 19.178 -14.482 -6.945 1.00 73.04 O ATOM 1522 H GLY A 165 20.562 -10.870 -5.483 1.00 0.00 H ATOM 1523 N MET A 166 19.361 -13.852 -4.792 1.00 50.18 N ATOM 1524 CA MET A 166 19.433 -15.204 -4.254 1.00 39.16 C ATOM 1525 C MET A 166 18.186 -15.477 -3.418 1.00 55.47 C ATOM 1526 O MET A 166 17.697 -14.590 -2.713 1.00 57.16 O ATOM 1527 CB MET A 166 20.721 -15.402 -3.428 1.00 42.54 C ATOM 1528 CG MET A 166 22.005 -15.138 -4.226 1.00 26.55 C ATOM 1529 SD MET A 166 23.557 -15.086 -3.314 1.00 33.73 S ATOM 1530 CE MET A 166 24.693 -14.546 -4.597 1.00 32.98 C ATOM 1531 H MET A 166 19.403 -13.053 -4.128 1.00 0.00 H ATOM 1532 N ASP A 167 17.650 -16.692 -3.517 1.00 66.27 N ATOM 1533 CA ASP A 167 16.420 -17.009 -2.799 1.00 66.81 C ATOM 1534 C ASP A 167 16.711 -17.152 -1.313 1.00 50.26 C ATOM 1535 O ASP A 167 17.758 -17.667 -0.919 1.00 50.48 O ATOM 1536 CB ASP A 167 15.788 -18.290 -3.344 1.00 74.87 C ATOM 1537 H ASP A 167 18.109 -17.416 -4.107 1.00 0.00 H ATOM 1538 N THR A 168 15.792 -16.661 -0.478 1.00 37.40 N ATOM 1539 CA THR A 168 16.020 -16.621 0.964 1.00 37.86 C ATOM 1540 C THR A 168 14.934 -17.351 1.751 1.00 43.74 C ATOM 1541 O THR A 168 14.734 -17.070 2.936 1.00 37.21 O ATOM 1542 CB THR A 168 16.149 -15.177 1.453 1.00 34.67 C ATOM 1543 OG1 THR A 168 14.916 -14.488 1.234 1.00 37.50 O ATOM 1544 CG2 THR A 168 17.272 -14.465 0.705 1.00 36.77 C ATOM 1545 HG1 THR A 168 14.192 -14.943 1.733 1.00 0.00 H ATOM 1546 H THR A 168 14.896 -16.300 -0.862 1.00 0.00 H ATOM 1547 N SER A 169 14.226 -18.287 1.118 1.00 31.88 N ATOM 1548 CA SER A 169 13.297 -19.127 1.861 1.00 40.91 C ATOM 1549 C SER A 169 14.027 -20.123 2.749 1.00 36.51 C ATOM 1550 O SER A 169 13.459 -20.613 3.734 1.00 37.13 O ATOM 1551 CB SER A 169 12.380 -19.863 0.889 1.00 47.56 C ATOM 1552 OG SER A 169 13.134 -20.784 0.120 1.00 45.58 O ATOM 1553 HG SER A 169 13.828 -20.296 -0.390 1.00 0.00 H ATOM 1554 H SER A 169 14.337 -18.417 0.092 1.00 0.00 H ATOM 1555 N ASN A 170 15.272 -20.425 2.424 1.00 34.14 N ATOM 1556 CA ASN A 170 16.060 -21.403 3.152 1.00 31.55 C ATOM 1557 C ASN A 170 17.443 -20.814 3.361 1.00 34.17 C ATOM 1558 O ASN A 170 18.158 -20.541 2.392 1.00 29.85 O ATOM 1559 CB ASN A 170 16.130 -22.731 2.386 1.00 29.58 C ATOM 1560 CG ASN A 170 16.929 -23.775 3.123 1.00 30.13 C ATOM 1561 OD1 ASN A 170 18.095 -23.558 3.453 1.00 29.42 O ATOM 1562 ND2 ASN A 170 16.311 -24.933 3.373 1.00 30.86 N ATOM 1563 HD22 ASN A 170 15.324 -25.071 3.075 1.00 0.00 H ATOM 1564 HD21 ASN A 170 16.817 -25.697 3.866 1.00 0.00 H ATOM 1565 H ASN A 170 15.706 -19.941 1.612 1.00 0.00 H ATOM 1566 N MET A 171 17.826 -20.624 4.625 1.00 27.29 N ATOM 1567 CA MET A 171 19.058 -19.894 4.884 1.00 31.69 C ATOM 1568 C MET A 171 20.296 -20.674 4.460 1.00 31.31 C ATOM 1569 O MET A 171 21.306 -20.069 4.067 1.00 27.74 O ATOM 1570 CB MET A 171 19.111 -19.531 6.349 1.00 34.60 C ATOM 1571 CG MET A 171 17.863 -18.790 6.688 1.00 43.67 C ATOM 1572 SD MET A 171 18.133 -17.732 8.060 1.00 64.59 S ATOM 1573 CE MET A 171 18.180 -18.971 9.329 1.00 51.98 C ATOM 1574 H MET A 171 17.254 -20.991 5.412 1.00 0.00 H ATOM 1575 N ASP A 172 20.253 -21.998 4.564 1.00 29.18 N ATOM 1576 CA ASP A 172 21.397 -22.796 4.158 1.00 25.47 C ATOM 1577 C ASP A 172 21.558 -22.779 2.640 1.00 24.64 C ATOM 1578 O ASP A 172 22.684 -22.719 2.127 1.00 24.18 O ATOM 1579 CB ASP A 172 21.229 -24.218 4.684 1.00 26.40 C ATOM 1580 CG ASP A 172 21.118 -24.261 6.213 1.00 31.67 C ATOM 1581 OD1 ASP A 172 22.029 -23.750 6.882 1.00 29.82 O ATOM 1582 OD2 ASP A 172 20.130 -24.807 6.728 1.00 39.57 O ATOM 1583 H ASP A 172 19.400 -22.463 4.936 1.00 0.00 H ATOM 1584 N VAL A 173 20.446 -22.794 1.905 1.00 25.54 N ATOM 1585 CA VAL A 173 20.520 -22.702 0.440 1.00 25.76 C ATOM 1586 C VAL A 173 21.108 -21.357 0.026 1.00 26.14 C ATOM 1587 O VAL A 173 21.933 -21.271 -0.895 1.00 25.74 O ATOM 1588 CB VAL A 173 19.128 -22.942 -0.173 1.00 33.66 C ATOM 1589 CG1 VAL A 173 19.142 -22.747 -1.701 1.00 30.82 C ATOM 1590 CG2 VAL A 173 18.645 -24.362 0.186 1.00 29.77 C ATOM 1591 H VAL A 173 19.520 -22.871 2.371 1.00 0.00 H ATOM 1592 N PHE A 174 20.707 -20.292 0.715 1.00 25.02 N ATOM 1593 CA PHE A 174 21.232 -18.960 0.430 1.00 25.71 C ATOM 1594 C PHE A 174 22.745 -18.906 0.654 1.00 25.24 C ATOM 1595 O PHE A 174 23.488 -18.386 -0.175 1.00 24.25 O ATOM 1596 CB PHE A 174 20.528 -17.930 1.316 1.00 24.94 C ATOM 1597 CG PHE A 174 21.140 -16.560 1.262 1.00 27.91 C ATOM 1598 CD1 PHE A 174 20.804 -15.676 0.246 1.00 28.69 C ATOM 1599 CD2 PHE A 174 22.058 -16.155 2.218 1.00 33.88 C ATOM 1600 CE1 PHE A 174 21.371 -14.402 0.202 1.00 28.68 C ATOM 1601 CE2 PHE A 174 22.632 -14.888 2.164 1.00 34.00 C ATOM 1602 CZ PHE A 174 22.276 -14.015 1.152 1.00 27.10 C ATOM 1603 H PHE A 174 20.005 -20.411 1.473 1.00 0.00 H ATOM 1604 N VAL A 175 23.218 -19.443 1.776 1.00 23.41 N ATOM 1605 CA VAL A 175 24.655 -19.428 2.052 1.00 24.31 C ATOM 1606 C VAL A 175 25.401 -20.190 0.962 1.00 24.39 C ATOM 1607 O VAL A 175 26.422 -19.730 0.439 1.00 27.94 O ATOM 1608 CB VAL A 175 24.935 -20.016 3.450 1.00 28.75 C ATOM 1609 CG1 VAL A 175 26.421 -20.235 3.658 1.00 32.57 C ATOM 1610 CG2 VAL A 175 24.384 -19.110 4.543 1.00 26.98 C ATOM 1611 H VAL A 175 22.564 -19.875 2.459 1.00 0.00 H ATOM 1612 N GLN A 176 24.888 -21.367 0.604 1.00 22.65 N ATOM 1613 CA GLN A 176 25.505 -22.191 -0.428 1.00 23.77 C ATOM 1614 C GLN A 176 25.535 -21.472 -1.776 1.00 30.50 C ATOM 1615 O GLN A 176 26.550 -21.491 -2.480 1.00 27.02 O ATOM 1616 CB GLN A 176 24.741 -23.509 -0.518 1.00 28.30 C ATOM 1617 CG GLN A 176 25.237 -24.459 -1.571 1.00 35.55 C ATOM 1618 CD GLN A 176 24.536 -25.786 -1.460 1.00 41.91 C ATOM 1619 OE1 GLN A 176 25.024 -26.693 -0.784 1.00 44.83 O ATOM 1620 NE2 GLN A 176 23.370 -25.904 -2.108 1.00 32.60 N ATOM 1621 HE22 GLN A 176 23.002 -25.107 -2.666 1.00 0.00 H ATOM 1622 HE21 GLN A 176 22.832 -26.793 -2.054 1.00 0.00 H ATOM 1623 H GLN A 176 24.024 -21.707 1.074 1.00 0.00 H ATOM 1624 N GLN A 177 24.428 -20.830 -2.151 1.00 27.05 N ATOM 1625 CA GLN A 177 24.406 -20.109 -3.415 1.00 25.99 C ATOM 1626 C GLN A 177 25.393 -18.946 -3.399 1.00 26.24 C ATOM 1627 O GLN A 177 26.085 -18.688 -4.391 1.00 27.75 O ATOM 1628 CB GLN A 177 22.991 -19.624 -3.709 1.00 27.50 C ATOM 1629 CG GLN A 177 22.894 -18.858 -5.006 1.00 30.94 C ATOM 1630 CD GLN A 177 21.467 -18.525 -5.399 1.00 37.54 C ATOM 1631 OE1 GLN A 177 20.525 -18.760 -4.637 1.00 36.07 O ATOM 1632 NE2 GLN A 177 21.305 -17.955 -6.586 1.00 28.53 N ATOM 1633 HE22 GLN A 177 22.130 -17.777 -7.194 1.00 0.00 H ATOM 1634 HE21 GLN A 177 20.353 -17.687 -6.908 1.00 0.00 H ATOM 1635 H GLN A 177 23.584 -20.844 -1.543 1.00 0.00 H ATOM 1636 N TYR A 178 25.488 -18.247 -2.269 1.00 22.92 N ATOM 1637 CA TYR A 178 26.431 -17.144 -2.149 1.00 22.47 C ATOM 1638 C TYR A 178 27.861 -17.649 -2.283 1.00 26.96 C ATOM 1639 O TYR A 178 28.652 -17.109 -3.055 1.00 25.75 O ATOM 1640 CB TYR A 178 26.214 -16.468 -0.794 1.00 23.02 C ATOM 1641 CG TYR A 178 26.812 -15.100 -0.594 1.00 21.95 C ATOM 1642 CD1 TYR A 178 28.161 -14.948 -0.266 1.00 30.45 C ATOM 1643 CD2 TYR A 178 26.014 -13.956 -0.655 1.00 22.56 C ATOM 1644 CE1 TYR A 178 28.711 -13.688 -0.050 1.00 27.11 C ATOM 1645 CE2 TYR A 178 26.554 -12.688 -0.433 1.00 27.21 C ATOM 1646 CZ TYR A 178 27.903 -12.564 -0.128 1.00 25.57 C ATOM 1647 OH TYR A 178 28.423 -11.306 0.102 1.00 34.91 O ATOM 1648 HH TYR A 178 28.297 -10.746 -0.704 1.00 0.00 H ATOM 1649 H TYR A 178 24.880 -18.492 -1.461 1.00 0.00 H ATOM 1650 N ALA A 179 28.204 -18.708 -1.551 1.00 22.64 N ATOM 1651 CA ALA A 179 29.579 -19.194 -1.580 1.00 23.29 C ATOM 1652 C ALA A 179 29.925 -19.789 -2.937 1.00 22.25 C ATOM 1653 O ALA A 179 31.039 -19.589 -3.439 1.00 29.87 O ATOM 1654 CB ALA A 179 29.802 -20.223 -0.468 1.00 23.57 C ATOM 1655 H ALA A 179 27.494 -19.187 -0.961 1.00 0.00 H ATOM 1656 N ASP A 180 28.983 -20.519 -3.551 1.00 23.71 N ATOM 1657 CA ASP A 180 29.234 -21.081 -4.875 1.00 23.76 C ATOM 1658 C ASP A 180 29.428 -19.978 -5.907 1.00 28.62 C ATOM 1659 O ASP A 180 30.208 -20.147 -6.854 1.00 28.49 O ATOM 1660 CB ASP A 180 28.083 -21.986 -5.305 1.00 24.54 C ATOM 1661 CG ASP A 180 28.086 -23.327 -4.584 1.00 25.77 C ATOM 1662 OD1 ASP A 180 29.079 -23.634 -3.894 1.00 28.61 O ATOM 1663 OD2 ASP A 180 27.098 -24.076 -4.723 1.00 26.07 O ATOM 1664 H ASP A 180 28.070 -20.686 -3.082 1.00 0.00 H ATOM 1665 N THR A 181 28.720 -18.850 -5.748 1.00 24.35 N ATOM 1666 CA THR A 181 28.917 -17.721 -6.650 1.00 24.58 C ATOM 1667 C THR A 181 30.306 -17.117 -6.476 1.00 28.76 C ATOM 1668 O THR A 181 30.968 -16.762 -7.465 1.00 25.49 O ATOM 1669 CB THR A 181 27.843 -16.656 -6.404 1.00 25.34 C ATOM 1670 OG1 THR A 181 26.543 -17.215 -6.626 1.00 25.96 O ATOM 1671 CG2 THR A 181 28.045 -15.468 -7.334 1.00 25.52 C ATOM 1672 HG1 THR A 181 26.401 -17.973 -6.005 1.00 0.00 H ATOM 1673 H THR A 181 28.026 -18.780 -4.977 1.00 0.00 H ATOM 1674 N VAL A 182 30.750 -16.940 -5.230 1.00 26.02 N ATOM 1675 CA VAL A 182 32.106 -16.430 -5.016 1.00 25.22 C ATOM 1676 C VAL A 182 33.123 -17.345 -5.687 1.00 28.28 C ATOM 1677 O VAL A 182 34.090 -16.877 -6.293 1.00 31.55 O ATOM 1678 CB VAL A 182 32.429 -16.291 -3.517 1.00 24.06 C ATOM 1679 CG1 VAL A 182 33.871 -15.756 -3.355 1.00 25.54 C ATOM 1680 CG2 VAL A 182 31.434 -15.384 -2.807 1.00 24.90 C ATOM 1681 H VAL A 182 30.139 -17.162 -4.418 1.00 0.00 H ATOM 1682 N LYS A 183 32.959 -18.663 -5.525 1.00 27.78 N ATOM 1683 CA LYS A 183 33.895 -19.604 -6.136 1.00 27.90 C ATOM 1684 C LYS A 183 33.904 -19.439 -7.646 1.00 37.62 C ATOM 1685 O LYS A 183 34.971 -19.346 -8.269 1.00 33.46 O ATOM 1686 CB LYS A 183 33.531 -21.038 -5.748 1.00 27.96 C ATOM 1687 CG LYS A 183 34.509 -22.108 -6.278 1.00 28.20 C ATOM 1688 CD LYS A 183 34.137 -23.491 -5.728 1.00 36.52 C ATOM 1689 CE LYS A 183 35.118 -24.581 -6.151 1.00 37.20 C ATOM 1690 NZ LYS A 183 34.967 -24.966 -7.590 1.00 32.35 N ATOM 1691 HZ1 LYS A 183 34.004 -25.322 -7.753 1.00 0.00 H ATOM 1692 HZ2 LYS A 183 35.136 -24.133 -8.190 1.00 0.00 H ATOM 1693 HZ3 LYS A 183 35.657 -25.709 -7.823 1.00 0.00 H ATOM 1694 H LYS A 183 32.161 -19.020 -4.961 1.00 0.00 H ATOM 1695 N TYR A 184 32.713 -19.370 -8.244 1.00 30.33 N ATOM 1696 CA TYR A 184 32.591 -19.170 -9.687 1.00 27.34 C ATOM 1697 C TYR A 184 33.302 -17.893 -10.123 1.00 33.53 C ATOM 1698 O TYR A 184 34.091 -17.895 -11.077 1.00 33.48 O ATOM 1699 CB TYR A 184 31.114 -19.120 -10.060 1.00 27.70 C ATOM 1700 CG TYR A 184 30.833 -18.408 -11.365 1.00 32.80 C ATOM 1701 CD1 TYR A 184 31.003 -19.055 -12.585 1.00 37.62 C ATOM 1702 CD2 TYR A 184 30.370 -17.092 -11.379 1.00 33.80 C ATOM 1703 CE1 TYR A 184 30.728 -18.400 -13.782 1.00 32.60 C ATOM 1704 CE2 TYR A 184 30.107 -16.436 -12.560 1.00 35.82 C ATOM 1705 CZ TYR A 184 30.284 -17.090 -13.754 1.00 42.34 C ATOM 1706 OH TYR A 184 30.013 -16.411 -14.917 1.00 38.41 O ATOM 1707 HH TYR A 184 30.185 -17.004 -15.691 1.00 0.00 H ATOM 1708 H TYR A 184 31.851 -19.461 -7.670 1.00 0.00 H ATOM 1709 N LEU A 185 33.044 -16.789 -9.420 1.00 30.72 N ATOM 1710 CA LEU A 185 33.679 -15.526 -9.775 1.00 27.34 C ATOM 1711 C LEU A 185 35.186 -15.598 -9.586 1.00 29.46 C ATOM 1712 O LEU A 185 35.944 -15.024 -10.371 1.00 34.16 O ATOM 1713 CB LEU A 185 33.096 -14.391 -8.925 1.00 32.74 C ATOM 1714 CG LEU A 185 31.625 -14.059 -9.162 1.00 32.14 C ATOM 1715 CD1 LEU A 185 31.148 -13.054 -8.105 1.00 26.09 C ATOM 1716 CD2 LEU A 185 31.388 -13.511 -10.580 1.00 31.80 C ATOM 1717 H LEU A 185 32.387 -16.830 -8.615 1.00 0.00 H ATOM 1718 N SER A 186 35.645 -16.280 -8.533 1.00 27.33 N ATOM 1719 CA SER A 186 37.083 -16.337 -8.298 1.00 28.18 C ATOM 1720 C SER A 186 37.805 -17.094 -9.404 1.00 34.02 C ATOM 1721 O SER A 186 38.998 -16.869 -9.613 1.00 36.58 O ATOM 1722 CB SER A 186 37.381 -16.986 -6.946 1.00 29.17 C ATOM 1723 OG SER A 186 37.310 -18.400 -7.067 1.00 30.90 O ATOM 1724 HG SER A 186 36.402 -18.660 -7.363 1.00 0.00 H ATOM 1725 H SER A 186 34.986 -16.763 -7.890 1.00 0.00 H ATOM 1726 N GLU A 187 37.103 -17.979 -10.109 1.00 38.40 N ATOM 1727 CA GLU A 187 37.676 -18.794 -11.172 1.00 34.86 C ATOM 1728 C GLU A 187 37.530 -18.172 -12.556 1.00 42.16 C ATOM 1729 O GLU A 187 37.944 -18.788 -13.543 1.00 45.21 O ATOM 1730 CB GLU A 187 37.035 -20.189 -11.169 1.00 37.04 C ATOM 1731 CG GLU A 187 37.326 -20.990 -9.918 1.00 30.78 C ATOM 1732 CD GLU A 187 36.397 -22.192 -9.752 1.00 41.13 C ATOM 1733 OE1 GLU A 187 36.620 -22.992 -8.818 1.00 40.93 O ATOM 1734 OE2 GLU A 187 35.444 -22.333 -10.555 1.00 40.67 O ATOM 1735 H GLU A 187 36.093 -18.094 -9.889 1.00 0.00 H ATOM 1736 N LYS A 188 36.937 -16.991 -12.659 1.00 43.20 N ATOM 1737 CA LYS A 188 36.864 -16.288 -13.934 1.00 52.32 C ATOM 1738 C LYS A 188 38.216 -15.685 -14.284 1.00 62.45 C ATOM 1739 O LYS A 188 38.992 -15.340 -13.393 1.00 62.25 O ATOM 1740 CB LYS A 188 35.797 -15.198 -13.887 1.00 41.83 C ATOM 1741 CG LYS A 188 34.397 -15.743 -13.752 1.00 52.98 C ATOM 1742 CD LYS A 188 33.376 -14.629 -13.653 1.00 53.85 C ATOM 1743 CE LYS A 188 33.141 -13.953 -14.984 1.00 48.10 C ATOM 1744 NZ LYS A 188 32.195 -14.702 -15.868 1.00 50.63 N ATOM 1745 HZ1 LYS A 188 32.578 -15.649 -16.060 1.00 0.00 H ATOM 1746 HZ2 LYS A 188 31.274 -14.789 -15.393 1.00 0.00 H ATOM 1747 HZ3 LYS A 188 32.077 -14.186 -16.763 1.00 0.00 H ATOM 1748 H LYS A 188 36.515 -16.557 -11.813 1.00 0.00 H TER 1749 LYS A 188 HETATM 1750 O HOH 1 41.358 5.288 -5.229 1.00 38.92 O HETATM 1751 O HOH 2 35.601 -5.996 -16.122 1.00 71.24 O HETATM 1752 O HOH 3 37.987 -12.963 -10.663 1.00 49.29 O HETATM 1753 O HOH 4 34.731 -4.623 -13.469 1.00 52.09 O HETATM 1754 O HOH 5 21.701 -0.600 13.384 1.00 48.04 O HETATM 1755 O HOH 6 27.418 -27.051 -1.361 1.00 32.24 O HETATM 1756 O HOH 7 30.955 -1.019 28.661 1.00 29.65 O HETATM 1757 O HOH 8 33.485 -17.855 12.782 1.00 56.36 O HETATM 1758 O HOH 9 27.876 4.822 27.382 1.00 52.38 O HETATM 1759 O HOH 10 24.850 -23.286 -5.551 1.00 24.23 O HETATM 1760 O HOH 11 42.870 -25.927 -1.248 1.00 51.82 O HETATM 1761 O HOH 12 36.170 -16.782 8.199 1.00 38.92 O HETATM 1762 O HOH 13 45.991 2.761 29.443 1.00 55.27 O HETATM 1763 O HOH 14 41.501 -10.811 -0.209 1.00 57.43 O HETATM 1764 O HOH 15 35.617 -12.686 23.074 1.00 32.44 O HETATM 1765 O HOH 16 33.755 -12.951 18.220 1.00 33.09 O HETATM 1766 O HOH 17 22.202 -7.243 -3.773 1.00 43.73 O HETATM 1767 O HOH 18 36.521 -11.656 4.108 1.00 26.07 O HETATM 1768 O HOH 19 46.400 -8.606 22.018 1.00 51.33 O HETATM 1769 O HOH 20 37.841 -24.007 -4.185 1.00 43.64 O HETATM 1770 O HOH 21 43.168 -12.519 12.831 1.00 52.71 O HETATM 1771 O HOH 22 26.787 -5.314 -13.597 1.00 61.12 O HETATM 1772 O HOH 23 27.546 0.432 -3.041 1.00 41.20 O HETATM 1773 O HOH 24 44.073 -7.639 1.953 1.00 49.27 O HETATM 1774 O HOH 25 31.460 -10.448 10.203 1.00 32.23 O HETATM 1775 O HOH 26 28.832 -3.946 25.154 1.00 32.02 O HETATM 1776 O HOH 27 30.336 8.187 10.051 1.00 27.12 O HETATM 1777 O HOH 28 29.374 2.112 10.015 1.00 23.47 O HETATM 1778 O HOH 29 32.691 2.532 29.126 1.00 26.36 O HETATM 1779 O HOH 30 44.842 9.296 18.775 1.00 48.92 O HETATM 1780 O HOH 31 35.801 -12.936 13.128 1.00 64.76 O HETATM 1781 O HOH 32 30.001 -10.433 2.469 1.00 32.52 O HETATM 1782 O HOH 33 25.051 -13.550 23.540 1.00 66.14 O HETATM 1783 O HOH 34 33.441 -14.143 14.736 1.00 40.15 O HETATM 1784 O HOH 35 45.640 6.051 15.454 1.00 30.14 O HETATM 1785 O HOH 36 25.436 2.453 19.276 1.00 40.33 O HETATM 1786 O HOH 37 26.983 -26.690 -4.171 1.00 31.57 O HETATM 1787 O HOH 38 35.542 1.625 4.804 1.00 28.84 O HETATM 1788 O HOH 39 37.079 8.936 19.288 1.00 41.68 O HETATM 1789 O HOH 40 19.497 -6.025 13.972 1.00 34.80 O HETATM 1790 O HOH 41 10.901 -21.287 4.203 1.00 39.16 O HETATM 1791 O HOH 42 29.065 -6.508 23.987 1.00 26.81 O HETATM 1792 O HOH 43 25.850 -9.852 24.266 1.00 34.57 O HETATM 1793 O HOH 44 43.831 -10.625 -1.669 1.00 62.04 O HETATM 1794 O HOH 45 49.167 2.952 26.279 1.00 53.83 O HETATM 1795 O HOH 46 37.901 -7.569 -4.468 1.00 36.72 O HETATM 1796 O HOH 47 38.603 -22.709 -7.001 1.00 39.03 O HETATM 1797 O HOH 48 27.816 -7.630 -2.315 1.00 34.19 O HETATM 1798 O HOH 49 25.256 -21.064 7.698 1.00 30.77 O HETATM 1799 O HOH 50 29.239 1.286 29.531 1.00 58.22 O HETATM 1800 O HOH 51 21.448 -4.641 6.586 1.00 33.41 O HETATM 1801 O HOH 52 44.636 -9.297 11.361 1.00 33.25 O HETATM 1802 O HOH 53 42.621 -12.107 24.644 1.00 46.84 O HETATM 1803 O HOH 54 24.240 0.686 21.168 1.00 51.19 O HETATM 1804 O HOH 55 30.944 -21.339 10.874 1.00 55.47 O HETATM 1805 O HOH 56 19.685 -8.178 11.814 1.00 42.63 O HETATM 1806 O HOH 57 42.875 -0.067 0.555 1.00 39.74 O HETATM 1807 O HOH 58 47.269 3.250 4.462 1.00 47.32 O HETATM 1808 O HOH 59 40.032 -20.721 1.506 1.00 35.85 O HETATM 1809 O HOH 60 19.615 -3.639 26.667 1.00 33.23 O HETATM 1810 O HOH 61 30.624 -23.579 2.575 1.00 36.48 O HETATM 1811 O HOH 62 37.803 5.901 11.778 1.00 42.43 O HETATM 1812 O HOH 63 22.732 -23.732 -3.660 1.00 34.90 O HETATM 1813 O HOH 64 23.087 -19.422 -8.077 1.00 54.98 O HETATM 1814 O HOH 65 49.526 -2.223 21.271 1.00 33.59 O HETATM 1815 O HOH 66 32.674 -13.987 9.788 1.00 38.03 O HETATM 1816 O HOH 67 38.400 -13.395 24.297 1.00 41.17 O HETATM 1817 O HOH 68 37.158 1.606 28.749 1.00 37.19 O HETATM 1818 O HOH 69 26.836 -9.075 -0.211 1.00 28.31 O HETATM 1819 O HOH 70 21.854 -4.726 3.493 1.00 40.49 O HETATM 1820 O HOH 71 19.521 -2.680 17.587 1.00 35.29 O HETATM 1821 O HOH 72 39.354 -20.236 -6.808 1.00 36.55 O HETATM 1822 O HOH 73 25.634 6.436 16.435 1.00 35.00 O HETATM 1823 O HOH 74 51.817 3.967 6.482 1.00 42.56 O HETATM 1824 O HOH 75 27.133 10.689 15.525 1.00 38.00 O HETATM 1825 O HOH 76 35.731 -11.317 31.275 1.00 41.47 O HETATM 1826 O HOH 77 30.786 -22.458 -8.275 1.00 36.02 O HETATM 1827 O HOH 78 21.214 -12.737 18.316 1.00 36.24 O HETATM 1828 O HOH 79 37.851 2.965 21.927 1.00 26.31 O HETATM 1829 O HOH 80 33.955 -8.647 25.076 1.00 29.04 O HETATM 1830 O HOH 81 41.948 -7.119 29.448 1.00 34.24 O HETATM 1831 O HOH 82 44.116 -3.965 31.274 1.00 46.07 O HETATM 1832 O HOH 83 51.380 3.608 20.073 1.00 46.49 O HETATM 1833 O HOH 84 21.533 -1.471 2.493 1.00 56.54 O HETATM 1834 O HOH 85 34.276 7.428 25.085 1.00 30.60 O HETATM 1835 O HOH 86 36.363 -27.400 -7.796 1.00 38.80 O HETATM 1836 O HOH 87 31.174 -16.433 11.952 1.00 37.12 O HETATM 1837 O HOH 88 42.595 6.587 2.518 1.00 37.58 O HETATM 1838 O HOH 89 25.993 7.530 21.386 1.00 48.43 O HETATM 1839 O HOH 90 49.887 6.610 9.435 1.00 44.34 O HETATM 1840 O HOH 91 29.789 -15.929 15.005 1.00 35.73 O HETATM 1841 O HOH 92 30.407 -11.867 6.161 1.00 32.59 O HETATM 1842 O HOH 93 30.799 -2.444 26.138 1.00 30.02 O HETATM 1843 O HOH 94 26.315 -18.020 16.160 1.00 34.62 O HETATM 1844 O HOH 95 22.887 -13.591 20.559 1.00 39.74 O HETATM 1845 O HOH 96 28.492 -23.438 0.856 1.00 38.74 O HETATM 1846 O HOH 97 49.877 -0.435 16.522 1.00 30.36 O HETATM 1847 O HOH 98 30.279 -8.330 4.130 1.00 28.69 O HETATM 1848 O HOH 99 41.005 -15.586 -8.055 1.00 51.36 O HETATM 1849 O HOH 100 26.668 -2.308 -1.839 1.00 46.10 O HETATM 1850 O HOH 101 43.530 7.599 9.099 1.00 38.87 O HETATM 1851 O HOH 102 35.361 -12.621 27.565 1.00 41.58 O HETATM 1852 O HOH 103 23.243 0.985 19.216 1.00 35.89 O HETATM 1853 O HOH 104 25.246 -21.017 -7.076 1.00 34.48 O HETATM 1854 O HOH 105 32.767 8.382 22.084 1.00 48.28 O HETATM 1855 O HOH 106 33.468 10.070 18.629 1.00 46.00 O HETATM 1856 O HOH 107 29.258 -9.154 9.051 1.00 24.48 O HETATM 1857 O HOH 108 44.666 -5.307 5.338 1.00 46.26 O HETATM 1858 O HOH 109 34.417 -19.072 -13.704 1.00 42.03 O HETATM 1859 O HOH 110 39.116 -13.610 11.053 1.00 54.53 O HETATM 1860 O HOH 111 24.725 -23.300 5.915 1.00 44.52 O HETATM 1861 O HOH 112 34.330 3.897 5.167 1.00 28.12 O HETATM 1862 O HOH 113 26.554 -7.332 24.491 1.00 28.02 O HETATM 1863 O HOH 114 41.869 4.468 23.854 1.00 39.72 O HETATM 1864 O HOH 115 42.717 5.050 28.005 1.00 47.88 O HETATM 1865 O HOH 116 40.504 -8.103 7.334 1.00 29.63 O HETATM 1866 O HOH 117 49.249 -0.093 8.753 1.00 48.61 O HETATM 1867 O HOH 118 23.396 6.093 10.584 1.00 48.18 O HETATM 1868 O HOH 119 31.627 -11.536 29.024 1.00 53.14 O HETATM 1869 O HOH 120 27.699 -0.361 28.582 1.00 49.85 O HETATM 1870 O HOH 121 23.878 -0.694 3.862 1.00 39.10 O HETATM 1871 O HOH 122 24.989 -23.848 3.506 1.00 43.18 O HETATM 1872 O HOH 123 25.678 -6.618 -6.750 1.00 50.44 O HETATM 1873 O HOH 124 17.766 -18.033 -6.105 1.00 46.54 O HETATM 1874 O HOH 125 30.470 -13.755 8.062 1.00 26.77 O HETATM 1875 O HOH 126 27.481 12.582 17.317 1.00 42.65 O HETATM 1876 O HOH 127 19.583 -24.097 -12.523 1.00 44.16 O HETATM 1877 O HOH 128 26.224 8.068 9.531 1.00 28.48 O HETATM 1878 O HOH 129 26.154 -12.834 -17.948 1.00 53.44 O HETATM 1879 O HOH 130 13.632 -25.457 2.270 1.00 32.57 O HETATM 1880 O HOH 131 15.910 -20.097 -0.586 1.00 41.18 O HETATM 1881 O HOH 132 31.636 -16.423 9.177 1.00 31.50 O HETATM 1882 O HOH 133 46.477 -9.503 25.850 1.00 56.61 O HETATM 1883 O HOH 134 39.979 -9.704 9.374 1.00 38.59 O HETATM 1884 O HOH 135 43.049 -14.702 4.473 1.00 54.03 O HETATM 1885 O HOH 136 40.865 9.224 19.763 1.00 52.72 O HETATM 1886 O HOH 137 28.789 -10.986 23.014 1.00 47.40 O HETATM 1887 O HOH 138 41.994 -21.055 3.436 1.00 51.18 O HETATM 1888 O HOH 139 41.299 -13.200 15.002 1.00 33.53 O HETATM 1889 O HOH 140 22.576 -25.431 9.300 1.00 50.83 O HETATM 1890 O HOH 141 43.962 -13.529 18.984 1.00 53.96 O HETATM 1891 O HOH 142 46.367 -12.177 18.417 1.00 49.44 O HETATM 1892 O HOH 143 40.295 9.344 16.585 1.00 54.94 O HETATM 1893 O HOH 144 42.854 8.741 17.269 1.00 40.65 O HETATM 1894 O HOH 145 27.385 8.284 17.106 1.00 33.40 O HETATM 1895 O HOH 146 47.320 -2.475 30.950 1.00 46.54 O HETATM 1896 O HOH 147 45.278 3.189 -6.001 1.00 45.64 O HETATM 1897 O HOH 148 34.217 -21.410 -13.223 1.00 52.48 O HETATM 1898 O HOH 149 50.955 7.775 19.419 1.00 50.14 O HETATM 1899 O HOH 150 49.055 -9.000 19.199 1.00 60.88 O HETATM 1900 O HOH 151 26.108 -5.399 -1.961 1.00 56.02 O HETATM 1901 O HOH 152 35.181 -11.249 11.577 1.00 48.96 O HETATM 1902 O HOH 153 28.090 -22.474 9.113 1.00 43.08 O HETATM 1903 O HOH 154 43.254 6.768 24.054 1.00 42.88 O HETATM 1904 O HOH 155 41.647 -13.658 17.789 1.00 39.73 O HETATM 1905 O HOH 156 36.140 -12.511 8.534 1.00 30.80 O HETATM 1906 O HOH 157 47.859 -6.552 10.710 1.00 57.48 O HETATM 1907 O HOH 158 32.868 4.427 30.825 1.00 56.99 O HETATM 1908 O HOH 159 50.287 -0.531 19.102 1.00 43.04 O HETATM 1909 O HOH 160 22.941 -2.320 6.314 1.00 34.62 O HETATM 1910 O HOH 161 33.543 -17.688 -16.327 1.00 54.15 O HETATM 1911 O HOH 162 43.701 -9.964 4.833 1.00 60.16 O HETATM 1912 O HOH 163 37.501 3.598 30.542 1.00 49.40 O HETATM 1913 O HOH 164 26.623 -24.994 1.619 1.00 56.60 O HETATM 1914 O HOH 165 23.402 -11.032 24.902 1.00 44.37 O HETATM 1915 O HOH 166 16.207 -6.681 2.861 1.00 55.62 O HETATM 1916 O HOH 167 51.511 1.137 8.070 1.00 43.35 O HETATM 1917 O HOH 168 33.328 -8.894 11.571 1.00 30.55 O HETATM 1918 O HOH 169 48.517 5.261 24.418 1.00 47.35 O HETATM 1919 O HOH 170 31.574 -7.602 25.777 1.00 39.04 O HETATM 1920 O HOH 171 42.071 8.310 4.601 1.00 53.04 O HETATM 1921 O HOH 172 45.477 6.861 25.777 1.00 56.07 O HETATM 1922 O HOH 173 48.336 11.686 16.334 1.00 56.28 O HETATM 1923 O HOH 174 41.777 8.340 7.261 1.00 50.44 O HETATM 1924 O HOH 175 24.349 5.103 2.771 1.00 53.29 O HETATM 1925 O HOH 176 15.799 -9.102 2.562 1.00 55.93 O HETATM 1926 O HOH 177 42.220 7.361 12.565 1.00 49.22 O HETATM 1927 O HOH 178 38.026 5.189 25.936 1.00 43.94 O HETATM 1928 O HOH 179 34.354 -11.401 25.087 1.00 37.83 O HETATM 1929 O HOH 180 46.295 12.667 15.312 1.00 55.47 O HETATM 1930 O HOH 181 44.923 -10.545 23.052 1.00 48.42 O HETATM 1931 O HOH 182 20.566 -21.380 -17.714 1.00 54.42 O HETATM 1932 O HOH 183 34.425 -28.220 6.585 1.00 66.79 O HETATM 1933 O HOH 184 21.259 -1.041 16.035 1.00 50.00 O HETATM 1934 O HOH 185 30.047 8.942 20.479 1.00 51.75 O HETATM 1935 O HOH 186 31.844 -5.435 27.399 1.00 52.26 O HETATM 1936 O HOH 187 45.672 3.347 1.964 1.00 46.83 O HETATM 1937 O HOH 188 52.326 1.313 19.979 1.00 55.55 O HETATM 1938 O HOH 189 27.904 8.893 19.701 1.00 51.35 O HETATM 1939 O HOH 190 50.163 -3.289 15.966 1.00 46.20 O HETATM 1940 O HOH 191 27.747 -15.847 16.788 1.00 37.71 O HETATM 1941 O HOH 192 38.946 7.258 22.790 1.00 55.52 O HETATM 1942 O HOH 193 37.141 7.601 25.407 1.00 38.81 O HETATM 1943 O HOH 194 18.694 -3.950 6.820 1.00 42.31 O HETATM 1944 O HOH 195 17.907 -7.983 9.115 1.00 53.65 O HETATM 1945 O HOH 196 40.297 5.614 27.252 1.00 56.76 O HETATM 1946 O HOH 197 37.563 -12.801 6.230 1.00 29.40 O HETATM 1947 O HOH 198 35.557 -14.399 9.639 1.00 46.10 O HETATM 1948 O HOH 199 39.550 4.666 23.127 1.00 37.94 O HETATM 1949 O HOH 200 35.374 -15.315 21.732 1.00 54.40 O HETATM 1950 O HOH 201 32.926 -14.218 20.748 1.00 43.61 O HETATM 1951 O HOH 202 44.938 -7.774 8.768 1.00 60.14 O HETATM 1952 O HOH 203 31.599 -18.479 15.281 1.00 55.72 O HETATM 1953 O HOH 204 46.034 -4.530 32.442 1.00 55.55 O HETATM 1954 O HOH 205 46.482 -6.119 8.791 1.00 66.84 O HETATM 1955 O HOH 206 31.782 -12.361 25.288 1.00 60.60 O HETATM 1956 O HOH 207 51.525 -2.154 22.965 1.00 48.89 O HETATM 1957 O HOH 208 29.563 -9.404 6.495 1.00 38.43 O HETATM 1958 O HOH 209 37.868 -15.443 6.202 1.00 41.70 O HETATM 1959 O HOH 210 51.007 -4.507 17.639 1.00 60.77 O HETATM 1960 O HOH 211 30.293 -13.432 22.834 1.00 49.33 O HETATM 1961 O HOH 212 40.671 -16.090 18.591 1.00 55.12 O HETATM 1962 O HOH 213 48.767 -4.282 10.920 1.00 43.06 O HETATM 1963 O HOH 214 49.518 -2.599 9.142 1.00 42.88 O HETATM 1964 O HOH 215 45.521 1.113 0.626 1.00 45.45 O HETATM 1965 O HOH 216 17.735 -4.209 13.070 1.00 37.43 O HETATM 1966 O HOH 217 45.633 -8.075 -0.326 1.00 51.88 O HETATM 1967 O HOH 218 46.230 -11.496 11.901 1.00 62.31 O HETATM 1968 O HOH 219 37.676 -11.119 10.236 1.00 30.90 O HETATM 1969 O HOH 220 43.191 -7.995 6.687 1.00 37.15 O HETATM 1970 O HOH 221 35.948 -17.331 -17.590 1.00 58.52 O HETATM 1971 O HOH 222 28.210 -16.456 19.250 1.00 36.39 O HETATM 1972 O HOH 223 24.674 4.946 18.326 1.00 43.30 O HETATM 1973 O HOH 224 37.659 8.792 27.889 1.00 59.40 O HETATM 1974 C12 OVJ A 225 18.965 -11.700 3.227 1.00 0.05 C HETATM 1975 C13 OVJ A 225 19.948 -11.478 4.202 1.00 -0.05 C HETATM 1976 C14 OVJ A 225 20.028 -12.246 5.356 1.00 -0.04 C HETATM 1977 C15 OVJ A 225 19.126 -13.279 5.570 1.00 0.08 C HETATM 1978 C18 OVJ A 225 18.139 -13.530 4.635 1.00 -0.04 C HETATM 1979 C19 OVJ A 225 18.068 -12.748 3.486 1.00 -0.05 C HETATM 1980 H13 OVJ A 225 17.289 -12.957 2.762 1.00 0.05 H HETATM 1981 H12 OVJ A 225 17.426 -14.330 4.796 1.00 0.05 H HETATM 1982 O16 OVJ A 225 19.191 -14.030 6.697 1.00 -0.33 O HETATM 1983 C17 OVJ A 225 18.747 -13.320 7.824 1.00 0.06 C HETATM 1984 H9 OVJ A 225 18.816 -13.964 8.713 1.00 0.06 H HETATM 1985 H10 OVJ A 225 17.702 -13.012 7.675 1.00 0.06 H HETATM 1986 H11 OVJ A 225 19.375 -12.429 7.967 1.00 0.06 H HETATM 1987 H8 OVJ A 225 20.797 -12.038 6.091 1.00 0.05 H HETATM 1988 H1 OVJ A 225 20.668 -10.682 4.050 1.00 0.05 H HETATM 1989 N11 OVJ A 225 18.848 -10.933 2.029 1.00 -0.29 N HETATM 1990 C10 OVJ A 225 19.589 -9.778 1.567 1.00 0.05 C HETATM 1991 C20 OVJ A 225 18.998 -8.838 0.675 1.00 -0.05 C HETATM 1992 C21 OVJ A 225 19.674 -7.717 0.204 1.00 -0.08 C HETATM 1993 C22 OVJ A 225 20.978 -7.483 0.589 1.00 -0.01 C HETATM 1994 C05 OVJ A 225 22.012 -6.485 0.340 1.00 -0.02 C HETATM 1995 C04 OVJ A 225 22.010 -5.264 -0.483 1.00 0.02 C HETATM 1996 C02 OVJ A 225 21.628 -3.958 0.283 1.00 0.04 C HETATM 1997 O01 OVJ A 225 20.448 -3.862 0.674 1.00 -0.57 O HETATM 1998 O03 OVJ A 225 22.539 -3.113 0.448 1.00 -0.57 O HETATM 1999 H4 OVJ A 225 23.018 -5.132 -0.902 1.00 0.05 H HETATM 2000 H5 OVJ A 225 21.288 -5.404 -1.301 1.00 0.05 H HETATM 2001 C06 OVJ A 225 23.082 -6.908 1.083 1.00 0.07 C HETATM 2002 O07 OVJ A 225 22.829 -8.090 1.784 1.00 -0.28 O HETATM 2003 C08 OVJ A 225 21.549 -8.438 1.479 1.00 0.11 C HETATM 2004 C09 OVJ A 225 20.905 -9.559 1.957 1.00 -0.01 C HETATM 2005 H7 OVJ A 225 21.412 -10.252 2.620 1.00 0.04 H HETATM 2006 H6 OVJ A 225 24.032 -6.378 1.123 1.00 0.09 H HETATM 2007 H3 OVJ A 225 19.175 -7.026 -0.467 1.00 0.05 H HETATM 2008 H2 OVJ A 225 17.977 -9.003 0.349 1.00 0.05 H HETATM 2009 H14 OVJ A 225 18.112 -11.255 1.384 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1974 1975 1979 1989 CONECT 1975 1974 1976 1988 CONECT 1976 1975 1977 1987 CONECT 1977 1976 1978 1982 CONECT 1978 1977 1979 1981 CONECT 1979 1974 1978 1980 CONECT 1980 1979 CONECT 1981 1978 CONECT 1982 1977 1983 CONECT 1983 1982 1984 1985 1986 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1983 CONECT 1987 1976 CONECT 1988 1975 CONECT 1989 1974 1990 2009 CONECT 1990 1989 1991 2004 CONECT 1991 1990 1992 2008 CONECT 1992 1991 1993 2007 CONECT 1993 1992 1994 2003 CONECT 1994 1993 1995 2001 CONECT 1995 1994 1996 1999 2000 CONECT 1996 1995 1997 1998 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1995 CONECT 2000 1995 CONECT 2001 1994 2002 2006 CONECT 2002 2001 2003 CONECT 2003 1993 2002 2004 CONECT 2004 1990 2003 2005 CONECT 2005 2004 CONECT 2006 2001 CONECT 2007 1992 CONECT 2008 1991 CONECT 2009 1989 MASTER 0 0 0 0 0 0 0 0 2008 1 40 15 END
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Related entries of code: 6poq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
189aa, >2NDO_1|Chain... at 99%
4tky
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PDBbind
191aa, >4TKY_1|Chains... *
4wet
RCSB PDB
PDBbind
189aa, >4WET_1|Chains... at 99%
4wey
RCSB PDB
PDBbind
189aa, >4WEY_1|Chains... at 99%
4wf4
RCSB PDB
PDBbind
189aa, >4WF4_1|Chains... at 99%
4zij
RCSB PDB
PDBbind
188aa, >4ZIJ_1|Chains... at 99%
6pvz
RCSB PDB
PDBbind
189aa, >6PVZ_1|Chains... at 99%
6pvy
RCSB PDB
PDBbind
189aa, >6PVY_1|Chains... at 99%
6poi
RCSB PDB
PDBbind
189aa, >6POI_1|Chains... at 99%
6poh
RCSB PDB
PDBbind
189aa, >6POH_1|Chains... at 99%
6pml
RCSB PDB
PDBbind
189aa, >6PML_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6poq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Thiol:disulfide interchange protein DsbA
Ligand Name
OVJ
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=2700uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Molecules Vol. 24: pp. 3756
Ligand Properties
Formula
C
1
7
H
1
5
NO
4
Molecular Weight
297.305
Exact Mass
297.100
No. of atoms
37
No. of bonds
39
Polar Surface Area
71.7
LOGP Value
4.74 (
Computed with XLOGP3
)
3.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1)Nc1ccc2c(c1)occ2CC(=O)O
InChI String
InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0AEG4
Entrez Gene ID
NCBI Entrez Gene ID:
61755786
948353
ASD
Information of known allosteric effects of PDB entries
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