Browse entries in the PDBbind-CN Database
HEADER 6PML_COMPLEX COMPND 6PML_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 OR A 4 34 SSBOND 1 CYS A 30 CYS A 33 ATOM 1 N ALA A 1 35.928 17.226 -19.356 1.00 42.29 N ATOM 2 CA ALA A 1 34.987 17.944 -18.505 1.00 41.11 C ATOM 3 C ALA A 1 35.552 18.117 -17.100 1.00 37.32 C ATOM 4 O ALA A 1 36.478 17.410 -16.701 1.00 43.05 O ATOM 5 CB ALA A 1 33.653 17.216 -18.456 1.00 42.70 C ATOM 6 HN3 ALA A 1 36.113 16.286 -18.950 1.00 0.00 H ATOM 7 HN2 ALA A 1 36.818 17.761 -19.415 1.00 0.00 H ATOM 8 HN1 ALA A 1 35.522 17.120 -20.308 1.00 0.00 H ATOM 9 N GLN A 2 34.988 19.065 -16.350 1.00 31.35 N ATOM 10 CA GLN A 2 35.456 19.300 -14.988 1.00 30.81 C ATOM 11 C GLN A 2 35.053 18.159 -14.061 1.00 36.52 C ATOM 12 O GLN A 2 35.828 17.762 -13.184 1.00 28.87 O ATOM 13 CB GLN A 2 34.921 20.637 -14.480 1.00 29.54 C ATOM 14 CG GLN A 2 35.411 21.831 -15.287 1.00 31.87 C ATOM 15 CD GLN A 2 36.773 22.320 -14.830 1.00 33.61 C ATOM 16 OE1 GLN A 2 37.285 21.890 -13.795 1.00 35.18 O ATOM 17 NE2 GLN A 2 37.367 23.222 -15.600 1.00 31.48 N ATOM 18 HE22 GLN A 2 36.898 23.557 -16.465 1.00 0.00 H ATOM 19 HE21 GLN A 2 38.302 23.594 -15.338 1.00 0.00 H ATOM 20 H GLN A 2 34.212 19.639 -16.737 1.00 0.00 H ATOM 21 N TYR A 3 33.847 17.625 -14.234 1.00 29.19 N ATOM 22 CA TYR A 3 33.416 16.414 -13.548 1.00 28.61 C ATOM 23 C TYR A 3 33.444 15.268 -14.553 1.00 30.34 C ATOM 24 O TYR A 3 32.843 15.368 -15.629 1.00 36.17 O ATOM 25 CB TYR A 3 32.017 16.576 -12.954 1.00 27.76 C ATOM 26 CG TYR A 3 31.903 17.618 -11.858 1.00 26.70 C ATOM 27 CD1 TYR A 3 32.256 17.322 -10.546 1.00 25.72 C ATOM 28 CD2 TYR A 3 31.421 18.892 -12.134 1.00 26.81 C ATOM 29 CE1 TYR A 3 32.143 18.271 -9.542 1.00 28.03 C ATOM 30 CE2 TYR A 3 31.304 19.844 -11.138 1.00 28.07 C ATOM 31 CZ TYR A 3 31.667 19.529 -9.845 1.00 27.43 C ATOM 32 OH TYR A 3 31.550 20.478 -8.856 1.00 26.76 O ATOM 33 HH TYR A 3 31.850 20.094 -7.994 1.00 0.00 H ATOM 34 H TYR A 3 33.184 18.091 -14.886 1.00 0.00 H ATOM 35 N GLU A 4 34.138 14.189 -14.208 1.00 35.68 N ATOM 36 CA GLU A 4 34.368 13.092 -15.135 1.00 38.38 C ATOM 37 C GLU A 4 34.116 11.758 -14.453 1.00 35.75 C ATOM 38 O GLU A 4 34.440 11.578 -13.275 1.00 36.75 O ATOM 39 CB GLU A 4 35.798 13.124 -15.685 1.00 40.36 C ATOM 40 CG GLU A 4 35.895 13.461 -17.160 1.00 55.05 C ATOM 41 CD GLU A 4 37.282 13.929 -17.550 1.00 63.23 C ATOM 42 OE1 GLU A 4 37.392 14.758 -18.479 1.00 68.65 O ATOM 43 OE2 GLU A 4 38.260 13.472 -16.922 1.00 63.21 O ATOM 44 H GLU A 4 34.529 14.127 -13.246 1.00 0.00 H ATOM 45 N ASP A 5 33.535 10.830 -15.207 1.00 38.77 N ATOM 46 CA ASP A 5 33.378 9.461 -14.738 1.00 40.09 C ATOM 47 C ASP A 5 34.737 8.863 -14.399 1.00 42.98 C ATOM 48 O ASP A 5 35.655 8.865 -15.224 1.00 42.67 O ATOM 49 CB ASP A 5 32.683 8.623 -15.809 1.00 44.18 C ATOM 50 CG ASP A 5 32.018 7.389 -15.243 1.00 55.73 C ATOM 51 OD1 ASP A 5 32.542 6.822 -14.262 1.00 56.32 O ATOM 52 OD2 ASP A 5 30.970 6.984 -15.786 1.00 60.22 O ATOM 53 H ASP A 5 33.185 11.088 -16.152 1.00 0.00 H ATOM 54 N GLY A 6 34.863 8.352 -13.177 1.00 38.07 N ATOM 55 CA GLY A 6 36.102 7.776 -12.704 1.00 38.82 C ATOM 56 C GLY A 6 36.960 8.717 -11.887 1.00 49.96 C ATOM 57 O GLY A 6 37.913 8.258 -11.245 1.00 55.76 O ATOM 58 H GLY A 6 34.041 8.367 -12.540 1.00 0.00 H ATOM 59 N LYS A 7 36.655 10.013 -11.892 1.00 44.87 N ATOM 60 CA LYS A 7 37.407 10.978 -11.100 1.00 49.03 C ATOM 61 C LYS A 7 36.668 11.290 -9.805 1.00 40.53 C ATOM 62 O LYS A 7 36.966 10.705 -8.759 1.00 39.32 O ATOM 63 CB LYS A 7 37.656 12.256 -11.904 1.00 53.17 C ATOM 64 CG LYS A 7 38.618 13.229 -11.240 1.00 55.86 C ATOM 65 H LYS A 7 35.861 10.345 -12.475 1.00 0.00 H ATOM 66 N GLN A 8 35.700 12.206 -9.860 1.00 31.43 N ATOM 67 CA GLN A 8 34.914 12.523 -8.675 1.00 31.47 C ATOM 68 C GLN A 8 33.795 11.521 -8.430 1.00 30.59 C ATOM 69 O GLN A 8 33.293 11.435 -7.304 1.00 29.88 O ATOM 70 CB GLN A 8 34.319 13.930 -8.786 1.00 33.92 C ATOM 71 CG GLN A 8 35.342 15.026 -9.026 1.00 31.88 C ATOM 72 CD GLN A 8 35.491 15.358 -10.495 1.00 38.87 C ATOM 73 OE1 GLN A 8 35.383 14.482 -11.352 1.00 28.79 O ATOM 74 NE2 GLN A 8 35.741 16.629 -10.796 1.00 46.02 N ATOM 75 HE22 GLN A 8 35.824 17.336 -10.038 1.00 0.00 H ATOM 76 HE21 GLN A 8 35.853 16.916 -11.789 1.00 0.00 H ATOM 77 H GLN A 8 35.505 12.698 -10.755 1.00 0.00 H ATOM 78 N TYR A 9 33.394 10.766 -9.450 1.00 27.76 N ATOM 79 CA TYR A 9 32.296 9.825 -9.309 1.00 32.68 C ATOM 80 C TYR A 9 32.500 8.667 -10.274 1.00 36.01 C ATOM 81 O TYR A 9 33.303 8.742 -11.209 1.00 36.70 O ATOM 82 CB TYR A 9 30.941 10.499 -9.565 1.00 32.08 C ATOM 83 CG TYR A 9 30.713 10.897 -11.010 1.00 27.95 C ATOM 84 CD1 TYR A 9 31.252 12.071 -11.523 1.00 27.20 C ATOM 85 CD2 TYR A 9 29.959 10.094 -11.860 1.00 28.01 C ATOM 86 CE1 TYR A 9 31.046 12.435 -12.846 1.00 30.60 C ATOM 87 CE2 TYR A 9 29.749 10.448 -13.180 1.00 35.64 C ATOM 88 CZ TYR A 9 30.294 11.619 -13.667 1.00 35.77 C ATOM 89 OH TYR A 9 30.084 11.971 -14.981 1.00 44.11 O ATOM 90 HH TYR A 9 30.539 12.830 -15.168 1.00 0.00 H ATOM 91 H TYR A 9 33.877 10.851 -10.367 1.00 0.00 H ATOM 92 N THR A 10 31.767 7.587 -10.025 1.00 39.35 N ATOM 93 CA THR A 10 31.663 6.471 -10.950 1.00 42.95 C ATOM 94 C THR A 10 30.191 6.226 -11.260 1.00 38.40 C ATOM 95 O THR A 10 29.300 6.670 -10.529 1.00 33.09 O ATOM 96 CB THR A 10 32.313 5.197 -10.384 1.00 44.25 C ATOM 97 OG1 THR A 10 31.690 4.845 -9.144 1.00 39.80 O ATOM 98 CG2 THR A 10 33.801 5.412 -10.152 1.00 43.28 C ATOM 99 HG1 THR A 10 31.803 5.586 -8.497 1.00 0.00 H ATOM 100 H THR A 10 31.244 7.538 -9.127 1.00 0.00 H ATOM 101 N THR A 11 29.936 5.529 -12.361 1.00 42.04 N ATOM 102 CA THR A 11 28.579 5.275 -12.820 1.00 49.65 C ATOM 103 C THR A 11 28.257 3.793 -12.685 1.00 47.83 C ATOM 104 O THR A 11 29.070 2.935 -13.041 1.00 52.45 O ATOM 105 CB THR A 11 28.390 5.725 -14.272 1.00 46.94 C ATOM 106 OG1 THR A 11 28.961 7.027 -14.445 1.00 45.87 O ATOM 107 CG2 THR A 11 26.913 5.781 -14.623 1.00 42.08 C ATOM 108 HG1 THR A 11 28.839 7.318 -15.383 1.00 0.00 H ATOM 109 H THR A 11 30.733 5.152 -12.913 1.00 0.00 H ATOM 110 N LEU A 12 27.067 3.501 -12.164 1.00 46.33 N ATOM 111 CA LEU A 12 26.666 2.121 -11.921 1.00 51.59 C ATOM 112 C LEU A 12 26.382 1.419 -13.243 1.00 60.04 C ATOM 113 O LEU A 12 25.535 1.866 -14.023 1.00 53.39 O ATOM 114 CB LEU A 12 25.437 2.081 -11.017 1.00 47.65 C ATOM 115 CG LEU A 12 25.674 2.404 -9.540 1.00 46.58 C ATOM 116 CD1 LEU A 12 24.366 2.373 -8.765 1.00 36.78 C ATOM 117 CD2 LEU A 12 26.684 1.439 -8.939 1.00 49.43 C ATOM 118 H LEU A 12 26.411 4.272 -11.926 1.00 0.00 H ATOM 119 N GLU A 13 27.093 0.315 -13.493 1.00 64.83 N ATOM 120 CA GLU A 13 26.832 -0.477 -14.689 1.00 68.39 C ATOM 121 C GLU A 13 25.441 -1.096 -14.667 1.00 66.05 C ATOM 122 O GLU A 13 24.929 -1.483 -15.723 1.00 75.22 O ATOM 123 CB GLU A 13 27.892 -1.570 -14.839 1.00 69.89 C ATOM 124 H GLU A 13 27.837 0.019 -12.830 1.00 0.00 H ATOM 125 N LYS A 14 24.822 -1.196 -13.492 1.00 62.76 N ATOM 126 CA LYS A 14 23.441 -1.650 -13.349 1.00 65.51 C ATOM 127 C LYS A 14 22.707 -0.617 -12.508 1.00 57.65 C ATOM 128 O LYS A 14 22.723 -0.683 -11.270 1.00 47.64 O ATOM 129 CB LYS A 14 23.373 -3.040 -12.718 1.00 68.79 C ATOM 130 H LYS A 14 25.348 -0.938 -12.633 1.00 0.00 H ATOM 131 N PRO A 15 22.080 0.376 -13.142 1.00 57.46 N ATOM 132 CA PRO A 15 21.341 1.389 -12.379 1.00 58.52 C ATOM 133 C PRO A 15 20.272 0.760 -11.496 1.00 58.56 C ATOM 134 O PRO A 15 19.726 -0.303 -11.800 1.00 63.82 O ATOM 135 CB PRO A 15 20.713 2.277 -13.463 1.00 60.88 C ATOM 136 CG PRO A 15 21.176 1.730 -14.791 1.00 60.52 C ATOM 137 CD PRO A 15 22.288 0.773 -14.543 1.00 60.39 C ATOM 138 N VAL A 16 19.981 1.435 -10.387 1.00 52.43 N ATOM 139 CA VAL A 16 19.037 0.953 -9.385 1.00 50.64 C ATOM 140 C VAL A 16 17.789 1.822 -9.464 1.00 52.85 C ATOM 141 O VAL A 16 17.819 3.005 -9.101 1.00 50.11 O ATOM 142 CB VAL A 16 19.641 0.977 -7.974 1.00 48.81 C ATOM 143 CG1 VAL A 16 18.575 0.654 -6.935 1.00 39.54 C ATOM 144 CG2 VAL A 16 20.804 -0.001 -7.879 1.00 53.84 C ATOM 145 H VAL A 16 20.449 2.350 -10.227 1.00 0.00 H ATOM 146 N ALA A 17 16.689 1.238 -9.928 1.00 63.28 N ATOM 147 CA ALA A 17 15.434 1.964 -10.047 1.00 61.96 C ATOM 148 C ALA A 17 14.770 2.130 -8.686 1.00 61.34 C ATOM 149 O ALA A 17 14.852 1.255 -7.818 1.00 68.65 O ATOM 150 CB ALA A 17 14.487 1.242 -11.006 1.00 67.76 C ATOM 151 H ALA A 17 16.726 0.238 -10.213 1.00 0.00 H ATOM 152 N GLY A 18 14.105 3.270 -8.506 1.00 58.01 N ATOM 153 CA GLY A 18 13.373 3.535 -7.283 1.00 60.75 C ATOM 154 C GLY A 18 14.220 3.831 -6.067 1.00 69.82 C ATOM 155 O GLY A 18 13.680 3.907 -4.959 1.00 76.23 O ATOM 156 H GLY A 18 14.111 3.986 -9.260 1.00 0.00 H ATOM 157 N ALA A 19 15.527 4.006 -6.238 1.00 72.44 N ATOM 158 CA ALA A 19 16.410 4.268 -5.118 1.00 66.31 C ATOM 159 C ALA A 19 16.164 5.668 -4.557 1.00 54.09 C ATOM 160 O ALA A 19 15.587 6.526 -5.230 1.00 53.63 O ATOM 161 CB ALA A 19 17.865 4.117 -5.556 1.00 68.04 C ATOM 162 H ALA A 19 15.925 3.954 -7.197 1.00 0.00 H ATOM 163 N PRO A 20 16.575 5.917 -3.314 1.00 54.06 N ATOM 164 CA PRO A 20 16.489 7.275 -2.767 1.00 49.19 C ATOM 165 C PRO A 20 17.389 8.240 -3.524 1.00 46.89 C ATOM 166 O PRO A 20 18.364 7.854 -4.171 1.00 54.51 O ATOM 167 CB PRO A 20 16.953 7.115 -1.313 1.00 46.79 C ATOM 168 CG PRO A 20 16.869 5.657 -1.023 1.00 51.56 C ATOM 169 CD PRO A 20 17.055 4.944 -2.318 1.00 53.85 C ATOM 170 N GLN A 21 17.037 9.525 -3.432 1.00 36.98 N ATOM 171 CA GLN A 21 17.797 10.564 -4.119 1.00 40.14 C ATOM 172 C GLN A 21 19.248 10.580 -3.651 1.00 39.91 C ATOM 173 O GLN A 21 20.178 10.467 -4.457 1.00 34.43 O ATOM 174 CB GLN A 21 17.138 11.928 -3.897 1.00 39.65 C ATOM 175 H GLN A 21 16.208 9.789 -2.862 1.00 0.00 H ATOM 176 N VAL A 22 19.461 10.712 -2.344 1.00 32.65 N ATOM 177 CA VAL A 22 20.792 10.655 -1.752 1.00 26.41 C ATOM 178 C VAL A 22 20.807 9.515 -0.744 1.00 26.11 C ATOM 179 O VAL A 22 20.072 9.546 0.251 1.00 25.43 O ATOM 180 CB VAL A 22 21.186 11.985 -1.093 1.00 32.27 C ATOM 181 CG1 VAL A 22 22.502 11.833 -0.342 1.00 22.40 C ATOM 182 CG2 VAL A 22 21.299 13.072 -2.147 1.00 34.46 C ATOM 183 H VAL A 22 18.644 10.862 -1.719 1.00 0.00 H ATOM 184 N LEU A 23 21.639 8.510 -1.006 1.00 20.29 N ATOM 185 CA LEU A 23 21.697 7.301 -0.194 1.00 22.67 C ATOM 186 C LEU A 23 23.124 7.107 0.292 1.00 22.68 C ATOM 187 O LEU A 23 24.035 6.915 -0.519 1.00 21.77 O ATOM 188 CB LEU A 23 21.231 6.084 -0.998 1.00 23.36 C ATOM 189 CG LEU A 23 21.201 4.730 -0.290 1.00 26.76 C ATOM 190 CD1 LEU A 23 20.234 4.751 0.886 1.00 20.98 C ATOM 191 CD2 LEU A 23 20.824 3.646 -1.280 1.00 24.43 C ATOM 192 H LEU A 23 22.275 8.591 -1.825 1.00 0.00 H ATOM 193 N GLU A 24 23.315 7.152 1.606 1.00 19.23 N ATOM 194 CA GLU A 24 24.619 6.947 2.220 1.00 18.04 C ATOM 195 C GLU A 24 24.652 5.621 2.967 1.00 24.61 C ATOM 196 O GLU A 24 23.663 5.224 3.591 1.00 19.36 O ATOM 197 CB GLU A 24 24.961 8.080 3.190 1.00 23.15 C ATOM 198 CG GLU A 24 25.211 9.410 2.530 1.00 21.52 C ATOM 199 CD GLU A 24 25.573 10.486 3.534 1.00 25.12 C ATOM 200 OE1 GLU A 24 24.650 11.060 4.148 1.00 25.86 O ATOM 201 OE2 GLU A 24 26.782 10.753 3.709 1.00 20.60 O ATOM 202 H GLU A 24 22.499 7.342 2.222 1.00 0.00 H ATOM 203 N PHE A 25 25.798 4.949 2.907 1.00 19.14 N ATOM 204 CA PHE A 25 26.045 3.722 3.650 1.00 21.16 C ATOM 205 C PHE A 25 27.251 3.921 4.554 1.00 18.94 C ATOM 206 O PHE A 25 28.248 4.524 4.147 1.00 17.58 O ATOM 207 CB PHE A 25 26.302 2.539 2.717 1.00 18.72 C ATOM 208 CG PHE A 25 25.091 2.087 1.952 1.00 24.64 C ATOM 209 CD1 PHE A 25 24.153 1.254 2.540 1.00 19.39 C ATOM 210 CD2 PHE A 25 24.901 2.482 0.639 1.00 26.10 C ATOM 211 CE1 PHE A 25 23.041 0.828 1.832 1.00 26.25 C ATOM 212 CE2 PHE A 25 23.793 2.061 -0.075 1.00 22.78 C ATOM 213 CZ PHE A 25 22.862 1.234 0.522 1.00 23.04 C ATOM 214 H PHE A 25 26.556 5.319 2.298 1.00 0.00 H ATOM 215 N PHE A 26 27.160 3.411 5.777 1.00 16.99 N ATOM 216 CA PHE A 26 28.249 3.560 6.729 1.00 16.72 C ATOM 217 C PHE A 26 28.274 2.357 7.656 1.00 16.63 C ATOM 218 O PHE A 26 27.360 1.530 7.668 1.00 16.69 O ATOM 219 CB PHE A 26 28.110 4.854 7.536 1.00 16.24 C ATOM 220 CG PHE A 26 27.135 4.752 8.670 1.00 18.50 C ATOM 221 CD1 PHE A 26 25.772 4.710 8.424 1.00 19.38 C ATOM 222 CD2 PHE A 26 27.579 4.690 9.983 1.00 19.85 C ATOM 223 CE1 PHE A 26 24.869 4.611 9.463 1.00 17.18 C ATOM 224 CE2 PHE A 26 26.680 4.594 11.029 1.00 21.92 C ATOM 225 CZ PHE A 26 25.324 4.556 10.771 1.00 15.23 C ATOM 226 H PHE A 26 26.299 2.899 6.057 1.00 0.00 H ATOM 227 N SER A 27 29.348 2.271 8.437 1.00 18.35 N ATOM 228 CA SER A 27 29.465 1.316 9.527 1.00 16.51 C ATOM 229 C SER A 27 30.098 2.019 10.716 1.00 19.26 C ATOM 230 O SER A 27 30.987 2.858 10.548 1.00 16.47 O ATOM 231 CB SER A 27 30.310 0.095 9.139 1.00 17.14 C ATOM 232 OG SER A 27 30.715 -0.631 10.294 1.00 22.20 O ATOM 233 HG SER A 27 29.913 -0.941 10.785 1.00 0.00 H ATOM 234 H SER A 27 30.142 2.918 8.259 1.00 0.00 H ATOM 235 N PHE A 28 29.636 1.680 11.918 1.00 17.64 N ATOM 236 CA PHE A 28 30.264 2.233 13.110 1.00 20.24 C ATOM 237 C PHE A 28 31.659 1.669 13.350 1.00 21.39 C ATOM 238 O PHE A 28 32.373 2.192 14.212 1.00 20.04 O ATOM 239 CB PHE A 28 29.376 1.997 14.334 1.00 16.15 C ATOM 240 CG PHE A 28 28.124 2.838 14.348 1.00 18.43 C ATOM 241 CD1 PHE A 28 28.190 4.204 14.569 1.00 16.05 C ATOM 242 CD2 PHE A 28 26.882 2.257 14.141 1.00 19.27 C ATOM 243 CE1 PHE A 28 27.037 4.977 14.581 1.00 15.04 C ATOM 244 CE2 PHE A 28 25.730 3.020 14.152 1.00 20.13 C ATOM 245 CZ PHE A 28 25.808 4.384 14.374 1.00 20.84 C ATOM 246 H PHE A 28 28.833 1.025 12.005 1.00 0.00 H ATOM 247 N PHE A 29 32.062 0.625 12.618 1.00 16.89 N ATOM 248 CA PHE A 29 33.435 0.129 12.637 1.00 22.81 C ATOM 249 C PHE A 29 34.327 0.812 11.610 1.00 23.11 C ATOM 250 O PHE A 29 35.534 0.555 11.590 1.00 22.21 O ATOM 251 CB PHE A 29 33.472 -1.380 12.366 1.00 18.00 C ATOM 252 CG PHE A 29 33.096 -2.220 13.540 1.00 24.59 C ATOM 253 CD1 PHE A 29 34.040 -2.573 14.493 1.00 25.81 C ATOM 254 CD2 PHE A 29 31.797 -2.670 13.688 1.00 21.45 C ATOM 255 CE1 PHE A 29 33.690 -3.358 15.573 1.00 22.79 C ATOM 256 CE2 PHE A 29 31.442 -3.455 14.764 1.00 17.26 C ATOM 257 CZ PHE A 29 32.389 -3.799 15.709 1.00 26.10 C ATOM 258 H PHE A 29 31.368 0.146 12.009 1.00 0.00 H ATOM 259 N CYS A 30 33.761 1.670 10.769 1.00 18.04 N ATOM 260 CA CYS A 30 34.452 2.229 9.612 1.00 18.25 C ATOM 261 C CYS A 30 35.150 3.533 9.986 1.00 18.38 C ATOM 262 O CYS A 30 34.476 4.493 10.383 1.00 20.88 O ATOM 263 CB CYS A 30 33.452 2.443 8.485 1.00 17.97 C ATOM 264 SG CYS A 30 33.799 3.694 7.250 1.00 23.60 S ATOM 265 H CYS A 30 32.777 1.958 10.944 1.00 0.00 H ATOM 266 N PRO A 31 36.485 3.607 9.886 1.00 19.19 N ATOM 267 CA PRO A 31 37.215 4.801 10.346 1.00 19.71 C ATOM 268 C PRO A 31 36.895 6.075 9.577 1.00 20.01 C ATOM 269 O PRO A 31 36.693 7.133 10.180 1.00 19.15 O ATOM 270 CB PRO A 31 38.684 4.399 10.154 1.00 23.65 C ATOM 271 CG PRO A 31 38.673 2.913 10.218 1.00 29.60 C ATOM 272 CD PRO A 31 37.392 2.490 9.570 1.00 24.05 C ATOM 273 N HIS A 32 36.874 6.002 8.245 1.00 21.22 N ATOM 274 CA HIS A 32 36.511 7.180 7.466 1.00 19.69 C ATOM 275 C HIS A 32 35.079 7.615 7.753 1.00 24.81 C ATOM 276 O HIS A 32 34.777 8.812 7.712 1.00 22.04 O ATOM 277 CB HIS A 32 36.709 6.917 5.970 1.00 23.22 C ATOM 278 CG HIS A 32 38.130 7.051 5.513 1.00 40.32 C ATOM 279 ND1 HIS A 32 38.735 6.139 4.673 1.00 47.76 N ATOM 280 CD2 HIS A 32 39.068 7.989 5.785 1.00 45.45 C ATOM 281 CE1 HIS A 32 39.981 6.515 4.443 1.00 48.35 C ATOM 282 NE2 HIS A 32 40.208 7.633 5.107 1.00 48.73 N ATOM 283 H HIS A 32 37.115 5.111 7.766 1.00 0.00 H ATOM 284 N CYS A 33 34.192 6.668 8.075 1.00 22.59 N ATOM 285 CA CYS A 33 32.832 7.030 8.461 1.00 17.24 C ATOM 286 C CYS A 33 32.834 7.836 9.754 1.00 29.56 C ATOM 287 O CYS A 33 32.057 8.786 9.911 1.00 23.35 O ATOM 288 CB CYS A 33 31.981 5.767 8.614 1.00 19.51 C ATOM 289 SG CYS A 33 31.997 4.655 7.161 1.00 22.41 S ATOM 290 H CYS A 33 34.473 5.667 8.050 1.00 0.00 H ATOM 291 N TYR A 34 33.694 7.449 10.701 1.00 19.71 N ATOM 292 CA TYR A 34 33.893 8.225 11.923 1.00 21.36 C ATOM 293 C TYR A 34 34.280 9.660 11.597 1.00 23.85 C ATOM 294 O TYR A 34 33.702 10.612 12.136 1.00 19.68 O ATOM 295 CB TYR A 34 34.976 7.559 12.777 1.00 21.56 C ATOM 296 CG TYR A 34 35.148 8.105 14.181 1.00 24.84 C ATOM 297 CD1 TYR A 34 35.847 9.287 14.416 1.00 30.80 C ATOM 298 CD2 TYR A 34 34.645 7.415 15.275 1.00 27.20 C ATOM 299 CE1 TYR A 34 36.012 9.777 15.705 1.00 27.44 C ATOM 300 CE2 TYR A 34 34.808 7.894 16.562 1.00 26.52 C ATOM 301 CZ TYR A 34 35.491 9.072 16.773 1.00 29.39 C ATOM 302 OH TYR A 34 35.648 9.543 18.057 1.00 24.76 O ATOM 303 HH TYR A 34 34.758 9.700 18.461 1.00 0.00 H ATOM 304 H TYR A 34 34.236 6.572 10.565 1.00 0.00 H ATOM 305 N GLN A 35 35.268 9.832 10.714 1.00 21.22 N ATOM 306 CA GLN A 35 35.656 11.173 10.291 1.00 20.32 C ATOM 307 C GLN A 35 34.499 11.885 9.601 1.00 18.40 C ATOM 308 O GLN A 35 34.236 13.061 9.874 1.00 20.31 O ATOM 309 CB GLN A 35 36.873 11.110 9.364 1.00 26.75 C ATOM 310 CG GLN A 35 37.967 10.137 9.808 1.00 45.37 C ATOM 311 CD GLN A 35 38.820 10.668 10.953 1.00 58.58 C ATOM 312 OE1 GLN A 35 38.664 11.811 11.383 1.00 65.53 O ATOM 313 NE2 GLN A 35 39.724 9.831 11.455 1.00 56.12 N ATOM 314 HE22 GLN A 35 39.822 8.874 11.061 1.00 0.00 H ATOM 315 HE21 GLN A 35 40.333 10.134 12.242 1.00 0.00 H ATOM 316 H GLN A 35 35.764 9.004 10.326 1.00 0.00 H ATOM 317 N PHE A 36 33.788 11.180 8.711 1.00 18.28 N ATOM 318 CA PHE A 36 32.668 11.781 7.990 1.00 21.61 C ATOM 319 C PHE A 36 31.630 12.349 8.944 1.00 28.13 C ATOM 320 O PHE A 36 30.966 13.340 8.620 1.00 22.12 O ATOM 321 CB PHE A 36 32.013 10.747 7.068 1.00 21.82 C ATOM 322 CG PHE A 36 32.588 10.710 5.681 1.00 17.75 C ATOM 323 CD1 PHE A 36 33.932 10.955 5.465 1.00 21.11 C ATOM 324 CD2 PHE A 36 31.781 10.414 4.592 1.00 23.24 C ATOM 325 CE1 PHE A 36 34.461 10.917 4.186 1.00 24.90 C ATOM 326 CE2 PHE A 36 32.303 10.372 3.316 1.00 18.25 C ATOM 327 CZ PHE A 36 33.645 10.624 3.112 1.00 22.56 C ATOM 328 H PHE A 36 34.038 10.187 8.530 1.00 0.00 H ATOM 329 N GLU A 37 31.478 11.740 10.118 1.00 25.82 N ATOM 330 CA GLU A 37 30.480 12.177 11.087 1.00 25.83 C ATOM 331 C GLU A 37 31.009 13.286 11.995 1.00 21.59 C ATOM 332 O GLU A 37 30.401 14.355 12.094 1.00 24.46 O ATOM 333 CB GLU A 37 30.009 10.982 11.922 1.00 23.64 C ATOM 334 CG GLU A 37 29.067 11.361 13.047 1.00 26.33 C ATOM 335 CD GLU A 37 27.800 12.018 12.540 1.00 33.29 C ATOM 336 OE1 GLU A 37 27.283 11.578 11.493 1.00 25.25 O ATOM 337 OE2 GLU A 37 27.326 12.978 13.184 1.00 33.94 O ATOM 338 H GLU A 37 32.088 10.930 10.350 1.00 0.00 H ATOM 339 N GLU A 38 32.142 13.047 12.659 1.00 22.75 N ATOM 340 CA GLU A 38 32.602 13.948 13.714 1.00 25.81 C ATOM 341 C GLU A 38 33.450 15.092 13.176 1.00 23.71 C ATOM 342 O GLU A 38 33.383 16.213 13.697 1.00 27.61 O ATOM 343 CB GLU A 38 33.404 13.169 14.757 1.00 32.96 C ATOM 344 CG GLU A 38 32.613 12.116 15.497 1.00 32.90 C ATOM 345 CD GLU A 38 33.117 11.910 16.909 1.00 43.60 C ATOM 346 OE1 GLU A 38 33.943 12.723 17.379 1.00 36.93 O ATOM 347 OE2 GLU A 38 32.686 10.931 17.547 1.00 43.95 O ATOM 348 H GLU A 38 32.706 12.206 12.422 1.00 0.00 H ATOM 349 N VAL A 39 34.247 14.828 12.148 1.00 24.64 N ATOM 350 CA VAL A 39 35.293 15.744 11.715 1.00 27.32 C ATOM 351 C VAL A 39 34.884 16.534 10.478 1.00 29.80 C ATOM 352 O VAL A 39 35.207 17.718 10.357 1.00 24.40 O ATOM 353 CB VAL A 39 36.588 14.943 11.467 1.00 33.77 C ATOM 354 CG1 VAL A 39 37.669 15.821 10.908 1.00 40.75 C ATOM 355 CG2 VAL A 39 37.057 14.283 12.760 1.00 45.03 C ATOM 356 H VAL A 39 34.120 13.934 11.633 1.00 0.00 H ATOM 357 N LEU A 40 34.165 15.895 9.558 1.00 22.49 N ATOM 358 CA LEU A 40 33.810 16.499 8.282 1.00 23.83 C ATOM 359 C LEU A 40 32.342 16.868 8.163 1.00 25.43 C ATOM 360 O LEU A 40 32.017 17.807 7.432 1.00 25.88 O ATOM 361 CB LEU A 40 34.175 15.553 7.131 1.00 20.10 C ATOM 362 CG LEU A 40 35.629 15.091 7.086 1.00 22.21 C ATOM 363 CD1 LEU A 40 35.837 14.082 5.970 1.00 20.74 C ATOM 364 CD2 LEU A 40 36.561 16.283 6.919 1.00 26.70 C ATOM 365 H LEU A 40 33.844 14.926 9.759 1.00 0.00 H ATOM 366 N HIS A 41 31.454 16.160 8.860 1.00 18.22 N ATOM 367 CA HIS A 41 30.016 16.411 8.798 1.00 24.63 C ATOM 368 C HIS A 41 29.534 16.421 7.349 1.00 25.18 C ATOM 369 O HIS A 41 28.906 17.372 6.877 1.00 17.95 O ATOM 370 CB HIS A 41 29.662 17.715 9.514 1.00 33.22 C ATOM 371 CG HIS A 41 30.291 17.845 10.865 1.00 40.89 C ATOM 372 ND1 HIS A 41 29.629 17.516 12.028 1.00 35.77 N ATOM 373 CD2 HIS A 41 31.530 18.246 11.236 1.00 42.92 C ATOM 374 CE1 HIS A 41 30.430 17.719 13.059 1.00 39.46 C ATOM 375 NE2 HIS A 41 31.589 18.161 12.606 1.00 43.50 N ATOM 376 H HIS A 41 31.800 15.396 9.475 1.00 0.00 H ATOM 377 N ILE A 42 29.859 15.342 6.635 1.00 22.53 N ATOM 378 CA ILE A 42 29.544 15.256 5.211 1.00 22.13 C ATOM 379 C ILE A 42 28.043 15.394 4.986 1.00 18.53 C ATOM 380 O ILE A 42 27.595 16.148 4.113 1.00 20.52 O ATOM 381 CB ILE A 42 30.080 13.937 4.625 1.00 19.67 C ATOM 382 CG1 ILE A 42 31.609 13.977 4.536 1.00 22.03 C ATOM 383 CG2 ILE A 42 29.450 13.662 3.263 1.00 17.73 C ATOM 384 CD1 ILE A 42 32.144 14.876 3.442 1.00 19.55 C ATOM 385 H ILE A 42 30.345 14.549 7.100 1.00 0.00 H ATOM 386 N SER A 43 27.245 14.681 5.785 1.00 17.77 N ATOM 387 CA SER A 43 25.803 14.636 5.561 1.00 24.32 C ATOM 388 C SER A 43 25.183 16.027 5.631 1.00 30.77 C ATOM 389 O SER A 43 24.377 16.406 4.773 1.00 26.49 O ATOM 390 CB SER A 43 25.146 13.704 6.580 1.00 24.15 C ATOM 391 OG SER A 43 25.580 12.363 6.409 1.00 20.52 O ATOM 392 HG SER A 43 26.562 12.317 6.527 1.00 0.00 H ATOM 393 H SER A 43 27.657 14.150 6.579 1.00 0.00 H ATOM 394 N ASP A 44 25.550 16.806 6.649 1.00 22.66 N ATOM 395 CA ASP A 44 24.967 18.135 6.797 1.00 32.49 C ATOM 396 C ASP A 44 25.462 19.078 5.709 1.00 18.37 C ATOM 397 O ASP A 44 24.688 19.884 5.180 1.00 23.42 O ATOM 398 CB ASP A 44 25.281 18.697 8.183 1.00 38.74 C ATOM 399 CG ASP A 44 24.655 20.059 8.412 1.00 62.33 C ATOM 400 OD1 ASP A 44 23.435 20.200 8.179 1.00 66.81 O ATOM 401 OD2 ASP A 44 25.381 20.988 8.825 1.00 71.79 O ATOM 402 H ASP A 44 26.252 16.466 7.337 1.00 0.00 H ATOM 403 N ASN A 45 26.745 18.985 5.355 1.00 18.39 N ATOM 404 CA ASN A 45 27.289 19.855 4.319 1.00 18.86 C ATOM 405 C ASN A 45 26.722 19.523 2.946 1.00 25.59 C ATOM 406 O ASN A 45 26.572 20.418 2.110 1.00 23.45 O ATOM 407 CB ASN A 45 28.812 19.760 4.306 1.00 22.07 C ATOM 408 CG ASN A 45 29.457 20.686 5.315 1.00 24.34 C ATOM 409 OD1 ASN A 45 29.543 21.895 5.098 1.00 27.49 O ATOM 410 ND2 ASN A 45 29.910 20.126 6.428 1.00 25.87 N ATOM 411 HD22 ASN A 45 29.816 19.100 6.569 1.00 0.00 H ATOM 412 HD21 ASN A 45 30.359 20.713 7.160 1.00 0.00 H ATOM 413 H ASN A 45 27.361 18.288 5.821 1.00 0.00 H ATOM 414 N VAL A 46 26.405 18.252 2.691 1.00 21.31 N ATOM 415 CA VAL A 46 25.726 17.904 1.447 1.00 20.86 C ATOM 416 C VAL A 46 24.297 18.434 1.459 1.00 22.68 C ATOM 417 O VAL A 46 23.814 18.982 0.462 1.00 20.87 O ATOM 418 CB VAL A 46 25.770 16.380 1.225 1.00 19.26 C ATOM 419 CG1 VAL A 46 24.795 15.968 0.131 1.00 20.65 C ATOM 420 CG2 VAL A 46 27.185 15.936 0.870 1.00 21.38 C ATOM 421 H VAL A 46 26.642 17.509 3.379 1.00 0.00 H ATOM 422 N LYS A 47 23.610 18.300 2.598 1.00 22.25 N ATOM 423 CA LYS A 47 22.232 18.766 2.717 1.00 25.30 C ATOM 424 C LYS A 47 22.117 20.258 2.428 1.00 24.48 C ATOM 425 O LYS A 47 21.138 20.706 1.818 1.00 25.67 O ATOM 426 CB LYS A 47 21.705 18.450 4.117 1.00 29.59 C ATOM 427 CG LYS A 47 20.246 18.811 4.355 1.00 34.46 C ATOM 428 CD LYS A 47 19.923 18.754 5.843 1.00 41.96 C ATOM 429 CE LYS A 47 18.437 18.921 6.107 1.00 48.88 C ATOM 430 NZ LYS A 47 17.659 17.760 5.597 1.00 52.32 N ATOM 431 HZ1 LYS A 47 17.804 17.671 4.571 1.00 0.00 H ATOM 432 HZ2 LYS A 47 17.983 16.892 6.070 1.00 0.00 H ATOM 433 HZ3 LYS A 47 16.649 17.908 5.794 1.00 0.00 H ATOM 434 H LYS A 47 24.068 17.853 3.418 1.00 0.00 H ATOM 435 N LYS A 48 23.107 21.043 2.856 1.00 23.83 N ATOM 436 CA LYS A 48 23.043 22.489 2.683 1.00 24.85 C ATOM 437 C LYS A 48 23.296 22.918 1.244 1.00 26.68 C ATOM 438 O LYS A 48 22.985 24.059 0.889 1.00 30.76 O ATOM 439 CB LYS A 48 24.045 23.170 3.616 1.00 36.35 C ATOM 440 CG LYS A 48 23.674 23.077 5.087 1.00 45.82 C ATOM 441 CD LYS A 48 24.897 23.124 5.996 1.00 52.38 C ATOM 442 CE LYS A 48 25.765 24.350 5.745 1.00 55.45 C ATOM 443 NZ LYS A 48 26.861 24.112 4.758 1.00 61.32 N ATOM 444 HZ1 LYS A 48 27.483 23.356 5.108 1.00 0.00 H ATOM 445 HZ2 LYS A 48 26.449 23.829 3.846 1.00 0.00 H ATOM 446 HZ3 LYS A 48 27.411 24.986 4.635 1.00 0.00 H ATOM 447 H LYS A 48 23.935 20.618 3.319 1.00 0.00 H ATOM 448 N LYS A 49 23.850 22.041 0.412 1.00 23.91 N ATOM 449 CA LYS A 49 24.101 22.353 -0.987 1.00 24.59 C ATOM 450 C LYS A 49 23.050 21.774 -1.920 1.00 21.98 C ATOM 451 O LYS A 49 23.121 22.005 -3.129 1.00 27.35 O ATOM 452 CB LYS A 49 25.490 21.855 -1.399 1.00 26.42 C ATOM 453 CG LYS A 49 26.615 22.636 -0.760 1.00 32.20 C ATOM 454 CD LYS A 49 27.460 23.322 -1.805 1.00 34.66 C ATOM 455 CE LYS A 49 28.463 24.248 -1.154 1.00 30.07 C ATOM 456 NZ LYS A 49 29.816 24.032 -1.724 1.00 28.25 N ATOM 457 HZ1 LYS A 49 30.107 23.047 -1.559 1.00 0.00 H ATOM 458 HZ2 LYS A 49 29.794 24.221 -2.746 1.00 0.00 H ATOM 459 HZ3 LYS A 49 30.491 24.676 -1.265 1.00 0.00 H ATOM 460 H LYS A 49 24.112 21.102 0.773 1.00 0.00 H ATOM 461 N LEU A 50 22.093 21.035 -1.398 1.00 26.79 N ATOM 462 CA LEU A 50 21.014 20.467 -2.187 1.00 27.91 C ATOM 463 C LEU A 50 19.727 21.248 -1.963 1.00 33.49 C ATOM 464 O LEU A 50 19.569 21.922 -0.941 1.00 26.95 O ATOM 465 CB LEU A 50 20.804 18.995 -1.813 1.00 21.31 C ATOM 466 CG LEU A 50 21.960 18.072 -2.207 1.00 23.57 C ATOM 467 CD1 LEU A 50 21.702 16.651 -1.736 1.00 28.02 C ATOM 468 CD2 LEU A 50 22.175 18.113 -3.714 1.00 29.14 C ATOM 469 H LEU A 50 22.111 20.850 -0.375 1.00 0.00 H ATOM 470 N PRO A 51 18.786 21.196 -2.911 1.00 30.42 N ATOM 471 CA PRO A 51 17.512 21.898 -2.714 1.00 34.39 C ATOM 472 C PRO A 51 16.813 21.445 -1.440 1.00 46.14 C ATOM 473 O PRO A 51 16.931 20.294 -1.011 1.00 39.16 O ATOM 474 CB PRO A 51 16.706 21.522 -3.961 1.00 38.53 C ATOM 475 CG PRO A 51 17.740 21.242 -4.998 1.00 37.04 C ATOM 476 CD PRO A 51 18.875 20.587 -4.251 1.00 28.56 C ATOM 477 N GLU A 52 16.094 22.380 -0.823 1.00 51.86 N ATOM 478 CA GLU A 52 15.399 22.080 0.420 1.00 51.62 C ATOM 479 C GLU A 52 14.309 21.044 0.180 1.00 48.90 C ATOM 480 O GLU A 52 13.579 21.103 -0.814 1.00 54.87 O ATOM 481 CB GLU A 52 14.796 23.354 1.014 1.00 58.28 C ATOM 482 H GLU A 52 16.028 23.334 -1.233 1.00 0.00 H ATOM 483 N GLY A 53 14.212 20.078 1.091 1.00 51.49 N ATOM 484 CA GLY A 53 13.209 19.040 1.001 1.00 59.07 C ATOM 485 C GLY A 53 13.639 17.773 0.294 1.00 64.68 C ATOM 486 O GLY A 53 12.852 16.818 0.245 1.00 67.64 O ATOM 487 H GLY A 53 14.877 20.070 1.891 1.00 0.00 H ATOM 488 N VAL A 54 14.854 17.730 -0.259 1.00 60.93 N ATOM 489 CA VAL A 54 15.339 16.519 -0.910 1.00 54.34 C ATOM 490 C VAL A 54 15.533 15.425 0.131 1.00 41.55 C ATOM 491 O VAL A 54 16.005 15.679 1.247 1.00 29.21 O ATOM 492 CB VAL A 54 16.641 16.811 -1.676 1.00 53.14 C ATOM 493 CG1 VAL A 54 17.315 15.518 -2.116 1.00 47.71 C ATOM 494 CG2 VAL A 54 16.355 17.696 -2.881 1.00 55.32 C ATOM 495 H VAL A 54 15.463 18.572 -0.225 1.00 0.00 H ATOM 496 N LYS A 55 15.149 14.200 -0.225 1.00 41.12 N ATOM 497 CA LYS A 55 15.249 13.070 0.689 1.00 34.63 C ATOM 498 C LYS A 55 16.689 12.579 0.776 1.00 30.52 C ATOM 499 O LYS A 55 17.317 12.279 -0.245 1.00 26.80 O ATOM 500 CB LYS A 55 14.332 11.934 0.232 1.00 37.51 C ATOM 501 CG LYS A 55 14.494 10.640 1.016 1.00 48.25 C ATOM 502 CD LYS A 55 13.762 10.700 2.346 1.00 49.19 C ATOM 503 CE LYS A 55 13.263 9.324 2.757 1.00 53.37 C ATOM 504 H LYS A 55 14.768 14.046 -1.180 1.00 0.00 H ATOM 505 N MET A 56 17.213 12.503 1.996 1.00 26.73 N ATOM 506 CA MET A 56 18.523 11.926 2.257 1.00 28.51 C ATOM 507 C MET A 56 18.354 10.725 3.174 1.00 26.48 C ATOM 508 O MET A 56 17.671 10.812 4.200 1.00 25.79 O ATOM 509 CB MET A 56 19.472 12.952 2.881 1.00 34.45 C ATOM 510 CG MET A 56 19.834 14.091 1.942 1.00 40.74 C ATOM 511 SD MET A 56 21.009 15.259 2.650 1.00 32.95 S ATOM 512 CE MET A 56 22.492 14.256 2.761 1.00 24.19 C ATOM 513 H MET A 56 16.663 12.872 2.798 1.00 0.00 H ATOM 514 N THR A 57 18.969 9.610 2.799 1.00 23.94 N ATOM 515 CA THR A 57 18.846 8.357 3.524 1.00 18.70 C ATOM 516 C THR A 57 20.233 7.861 3.909 1.00 18.04 C ATOM 517 O THR A 57 21.175 7.955 3.117 1.00 23.22 O ATOM 518 CB THR A 57 18.115 7.314 2.669 1.00 34.01 C ATOM 519 OG1 THR A 57 16.822 7.817 2.307 1.00 25.82 O ATOM 520 CG2 THR A 57 17.939 6.022 3.431 1.00 31.91 C ATOM 521 HG1 THR A 57 16.350 7.144 1.755 1.00 0.00 H ATOM 522 H THR A 57 19.566 9.634 1.948 1.00 0.00 H ATOM 523 N LYS A 58 20.365 7.348 5.131 1.00 17.49 N ATOM 524 CA LYS A 58 21.631 6.809 5.616 1.00 22.27 C ATOM 525 C LYS A 58 21.384 5.448 6.247 1.00 20.49 C ATOM 526 O LYS A 58 20.591 5.335 7.187 1.00 20.95 O ATOM 527 CB LYS A 58 22.287 7.753 6.624 1.00 20.04 C ATOM 528 CG LYS A 58 23.491 7.140 7.316 1.00 25.28 C ATOM 529 CD LYS A 58 24.678 8.085 7.294 1.00 35.47 C ATOM 530 CE LYS A 58 24.428 9.280 8.186 1.00 37.49 C ATOM 531 NZ LYS A 58 25.478 10.316 8.033 1.00 28.90 N ATOM 532 HZ1 LYS A 58 26.402 9.911 8.283 1.00 0.00 H ATOM 533 HZ2 LYS A 58 25.498 10.645 7.046 1.00 0.00 H ATOM 534 HZ3 LYS A 58 25.267 11.117 8.662 1.00 0.00 H ATOM 535 H LYS A 58 19.538 7.331 5.761 1.00 0.00 H ATOM 536 N TYR A 59 22.076 4.424 5.748 1.00 17.14 N ATOM 537 CA TYR A 59 21.892 3.053 6.205 1.00 17.23 C ATOM 538 C TYR A 59 23.201 2.473 6.732 1.00 16.90 C ATOM 539 O TYR A 59 24.289 2.818 6.261 1.00 20.30 O ATOM 540 CB TYR A 59 21.363 2.152 5.076 1.00 18.14 C ATOM 541 CG TYR A 59 19.910 2.359 4.688 1.00 18.72 C ATOM 542 CD1 TYR A 59 18.994 2.911 5.577 1.00 22.31 C ATOM 543 CD2 TYR A 59 19.451 1.968 3.434 1.00 19.75 C ATOM 544 CE1 TYR A 59 17.662 3.086 5.216 1.00 24.22 C ATOM 545 CE2 TYR A 59 18.127 2.142 3.065 1.00 20.48 C ATOM 546 CZ TYR A 59 17.236 2.698 3.958 1.00 29.30 C ATOM 547 OH TYR A 59 15.920 2.868 3.587 1.00 26.71 O ATOM 548 HH TYR A 59 15.417 3.276 4.336 1.00 0.00 H ATOM 549 H TYR A 59 22.776 4.611 5.002 1.00 0.00 H ATOM 550 N HIS A 60 23.082 1.571 7.706 1.00 19.63 N ATOM 551 CA HIS A 60 24.211 0.814 8.232 1.00 17.49 C ATOM 552 C HIS A 60 24.410 -0.470 7.423 1.00 17.75 C ATOM 553 O HIS A 60 23.516 -0.916 6.700 1.00 22.07 O ATOM 554 CB HIS A 60 23.994 0.482 9.713 1.00 16.13 C ATOM 555 CG HIS A 60 25.257 0.168 10.458 1.00 15.94 C ATOM 556 ND1 HIS A 60 25.694 -1.122 10.675 1.00 19.18 N ATOM 557 CD2 HIS A 60 26.175 0.978 11.038 1.00 17.40 C ATOM 558 CE1 HIS A 60 26.828 -1.093 11.354 1.00 16.22 C ATOM 559 NE2 HIS A 60 27.139 0.169 11.591 1.00 15.95 N ATOM 560 H HIS A 60 22.139 1.399 8.110 1.00 0.00 H ATOM 561 N VAL A 61 25.602 -1.065 7.556 1.00 19.61 N ATOM 562 CA VAL A 61 25.995 -2.234 6.776 1.00 18.22 C ATOM 563 C VAL A 61 26.514 -3.328 7.702 1.00 18.23 C ATOM 564 O VAL A 61 27.000 -3.069 8.805 1.00 17.66 O ATOM 565 CB VAL A 61 27.067 -1.909 5.711 1.00 18.69 C ATOM 566 CG1 VAL A 61 26.551 -0.875 4.723 1.00 24.86 C ATOM 567 CG2 VAL A 61 28.367 -1.449 6.377 1.00 19.67 C ATOM 568 H VAL A 61 26.277 -0.677 8.245 1.00 0.00 H ATOM 569 N ASN A 62 26.439 -4.567 7.214 1.00 19.05 N ATOM 570 CA ASN A 62 26.814 -5.731 8.009 1.00 19.23 C ATOM 571 C ASN A 62 28.273 -6.147 7.857 1.00 24.99 C ATOM 572 O ASN A 62 28.804 -6.816 8.751 1.00 21.20 O ATOM 573 CB ASN A 62 25.933 -6.932 7.636 1.00 20.04 C ATOM 574 CG ASN A 62 24.498 -6.773 8.093 1.00 19.70 C ATOM 575 OD1 ASN A 62 24.198 -5.954 8.958 1.00 21.22 O ATOM 576 ND2 ASN A 62 23.603 -7.565 7.514 1.00 20.57 N ATOM 577 HD22 ASN A 62 23.903 -8.244 6.786 1.00 0.00 H ATOM 578 HD21 ASN A 62 22.602 -7.506 7.789 1.00 0.00 H ATOM 579 H ASN A 62 26.104 -4.707 6.240 1.00 0.00 H ATOM 580 N PHE A 63 28.939 -5.790 6.757 1.00 20.24 N ATOM 581 CA PHE A 63 30.151 -6.535 6.423 1.00 25.11 C ATOM 582 C PHE A 63 31.363 -6.176 7.282 1.00 25.69 C ATOM 583 O PHE A 63 32.420 -6.783 7.085 1.00 26.56 O ATOM 584 CB PHE A 63 30.492 -6.373 4.937 1.00 22.02 C ATOM 585 CG PHE A 63 30.791 -4.960 4.517 1.00 31.75 C ATOM 586 CD1 PHE A 63 32.062 -4.427 4.670 1.00 32.37 C ATOM 587 CD2 PHE A 63 29.807 -4.177 3.938 1.00 30.09 C ATOM 588 CE1 PHE A 63 32.341 -3.136 4.272 1.00 28.81 C ATOM 589 CE2 PHE A 63 30.079 -2.883 3.537 1.00 31.07 C ATOM 590 CZ PHE A 63 31.347 -2.361 3.705 1.00 28.01 C ATOM 591 H PHE A 63 28.607 -5.008 6.158 1.00 0.00 H ATOM 592 N MET A 64 31.255 -5.244 8.224 1.00 19.81 N ATOM 593 CA MET A 64 32.334 -4.939 9.157 1.00 19.67 C ATOM 594 C MET A 64 31.908 -5.334 10.564 1.00 20.50 C ATOM 595 O MET A 64 30.808 -4.984 11.001 1.00 20.53 O ATOM 596 CB MET A 64 32.692 -3.449 9.129 1.00 21.68 C ATOM 597 CG MET A 64 33.195 -2.937 7.793 1.00 25.00 C ATOM 598 SD MET A 64 33.913 -1.282 7.911 1.00 24.13 S ATOM 599 CE MET A 64 35.436 -1.631 8.793 1.00 27.10 C ATOM 600 H MET A 64 30.365 -4.711 8.299 1.00 0.00 H ATOM 601 N GLY A 65 32.774 -6.058 11.271 1.00 19.59 N ATOM 602 CA GLY A 65 32.567 -6.301 12.684 1.00 19.54 C ATOM 603 C GLY A 65 31.838 -7.572 13.052 1.00 19.33 C ATOM 604 O GLY A 65 31.552 -7.773 14.238 1.00 19.74 O ATOM 605 H GLY A 65 33.612 -6.455 10.801 1.00 0.00 H ATOM 606 N GLY A 66 31.521 -8.430 12.085 1.00 17.47 N ATOM 607 CA GLY A 66 30.966 -9.736 12.413 1.00 17.85 C ATOM 608 C GLY A 66 29.636 -9.646 13.140 1.00 25.95 C ATOM 609 O GLY A 66 28.720 -8.931 12.720 1.00 28.11 O ATOM 610 H GLY A 66 31.670 -8.166 11.090 1.00 0.00 H ATOM 611 N ASP A 67 29.527 -10.394 14.244 1.00 21.81 N ATOM 612 CA ASP A 67 28.295 -10.420 15.032 1.00 20.04 C ATOM 613 C ASP A 67 27.866 -9.016 15.438 1.00 20.43 C ATOM 614 O ASP A 67 26.698 -8.638 15.286 1.00 21.03 O ATOM 615 CB ASP A 67 28.488 -11.289 16.278 1.00 28.49 C ATOM 616 CG ASP A 67 27.794 -12.634 16.173 1.00 45.70 C ATOM 617 OD1 ASP A 67 26.789 -12.741 15.439 1.00 50.63 O ATOM 618 OD2 ASP A 67 28.252 -13.586 16.837 1.00 58.85 O ATOM 619 H ASP A 67 30.337 -10.970 14.549 1.00 0.00 H ATOM 620 N LEU A 68 28.803 -8.227 15.965 1.00 16.59 N ATOM 621 CA LEU A 68 28.452 -6.895 16.442 1.00 18.69 C ATOM 622 C LEU A 68 28.081 -5.970 15.290 1.00 20.56 C ATOM 623 O LEU A 68 27.243 -5.078 15.462 1.00 22.36 O ATOM 624 CB LEU A 68 29.606 -6.313 17.260 1.00 25.85 C ATOM 625 CG LEU A 68 29.278 -5.299 18.358 1.00 32.44 C ATOM 626 CD1 LEU A 68 28.189 -5.824 19.282 1.00 24.12 C ATOM 627 CD2 LEU A 68 30.533 -4.957 19.155 1.00 28.90 C ATOM 628 H LEU A 68 29.785 -8.562 16.036 1.00 0.00 H ATOM 629 N GLY A 69 28.684 -6.170 14.116 1.00 20.06 N ATOM 630 CA GLY A 69 28.300 -5.381 12.956 1.00 20.66 C ATOM 631 C GLY A 69 26.835 -5.544 12.600 1.00 22.75 C ATOM 632 O GLY A 69 26.158 -4.572 12.255 1.00 24.09 O ATOM 633 H GLY A 69 29.429 -6.891 14.031 1.00 0.00 H ATOM 634 N LYS A 70 26.324 -6.775 12.683 1.00 22.05 N ATOM 635 CA LYS A 70 24.904 -7.001 12.436 1.00 19.16 C ATOM 636 C LYS A 70 24.048 -6.446 13.566 1.00 20.85 C ATOM 637 O LYS A 70 22.950 -5.934 13.322 1.00 19.98 O ATOM 638 CB LYS A 70 24.628 -8.490 12.241 1.00 28.93 C ATOM 639 CG LYS A 70 25.031 -9.024 10.884 1.00 26.47 C ATOM 640 CD LYS A 70 24.258 -10.287 10.563 1.00 24.94 C ATOM 641 CE LYS A 70 22.780 -9.983 10.389 1.00 34.73 C ATOM 642 NZ LYS A 70 22.047 -11.145 9.834 1.00 30.48 N ATOM 643 HZ1 LYS A 70 22.444 -11.392 8.905 1.00 0.00 H ATOM 644 HZ2 LYS A 70 22.143 -11.954 10.480 1.00 0.00 H ATOM 645 HZ3 LYS A 70 21.042 -10.901 9.729 1.00 0.00 H ATOM 646 H LYS A 70 26.941 -7.576 12.925 1.00 0.00 H ATOM 647 N ASP A 71 24.522 -6.554 14.810 1.00 20.19 N ATOM 648 CA ASP A 71 23.824 -5.914 15.921 1.00 17.67 C ATOM 649 C ASP A 71 23.696 -4.416 15.694 1.00 16.90 C ATOM 650 O ASP A 71 22.661 -3.817 16.006 1.00 18.28 O ATOM 651 CB ASP A 71 24.557 -6.178 17.237 1.00 19.70 C ATOM 652 CG ASP A 71 24.255 -7.542 17.815 1.00 20.57 C ATOM 653 OD1 ASP A 71 23.086 -7.971 17.775 1.00 19.19 O ATOM 654 OD2 ASP A 71 25.197 -8.187 18.313 1.00 24.28 O ATOM 655 H ASP A 71 25.392 -7.096 14.988 1.00 0.00 H ATOM 656 N LEU A 72 24.744 -3.790 15.156 1.00 15.12 N ATOM 657 CA LEU A 72 24.699 -2.350 14.941 1.00 20.31 C ATOM 658 C LEU A 72 23.737 -1.984 13.819 1.00 21.54 C ATOM 659 O LEU A 72 23.119 -0.916 13.863 1.00 21.91 O ATOM 660 CB LEU A 72 26.104 -1.817 14.658 1.00 14.70 C ATOM 661 CG LEU A 72 27.028 -1.817 15.883 1.00 16.65 C ATOM 662 CD1 LEU A 72 28.483 -1.740 15.462 1.00 14.84 C ATOM 663 CD2 LEU A 72 26.678 -0.682 16.846 1.00 14.76 C ATOM 664 H LEU A 72 25.592 -4.330 14.890 1.00 0.00 H ATOM 665 N THR A 73 23.582 -2.860 12.822 1.00 25.74 N ATOM 666 CA THR A 73 22.586 -2.621 11.782 1.00 15.25 C ATOM 667 C THR A 73 21.174 -2.678 12.355 1.00 19.17 C ATOM 668 O THR A 73 20.318 -1.858 12.000 1.00 21.54 O ATOM 669 CB THR A 73 22.759 -3.637 10.648 1.00 20.30 C ATOM 670 OG1 THR A 73 24.034 -3.443 10.020 1.00 17.13 O ATOM 671 CG2 THR A 73 21.659 -3.484 9.601 1.00 21.80 C ATOM 672 HG1 THR A 73 24.143 -4.100 9.288 1.00 0.00 H ATOM 673 H THR A 73 24.173 -3.715 12.787 1.00 0.00 H ATOM 674 N GLN A 74 20.915 -3.630 13.255 1.00 15.65 N ATOM 675 CA GLN A 74 19.613 -3.684 13.910 1.00 18.81 C ATOM 676 C GLN A 74 19.419 -2.496 14.843 1.00 19.76 C ATOM 677 O GLN A 74 18.312 -1.955 14.945 1.00 19.85 O ATOM 678 CB GLN A 74 19.462 -5.000 14.674 1.00 16.23 C ATOM 679 CG GLN A 74 18.058 -5.244 15.209 1.00 16.69 C ATOM 680 CD GLN A 74 17.846 -6.679 15.654 1.00 27.47 C ATOM 681 OE1 GLN A 74 18.639 -7.564 15.333 1.00 24.55 O ATOM 682 NE2 GLN A 74 16.768 -6.917 16.390 1.00 22.33 N ATOM 683 HE22 GLN A 74 16.125 -6.138 16.638 1.00 0.00 H ATOM 684 HE21 GLN A 74 16.566 -7.883 16.719 1.00 0.00 H ATOM 685 H GLN A 74 21.643 -4.334 13.489 1.00 0.00 H ATOM 686 N ALA A 75 20.484 -2.080 15.534 1.00 16.02 N ATOM 687 CA ALA A 75 20.392 -0.910 16.400 1.00 15.48 C ATOM 688 C ALA A 75 20.140 0.356 15.592 1.00 15.39 C ATOM 689 O ALA A 75 19.380 1.231 16.022 1.00 21.35 O ATOM 690 CB ALA A 75 21.666 -0.769 17.232 1.00 15.28 C ATOM 691 H ALA A 75 21.385 -2.594 15.454 1.00 0.00 H ATOM 692 N TRP A 76 20.771 0.475 14.420 1.00 18.19 N ATOM 693 CA TRP A 76 20.499 1.625 13.565 1.00 20.48 C ATOM 694 C TRP A 76 19.049 1.625 13.101 1.00 20.14 C ATOM 695 O TRP A 76 18.419 2.685 13.017 1.00 17.42 O ATOM 696 CB TRP A 76 21.453 1.639 12.369 1.00 16.73 C ATOM 697 CG TRP A 76 21.400 2.924 11.596 1.00 19.08 C ATOM 698 CD1 TRP A 76 20.994 3.088 10.305 1.00 17.51 C ATOM 699 CD2 TRP A 76 21.759 4.230 12.072 1.00 19.02 C ATOM 700 NE1 TRP A 76 21.077 4.413 9.945 1.00 20.74 N ATOM 701 CE2 TRP A 76 21.546 5.134 11.012 1.00 18.85 C ATOM 702 CE3 TRP A 76 22.241 4.720 13.290 1.00 19.97 C ATOM 703 CZ2 TRP A 76 21.798 6.500 11.132 1.00 23.30 C ATOM 704 CZ3 TRP A 76 22.490 6.078 13.408 1.00 23.86 C ATOM 705 CH2 TRP A 76 22.269 6.951 12.335 1.00 21.25 C ATOM 706 HE1 TRP A 76 20.825 4.804 9.015 1.00 0.00 H ATOM 707 H TRP A 76 21.453 -0.250 14.119 1.00 0.00 H ATOM 708 N ALA A 77 18.501 0.443 12.807 1.00 20.33 N ATOM 709 CA ALA A 77 17.083 0.353 12.477 1.00 19.76 C ATOM 710 C ALA A 77 16.224 0.850 13.632 1.00 21.11 C ATOM 711 O ALA A 77 15.246 1.576 13.418 1.00 24.68 O ATOM 712 CB ALA A 77 16.717 -1.084 12.108 1.00 19.05 C ATOM 713 H ALA A 77 19.087 -0.416 12.813 1.00 0.00 H ATOM 714 N VAL A 78 16.581 0.476 14.865 1.00 19.46 N ATOM 715 CA VAL A 78 15.890 1.012 16.035 1.00 20.49 C ATOM 716 C VAL A 78 15.998 2.529 16.066 1.00 21.88 C ATOM 717 O VAL A 78 15.011 3.231 16.320 1.00 24.18 O ATOM 718 CB VAL A 78 16.448 0.386 17.328 1.00 18.56 C ATOM 719 CG1 VAL A 78 15.894 1.110 18.551 1.00 17.40 C ATOM 720 CG2 VAL A 78 16.121 -1.095 17.393 1.00 17.09 C ATOM 721 H VAL A 78 17.358 -0.203 14.992 1.00 0.00 H ATOM 722 N ALA A 79 17.199 3.058 15.813 1.00 22.33 N ATOM 723 CA ALA A 79 17.393 4.505 15.834 1.00 21.80 C ATOM 724 C ALA A 79 16.523 5.190 14.789 1.00 23.97 C ATOM 725 O ALA A 79 15.954 6.258 15.044 1.00 24.23 O ATOM 726 CB ALA A 79 18.866 4.840 15.605 1.00 15.88 C ATOM 727 H ALA A 79 18.003 2.433 15.599 1.00 0.00 H ATOM 728 N MET A 80 16.408 4.585 13.606 1.00 19.75 N ATOM 729 CA MET A 80 15.575 5.154 12.554 1.00 23.68 C ATOM 730 C MET A 80 14.095 5.051 12.908 1.00 22.14 C ATOM 731 O MET A 80 13.325 5.991 12.675 1.00 34.29 O ATOM 732 CB MET A 80 15.863 4.445 11.230 1.00 21.24 C ATOM 733 CG MET A 80 17.183 4.831 10.577 1.00 20.77 C ATOM 734 SD MET A 80 17.386 4.109 8.929 1.00 22.67 S ATOM 735 CE MET A 80 17.346 2.356 9.303 1.00 16.55 C ATOM 736 H MET A 80 16.919 3.696 13.432 1.00 0.00 H ATOM 737 N ALA A 81 13.682 3.913 13.474 1.00 18.77 N ATOM 738 CA ALA A 81 12.282 3.728 13.844 1.00 27.16 C ATOM 739 C ALA A 81 11.861 4.712 14.927 1.00 30.94 C ATOM 740 O ALA A 81 10.748 5.248 14.886 1.00 26.59 O ATOM 741 CB ALA A 81 12.048 2.290 14.306 1.00 19.11 C ATOM 742 H ALA A 81 14.366 3.150 13.653 1.00 0.00 H ATOM 743 N LEU A 82 12.735 4.959 15.903 1.00 26.52 N ATOM 744 CA LEU A 82 12.451 5.884 16.990 1.00 28.84 C ATOM 745 C LEU A 82 12.808 7.324 16.655 1.00 21.44 C ATOM 746 O LEU A 82 12.459 8.224 17.426 1.00 24.72 O ATOM 747 CB LEU A 82 13.207 5.464 18.260 1.00 19.26 C ATOM 748 CG LEU A 82 12.836 4.119 18.892 1.00 24.03 C ATOM 749 CD1 LEU A 82 13.633 3.877 20.164 1.00 24.19 C ATOM 750 CD2 LEU A 82 11.342 4.055 19.176 1.00 23.57 C ATOM 751 H LEU A 82 13.654 4.472 15.887 1.00 0.00 H ATOM 752 N GLY A 83 13.490 7.559 15.538 1.00 21.35 N ATOM 753 CA GLY A 83 13.922 8.898 15.175 1.00 24.03 C ATOM 754 C GLY A 83 14.945 9.500 16.114 1.00 28.59 C ATOM 755 O GLY A 83 14.867 10.695 16.420 1.00 32.74 O ATOM 756 H GLY A 83 13.720 6.764 14.908 1.00 0.00 H ATOM 757 N VAL A 84 15.909 8.704 16.579 1.00 31.39 N ATOM 758 CA VAL A 84 16.890 9.185 17.549 1.00 19.46 C ATOM 759 C VAL A 84 18.300 9.079 16.980 1.00 20.59 C ATOM 760 O VAL A 84 19.271 8.945 17.734 1.00 23.80 O ATOM 761 CB VAL A 84 16.785 8.412 18.877 1.00 24.15 C ATOM 762 CG1 VAL A 84 15.475 8.736 19.584 1.00 23.01 C ATOM 763 CG2 VAL A 84 16.928 6.911 18.639 1.00 17.64 C ATOM 764 H VAL A 84 15.963 7.721 16.244 1.00 0.00 H ATOM 765 N GLU A 85 18.421 9.143 15.650 1.00 19.87 N ATOM 766 CA GLU A 85 19.730 9.023 15.010 1.00 16.52 C ATOM 767 C GLU A 85 20.703 10.072 15.533 1.00 20.38 C ATOM 768 O GLU A 85 21.865 9.766 15.828 1.00 27.26 O ATOM 769 CB GLU A 85 19.589 9.150 13.493 1.00 18.40 C ATOM 770 CG GLU A 85 18.738 8.079 12.841 1.00 22.31 C ATOM 771 CD GLU A 85 17.317 8.541 12.581 1.00 32.52 C ATOM 772 OE1 GLU A 85 16.753 9.262 13.432 1.00 26.86 O ATOM 773 OE2 GLU A 85 16.767 8.188 11.517 1.00 28.36 O ATOM 774 H GLU A 85 17.573 9.280 15.063 1.00 0.00 H ATOM 775 N ASP A 86 20.247 11.321 15.648 1.00 20.35 N ATOM 776 CA ASP A 86 21.131 12.392 16.090 1.00 21.82 C ATOM 777 C ASP A 86 21.591 12.198 17.529 1.00 21.75 C ATOM 778 O ASP A 86 22.633 12.739 17.914 1.00 27.03 O ATOM 779 CB ASP A 86 20.434 13.746 15.944 1.00 24.92 C ATOM 780 CG ASP A 86 20.172 14.116 14.495 1.00 38.91 C ATOM 781 OD1 ASP A 86 20.753 13.470 13.597 1.00 39.50 O ATOM 782 OD2 ASP A 86 19.385 15.054 14.254 1.00 48.47 O ATOM 783 H ASP A 86 19.254 11.531 15.421 1.00 0.00 H ATOM 784 N LYS A 87 20.850 11.431 18.325 1.00 18.76 N ATOM 785 CA LYS A 87 21.185 11.234 19.729 1.00 23.85 C ATOM 786 C LYS A 87 22.197 10.121 19.953 1.00 24.80 C ATOM 787 O LYS A 87 22.922 10.153 20.953 1.00 24.15 O ATOM 788 CB LYS A 87 19.919 10.932 20.536 1.00 26.46 C ATOM 789 CG LYS A 87 18.906 12.057 20.534 1.00 36.48 C ATOM 790 CD LYS A 87 17.759 11.770 21.484 1.00 34.55 C ATOM 791 CE LYS A 87 16.846 12.977 21.604 1.00 42.09 C ATOM 792 NZ LYS A 87 15.677 12.700 22.476 1.00 46.55 N ATOM 793 HZ1 LYS A 87 15.127 11.913 22.077 1.00 0.00 H ATOM 794 HZ2 LYS A 87 16.009 12.445 23.428 1.00 0.00 H ATOM 795 HZ3 LYS A 87 15.079 13.549 22.532 1.00 0.00 H ATOM 796 H LYS A 87 20.009 10.960 17.934 1.00 0.00 H ATOM 797 N VAL A 88 22.274 9.138 19.056 1.00 20.65 N ATOM 798 CA VAL A 88 23.083 7.947 19.300 1.00 20.98 C ATOM 799 C VAL A 88 24.278 7.822 18.365 1.00 21.52 C ATOM 800 O VAL A 88 25.180 7.020 18.656 1.00 23.31 O ATOM 801 CB VAL A 88 22.232 6.660 19.233 1.00 21.21 C ATOM 802 CG1 VAL A 88 21.200 6.647 20.356 1.00 16.63 C ATOM 803 CG2 VAL A 88 21.561 6.532 17.871 1.00 23.30 C ATOM 804 H VAL A 88 21.747 9.221 18.163 1.00 0.00 H ATOM 805 N THR A 89 24.333 8.591 17.273 1.00 20.89 N ATOM 806 CA THR A 89 25.383 8.390 16.276 1.00 15.09 C ATOM 807 C THR A 89 26.775 8.583 16.870 1.00 14.92 C ATOM 808 O THR A 89 27.651 7.724 16.716 1.00 20.28 O ATOM 809 CB THR A 89 25.180 9.331 15.089 1.00 23.85 C ATOM 810 OG1 THR A 89 23.935 9.040 14.443 1.00 25.57 O ATOM 811 CG2 THR A 89 26.313 9.155 14.092 1.00 18.25 C ATOM 812 HG1 THR A 89 23.194 9.162 15.088 1.00 0.00 H ATOM 813 H THR A 89 23.623 9.338 17.132 1.00 0.00 H ATOM 814 N VAL A 90 27.002 9.708 17.544 1.00 15.30 N ATOM 815 CA VAL A 90 28.318 10.021 18.101 1.00 15.53 C ATOM 816 C VAL A 90 28.712 9.035 19.202 1.00 15.78 C ATOM 817 O VAL A 90 29.819 8.485 19.143 1.00 21.91 O ATOM 818 CB VAL A 90 28.367 11.473 18.604 1.00 16.61 C ATOM 819 CG1 VAL A 90 29.631 11.717 19.421 1.00 22.22 C ATOM 820 CG2 VAL A 90 28.288 12.440 17.429 1.00 19.53 C ATOM 821 H VAL A 90 26.222 10.383 17.678 1.00 0.00 H ATOM 822 N PRO A 91 27.874 8.768 20.215 1.00 23.41 N ATOM 823 CA PRO A 91 28.286 7.785 21.234 1.00 22.34 C ATOM 824 C PRO A 91 28.504 6.386 20.681 1.00 25.07 C ATOM 825 O PRO A 91 29.329 5.639 21.222 1.00 16.21 O ATOM 826 CB PRO A 91 27.133 7.815 22.250 1.00 24.60 C ATOM 827 CG PRO A 91 25.993 8.430 21.536 1.00 32.30 C ATOM 828 CD PRO A 91 26.588 9.393 20.567 1.00 26.24 C ATOM 829 N LEU A 92 27.793 6.000 19.620 1.00 15.49 N ATOM 830 CA LEU A 92 28.041 4.691 19.026 1.00 23.72 C ATOM 831 C LEU A 92 29.386 4.662 18.309 1.00 23.32 C ATOM 832 O LEU A 92 30.144 3.694 18.438 1.00 15.17 O ATOM 833 CB LEU A 92 26.904 4.315 18.072 1.00 21.30 C ATOM 834 CG LEU A 92 25.583 3.874 18.716 1.00 19.45 C ATOM 835 CD1 LEU A 92 24.438 3.868 17.701 1.00 17.93 C ATOM 836 CD2 LEU A 92 25.721 2.518 19.387 1.00 18.38 C ATOM 837 H LEU A 92 27.067 6.628 19.219 1.00 0.00 H ATOM 838 N PHE A 93 29.696 5.711 17.544 1.00 18.96 N ATOM 839 CA PHE A 93 31.015 5.810 16.925 1.00 18.50 C ATOM 840 C PHE A 93 32.117 5.770 17.978 1.00 19.22 C ATOM 841 O PHE A 93 33.077 4.998 17.867 1.00 23.42 O ATOM 842 CB PHE A 93 31.111 7.094 16.102 1.00 14.78 C ATOM 843 CG PHE A 93 30.763 6.912 14.653 1.00 14.41 C ATOM 844 CD1 PHE A 93 31.482 6.034 13.860 1.00 14.83 C ATOM 845 CD2 PHE A 93 29.720 7.624 14.084 1.00 14.24 C ATOM 846 CE1 PHE A 93 31.164 5.867 12.523 1.00 21.31 C ATOM 847 CE2 PHE A 93 29.397 7.460 12.750 1.00 20.31 C ATOM 848 CZ PHE A 93 30.122 6.580 11.969 1.00 19.68 C ATOM 849 H PHE A 93 28.994 6.462 17.388 1.00 0.00 H ATOM 850 N GLU A 94 31.990 6.590 19.020 1.00 16.88 N ATOM 851 CA GLU A 94 33.042 6.643 20.028 1.00 16.46 C ATOM 852 C GLU A 94 33.087 5.366 20.856 1.00 16.73 C ATOM 853 O GLU A 94 34.175 4.913 21.229 1.00 20.59 O ATOM 854 CB GLU A 94 32.850 7.873 20.909 1.00 16.94 C ATOM 855 CG GLU A 94 32.859 9.145 20.088 1.00 29.30 C ATOM 856 CD GLU A 94 32.821 10.400 20.924 1.00 34.35 C ATOM 857 OE1 GLU A 94 32.658 10.295 22.156 1.00 33.72 O ATOM 858 OE2 GLU A 94 32.946 11.496 20.340 1.00 36.76 O ATOM 859 H GLU A 94 31.145 7.189 19.114 1.00 0.00 H ATOM 860 N GLY A 95 31.930 4.758 21.128 1.00 20.19 N ATOM 861 CA GLY A 95 31.915 3.503 21.857 1.00 18.54 C ATOM 862 C GLY A 95 32.599 2.372 21.114 1.00 19.03 C ATOM 863 O GLY A 95 33.255 1.530 21.732 1.00 18.66 O ATOM 864 H GLY A 95 31.035 5.186 20.816 1.00 0.00 H ATOM 865 N VAL A 96 32.469 2.341 19.788 1.00 23.18 N ATOM 866 CA VAL A 96 33.102 1.298 18.982 1.00 16.06 C ATOM 867 C VAL A 96 34.575 1.601 18.722 1.00 16.86 C ATOM 868 O VAL A 96 35.429 0.722 18.864 1.00 19.83 O ATOM 869 CB VAL A 96 32.337 1.114 17.655 1.00 25.85 C ATOM 870 CG1 VAL A 96 33.088 0.154 16.738 1.00 16.07 C ATOM 871 CG2 VAL A 96 30.916 0.618 17.905 1.00 15.29 C ATOM 872 H VAL A 96 31.904 3.076 19.316 1.00 0.00 H ATOM 873 N GLN A 97 34.905 2.839 18.347 1.00 16.36 N ATOM 874 CA GLN A 97 36.227 3.151 17.818 1.00 16.69 C ATOM 875 C GLN A 97 37.135 3.901 18.779 1.00 21.02 C ATOM 876 O GLN A 97 38.350 3.710 18.721 1.00 25.79 O ATOM 877 CB GLN A 97 36.102 3.964 16.522 1.00 18.67 C ATOM 878 CG GLN A 97 35.414 3.208 15.400 1.00 23.14 C ATOM 879 CD GLN A 97 35.601 3.853 14.043 1.00 19.56 C ATOM 880 OE1 GLN A 97 36.682 4.350 13.714 1.00 15.91 O ATOM 881 NE2 GLN A 97 34.544 3.842 13.239 1.00 16.10 N ATOM 882 HE22 GLN A 97 33.652 3.412 13.558 1.00 0.00 H ATOM 883 HE21 GLN A 97 34.608 4.263 12.290 1.00 0.00 H ATOM 884 H GLN A 97 34.201 3.600 18.434 1.00 0.00 H ATOM 885 N LYS A 98 36.593 4.751 19.653 1.00 17.61 N ATOM 886 CA LYS A 98 37.437 5.549 20.540 1.00 18.18 C ATOM 887 C LYS A 98 37.653 4.868 21.888 1.00 19.11 C ATOM 888 O LYS A 98 38.789 4.549 22.254 1.00 20.54 O ATOM 889 CB LYS A 98 36.837 6.945 20.744 1.00 18.86 C ATOM 890 CG LYS A 98 37.771 7.895 21.495 1.00 18.95 C ATOM 891 CD LYS A 98 37.148 9.266 21.699 1.00 29.42 C ATOM 892 CE LYS A 98 38.079 10.169 22.498 1.00 42.05 C ATOM 893 NZ LYS A 98 37.568 11.565 22.597 1.00 47.54 N ATOM 894 HZ1 LYS A 98 37.471 11.966 21.642 1.00 0.00 H ATOM 895 HZ2 LYS A 98 36.641 11.561 23.068 1.00 0.00 H ATOM 896 HZ3 LYS A 98 38.236 12.139 23.150 1.00 0.00 H ATOM 897 H LYS A 98 35.559 4.847 19.704 1.00 0.00 H ATOM 898 N THR A 99 36.576 4.659 22.645 1.00 23.09 N ATOM 899 CA THR A 99 36.711 4.028 23.951 1.00 21.23 C ATOM 900 C THR A 99 36.715 2.510 23.863 1.00 26.02 C ATOM 901 O THR A 99 37.223 1.850 24.778 1.00 26.57 O ATOM 902 CB THR A 99 35.588 4.488 24.887 1.00 23.47 C ATOM 903 OG1 THR A 99 34.317 4.198 24.294 1.00 21.94 O ATOM 904 CG2 THR A 99 35.688 5.985 25.135 1.00 19.97 C ATOM 905 HG1 THR A 99 33.595 4.497 24.902 1.00 0.00 H ATOM 906 H THR A 99 35.637 4.947 22.302 1.00 0.00 H ATOM 907 N GLN A 100 36.181 1.950 22.777 1.00 21.65 N ATOM 908 CA GLN A 100 36.055 0.503 22.615 1.00 23.96 C ATOM 909 C GLN A 100 35.320 -0.115 23.799 1.00 23.30 C ATOM 910 O GLN A 100 35.685 -1.176 24.308 1.00 24.46 O ATOM 911 CB GLN A 100 37.419 -0.148 22.404 1.00 20.65 C ATOM 912 CG GLN A 100 38.030 0.208 21.066 1.00 18.91 C ATOM 913 CD GLN A 100 39.269 -0.593 20.763 1.00 24.10 C ATOM 914 OE1 GLN A 100 39.713 -1.404 21.574 1.00 31.26 O ATOM 915 NE2 GLN A 100 39.840 -0.372 19.585 1.00 28.11 N ATOM 916 HE22 GLN A 100 39.429 0.324 18.930 1.00 0.00 H ATOM 917 HE21 GLN A 100 40.698 -0.895 19.317 1.00 0.00 H ATOM 918 H GLN A 100 35.840 2.569 22.014 1.00 0.00 H ATOM 919 N THR A 101 34.268 0.567 24.242 1.00 23.13 N ATOM 920 CA THR A 101 33.410 0.081 25.313 1.00 25.15 C ATOM 921 C THR A 101 32.181 -0.653 24.797 1.00 28.36 C ATOM 922 O THR A 101 31.354 -1.089 25.603 1.00 23.72 O ATOM 923 CB THR A 101 32.969 1.243 26.210 1.00 27.71 C ATOM 924 OG1 THR A 101 32.573 2.356 25.398 1.00 24.76 O ATOM 925 CG2 THR A 101 34.104 1.663 27.132 1.00 30.80 C ATOM 926 HG1 THR A 101 33.338 2.644 24.839 1.00 0.00 H ATOM 927 H THR A 101 34.049 1.485 23.806 1.00 0.00 H ATOM 928 N ILE A 102 32.033 -0.791 23.484 1.00 22.08 N ATOM 929 CA ILE A 102 30.899 -1.484 22.887 1.00 28.04 C ATOM 930 C ILE A 102 31.403 -2.848 22.430 1.00 24.30 C ATOM 931 O ILE A 102 32.082 -2.970 21.407 1.00 22.24 O ATOM 932 CB ILE A 102 30.285 -0.683 21.737 1.00 29.57 C ATOM 933 CG1 ILE A 102 29.642 0.595 22.281 1.00 24.05 C ATOM 934 CG2 ILE A 102 29.260 -1.523 20.990 1.00 29.30 C ATOM 935 CD1 ILE A 102 28.864 1.380 21.253 1.00 24.62 C ATOM 936 H ILE A 102 32.757 -0.387 22.856 1.00 0.00 H ATOM 937 N ARG A 103 31.075 -3.886 23.193 1.00 21.86 N ATOM 938 CA ARG A 103 31.520 -5.234 22.881 1.00 24.28 C ATOM 939 C ARG A 103 30.372 -6.215 22.713 1.00 28.38 C ATOM 940 O ARG A 103 30.615 -7.374 22.357 1.00 34.34 O ATOM 941 CB ARG A 103 32.468 -5.747 23.972 1.00 25.81 C ATOM 942 CG ARG A 103 33.735 -4.923 24.114 1.00 24.81 C ATOM 943 CD ARG A 103 34.639 -5.498 25.195 1.00 43.55 C ATOM 944 NE ARG A 103 34.865 -4.558 26.283 1.00 58.24 N ATOM 945 CZ ARG A 103 35.818 -3.634 26.286 1.00 72.25 C ATOM 946 NH1 ARG A 103 35.943 -2.826 27.332 1.00 79.88 N ATOM 947 NH2 ARG A 103 36.636 -3.508 25.248 1.00 71.16 N ATOM 948 HE ARG A 103 34.239 -4.614 27.112 1.00 0.00 H ATOM 949 HH12 ARG A 103 36.687 -2.100 27.342 1.00 0.00 H ATOM 950 HH11 ARG A 103 35.297 -2.920 28.141 1.00 0.00 H ATOM 951 HH22 ARG A 103 37.380 -2.782 25.258 1.00 0.00 H ATOM 952 HH21 ARG A 103 36.533 -4.136 24.425 1.00 0.00 H ATOM 953 H ARG A 103 30.485 -3.729 24.035 1.00 0.00 H ATOM 954 N SER A 104 29.134 -5.790 22.955 1.00 25.77 N ATOM 955 CA SER A 104 27.991 -6.688 22.914 1.00 23.57 C ATOM 956 C SER A 104 26.734 -5.881 22.632 1.00 20.63 C ATOM 957 O SER A 104 26.731 -4.650 22.705 1.00 20.06 O ATOM 958 CB SER A 104 27.842 -7.455 24.229 1.00 24.76 C ATOM 959 OG SER A 104 27.538 -6.560 25.285 1.00 25.64 O ATOM 960 HG SER A 104 28.269 -5.898 25.376 1.00 0.00 H ATOM 961 H SER A 104 28.980 -4.786 23.180 1.00 0.00 H ATOM 962 N ALA A 105 25.651 -6.599 22.325 1.00 19.42 N ATOM 963 CA ALA A 105 24.374 -5.930 22.105 1.00 26.26 C ATOM 964 C ALA A 105 23.919 -5.181 23.351 1.00 24.39 C ATOM 965 O ALA A 105 23.277 -4.132 23.242 1.00 23.53 O ATOM 966 CB ALA A 105 23.313 -6.943 21.667 1.00 23.24 C ATOM 967 H ALA A 105 25.718 -7.634 22.243 1.00 0.00 H ATOM 968 N SER A 106 24.246 -5.698 24.539 1.00 21.56 N ATOM 969 CA SER A 106 23.908 -4.996 25.773 1.00 17.99 C ATOM 970 C SER A 106 24.615 -3.646 25.851 1.00 19.95 C ATOM 971 O SER A 106 24.015 -2.647 26.265 1.00 18.24 O ATOM 972 CB SER A 106 24.261 -5.865 26.982 1.00 22.15 C ATOM 973 OG SER A 106 23.892 -5.227 28.191 1.00 30.51 O ATOM 974 HG SER A 106 24.373 -4.365 28.268 1.00 0.00 H ATOM 975 H SER A 106 24.746 -6.609 24.585 1.00 0.00 H ATOM 976 N ASP A 107 25.887 -3.594 25.446 1.00 20.46 N ATOM 977 CA ASP A 107 26.617 -2.327 25.446 1.00 21.43 C ATOM 978 C ASP A 107 25.985 -1.324 24.490 1.00 24.83 C ATOM 979 O ASP A 107 25.950 -0.121 24.777 1.00 23.27 O ATOM 980 CB ASP A 107 28.082 -2.559 25.074 1.00 21.55 C ATOM 981 CG ASP A 107 28.806 -3.449 26.066 1.00 26.94 C ATOM 982 OD1 ASP A 107 28.391 -3.498 27.244 1.00 21.43 O ATOM 983 OD2 ASP A 107 29.787 -4.107 25.660 1.00 20.25 O ATOM 984 H ASP A 107 26.362 -4.463 25.128 1.00 0.00 H ATOM 985 N ILE A 108 25.494 -1.794 23.341 1.00 18.51 N ATOM 986 CA ILE A 108 24.800 -0.899 22.419 1.00 16.30 C ATOM 987 C ILE A 108 23.535 -0.360 23.070 1.00 22.70 C ATOM 988 O ILE A 108 23.236 0.838 22.997 1.00 25.64 O ATOM 989 CB ILE A 108 24.484 -1.616 21.096 1.00 24.14 C ATOM 990 CG1 ILE A 108 25.770 -1.987 20.358 1.00 17.37 C ATOM 991 CG2 ILE A 108 23.611 -0.735 20.223 1.00 15.64 C ATOM 992 CD1 ILE A 108 25.590 -3.118 19.358 1.00 24.30 C ATOM 993 H ILE A 108 25.606 -2.800 23.102 1.00 0.00 H ATOM 994 N ARG A 109 22.775 -1.243 23.721 1.00 17.00 N ATOM 995 CA ARG A 109 21.574 -0.810 24.426 1.00 17.49 C ATOM 996 C ARG A 109 21.903 0.250 25.471 1.00 22.03 C ATOM 997 O ARG A 109 21.129 1.195 25.669 1.00 29.88 O ATOM 998 CB ARG A 109 20.891 -2.019 25.066 1.00 18.03 C ATOM 999 CG ARG A 109 19.588 -1.718 25.790 1.00 20.48 C ATOM 1000 CD ARG A 109 18.986 -3.004 26.345 1.00 29.62 C ATOM 1001 NE ARG A 109 17.714 -2.792 27.029 1.00 30.34 N ATOM 1002 CZ ARG A 109 17.604 -2.414 28.299 1.00 30.81 C ATOM 1003 NH1 ARG A 109 18.693 -2.194 29.024 1.00 22.39 N ATOM 1004 NH2 ARG A 109 16.405 -2.253 28.843 1.00 26.38 N ATOM 1005 HE ARG A 109 16.839 -2.946 26.489 1.00 0.00 H ATOM 1006 HH12 ARG A 109 18.605 -1.898 30.017 1.00 0.00 H ATOM 1007 HH11 ARG A 109 19.634 -2.317 28.599 1.00 0.00 H ATOM 1008 HH22 ARG A 109 16.320 -1.957 29.836 1.00 0.00 H ATOM 1009 HH21 ARG A 109 15.550 -2.422 28.276 1.00 0.00 H ATOM 1010 H ARG A 109 23.041 -2.248 23.726 1.00 0.00 H ATOM 1011 N ASP A 110 23.059 0.123 26.132 1.00 20.44 N ATOM 1012 CA ASP A 110 23.456 1.106 27.140 1.00 19.20 C ATOM 1013 C ASP A 110 23.587 2.500 26.538 1.00 20.37 C ATOM 1014 O ASP A 110 23.266 3.500 27.193 1.00 20.64 O ATOM 1015 CB ASP A 110 24.777 0.696 27.792 1.00 22.93 C ATOM 1016 CG ASP A 110 24.616 -0.429 28.797 1.00 23.72 C ATOM 1017 OD1 ASP A 110 23.467 -0.748 29.166 1.00 25.93 O ATOM 1018 OD2 ASP A 110 25.649 -0.982 29.229 1.00 25.98 O ATOM 1019 H ASP A 110 23.683 -0.684 25.927 1.00 0.00 H ATOM 1020 N VAL A 111 24.073 2.588 25.298 1.00 17.85 N ATOM 1021 CA VAL A 111 24.219 3.884 24.640 1.00 22.29 C ATOM 1022 C VAL A 111 22.861 4.555 24.480 1.00 24.45 C ATOM 1023 O VAL A 111 22.708 5.755 24.742 1.00 25.39 O ATOM 1024 CB VAL A 111 24.938 3.714 23.288 1.00 27.36 C ATOM 1025 CG1 VAL A 111 24.814 4.972 22.444 1.00 26.72 C ATOM 1026 CG2 VAL A 111 26.402 3.370 23.514 1.00 25.01 C ATOM 1027 H VAL A 111 24.351 1.722 24.794 1.00 0.00 H ATOM 1028 N PHE A 112 21.851 3.784 24.067 1.00 23.20 N ATOM 1029 CA PHE A 112 20.500 4.322 23.938 1.00 22.98 C ATOM 1030 C PHE A 112 19.921 4.698 25.297 1.00 25.81 C ATOM 1031 O PHE A 112 19.252 5.730 25.426 1.00 32.00 O ATOM 1032 CB PHE A 112 19.599 3.304 23.239 1.00 17.76 C ATOM 1033 CG PHE A 112 19.850 3.179 21.759 1.00 19.49 C ATOM 1034 CD1 PHE A 112 20.976 2.522 21.283 1.00 16.50 C ATOM 1035 CD2 PHE A 112 18.955 3.708 20.847 1.00 17.04 C ATOM 1036 CE1 PHE A 112 21.204 2.398 19.920 1.00 17.88 C ATOM 1037 CE2 PHE A 112 19.178 3.590 19.487 1.00 16.51 C ATOM 1038 CZ PHE A 112 20.303 2.932 19.024 1.00 16.10 C ATOM 1039 H PHE A 112 22.030 2.786 23.834 1.00 0.00 H ATOM 1040 N ILE A 113 20.154 3.866 26.318 1.00 19.32 N ATOM 1041 CA ILE A 113 19.689 4.190 27.666 1.00 20.36 C ATOM 1042 C ILE A 113 20.297 5.508 28.126 1.00 26.00 C ATOM 1043 O ILE A 113 19.601 6.394 28.636 1.00 29.41 O ATOM 1044 CB ILE A 113 20.026 3.050 28.645 1.00 26.71 C ATOM 1045 CG1 ILE A 113 19.296 1.762 28.260 1.00 24.96 C ATOM 1046 CG2 ILE A 113 19.670 3.452 30.071 1.00 21.89 C ATOM 1047 CD1 ILE A 113 17.813 1.932 28.111 1.00 28.74 C ATOM 1048 H ILE A 113 20.671 2.979 26.151 1.00 0.00 H ATOM 1049 N ASN A 114 21.612 5.655 27.944 1.00 24.07 N ATOM 1050 CA ASN A 114 22.296 6.875 28.357 1.00 25.19 C ATOM 1051 C ASN A 114 21.809 8.088 27.577 1.00 25.25 C ATOM 1052 O ASN A 114 21.814 9.205 28.105 1.00 21.58 O ATOM 1053 CB ASN A 114 23.807 6.700 28.191 1.00 25.82 C ATOM 1054 CG ASN A 114 24.598 7.851 28.780 1.00 32.18 C ATOM 1055 OD1 ASN A 114 24.534 8.114 29.980 1.00 29.13 O ATOM 1056 ND2 ASN A 114 25.354 8.542 27.935 1.00 33.15 N ATOM 1057 HD22 ASN A 114 25.377 8.284 26.928 1.00 0.00 H ATOM 1058 HD21 ASN A 114 25.923 9.341 28.280 1.00 0.00 H ATOM 1059 H ASN A 114 22.157 4.888 27.501 1.00 0.00 H ATOM 1060 N ALA A 115 21.386 7.895 26.329 1.00 24.02 N ATOM 1061 CA ALA A 115 20.889 8.992 25.510 1.00 26.53 C ATOM 1062 C ALA A 115 19.447 9.364 25.823 1.00 30.96 C ATOM 1063 O ALA A 115 18.907 10.270 25.179 1.00 37.39 O ATOM 1064 CB ALA A 115 21.023 8.645 24.022 1.00 18.89 C ATOM 1065 H ALA A 115 21.411 6.935 25.929 1.00 0.00 H ATOM 1066 N GLY A 116 18.812 8.696 26.781 1.00 27.80 N ATOM 1067 CA GLY A 116 17.468 9.040 27.190 1.00 29.25 C ATOM 1068 C GLY A 116 16.360 8.195 26.604 1.00 29.48 C ATOM 1069 O GLY A 116 15.186 8.502 26.837 1.00 30.56 O ATOM 1070 H GLY A 116 19.295 7.903 27.250 1.00 0.00 H ATOM 1071 N ILE A 117 16.686 7.152 25.849 1.00 28.28 N ATOM 1072 CA ILE A 117 15.670 6.246 25.326 1.00 28.77 C ATOM 1073 C ILE A 117 15.313 5.240 26.411 1.00 25.08 C ATOM 1074 O ILE A 117 16.193 4.577 26.973 1.00 31.08 O ATOM 1075 CB ILE A 117 16.165 5.541 24.051 1.00 32.27 C ATOM 1076 CG1 ILE A 117 16.306 6.539 22.896 1.00 26.84 C ATOM 1077 CG2 ILE A 117 15.223 4.407 23.671 1.00 21.09 C ATOM 1078 CD1 ILE A 117 17.659 7.219 22.816 1.00 25.56 C ATOM 1079 H ILE A 117 17.687 6.978 25.626 1.00 0.00 H ATOM 1080 N LYS A 118 14.023 5.135 26.720 1.00 23.71 N ATOM 1081 CA LYS A 118 13.586 4.245 27.786 1.00 30.25 C ATOM 1082 C LYS A 118 13.906 2.796 27.438 1.00 29.65 C ATOM 1083 O LYS A 118 13.869 2.397 26.271 1.00 29.33 O ATOM 1084 CB LYS A 118 12.086 4.414 28.034 1.00 39.99 C ATOM 1085 CG LYS A 118 11.706 5.766 28.622 1.00 44.81 C ATOM 1086 CD LYS A 118 10.245 5.797 29.050 1.00 51.67 C ATOM 1087 CE LYS A 118 9.804 7.201 29.448 1.00 60.78 C ATOM 1088 NZ LYS A 118 9.556 8.069 28.261 1.00 63.05 N ATOM 1089 HZ1 LYS A 118 10.430 8.149 27.703 1.00 0.00 H ATOM 1090 HZ2 LYS A 118 8.807 7.648 27.675 1.00 0.00 H ATOM 1091 HZ3 LYS A 118 9.259 9.013 28.580 1.00 0.00 H ATOM 1092 H LYS A 118 13.320 5.694 26.195 1.00 0.00 H ATOM 1093 N GLY A 119 14.237 2.012 28.467 1.00 25.89 N ATOM 1094 CA GLY A 119 14.573 0.614 28.244 1.00 26.72 C ATOM 1095 C GLY A 119 13.443 -0.154 27.589 1.00 26.61 C ATOM 1096 O GLY A 119 13.665 -0.938 26.663 1.00 33.80 O ATOM 1097 H GLY A 119 14.255 2.402 29.431 1.00 0.00 H ATOM 1098 N GLU A 120 12.218 0.066 28.065 1.00 30.90 N ATOM 1099 CA GLU A 120 11.053 -0.560 27.449 1.00 34.63 C ATOM 1100 C GLU A 120 10.886 -0.108 26.004 1.00 34.66 C ATOM 1101 O GLU A 120 10.462 -0.891 25.146 1.00 36.09 O ATOM 1102 CB GLU A 120 9.800 -0.237 28.264 1.00 38.80 C ATOM 1103 CG GLU A 120 10.053 -0.062 29.758 1.00 41.76 C ATOM 1104 CD GLU A 120 10.417 1.365 30.136 1.00 40.77 C ATOM 1105 OE1 GLU A 120 9.585 2.273 29.921 1.00 39.30 O ATOM 1106 OE2 GLU A 120 11.537 1.577 30.648 1.00 32.23 O ATOM 1107 H GLU A 120 12.091 0.692 28.886 1.00 0.00 H ATOM 1108 N GLU A 121 11.214 1.154 25.717 1.00 34.76 N ATOM 1109 CA GLU A 121 11.124 1.664 24.352 1.00 37.34 C ATOM 1110 C GLU A 121 12.105 0.942 23.438 1.00 35.57 C ATOM 1111 O GLU A 121 11.749 0.508 22.336 1.00 28.94 O ATOM 1112 CB GLU A 121 11.411 3.165 24.338 1.00 48.58 C ATOM 1113 CG GLU A 121 10.209 4.074 24.199 1.00 61.17 C ATOM 1114 CD GLU A 121 10.621 5.497 23.861 1.00 67.79 C ATOM 1115 OE1 GLU A 121 10.450 5.906 22.692 1.00 65.57 O ATOM 1116 OE2 GLU A 121 11.133 6.199 24.761 1.00 65.33 O ATOM 1117 H GLU A 121 11.539 1.784 26.478 1.00 0.00 H ATOM 1118 N TYR A 122 13.355 0.816 23.886 1.00 28.36 N ATOM 1119 CA TYR A 122 14.388 0.188 23.071 1.00 25.43 C ATOM 1120 C TYR A 122 14.073 -1.279 22.811 1.00 26.17 C ATOM 1121 O TYR A 122 14.105 -1.740 21.664 1.00 34.78 O ATOM 1122 CB TYR A 122 15.745 0.329 23.760 1.00 22.96 C ATOM 1123 CG TYR A 122 16.898 -0.202 22.946 1.00 23.30 C ATOM 1124 CD1 TYR A 122 17.524 0.593 22.000 1.00 17.67 C ATOM 1125 CD2 TYR A 122 17.361 -1.498 23.123 1.00 25.81 C ATOM 1126 CE1 TYR A 122 18.574 0.116 21.252 1.00 20.66 C ATOM 1127 CE2 TYR A 122 18.415 -1.985 22.379 1.00 24.04 C ATOM 1128 CZ TYR A 122 19.017 -1.172 21.444 1.00 16.93 C ATOM 1129 OH TYR A 122 20.067 -1.646 20.695 1.00 22.83 O ATOM 1130 HH TYR A 122 20.808 -1.909 21.297 1.00 0.00 H ATOM 1131 H TYR A 122 13.597 1.172 24.833 1.00 0.00 H ATOM 1132 N ASP A 123 13.771 -2.031 23.872 1.00 24.92 N ATOM 1133 CA ASP A 123 13.549 -3.465 23.721 1.00 19.88 C ATOM 1134 C ASP A 123 12.341 -3.752 22.840 1.00 23.90 C ATOM 1135 O ASP A 123 12.355 -4.702 22.050 1.00 26.77 O ATOM 1136 CB ASP A 123 13.390 -4.113 25.096 1.00 24.18 C ATOM 1137 CG ASP A 123 14.577 -3.846 25.996 1.00 24.10 C ATOM 1138 OD1 ASP A 123 15.670 -3.578 25.456 1.00 24.83 O ATOM 1139 OD2 ASP A 123 14.422 -3.896 27.232 1.00 28.74 O ATOM 1140 H ASP A 123 13.694 -1.592 24.812 1.00 0.00 H ATOM 1141 N ALA A 124 11.291 -2.933 22.952 1.00 30.33 N ATOM 1142 CA ALA A 124 10.106 -3.132 22.125 1.00 31.95 C ATOM 1143 C ALA A 124 10.413 -2.884 20.654 1.00 32.96 C ATOM 1144 O ALA A 124 9.985 -3.654 19.787 1.00 36.11 O ATOM 1145 CB ALA A 124 8.973 -2.223 22.601 1.00 29.93 C ATOM 1146 H ALA A 124 11.319 -2.148 23.634 1.00 0.00 H ATOM 1147 N ALA A 125 11.149 -1.811 20.353 1.00 23.59 N ATOM 1148 CA ALA A 125 11.567 -1.568 18.977 1.00 21.06 C ATOM 1149 C ALA A 125 12.518 -2.653 18.495 1.00 25.43 C ATOM 1150 O ALA A 125 12.382 -3.150 17.370 1.00 25.55 O ATOM 1151 CB ALA A 125 12.222 -0.192 18.860 1.00 19.37 C ATOM 1152 H ALA A 125 11.425 -1.146 21.103 1.00 0.00 H ATOM 1153 N TRP A 126 13.481 -3.037 19.337 1.00 22.62 N ATOM 1154 CA TRP A 126 14.487 -4.013 18.932 1.00 18.79 C ATOM 1155 C TRP A 126 13.847 -5.315 18.467 1.00 22.49 C ATOM 1156 O TRP A 126 14.308 -5.932 17.499 1.00 30.65 O ATOM 1157 CB TRP A 126 15.452 -4.270 20.089 1.00 19.86 C ATOM 1158 CG TRP A 126 16.470 -5.323 19.796 1.00 21.96 C ATOM 1159 CD1 TRP A 126 16.327 -6.672 19.961 1.00 24.62 C ATOM 1160 CD2 TRP A 126 17.793 -5.119 19.290 1.00 18.18 C ATOM 1161 NE1 TRP A 126 17.479 -7.319 19.584 1.00 27.89 N ATOM 1162 CE2 TRP A 126 18.395 -6.388 19.170 1.00 26.27 C ATOM 1163 CE3 TRP A 126 18.527 -3.987 18.925 1.00 18.95 C ATOM 1164 CZ2 TRP A 126 19.695 -6.555 18.703 1.00 24.52 C ATOM 1165 CZ3 TRP A 126 19.820 -4.155 18.462 1.00 27.78 C ATOM 1166 CH2 TRP A 126 20.390 -5.429 18.356 1.00 18.17 C ATOM 1167 HE1 TRP A 126 17.631 -8.348 19.609 1.00 0.00 H ATOM 1168 H TRP A 126 13.514 -2.634 20.295 1.00 0.00 H ATOM 1169 N ASN A 127 12.776 -5.743 19.133 1.00 24.30 N ATOM 1170 CA ASN A 127 12.114 -7.000 18.818 1.00 28.60 C ATOM 1171 C ASN A 127 10.934 -6.837 17.871 1.00 29.89 C ATOM 1172 O ASN A 127 10.246 -7.823 17.587 1.00 31.79 O ATOM 1173 CB ASN A 127 11.651 -7.680 20.108 1.00 27.16 C ATOM 1174 CG ASN A 127 12.798 -7.967 21.051 1.00 36.41 C ATOM 1175 OD1 ASN A 127 13.616 -8.851 20.799 1.00 35.58 O ATOM 1176 ND2 ASN A 127 12.872 -7.212 22.141 1.00 39.56 N ATOM 1177 HD22 ASN A 127 12.158 -6.476 22.313 1.00 0.00 H ATOM 1178 HD21 ASN A 127 13.644 -7.357 22.822 1.00 0.00 H ATOM 1179 H ASN A 127 12.399 -5.158 19.906 1.00 0.00 H ATOM 1180 N SER A 128 10.687 -5.630 17.372 1.00 25.46 N ATOM 1181 CA SER A 128 9.525 -5.377 16.533 1.00 30.61 C ATOM 1182 C SER A 128 9.778 -5.815 15.096 1.00 33.54 C ATOM 1183 O SER A 128 10.916 -5.845 14.620 1.00 25.77 O ATOM 1184 CB SER A 128 9.161 -3.893 16.558 1.00 21.23 C ATOM 1185 OG SER A 128 10.128 -3.130 15.858 1.00 25.64 O ATOM 1186 HG SER A 128 11.013 -3.251 16.284 1.00 0.00 H ATOM 1187 H SER A 128 11.339 -4.849 17.586 1.00 0.00 H ATOM 1188 N PHE A 129 8.691 -6.154 14.401 1.00 30.07 N ATOM 1189 CA PHE A 129 8.784 -6.508 12.991 1.00 26.12 C ATOM 1190 C PHE A 129 8.966 -5.288 12.099 1.00 21.90 C ATOM 1191 O PHE A 129 9.493 -5.422 10.990 1.00 26.26 O ATOM 1192 CB PHE A 129 7.546 -7.303 12.570 1.00 31.64 C ATOM 1193 CG PHE A 129 7.577 -8.733 13.025 1.00 32.35 C ATOM 1194 CD1 PHE A 129 7.156 -9.080 14.298 1.00 32.39 C ATOM 1195 CD2 PHE A 129 8.059 -9.727 12.191 1.00 29.82 C ATOM 1196 CE1 PHE A 129 7.201 -10.392 14.723 1.00 29.73 C ATOM 1197 CE2 PHE A 129 8.107 -11.040 12.609 1.00 27.73 C ATOM 1198 CZ PHE A 129 7.678 -11.373 13.877 1.00 29.62 C ATOM 1199 H PHE A 129 7.764 -6.166 14.872 1.00 0.00 H ATOM 1200 N VAL A 130 8.547 -4.107 12.557 1.00 21.97 N ATOM 1201 CA VAL A 130 8.874 -2.877 11.841 1.00 29.19 C ATOM 1202 C VAL A 130 10.387 -2.719 11.732 1.00 20.58 C ATOM 1203 O VAL A 130 10.913 -2.325 10.684 1.00 25.98 O ATOM 1204 CB VAL A 130 8.216 -1.666 12.532 1.00 26.84 C ATOM 1205 CG1 VAL A 130 8.885 -0.364 12.103 1.00 25.57 C ATOM 1206 CG2 VAL A 130 6.726 -1.625 12.224 1.00 23.29 C ATOM 1207 H VAL A 130 7.984 -4.062 13.430 1.00 0.00 H ATOM 1208 N VAL A 131 11.111 -3.051 12.802 1.00 22.89 N ATOM 1209 CA VAL A 131 12.568 -2.949 12.767 1.00 19.05 C ATOM 1210 C VAL A 131 13.170 -4.094 11.955 1.00 18.97 C ATOM 1211 O VAL A 131 14.169 -3.909 11.250 1.00 27.93 O ATOM 1212 CB VAL A 131 13.124 -2.882 14.202 1.00 23.29 C ATOM 1213 CG1 VAL A 131 14.582 -3.310 14.258 1.00 22.42 C ATOM 1214 CG2 VAL A 131 12.976 -1.465 14.743 1.00 25.00 C ATOM 1215 H VAL A 131 10.636 -3.384 13.665 1.00 0.00 H ATOM 1216 N LYS A 132 12.561 -5.286 12.015 1.00 21.72 N ATOM 1217 CA LYS A 132 12.979 -6.372 11.127 1.00 22.87 C ATOM 1218 C LYS A 132 12.897 -5.950 9.666 1.00 32.04 C ATOM 1219 O LYS A 132 13.776 -6.285 8.863 1.00 28.29 O ATOM 1220 CB LYS A 132 12.120 -7.618 11.353 1.00 25.92 C ATOM 1221 CG LYS A 132 12.427 -8.395 12.617 1.00 31.33 C ATOM 1222 CD LYS A 132 11.810 -9.787 12.565 1.00 43.51 C ATOM 1223 CE LYS A 132 11.643 -10.371 13.962 1.00 51.77 C ATOM 1224 NZ LYS A 132 12.878 -10.246 14.794 1.00 58.77 N ATOM 1225 HZ1 LYS A 132 13.660 -10.751 14.330 1.00 0.00 H ATOM 1226 HZ2 LYS A 132 13.125 -9.241 14.897 1.00 0.00 H ATOM 1227 HZ3 LYS A 132 12.706 -10.660 15.732 1.00 0.00 H ATOM 1228 H LYS A 132 11.789 -5.440 12.695 1.00 0.00 H ATOM 1229 N SER A 133 11.839 -5.223 9.301 1.00 28.25 N ATOM 1230 CA SER A 133 11.707 -4.760 7.925 1.00 24.50 C ATOM 1231 C SER A 133 12.737 -3.682 7.610 1.00 22.01 C ATOM 1232 O SER A 133 13.295 -3.653 6.508 1.00 28.83 O ATOM 1233 CB SER A 133 10.291 -4.242 7.674 1.00 28.14 C ATOM 1234 OG SER A 133 9.972 -3.177 8.552 1.00 29.72 O ATOM 1235 HG SER A 133 9.052 -2.863 8.367 1.00 0.00 H ATOM 1236 H SER A 133 11.107 -4.986 10.000 1.00 0.00 H ATOM 1237 N LEU A 134 13.014 -2.798 8.573 1.00 21.13 N ATOM 1238 CA LEU A 134 14.031 -1.771 8.364 1.00 21.34 C ATOM 1239 C LEU A 134 15.410 -2.392 8.172 1.00 21.47 C ATOM 1240 O LEU A 134 16.216 -1.899 7.374 1.00 22.60 O ATOM 1241 CB LEU A 134 14.041 -0.793 9.541 1.00 24.69 C ATOM 1242 CG LEU A 134 12.966 0.297 9.528 1.00 31.71 C ATOM 1243 CD1 LEU A 134 12.897 1.006 10.873 1.00 29.59 C ATOM 1244 CD2 LEU A 134 13.226 1.293 8.408 1.00 32.83 C ATOM 1245 H LEU A 134 12.502 -2.842 9.477 1.00 0.00 H ATOM 1246 N VAL A 135 15.699 -3.473 8.899 1.00 21.44 N ATOM 1247 CA VAL A 135 16.945 -4.205 8.688 1.00 23.94 C ATOM 1248 C VAL A 135 16.997 -4.766 7.272 1.00 23.24 C ATOM 1249 O VAL A 135 18.012 -4.643 6.575 1.00 22.80 O ATOM 1250 CB VAL A 135 17.095 -5.317 9.743 1.00 25.21 C ATOM 1251 CG1 VAL A 135 18.201 -6.287 9.349 1.00 25.63 C ATOM 1252 CG2 VAL A 135 17.368 -4.717 11.110 1.00 17.24 C ATOM 1253 H VAL A 135 15.029 -3.798 9.625 1.00 0.00 H ATOM 1254 N ALA A 136 15.903 -5.389 6.826 1.00 23.35 N ATOM 1255 CA ALA A 136 15.846 -5.903 5.462 1.00 26.61 C ATOM 1256 C ALA A 136 16.030 -4.788 4.440 1.00 25.09 C ATOM 1257 O ALA A 136 16.694 -4.982 3.416 1.00 25.66 O ATOM 1258 CB ALA A 136 14.522 -6.633 5.230 1.00 31.67 C ATOM 1259 H ALA A 136 15.085 -5.509 7.457 1.00 0.00 H ATOM 1260 N GLN A 137 15.454 -3.609 4.702 1.00 25.27 N ATOM 1261 CA GLN A 137 15.596 -2.498 3.765 1.00 20.83 C ATOM 1262 C GLN A 137 17.046 -2.045 3.663 1.00 19.18 C ATOM 1263 O GLN A 137 17.534 -1.740 2.568 1.00 22.14 O ATOM 1264 CB GLN A 137 14.702 -1.327 4.183 1.00 37.37 C ATOM 1265 CG GLN A 137 13.206 -1.588 4.070 1.00 44.01 C ATOM 1266 CD GLN A 137 12.370 -0.464 4.667 1.00 48.31 C ATOM 1267 OE1 GLN A 137 11.497 -0.701 5.504 1.00 49.89 O ATOM 1268 NE2 GLN A 137 12.637 0.766 4.237 1.00 39.44 N ATOM 1269 HE22 GLN A 137 13.383 0.919 3.529 1.00 0.00 H ATOM 1270 HE21 GLN A 137 12.099 1.575 4.609 1.00 0.00 H ATOM 1271 H GLN A 137 14.904 -3.484 5.575 1.00 0.00 H ATOM 1272 N GLN A 138 17.750 -1.986 4.797 1.00 18.36 N ATOM 1273 CA GLN A 138 19.163 -1.621 4.767 1.00 17.73 C ATOM 1274 C GLN A 138 19.976 -2.640 3.980 1.00 18.07 C ATOM 1275 O GLN A 138 20.841 -2.272 3.176 1.00 19.56 O ATOM 1276 CB GLN A 138 19.707 -1.497 6.189 1.00 16.98 C ATOM 1277 CG GLN A 138 19.033 -0.425 7.028 1.00 16.73 C ATOM 1278 CD GLN A 138 19.666 -0.281 8.401 1.00 16.12 C ATOM 1279 OE1 GLN A 138 20.720 0.337 8.544 1.00 15.67 O ATOM 1280 NE2 GLN A 138 19.020 -0.841 9.417 1.00 16.21 N ATOM 1281 HE22 GLN A 138 18.131 -1.354 9.249 1.00 0.00 H ATOM 1282 HE21 GLN A 138 19.403 -0.766 10.381 1.00 0.00 H ATOM 1283 H GLN A 138 17.290 -2.201 5.704 1.00 0.00 H ATOM 1284 N GLU A 139 19.712 -3.928 4.202 1.00 18.45 N ATOM 1285 CA GLU A 139 20.441 -4.967 3.483 1.00 26.87 C ATOM 1286 C GLU A 139 20.148 -4.923 1.987 1.00 22.19 C ATOM 1287 O GLU A 139 21.064 -5.063 1.169 1.00 24.29 O ATOM 1288 CB GLU A 139 20.095 -6.339 4.061 1.00 25.19 C ATOM 1289 CG GLU A 139 20.602 -6.550 5.482 1.00 27.10 C ATOM 1290 CD GLU A 139 20.407 -7.975 5.965 1.00 31.54 C ATOM 1291 OE1 GLU A 139 20.202 -8.871 5.118 1.00 31.00 O ATOM 1292 OE2 GLU A 139 20.454 -8.195 7.193 1.00 33.40 O ATOM 1293 H GLU A 139 18.981 -4.194 4.893 1.00 0.00 H ATOM 1294 N LYS A 140 18.882 -4.722 1.610 1.00 23.09 N ATOM 1295 CA LYS A 140 18.516 -4.734 0.194 1.00 21.76 C ATOM 1296 C LYS A 140 19.162 -3.576 -0.553 1.00 24.28 C ATOM 1297 O LYS A 140 19.678 -3.750 -1.664 1.00 29.15 O ATOM 1298 CB LYS A 140 16.995 -4.684 0.035 1.00 22.10 C ATOM 1299 CG LYS A 140 16.551 -4.574 -1.419 1.00 34.92 C ATOM 1300 CD LYS A 140 15.037 -4.512 -1.562 1.00 35.29 C ATOM 1301 CE LYS A 140 14.635 -4.317 -3.022 1.00 31.76 C ATOM 1302 NZ LYS A 140 15.597 -3.430 -3.741 1.00 34.28 N ATOM 1303 HZ1 LYS A 140 15.620 -2.499 -3.278 1.00 0.00 H ATOM 1304 HZ2 LYS A 140 16.546 -3.856 -3.714 1.00 0.00 H ATOM 1305 HZ3 LYS A 140 15.293 -3.320 -4.729 1.00 0.00 H ATOM 1306 H LYS A 140 18.150 -4.556 2.330 1.00 0.00 H ATOM 1307 N ALA A 141 19.130 -2.379 0.038 1.00 26.56 N ATOM 1308 CA ALA A 141 19.742 -1.220 -0.605 1.00 23.96 C ATOM 1309 C ALA A 141 21.231 -1.444 -0.835 1.00 25.95 C ATOM 1310 O ALA A 141 21.750 -1.151 -1.918 1.00 26.39 O ATOM 1311 CB ALA A 141 19.509 0.034 0.238 1.00 22.55 C ATOM 1312 H ALA A 141 18.666 -2.272 0.963 1.00 0.00 H ATOM 1313 N ALA A 142 21.932 -1.969 0.172 1.00 19.32 N ATOM 1314 CA ALA A 142 23.342 -2.301 -0.002 1.00 19.23 C ATOM 1315 C ALA A 142 23.528 -3.397 -1.045 1.00 29.86 C ATOM 1316 O ALA A 142 24.429 -3.316 -1.888 1.00 33.25 O ATOM 1317 CB ALA A 142 23.950 -2.728 1.334 1.00 18.50 C ATOM 1318 H ALA A 142 21.470 -2.143 1.087 1.00 0.00 H ATOM 1319 N ALA A 143 22.679 -4.428 -1.008 1.00 32.47 N ATOM 1320 CA ALA A 143 22.843 -5.550 -1.928 1.00 31.13 C ATOM 1321 C ALA A 143 22.603 -5.137 -3.373 1.00 28.08 C ATOM 1322 O ALA A 143 23.192 -5.721 -4.290 1.00 39.81 O ATOM 1323 CB ALA A 143 21.903 -6.694 -1.543 1.00 31.67 C ATOM 1324 H ALA A 143 21.898 -4.431 -0.321 1.00 0.00 H ATOM 1325 N ASP A 144 21.752 -4.132 -3.595 1.00 27.94 N ATOM 1326 CA ASP A 144 21.443 -3.695 -4.952 1.00 33.26 C ATOM 1327 C ASP A 144 22.677 -3.228 -5.717 1.00 44.53 C ATOM 1328 O ASP A 144 22.677 -3.273 -6.952 1.00 44.75 O ATOM 1329 CB ASP A 144 20.395 -2.580 -4.912 1.00 33.82 C ATOM 1330 CG ASP A 144 18.996 -3.106 -4.640 1.00 42.17 C ATOM 1331 OD1 ASP A 144 18.801 -4.337 -4.705 1.00 42.97 O ATOM 1332 OD2 ASP A 144 18.091 -2.291 -4.357 1.00 46.51 O ATOM 1333 H ASP A 144 21.303 -3.654 -2.788 1.00 0.00 H ATOM 1334 N VAL A 145 23.731 -2.794 -5.024 1.00 41.30 N ATOM 1335 CA VAL A 145 24.936 -2.290 -5.667 1.00 32.84 C ATOM 1336 C VAL A 145 26.184 -3.071 -5.265 1.00 46.60 C ATOM 1337 O VAL A 145 27.300 -2.621 -5.533 1.00 46.47 O ATOM 1338 CB VAL A 145 25.124 -0.784 -5.395 1.00 39.54 C ATOM 1339 CG1 VAL A 145 23.860 -0.018 -5.745 1.00 44.65 C ATOM 1340 CG2 VAL A 145 25.484 -0.562 -3.934 1.00 50.52 C ATOM 1341 H VAL A 145 23.690 -2.817 -3.985 1.00 0.00 H ATOM 1342 N GLN A 146 26.020 -4.239 -4.644 1.00 50.17 N ATOM 1343 CA GLN A 146 27.137 -5.108 -4.263 1.00 64.94 C ATOM 1344 C GLN A 146 28.198 -4.321 -3.491 1.00 66.37 C ATOM 1345 O GLN A 146 29.373 -4.261 -3.858 1.00 75.41 O ATOM 1346 CB GLN A 146 27.741 -5.792 -5.492 1.00 72.08 C ATOM 1347 H GLN A 146 25.053 -4.549 -4.419 1.00 0.00 H ATOM 1348 N LEU A 147 27.745 -3.702 -2.408 1.00 46.77 N ATOM 1349 CA LEU A 147 28.570 -2.768 -1.657 1.00 37.24 C ATOM 1350 C LEU A 147 29.647 -3.514 -0.877 1.00 49.18 C ATOM 1351 O LEU A 147 29.336 -4.359 -0.029 1.00 38.86 O ATOM 1352 CB LEU A 147 27.686 -1.958 -0.715 1.00 32.53 C ATOM 1353 CG LEU A 147 28.294 -0.748 -0.019 1.00 28.77 C ATOM 1354 CD1 LEU A 147 28.373 0.427 -0.977 1.00 32.12 C ATOM 1355 CD2 LEU A 147 27.446 -0.411 1.183 1.00 33.85 C ATOM 1356 H LEU A 147 26.774 -3.890 -2.087 1.00 0.00 H ATOM 1357 N ARG A 148 30.914 -3.199 -1.156 1.00 45.36 N ATOM 1358 CA ARG A 148 32.032 -3.782 -0.428 1.00 46.29 C ATOM 1359 C ARG A 148 32.871 -2.743 0.302 1.00 48.89 C ATOM 1360 O ARG A 148 33.879 -3.106 0.919 1.00 43.34 O ATOM 1361 CB ARG A 148 32.932 -4.590 -1.374 1.00 51.23 C ATOM 1362 CG ARG A 148 33.898 -3.748 -2.199 1.00 54.61 C ATOM 1363 CD ARG A 148 34.765 -4.616 -3.104 1.00 55.62 C ATOM 1364 NE ARG A 148 34.190 -4.760 -4.438 1.00 63.67 N ATOM 1365 CZ ARG A 148 34.736 -4.271 -5.548 1.00 71.11 C ATOM 1366 NH1 ARG A 148 34.136 -4.450 -6.718 1.00 68.94 N ATOM 1367 NH2 ARG A 148 35.884 -3.608 -5.493 1.00 76.08 N ATOM 1368 HE ARG A 148 33.293 -5.280 -4.526 1.00 0.00 H ATOM 1369 HH12 ARG A 148 34.563 -4.067 -7.585 1.00 0.00 H ATOM 1370 HH11 ARG A 148 33.238 -4.973 -6.767 1.00 0.00 H ATOM 1371 HH22 ARG A 148 36.307 -3.228 -6.364 1.00 0.00 H ATOM 1372 HH21 ARG A 148 36.361 -3.469 -4.579 1.00 0.00 H ATOM 1373 H ARG A 148 31.108 -2.517 -1.916 1.00 0.00 H ATOM 1374 N GLY A 149 32.489 -1.465 0.253 1.00 41.60 N ATOM 1375 CA GLY A 149 33.240 -0.426 0.930 1.00 30.31 C ATOM 1376 C GLY A 149 32.393 0.728 1.427 1.00 26.65 C ATOM 1377 O GLY A 149 31.435 1.142 0.766 1.00 29.67 O ATOM 1378 H GLY A 149 31.635 -1.209 -0.282 1.00 0.00 H ATOM 1379 N VAL A 150 32.744 1.249 2.598 1.00 20.66 N ATOM 1380 CA VAL A 150 32.099 2.428 3.176 1.00 18.48 C ATOM 1381 C VAL A 150 33.186 3.381 3.634 1.00 22.94 C ATOM 1382 O VAL A 150 34.324 2.960 3.912 1.00 23.24 O ATOM 1383 CB VAL A 150 31.155 2.047 4.345 1.00 20.39 C ATOM 1384 CG1 VAL A 150 29.877 1.417 3.814 1.00 15.90 C ATOM 1385 CG2 VAL A 150 31.861 1.123 5.330 1.00 17.89 C ATOM 1386 H VAL A 150 33.515 0.796 3.130 1.00 0.00 H ATOM 1387 N PRO A 151 32.886 4.693 3.728 1.00 18.52 N ATOM 1388 CA PRO A 151 31.598 5.346 3.467 1.00 22.98 C ATOM 1389 C PRO A 151 31.286 5.438 1.982 1.00 27.76 C ATOM 1390 O PRO A 151 32.182 5.663 1.171 1.00 28.99 O ATOM 1391 CB PRO A 151 31.785 6.740 4.069 1.00 25.71 C ATOM 1392 CG PRO A 151 33.234 6.997 3.941 1.00 18.15 C ATOM 1393 CD PRO A 151 33.914 5.666 4.135 1.00 23.22 C ATOM 1394 N ALA A 152 30.018 5.257 1.633 1.00 23.82 N ATOM 1395 CA ALA A 152 29.589 5.292 0.246 1.00 23.06 C ATOM 1396 C ALA A 152 28.351 6.162 0.128 1.00 21.90 C ATOM 1397 O ALA A 152 27.508 6.185 1.028 1.00 24.01 O ATOM 1398 CB ALA A 152 29.297 3.885 -0.284 1.00 23.61 C ATOM 1399 H ALA A 152 29.310 5.085 2.375 1.00 0.00 H ATOM 1400 N MET A 153 28.253 6.889 -0.979 1.00 21.30 N ATOM 1401 CA MET A 153 27.067 7.675 -1.270 1.00 23.43 C ATOM 1402 C MET A 153 26.670 7.454 -2.717 1.00 23.51 C ATOM 1403 O MET A 153 27.523 7.470 -3.609 1.00 26.00 O ATOM 1404 CB MET A 153 27.284 9.163 -1.018 1.00 25.45 C ATOM 1405 CG MET A 153 25.999 9.953 -1.180 1.00 24.65 C ATOM 1406 SD MET A 153 26.242 11.726 -1.119 1.00 29.09 S ATOM 1407 CE MET A 153 26.591 11.980 0.614 1.00 21.94 C ATOM 1408 H MET A 153 29.044 6.896 -1.654 1.00 0.00 H ATOM 1409 N PHE A 154 25.377 7.252 -2.941 1.00 24.04 N ATOM 1410 CA PHE A 154 24.828 7.048 -4.271 1.00 22.03 C ATOM 1411 C PHE A 154 23.774 8.108 -4.541 1.00 28.19 C ATOM 1412 O PHE A 154 22.986 8.455 -3.656 1.00 31.63 O ATOM 1413 CB PHE A 154 24.233 5.643 -4.411 1.00 21.72 C ATOM 1414 CG PHE A 154 25.218 4.541 -4.134 1.00 27.69 C ATOM 1415 CD1 PHE A 154 25.447 4.103 -2.837 1.00 26.13 C ATOM 1416 CD2 PHE A 154 25.925 3.952 -5.168 1.00 26.04 C ATOM 1417 CE1 PHE A 154 26.360 3.095 -2.581 1.00 21.39 C ATOM 1418 CE2 PHE A 154 26.836 2.944 -4.920 1.00 27.37 C ATOM 1419 CZ PHE A 154 27.053 2.515 -3.624 1.00 25.15 C ATOM 1420 H PHE A 154 24.728 7.239 -2.128 1.00 0.00 H ATOM 1421 N VAL A 155 23.770 8.629 -5.763 1.00 22.23 N ATOM 1422 CA VAL A 155 22.857 9.693 -6.160 1.00 23.14 C ATOM 1423 C VAL A 155 21.906 9.131 -7.208 1.00 26.45 C ATOM 1424 O VAL A 155 22.345 8.623 -8.248 1.00 29.60 O ATOM 1425 CB VAL A 155 23.616 10.922 -6.683 1.00 23.61 C ATOM 1426 CG1 VAL A 155 22.648 11.940 -7.260 1.00 28.68 C ATOM 1427 CG2 VAL A 155 24.448 11.541 -5.561 1.00 22.60 C ATOM 1428 H VAL A 155 24.445 8.263 -6.464 1.00 0.00 H ATOM 1429 N ASN A 156 20.604 9.195 -6.911 1.00 30.94 N ATOM 1430 CA ASN A 156 19.544 8.765 -7.827 1.00 38.62 C ATOM 1431 C ASN A 156 19.760 7.338 -8.322 1.00 43.17 C ATOM 1432 O ASN A 156 19.411 7.000 -9.455 1.00 48.01 O ATOM 1433 CB ASN A 156 19.414 9.728 -9.006 1.00 34.31 C ATOM 1434 CG ASN A 156 18.863 11.074 -8.592 1.00 42.94 C ATOM 1435 OD1 ASN A 156 17.977 11.157 -7.742 1.00 48.47 O ATOM 1436 ND2 ASN A 156 19.394 12.140 -9.182 1.00 41.86 N ATOM 1437 HD22 ASN A 156 20.141 12.021 -9.895 1.00 0.00 H ATOM 1438 HD21 ASN A 156 19.062 13.093 -8.930 1.00 0.00 H ATOM 1439 H ASN A 156 20.329 9.570 -5.981 1.00 0.00 H ATOM 1440 N GLY A 157 20.337 6.492 -7.472 1.00 29.92 N ATOM 1441 CA GLY A 157 20.558 5.102 -7.823 1.00 28.18 C ATOM 1442 C GLY A 157 21.396 4.878 -9.060 1.00 38.29 C ATOM 1443 O GLY A 157 21.346 3.791 -9.639 1.00 50.08 O ATOM 1444 H GLY A 157 20.636 6.835 -6.537 1.00 0.00 H ATOM 1445 N LYS A 158 22.172 5.870 -9.481 1.00 37.19 N ATOM 1446 CA LYS A 158 22.937 5.755 -10.718 1.00 39.08 C ATOM 1447 C LYS A 158 24.410 6.087 -10.550 1.00 43.45 C ATOM 1448 O LYS A 158 25.252 5.446 -11.184 1.00 43.02 O ATOM 1449 CB LYS A 158 22.326 6.663 -11.797 1.00 46.25 C ATOM 1450 H LYS A 158 22.235 6.743 -8.920 1.00 0.00 H ATOM 1451 N TYR A 159 24.744 7.067 -9.714 1.00 23.35 N ATOM 1452 CA TYR A 159 26.109 7.545 -9.574 1.00 28.61 C ATOM 1453 C TYR A 159 26.602 7.295 -8.158 1.00 26.37 C ATOM 1454 O TYR A 159 25.846 7.432 -7.193 1.00 26.03 O ATOM 1455 CB TYR A 159 26.194 9.035 -9.920 1.00 28.93 C ATOM 1456 CG TYR A 159 25.528 9.371 -11.238 1.00 31.94 C ATOM 1457 CD1 TYR A 159 26.103 8.990 -12.444 1.00 40.51 C ATOM 1458 CD2 TYR A 159 24.318 10.051 -11.275 1.00 29.43 C ATOM 1459 CE1 TYR A 159 25.498 9.287 -13.652 1.00 37.37 C ATOM 1460 CE2 TYR A 159 23.704 10.354 -12.479 1.00 45.02 C ATOM 1461 CZ TYR A 159 24.299 9.968 -13.663 1.00 46.35 C ATOM 1462 OH TYR A 159 23.697 10.264 -14.864 1.00 51.05 O ATOM 1463 HH TYR A 159 24.254 9.917 -15.605 1.00 0.00 H ATOM 1464 H TYR A 159 23.999 7.508 -9.138 1.00 0.00 H ATOM 1465 N GLN A 160 27.871 6.918 -8.045 1.00 26.09 N ATOM 1466 CA GLN A 160 28.512 6.662 -6.764 1.00 26.08 C ATOM 1467 C GLN A 160 29.641 7.661 -6.577 1.00 25.87 C ATOM 1468 O GLN A 160 30.453 7.861 -7.486 1.00 35.66 O ATOM 1469 CB GLN A 160 29.050 5.231 -6.696 1.00 26.22 C ATOM 1470 CG GLN A 160 29.770 4.893 -5.398 1.00 29.52 C ATOM 1471 CD GLN A 160 30.228 3.446 -5.348 1.00 39.86 C ATOM 1472 OE1 GLN A 160 29.865 2.637 -6.203 1.00 41.39 O ATOM 1473 NE2 GLN A 160 31.033 3.115 -4.346 1.00 36.32 N ATOM 1474 HE22 GLN A 160 31.314 3.831 -3.646 1.00 0.00 H ATOM 1475 HE21 GLN A 160 31.383 2.139 -4.261 1.00 0.00 H ATOM 1476 H GLN A 160 28.432 6.800 -8.913 1.00 0.00 H ATOM 1477 N LEU A 161 29.690 8.288 -5.407 1.00 27.35 N ATOM 1478 CA LEU A 161 30.749 9.244 -5.122 1.00 31.89 C ATOM 1479 C LEU A 161 32.088 8.524 -5.034 1.00 25.79 C ATOM 1480 O LEU A 161 32.173 7.399 -4.538 1.00 26.74 O ATOM 1481 CB LEU A 161 30.463 9.988 -3.816 1.00 33.97 C ATOM 1482 CG LEU A 161 29.589 11.248 -3.878 1.00 36.29 C ATOM 1483 CD1 LEU A 161 30.355 12.419 -4.479 1.00 25.28 C ATOM 1484 CD2 LEU A 161 28.294 11.004 -4.646 1.00 28.11 C ATOM 1485 H LEU A 161 28.964 8.094 -4.688 1.00 0.00 H ATOM 1486 N ASN A 162 33.140 9.176 -5.535 1.00 22.49 N ATOM 1487 CA ASN A 162 34.494 8.629 -5.523 1.00 28.00 C ATOM 1488 C ASN A 162 35.397 9.596 -4.751 1.00 25.10 C ATOM 1489 O ASN A 162 36.095 10.419 -5.353 1.00 32.94 O ATOM 1490 CB ASN A 162 35.021 8.407 -6.940 1.00 25.38 C ATOM 1491 CG ASN A 162 36.398 7.769 -6.954 1.00 36.17 C ATOM 1492 OD1 ASN A 162 36.760 7.029 -6.038 1.00 32.55 O ATOM 1493 ND2 ASN A 162 37.172 8.050 -7.995 1.00 35.18 N ATOM 1494 HD22 ASN A 162 36.825 8.680 -8.746 1.00 0.00 H ATOM 1495 HD21 ASN A 162 38.125 7.640 -8.060 1.00 0.00 H ATOM 1496 H ASN A 162 32.988 10.116 -5.953 1.00 0.00 H ATOM 1497 N PRO A 163 35.396 9.514 -3.416 1.00 25.76 N ATOM 1498 CA PRO A 163 36.238 10.447 -2.644 1.00 32.98 C ATOM 1499 C PRO A 163 37.729 10.204 -2.806 1.00 35.91 C ATOM 1500 O PRO A 163 38.519 11.088 -2.452 1.00 31.26 O ATOM 1501 CB PRO A 163 35.783 10.210 -1.196 1.00 32.37 C ATOM 1502 CG PRO A 163 35.242 8.821 -1.196 1.00 32.26 C ATOM 1503 CD PRO A 163 34.608 8.629 -2.548 1.00 17.83 C ATOM 1504 N GLN A 164 38.138 9.047 -3.338 1.00 31.73 N ATOM 1505 CA GLN A 164 39.560 8.779 -3.534 1.00 34.99 C ATOM 1506 C GLN A 164 40.183 9.731 -4.548 1.00 40.78 C ATOM 1507 O GLN A 164 41.391 9.987 -4.495 1.00 44.06 O ATOM 1508 CB GLN A 164 39.764 7.328 -3.974 1.00 35.33 C ATOM 1509 H GLN A 164 37.436 8.331 -3.615 1.00 0.00 H ATOM 1510 N GLY A 165 39.386 10.262 -5.472 1.00 41.35 N ATOM 1511 CA GLY A 165 39.897 11.202 -6.450 1.00 42.50 C ATOM 1512 C GLY A 165 39.713 12.654 -6.054 1.00 46.04 C ATOM 1513 O GLY A 165 39.672 13.536 -6.918 1.00 48.54 O ATOM 1514 H GLY A 165 38.380 9.998 -5.493 1.00 0.00 H ATOM 1515 N MET A 166 39.605 12.920 -4.755 1.00 38.17 N ATOM 1516 CA MET A 166 39.410 14.269 -4.249 1.00 30.22 C ATOM 1517 C MET A 166 40.582 14.665 -3.360 1.00 34.34 C ATOM 1518 O MET A 166 41.217 13.817 -2.726 1.00 42.57 O ATOM 1519 CB MET A 166 38.097 14.390 -3.470 1.00 25.32 C ATOM 1520 CG MET A 166 36.851 14.157 -4.316 1.00 21.01 C ATOM 1521 SD MET A 166 35.341 14.148 -3.330 1.00 25.84 S ATOM 1522 CE MET A 166 34.104 13.864 -4.595 1.00 25.73 C ATOM 1523 H MET A 166 39.662 12.134 -4.076 1.00 0.00 H ATOM 1524 N ASP A 167 40.855 15.966 -3.314 1.00 36.85 N ATOM 1525 CA ASP A 167 42.018 16.465 -2.593 1.00 39.33 C ATOM 1526 C ASP A 167 41.838 16.283 -1.091 1.00 31.10 C ATOM 1527 O ASP A 167 40.781 16.598 -0.537 1.00 25.98 O ATOM 1528 CB ASP A 167 42.251 17.935 -2.931 1.00 48.99 C ATOM 1529 H ASP A 167 40.228 16.638 -3.801 1.00 0.00 H ATOM 1530 N THR A 168 42.876 15.768 -0.430 1.00 27.20 N ATOM 1531 CA THR A 168 42.831 15.507 1.003 1.00 21.29 C ATOM 1532 C THR A 168 43.838 16.340 1.785 1.00 31.01 C ATOM 1533 O THR A 168 44.032 16.095 2.981 1.00 28.83 O ATOM 1534 CB THR A 168 43.059 14.019 1.286 1.00 27.67 C ATOM 1535 OG1 THR A 168 44.364 13.638 0.833 1.00 36.85 O ATOM 1536 CG2 THR A 168 42.007 13.173 0.582 1.00 33.44 C ATOM 1537 HG1 THR A 168 44.435 13.803 -0.141 1.00 0.00 H ATOM 1538 H THR A 168 43.746 15.545 -0.955 1.00 0.00 H ATOM 1539 N SER A 169 44.488 17.315 1.147 1.00 29.33 N ATOM 1540 CA SER A 169 45.387 18.198 1.876 1.00 37.20 C ATOM 1541 C SER A 169 44.631 19.161 2.778 1.00 31.72 C ATOM 1542 O SER A 169 45.202 19.661 3.753 1.00 26.63 O ATOM 1543 CB SER A 169 46.258 18.988 0.901 1.00 38.11 C ATOM 1544 OG SER A 169 45.481 19.931 0.187 1.00 46.12 O ATOM 1545 HG SER A 169 44.777 19.458 -0.323 1.00 0.00 H ATOM 1546 H SER A 169 44.352 17.445 0.124 1.00 0.00 H ATOM 1547 N ASN A 170 43.361 19.423 2.477 1.00 25.57 N ATOM 1548 CA ASN A 170 42.557 20.378 3.228 1.00 21.47 C ATOM 1549 C ASN A 170 41.192 19.754 3.470 1.00 24.92 C ATOM 1550 O ASN A 170 40.505 19.371 2.519 1.00 21.43 O ATOM 1551 CB ASN A 170 42.439 21.704 2.470 1.00 19.04 C ATOM 1552 CG ASN A 170 41.695 22.767 3.253 1.00 21.77 C ATOM 1553 OD1 ASN A 170 40.568 22.558 3.703 1.00 22.12 O ATOM 1554 ND2 ASN A 170 42.321 23.931 3.405 1.00 26.23 N ATOM 1555 HD22 ASN A 170 43.273 24.065 3.009 1.00 0.00 H ATOM 1556 HD21 ASN A 170 41.858 24.707 3.920 1.00 0.00 H ATOM 1557 H ASN A 170 42.925 18.926 1.674 1.00 0.00 H ATOM 1558 N MET A 171 40.817 19.641 4.747 1.00 18.53 N ATOM 1559 CA MET A 171 39.561 18.988 5.110 1.00 21.23 C ATOM 1560 C MET A 171 38.361 19.718 4.529 1.00 21.22 C ATOM 1561 O MET A 171 37.426 19.088 4.025 1.00 18.02 O ATOM 1562 CB MET A 171 39.425 18.916 6.630 1.00 22.50 C ATOM 1563 CG MET A 171 40.480 18.104 7.339 1.00 27.67 C ATOM 1564 SD MET A 171 39.992 17.890 9.058 1.00 34.05 S ATOM 1565 CE MET A 171 41.543 17.420 9.803 1.00 35.77 C ATOM 1566 H MET A 171 41.429 20.024 5.495 1.00 0.00 H ATOM 1567 N ASP A 172 38.357 21.047 4.616 1.00 22.63 N ATOM 1568 CA ASP A 172 37.194 21.806 4.177 1.00 19.08 C ATOM 1569 C ASP A 172 37.075 21.798 2.660 1.00 17.11 C ATOM 1570 O ASP A 172 35.963 21.756 2.120 1.00 16.92 O ATOM 1571 CB ASP A 172 37.277 23.226 4.724 1.00 17.60 C ATOM 1572 CG ASP A 172 37.254 23.253 6.236 1.00 26.05 C ATOM 1573 OD1 ASP A 172 36.242 22.812 6.822 1.00 31.79 O ATOM 1574 OD2 ASP A 172 38.255 23.691 6.839 1.00 24.16 O ATOM 1575 H ASP A 172 39.187 21.544 4.998 1.00 0.00 H ATOM 1576 N VAL A 173 38.207 21.815 1.956 1.00 17.50 N ATOM 1577 CA VAL A 173 38.168 21.718 0.499 1.00 21.91 C ATOM 1578 C VAL A 173 37.606 20.366 0.075 1.00 17.56 C ATOM 1579 O VAL A 173 36.808 20.275 -0.867 1.00 17.43 O ATOM 1580 CB VAL A 173 39.569 21.965 -0.090 1.00 24.16 C ATOM 1581 CG1 VAL A 173 39.570 21.720 -1.593 1.00 22.09 C ATOM 1582 CG2 VAL A 173 40.031 23.381 0.227 1.00 21.59 C ATOM 1583 H VAL A 173 39.121 21.898 2.446 1.00 0.00 H ATOM 1584 N PHE A 174 38.007 19.298 0.768 1.00 17.21 N ATOM 1585 CA PHE A 174 37.473 17.971 0.476 1.00 16.97 C ATOM 1586 C PHE A 174 35.956 17.943 0.630 1.00 16.56 C ATOM 1587 O PHE A 174 35.237 17.478 -0.262 1.00 22.78 O ATOM 1588 CB PHE A 174 38.135 16.936 1.390 1.00 21.14 C ATOM 1589 CG PHE A 174 37.542 15.558 1.285 1.00 19.85 C ATOM 1590 CD1 PHE A 174 38.021 14.658 0.348 1.00 18.41 C ATOM 1591 CD2 PHE A 174 36.525 15.154 2.138 1.00 16.13 C ATOM 1592 CE1 PHE A 174 37.485 13.381 0.250 1.00 17.42 C ATOM 1593 CE2 PHE A 174 35.986 13.878 2.045 1.00 25.43 C ATOM 1594 CZ PHE A 174 36.468 12.993 1.100 1.00 16.35 C ATOM 1595 H PHE A 174 38.709 19.413 1.526 1.00 0.00 H ATOM 1596 N VAL A 175 35.452 18.438 1.763 1.00 23.27 N ATOM 1597 CA VAL A 175 34.009 18.465 1.995 1.00 15.99 C ATOM 1598 C VAL A 175 33.313 19.278 0.914 1.00 19.70 C ATOM 1599 O VAL A 175 32.255 18.889 0.403 1.00 24.14 O ATOM 1600 CB VAL A 175 33.707 19.023 3.398 1.00 25.97 C ATOM 1601 CG1 VAL A 175 32.224 19.289 3.556 1.00 19.32 C ATOM 1602 CG2 VAL A 175 34.206 18.074 4.472 1.00 26.02 C ATOM 1603 H VAL A 175 36.095 18.810 2.491 1.00 0.00 H ATOM 1604 N GLN A 176 33.903 20.416 0.545 1.00 16.61 N ATOM 1605 CA GLN A 176 33.313 21.270 -0.477 1.00 18.63 C ATOM 1606 C GLN A 176 33.273 20.561 -1.825 1.00 19.18 C ATOM 1607 O GLN A 176 32.247 20.584 -2.515 1.00 18.64 O ATOM 1608 CB GLN A 176 34.103 22.576 -0.552 1.00 19.42 C ATOM 1609 CG GLN A 176 33.587 23.606 -1.529 1.00 31.18 C ATOM 1610 CD GLN A 176 34.297 24.937 -1.361 1.00 40.91 C ATOM 1611 OE1 GLN A 176 33.791 25.844 -0.700 1.00 54.95 O ATOM 1612 NE2 GLN A 176 35.487 25.051 -1.941 1.00 27.80 N ATOM 1613 HE22 GLN A 176 35.876 24.258 -2.490 1.00 0.00 H ATOM 1614 HE21 GLN A 176 36.030 25.933 -1.846 1.00 0.00 H ATOM 1615 H GLN A 176 34.798 20.698 0.994 1.00 0.00 H ATOM 1616 N GLN A 177 34.374 19.908 -2.208 1.00 19.80 N ATOM 1617 CA GLN A 177 34.392 19.152 -3.457 1.00 20.20 C ATOM 1618 C GLN A 177 33.398 17.998 -3.414 1.00 25.38 C ATOM 1619 O GLN A 177 32.718 17.714 -4.408 1.00 26.55 O ATOM 1620 CB GLN A 177 35.802 18.631 -3.732 1.00 21.19 C ATOM 1621 CG GLN A 177 36.813 19.718 -4.049 1.00 20.40 C ATOM 1622 CD GLN A 177 38.208 19.169 -4.266 1.00 21.64 C ATOM 1623 OE1 GLN A 177 38.476 18.001 -3.986 1.00 24.10 O ATOM 1624 NE2 GLN A 177 39.106 20.010 -4.767 1.00 19.42 N ATOM 1625 HE22 GLN A 177 38.834 20.989 -4.989 1.00 0.00 H ATOM 1626 HE21 GLN A 177 40.081 19.689 -4.937 1.00 0.00 H ATOM 1627 H GLN A 177 35.225 19.938 -1.611 1.00 0.00 H ATOM 1628 N TYR A 178 33.307 17.318 -2.269 1.00 21.96 N ATOM 1629 CA TYR A 178 32.360 16.219 -2.114 1.00 23.46 C ATOM 1630 C TYR A 178 30.928 16.709 -2.278 1.00 21.88 C ATOM 1631 O TYR A 178 30.150 16.142 -3.051 1.00 22.37 O ATOM 1632 CB TYR A 178 32.553 15.569 -0.743 1.00 16.29 C ATOM 1633 CG TYR A 178 31.957 14.185 -0.576 1.00 18.80 C ATOM 1634 CD1 TYR A 178 32.754 13.049 -0.662 1.00 16.24 C ATOM 1635 CD2 TYR A 178 30.607 14.015 -0.292 1.00 21.32 C ATOM 1636 CE1 TYR A 178 32.221 11.782 -0.492 1.00 17.73 C ATOM 1637 CE2 TYR A 178 30.066 12.749 -0.118 1.00 16.70 C ATOM 1638 CZ TYR A 178 30.879 11.637 -0.220 1.00 18.57 C ATOM 1639 OH TYR A 178 30.349 10.377 -0.051 1.00 25.22 O ATOM 1640 HH TYR A 178 31.065 9.702 -0.157 1.00 0.00 H ATOM 1641 H TYR A 178 33.923 17.577 -1.472 1.00 0.00 H ATOM 1642 N ALA A 179 30.567 17.775 -1.560 1.00 21.25 N ATOM 1643 CA ALA A 179 29.202 18.284 -1.625 1.00 22.02 C ATOM 1644 C ALA A 179 28.882 18.858 -3.001 1.00 17.54 C ATOM 1645 O ALA A 179 27.772 18.671 -3.514 1.00 20.78 O ATOM 1646 CB ALA A 179 28.986 19.335 -0.537 1.00 16.71 C ATOM 1647 H ALA A 179 31.265 18.246 -0.949 1.00 0.00 H ATOM 1648 N ASP A 180 29.837 19.563 -3.614 1.00 21.41 N ATOM 1649 CA ASP A 180 29.600 20.109 -4.948 1.00 21.67 C ATOM 1650 C ASP A 180 29.411 19.008 -5.980 1.00 25.97 C ATOM 1651 O ASP A 180 28.656 19.182 -6.944 1.00 22.07 O ATOM 1652 CB ASP A 180 30.754 21.019 -5.363 1.00 18.75 C ATOM 1653 CG ASP A 180 30.715 22.359 -4.663 1.00 26.69 C ATOM 1654 OD1 ASP A 180 29.681 22.668 -4.038 1.00 18.56 O ATOM 1655 OD2 ASP A 180 31.715 23.103 -4.744 1.00 23.71 O ATOM 1656 H ASP A 180 30.749 19.723 -3.141 1.00 0.00 H ATOM 1657 N THR A 181 30.095 17.877 -5.805 1.00 18.70 N ATOM 1658 CA THR A 181 29.902 16.754 -6.713 1.00 19.19 C ATOM 1659 C THR A 181 28.509 16.162 -6.559 1.00 19.23 C ATOM 1660 O THR A 181 27.842 15.868 -7.556 1.00 19.96 O ATOM 1661 CB THR A 181 30.973 15.689 -6.468 1.00 22.74 C ATOM 1662 OG1 THR A 181 32.268 16.246 -6.726 1.00 22.26 O ATOM 1663 CG2 THR A 181 30.751 14.493 -7.389 1.00 19.63 C ATOM 1664 HG1 THR A 181 32.422 17.015 -6.121 1.00 0.00 H ATOM 1665 H THR A 181 30.769 17.796 -5.017 1.00 0.00 H ATOM 1666 N VAL A 182 28.053 15.986 -5.315 1.00 18.55 N ATOM 1667 CA VAL A 182 26.696 15.499 -5.082 1.00 20.05 C ATOM 1668 C VAL A 182 25.686 16.414 -5.758 1.00 21.08 C ATOM 1669 O VAL A 182 24.753 15.950 -6.425 1.00 29.01 O ATOM 1670 CB VAL A 182 26.417 15.383 -3.572 1.00 23.52 C ATOM 1671 CG1 VAL A 182 25.012 14.839 -3.342 1.00 24.42 C ATOM 1672 CG2 VAL A 182 27.464 14.519 -2.889 1.00 19.21 C ATOM 1673 H VAL A 182 28.670 16.198 -4.505 1.00 0.00 H ATOM 1674 N LYS A 183 25.863 17.728 -5.602 1.00 20.49 N ATOM 1675 CA LYS A 183 24.966 18.686 -6.240 1.00 28.56 C ATOM 1676 C LYS A 183 24.995 18.534 -7.755 1.00 30.00 C ATOM 1677 O LYS A 183 23.945 18.484 -8.406 1.00 34.14 O ATOM 1678 CB LYS A 183 25.349 20.108 -5.829 1.00 19.82 C ATOM 1679 CG LYS A 183 24.373 21.181 -6.297 1.00 24.63 C ATOM 1680 CD LYS A 183 24.736 22.540 -5.714 1.00 32.15 C ATOM 1681 CE LYS A 183 23.783 23.627 -6.188 1.00 31.10 C ATOM 1682 NZ LYS A 183 23.934 23.900 -7.645 1.00 33.18 N ATOM 1683 HZ1 LYS A 183 24.907 24.211 -7.839 1.00 0.00 H ATOM 1684 HZ2 LYS A 183 23.733 23.032 -8.182 1.00 0.00 H ATOM 1685 HZ3 LYS A 183 23.267 24.646 -7.928 1.00 0.00 H ATOM 1686 H LYS A 183 26.651 18.074 -5.018 1.00 0.00 H ATOM 1687 N TYR A 184 26.197 18.454 -8.331 1.00 26.93 N ATOM 1688 CA TYR A 184 26.335 18.239 -9.770 1.00 24.39 C ATOM 1689 C TYR A 184 25.613 16.972 -10.211 1.00 28.87 C ATOM 1690 O TYR A 184 24.902 16.966 -11.224 1.00 23.38 O ATOM 1691 CB TYR A 184 27.818 18.170 -10.143 1.00 21.82 C ATOM 1692 CG TYR A 184 28.102 17.448 -11.447 1.00 27.99 C ATOM 1693 CD1 TYR A 184 27.975 18.099 -12.667 1.00 27.80 C ATOM 1694 CD2 TYR A 184 28.499 16.114 -11.455 1.00 26.30 C ATOM 1695 CE1 TYR A 184 28.235 17.444 -13.858 1.00 28.11 C ATOM 1696 CE2 TYR A 184 28.758 15.453 -12.638 1.00 34.56 C ATOM 1697 CZ TYR A 184 28.626 16.122 -13.837 1.00 33.94 C ATOM 1698 OH TYR A 184 28.886 15.463 -15.015 1.00 40.49 O ATOM 1699 HH TYR A 184 28.745 16.081 -15.776 1.00 0.00 H ATOM 1700 H TYR A 184 27.051 18.546 -7.745 1.00 0.00 H ATOM 1701 N LEU A 185 25.796 15.879 -9.467 1.00 25.38 N ATOM 1702 CA LEU A 185 25.157 14.620 -9.838 1.00 26.93 C ATOM 1703 C LEU A 185 23.641 14.702 -9.695 1.00 24.79 C ATOM 1704 O LEU A 185 22.907 14.143 -10.516 1.00 27.32 O ATOM 1705 CB LEU A 185 25.722 13.476 -8.994 1.00 21.50 C ATOM 1706 CG LEU A 185 27.200 13.133 -9.205 1.00 21.39 C ATOM 1707 CD1 LEU A 185 27.693 12.143 -8.152 1.00 20.61 C ATOM 1708 CD2 LEU A 185 27.433 12.593 -10.611 1.00 22.54 C ATOM 1709 H LEU A 185 26.397 15.925 -8.619 1.00 0.00 H ATOM 1710 N SER A 186 23.154 15.397 -8.663 1.00 21.97 N ATOM 1711 CA SER A 186 21.713 15.514 -8.461 1.00 26.64 C ATOM 1712 C SER A 186 21.044 16.287 -9.590 1.00 34.18 C ATOM 1713 O SER A 186 19.861 16.066 -9.876 1.00 30.85 O ATOM 1714 CB SER A 186 21.426 16.192 -7.124 1.00 23.23 C ATOM 1715 OG SER A 186 21.773 17.564 -7.178 1.00 36.59 O ATOM 1716 HG SER A 186 22.738 17.651 -7.383 1.00 0.00 H ATOM 1717 H SER A 186 23.807 15.858 -7.998 1.00 0.00 H ATOM 1718 N GLU A 187 21.772 17.200 -10.228 1.00 31.63 N ATOM 1719 CA GLU A 187 21.260 17.978 -11.348 1.00 29.68 C ATOM 1720 C GLU A 187 21.480 17.291 -12.688 1.00 37.83 C ATOM 1721 O GLU A 187 21.137 17.865 -13.727 1.00 37.12 O ATOM 1722 CB GLU A 187 21.910 19.368 -11.366 1.00 29.95 C ATOM 1723 CG GLU A 187 21.536 20.244 -10.176 1.00 30.08 C ATOM 1724 CD GLU A 187 22.566 21.321 -9.876 1.00 39.78 C ATOM 1725 OE1 GLU A 187 22.381 22.056 -8.884 1.00 43.30 O ATOM 1726 OE2 GLU A 187 23.555 21.441 -10.630 1.00 44.00 O ATOM 1727 H GLU A 187 22.749 17.365 -9.913 1.00 0.00 H ATOM 1728 N LYS A 188 22.042 16.088 -12.689 1.00 41.39 N ATOM 1729 CA LYS A 188 22.305 15.360 -13.921 1.00 47.27 C ATOM 1730 C LYS A 188 21.011 14.808 -14.508 1.00 52.23 C ATOM 1731 O LYS A 188 20.040 14.582 -13.786 1.00 50.86 O ATOM 1732 CB LYS A 188 23.299 14.228 -13.663 1.00 46.37 C ATOM 1733 CG LYS A 188 24.364 14.075 -14.729 1.00 52.42 C ATOM 1734 CD LYS A 188 25.629 13.465 -14.150 1.00 45.84 C ATOM 1735 CE LYS A 188 26.552 12.966 -15.251 1.00 54.45 C ATOM 1736 NZ LYS A 188 26.927 14.042 -16.211 1.00 56.36 N ATOM 1737 HZ1 LYS A 188 26.068 14.420 -16.659 1.00 0.00 H ATOM 1738 HZ2 LYS A 188 27.418 14.804 -15.701 1.00 0.00 H ATOM 1739 HZ3 LYS A 188 27.556 13.650 -16.941 1.00 0.00 H ATOM 1740 H LYS A 188 22.302 15.653 -11.781 1.00 0.00 H TER 1741 LYS A 188 HETATM 1742 O HOH 1 36.976 -0.318 13.185 1.00 36.98 O HETATM 1743 O HOH 2 31.067 -5.042 -5.246 1.00 46.02 O HETATM 1744 O HOH 3 17.701 -6.347 -5.183 1.00 32.80 O HETATM 1745 O HOH 4 24.269 3.841 -13.582 1.00 52.13 O HETATM 1746 O HOH 5 39.665 25.566 7.287 1.00 55.14 O HETATM 1747 O HOH 6 31.704 8.362 -0.283 1.00 23.49 O HETATM 1748 O HOH 7 30.999 6.699 -2.500 1.00 25.26 O HETATM 1749 O HOH 8 22.184 10.708 4.013 1.00 27.21 O HETATM 1750 O HOH 9 23.417 11.607 22.968 1.00 33.15 O HETATM 1751 O HOH 10 27.153 9.430 10.145 1.00 26.17 O HETATM 1752 O HOH 11 17.150 6.028 29.207 1.00 26.11 O HETATM 1753 O HOH 12 31.324 26.092 -1.542 1.00 25.23 O HETATM 1754 O HOH 13 33.031 -7.388 16.319 1.00 25.50 O HETATM 1755 O HOH 14 26.065 13.028 9.727 1.00 26.62 O HETATM 1756 O HOH 15 20.939 -3.880 21.674 1.00 22.42 O HETATM 1757 O HOH 16 38.056 -4.186 23.182 1.00 62.34 O HETATM 1758 O HOH 17 47.582 20.526 4.352 1.00 34.12 O HETATM 1759 O HOH 18 21.099 22.964 -4.469 1.00 42.07 O HETATM 1760 O HOH 19 28.862 8.050 -16.901 1.00 43.98 O HETATM 1761 O HOH 20 34.109 22.391 -5.512 1.00 22.07 O HETATM 1762 O HOH 21 23.119 -2.450 4.620 1.00 25.77 O HETATM 1763 O HOH 22 36.116 12.362 20.571 1.00 49.73 O HETATM 1764 O HOH 23 13.234 -7.073 15.402 1.00 31.29 O HETATM 1765 O HOH 24 24.950 13.233 14.276 1.00 44.91 O HETATM 1766 O HOH 25 39.336 2.266 26.284 1.00 27.51 O HETATM 1767 O HOH 26 28.973 13.988 -17.860 1.00 64.75 O HETATM 1768 O HOH 27 29.788 5.437 23.810 1.00 24.47 O HETATM 1769 O HOH 28 25.100 11.834 18.123 1.00 25.93 O HETATM 1770 O HOH 29 29.387 -3.022 9.950 1.00 21.40 O HETATM 1771 O HOH 30 43.489 13.129 -3.882 1.00 51.80 O HETATM 1772 O HOH 31 33.090 8.770 24.269 1.00 37.59 O HETATM 1773 O HOH 32 16.405 10.926 24.641 1.00 46.89 O HETATM 1774 O HOH 33 21.882 -9.875 19.161 1.00 32.70 O HETATM 1775 O HOH 34 27.842 22.736 2.335 1.00 30.71 O HETATM 1776 O HOH 35 30.833 -13.669 17.479 1.00 41.18 O HETATM 1777 O HOH 36 32.684 11.368 -17.681 1.00 56.06 O HETATM 1778 O HOH 37 27.970 0.087 28.446 1.00 24.42 O HETATM 1779 O HOH 38 18.709 19.732 1.266 1.00 37.67 O HETATM 1780 O HOH 39 31.748 25.711 -4.129 1.00 29.56 O HETATM 1781 O HOH 40 32.727 -8.400 21.062 1.00 48.94 O HETATM 1782 O HOH 41 24.610 -8.339 24.838 1.00 28.43 O HETATM 1783 O HOH 42 28.118 10.885 6.037 1.00 23.80 O HETATM 1784 O HOH 43 30.274 22.618 -9.867 1.00 21.80 O HETATM 1785 O HOH 44 15.287 -8.514 8.788 1.00 32.40 O HETATM 1786 O HOH 45 7.475 -4.641 19.822 1.00 50.42 O HETATM 1787 O HOH 46 26.205 -3.602 28.886 1.00 20.54 O HETATM 1788 O HOH 47 20.281 21.568 -7.257 1.00 32.43 O HETATM 1789 O HOH 48 30.306 2.533 -9.326 1.00 55.65 O HETATM 1790 O HOH 49 31.676 -11.550 15.442 1.00 28.27 O HETATM 1791 O HOH 50 22.985 -13.180 8.285 1.00 55.46 O HETATM 1792 O HOH 51 28.016 1.171 25.998 1.00 23.33 O HETATM 1793 O HOH 52 41.612 11.176 -2.052 1.00 54.55 O HETATM 1794 O HOH 53 39.360 4.711 14.130 1.00 43.61 O HETATM 1795 O HOH 54 16.202 -5.848 27.945 1.00 28.62 O HETATM 1796 O HOH 55 39.199 1.513 17.326 1.00 31.02 O HETATM 1797 O HOH 56 14.240 4.457 5.062 1.00 37.68 O HETATM 1798 O HOH 57 16.381 -7.545 2.490 1.00 35.35 O HETATM 1799 O HOH 58 15.553 16.502 6.824 1.00 46.88 O HETATM 1800 O HOH 59 35.525 -2.006 19.166 1.00 31.82 O HETATM 1801 O HOH 60 26.754 15.881 8.939 1.00 27.42 O HETATM 1802 O HOH 61 33.250 20.249 7.698 1.00 28.24 O HETATM 1803 O HOH 62 32.420 6.174 24.590 1.00 29.17 O HETATM 1804 O HOH 63 32.938 5.779 -6.869 1.00 39.09 O HETATM 1805 O HOH 64 27.942 21.444 -8.353 1.00 26.42 O HETATM 1806 O HOH 65 11.518 -10.507 17.181 1.00 49.00 O HETATM 1807 O HOH 66 21.015 -7.084 11.707 1.00 30.72 O HETATM 1808 O HOH 67 14.013 8.397 11.275 1.00 28.46 O HETATM 1809 O HOH 68 42.702 19.361 -0.226 1.00 41.21 O HETATM 1810 O HOH 69 9.436 -0.449 8.752 1.00 46.36 O HETATM 1811 O HOH 70 27.157 20.257 10.851 1.00 57.32 O HETATM 1812 O HOH 71 36.014 22.843 -3.575 1.00 29.36 O HETATM 1813 O HOH 72 14.650 2.982 31.060 1.00 35.86 O HETATM 1814 O HOH 73 11.566 -4.527 4.092 1.00 37.98 O HETATM 1815 O HOH 74 24.690 18.161 -13.758 1.00 29.57 O HETATM 1816 O HOH 75 19.573 19.312 -7.256 1.00 31.80 O HETATM 1817 O HOH 76 30.451 21.616 8.750 1.00 39.90 O HETATM 1818 O HOH 77 28.851 9.405 2.364 1.00 28.98 O HETATM 1819 O HOH 78 20.472 12.404 24.225 1.00 37.24 O HETATM 1820 O HOH 79 19.365 12.720 11.265 1.00 55.00 O HETATM 1821 O HOH 80 8.861 -7.624 9.347 1.00 33.72 O HETATM 1822 O HOH 81 29.830 2.862 24.984 1.00 31.43 O HETATM 1823 O HOH 82 40.353 16.234 -7.398 1.00 63.42 O HETATM 1824 O HOH 83 7.328 -2.340 8.005 1.00 43.58 O HETATM 1825 O HOH 84 13.969 -10.264 18.367 1.00 43.80 O HETATM 1826 O HOH 85 44.532 11.885 -1.396 1.00 57.65 O HETATM 1827 O HOH 86 18.315 7.035 7.158 1.00 25.23 O HETATM 1828 O HOH 87 12.447 7.779 21.924 1.00 47.93 O HETATM 1829 O HOH 88 9.297 1.179 21.059 1.00 38.27 O HETATM 1830 O HOH 89 24.260 -2.245 -9.449 1.00 60.98 O HETATM 1831 O HOH 90 37.310 3.724 6.588 1.00 34.48 O HETATM 1832 O HOH 91 24.708 7.781 24.919 1.00 21.97 O HETATM 1833 O HOH 92 44.931 24.386 2.338 1.00 28.16 O HETATM 1834 O HOH 93 17.811 15.050 -8.157 1.00 48.15 O HETATM 1835 O HOH 94 33.828 20.138 -7.155 1.00 26.05 O HETATM 1836 O HOH 95 22.660 26.422 -8.112 1.00 33.93 O HETATM 1837 O HOH 96 29.459 -6.468 27.418 1.00 49.72 O HETATM 1838 O HOH 97 27.556 15.540 11.803 1.00 31.57 O HETATM 1839 O HOH 98 29.416 8.177 8.938 1.00 17.39 O HETATM 1840 O HOH 99 33.686 21.998 5.771 1.00 28.83 O HETATM 1841 O HOH 100 21.698 -2.926 28.495 1.00 35.16 O HETATM 1842 O HOH 101 21.547 24.755 -1.513 1.00 45.59 O HETATM 1843 O HOH 102 21.295 -4.972 -8.845 1.00 41.17 O HETATM 1844 O HOH 103 28.415 7.414 4.057 1.00 19.61 O HETATM 1845 O HOH 104 25.588 -11.054 18.154 1.00 42.97 O HETATM 1846 O HOH 105 15.766 -0.859 0.429 1.00 29.01 O HETATM 1847 O HOH 106 39.540 23.159 -12.447 1.00 38.17 O HETATM 1848 O HOH 107 27.184 10.440 29.185 1.00 36.26 O HETATM 1849 O HOH 108 37.096 3.867 3.637 1.00 44.17 O HETATM 1850 O HOH 109 13.100 19.146 -2.949 1.00 55.18 O HETATM 1851 O HOH 110 32.762 -9.111 9.509 1.00 21.92 O HETATM 1852 O HOH 111 24.608 20.741 -13.285 1.00 34.81 O HETATM 1853 O HOH 112 35.657 -0.917 29.552 1.00 50.40 O HETATM 1854 O HOH 113 24.521 -4.838 4.996 1.00 24.55 O HETATM 1855 O HOH 114 9.022 -0.441 16.350 1.00 24.43 O HETATM 1856 O HOH 115 18.636 8.694 9.276 1.00 32.53 O HETATM 1857 O HOH 116 30.889 -0.959 28.525 1.00 47.33 O HETATM 1858 O HOH 117 10.001 3.299 10.586 1.00 47.78 O HETATM 1859 O HOH 118 28.150 12.761 7.899 1.00 21.08 O HETATM 1860 O HOH 119 29.558 -2.407 -7.443 1.00 60.19 O HETATM 1861 O HOH 120 30.488 22.611 0.801 1.00 25.58 O HETATM 1862 O HOH 121 16.013 -9.791 16.688 1.00 41.28 O HETATM 1863 O HOH 122 18.245 -10.475 15.916 1.00 47.37 O HETATM 1864 O HOH 123 23.532 11.634 27.604 1.00 42.39 O HETATM 1865 O HOH 124 35.042 -0.158 3.960 1.00 39.85 O HETATM 1866 O HOH 125 35.556 -7.057 10.599 1.00 45.01 O HETATM 1867 O HOH 126 21.022 11.586 -14.293 1.00 48.53 O HETATM 1868 O HOH 127 36.581 24.613 9.246 1.00 43.71 O HETATM 1869 O HOH 128 15.884 13.665 4.476 1.00 45.28 O HETATM 1870 O HOH 129 29.528 -2.724 29.959 1.00 57.18 O HETATM 1871 O HOH 130 17.347 12.055 15.069 1.00 32.91 O HETATM 1872 O HOH 131 25.586 -5.341 30.728 1.00 50.82 O HETATM 1873 O HOH 132 31.589 -9.182 16.967 1.00 26.30 O HETATM 1874 O HOH 133 7.618 -8.937 18.747 1.00 55.74 O HETATM 1875 O HOH 134 16.971 12.649 17.585 1.00 35.60 O HETATM 1876 O HOH 135 29.482 -0.367 -5.539 1.00 37.66 O HETATM 1877 O HOH 136 17.158 -5.559 23.570 1.00 32.76 O HETATM 1878 O HOH 137 17.080 -9.102 4.800 1.00 44.77 O HETATM 1879 O HOH 138 12.909 8.041 -5.942 1.00 58.29 O HETATM 1880 O HOH 139 23.438 10.262 11.547 1.00 47.97 O HETATM 1881 O HOH 140 8.422 10.257 30.347 1.00 49.16 O HETATM 1882 O HOH 141 10.611 -6.506 24.348 1.00 44.58 O HETATM 1883 O HOH 142 35.993 1.547 6.323 1.00 36.69 O HETATM 1884 O HOH 143 14.734 12.752 18.994 1.00 56.29 O HETATM 1885 O HOH 144 7.023 -4.757 6.506 1.00 42.36 O HETATM 1886 O HOH 145 9.897 -4.398 26.253 1.00 45.77 O HETATM 1887 O HOH 146 28.166 -12.249 19.882 1.00 45.87 O HETATM 1888 O HOH 147 22.447 11.730 8.472 1.00 36.55 O HETATM 1889 O HOH 148 25.296 -8.343 -3.700 1.00 43.71 O HETATM 1890 O HOH 149 26.034 8.813 -16.897 1.00 54.66 O HETATM 1891 O HOH 150 8.460 -0.423 18.757 1.00 42.29 O HETATM 1892 O HOH 151 29.535 -9.778 20.175 1.00 36.61 O HETATM 1893 O HOH 152 15.657 -7.994 23.995 1.00 43.53 O HETATM 1894 O HOH 153 24.083 -8.373 29.592 1.00 52.87 O HETATM 1895 O HOH 154 22.497 15.559 7.744 1.00 31.89 O HETATM 1896 O HOH 155 17.093 -9.175 7.223 1.00 52.16 O HETATM 1897 O HOH 156 8.431 4.899 31.972 1.00 37.45 O HETATM 1898 O HOH 157 24.411 10.382 25.055 1.00 26.27 O HETATM 1899 O HOH 158 25.308 7.831 11.397 1.00 31.44 O HETATM 1900 O HOH 159 31.129 14.858 16.867 1.00 42.23 O HETATM 1901 O HOH 160 41.290 5.531 7.800 1.00 41.72 O HETATM 1902 O HOH 161 37.376 -0.146 15.950 1.00 39.04 O HETATM 1903 O HOH 162 38.733 20.462 -17.596 1.00 47.69 O HETATM 1904 O HOH 163 13.328 -4.761 1.895 1.00 32.48 O HETATM 1905 O HOH 164 36.155 -4.452 11.573 1.00 49.27 O HETATM 1906 O HOH 165 21.690 -8.509 25.042 1.00 29.66 O HETATM 1907 O HOH 166 20.634 -6.110 25.852 1.00 35.69 O HETATM 1908 O HOH 167 32.232 5.680 27.356 1.00 45.72 O HETATM 1909 O HOH 168 27.738 6.662 25.416 1.00 48.15 O HETATM 1910 O HOH 169 16.260 -8.272 12.205 1.00 42.61 O HETATM 1911 O HOH 170 19.359 -5.786 22.763 1.00 30.21 O HETATM 1912 O HOH 171 21.123 11.702 6.045 1.00 25.56 O HETATM 1913 O HOH 172 20.205 -8.472 22.313 1.00 45.26 O HETATM 1914 O HOH 173 23.536 -10.625 21.155 1.00 48.60 O HETATM 1915 O HOH 174 14.206 -7.174 0.934 1.00 56.45 O HETATM 1916 O HOH 175 20.270 15.764 19.481 1.00 44.61 O HETATM 1917 O HOH 176 22.622 27.307 -5.648 1.00 51.16 O HETATM 1918 O HOH 177 25.803 13.203 20.811 1.00 48.64 O HETATM 1919 O HOH 178 28.994 8.359 6.424 1.00 32.12 O HETATM 1920 O HOH 179 13.675 -8.452 26.133 1.00 60.09 O HETATM 1921 O HOH 180 20.827 14.385 6.014 1.00 36.35 O HETATM 1922 O HOH 181 17.920 15.106 18.304 1.00 49.70 O HETATM 1923 O HOH 182 5.561 6.648 29.399 1.00 44.82 O HETATM 1924 O HOH 183 12.132 10.224 11.974 1.00 47.66 O HETATM 1925 O HOH 184 17.037 14.798 -5.350 1.00 47.69 O HETATM 1926 O HOH 185 30.765 15.266 19.327 1.00 43.28 O HETATM 1927 O HOH 186 23.943 14.386 22.144 1.00 47.39 O HETATM 1928 O HOH 187 20.765 9.850 10.115 1.00 26.34 O HETATM 1929 O HOH 188 34.822 -6.942 20.579 1.00 48.11 O HETATM 1930 O HOH 189 31.498 9.954 -19.804 1.00 58.56 O HETATM 1931 C02 OR A 4 38.982 5.115 0.468 1.00 0.04 C HETATM 1932 C04 OR A 4 37.554 5.825 0.353 1.00 0.02 C HETATM 1933 C05 OR A 4 37.313 7.012 1.233 1.00 -0.02 C HETATM 1934 C06 OR A 4 36.181 7.304 1.893 1.00 0.07 C HETATM 1935 O07 OR A 4 36.228 8.471 2.655 1.00 -0.27 O HETATM 1936 C08 OR A 4 37.504 8.971 2.470 1.00 0.11 C HETATM 1937 C09 OR A 4 38.018 10.146 3.047 1.00 -0.00 C HETATM 1938 C10 OR A 4 39.337 10.513 2.755 1.00 0.08 C HETATM 1939 C19 OR A 4 40.060 9.667 1.894 1.00 -0.04 C HETATM 1940 C20 OR A 4 39.523 8.518 1.344 1.00 -0.08 C HETATM 1941 C21 OR A 4 38.224 8.102 1.595 1.00 -0.01 C HETATM 1942 H13 OR A 4 40.143 7.917 0.689 1.00 0.05 H HETATM 1943 H12 OR A 4 41.084 9.928 1.651 1.00 0.05 H HETATM 1944 O11 OR A 4 39.906 11.648 3.279 1.00 -0.31 O HETATM 1945 C12 OR A 4 39.257 12.473 4.240 1.00 0.10 C HETATM 1946 C13 OR A 4 40.206 13.576 4.684 1.00 -0.01 C HETATM 1947 C14 OR A 4 41.090 13.432 5.752 1.00 -0.06 C HETATM 1948 C15 OR A 4 41.974 14.423 6.144 1.00 -0.07 C HETATM 1949 C16 OR A 4 42.045 15.623 5.467 1.00 -0.07 C HETATM 1950 C17 OR A 4 41.190 15.816 4.391 1.00 -0.07 C HETATM 1951 C18 OR A 4 40.305 14.811 4.010 1.00 -0.06 C HETATM 1952 H11 OR A 4 39.662 14.986 3.155 1.00 0.06 H HETATM 1953 H10 OR A 4 41.211 16.752 3.845 1.00 0.06 H HETATM 1954 H9 OR A 4 42.748 16.392 5.767 1.00 0.06 H HETATM 1955 H8 OR A 4 42.621 14.253 6.997 1.00 0.06 H HETATM 1956 H7 OR A 4 41.085 12.498 6.303 1.00 0.06 H HETATM 1957 H5 OR A 4 38.358 12.921 3.791 1.00 0.08 H HETATM 1958 H6 OR A 4 38.968 11.865 5.110 1.00 0.08 H HETATM 1959 H4 OR A 4 37.406 10.754 3.704 1.00 0.05 H HETATM 1960 H3 OR A 4 35.293 6.677 1.837 1.00 0.09 H HETATM 1961 H1 OR A 4 36.789 5.072 0.594 1.00 0.05 H HETATM 1962 H2 OR A 4 37.430 6.154 -0.689 1.00 0.05 H HETATM 1963 O01 OR A 4 39.964 5.755 0.037 1.00 -0.57 O HETATM 1964 O03 OR A 4 39.017 3.984 0.987 1.00 -0.57 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 264 263 289 CONECT 289 264 288 CONECT 1931 1932 1963 1964 CONECT 1932 1931 1933 1961 1962 CONECT 1933 1932 1934 1941 CONECT 1934 1933 1935 1960 CONECT 1935 1934 1936 CONECT 1936 1935 1937 1941 CONECT 1937 1936 1938 1959 CONECT 1938 1937 1939 1944 CONECT 1939 1938 1940 1943 CONECT 1940 1939 1941 1942 CONECT 1941 1933 1936 1940 CONECT 1942 1940 CONECT 1943 1939 CONECT 1944 1938 1945 CONECT 1945 1944 1946 1957 1958 CONECT 1946 1945 1947 1951 CONECT 1947 1946 1948 1956 CONECT 1948 1947 1949 1955 CONECT 1949 1948 1950 1954 CONECT 1950 1949 1951 1953 CONECT 1951 1946 1950 1952 CONECT 1952 1951 CONECT 1953 1950 CONECT 1954 1949 CONECT 1955 1948 CONECT 1956 1947 CONECT 1957 1945 CONECT 1958 1945 CONECT 1959 1937 CONECT 1960 1934 CONECT 1961 1932 CONECT 1962 1932 CONECT 1963 1931 CONECT 1964 1931 MASTER 0 0 0 0 0 0 0 0 1963 1 40 15 END
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Related entries of code: 6pml
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Protein Sequence Similarity
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4wf4
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6pvz
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189aa, >6PVZ_1|Chains... at 99%
6pvy
RCSB PDB
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PDBbind
189aa, >6POQ_1|Chains... at 99%
6poi
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PDBbind
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RCSB PDB
PDBbind
189aa, >6POH_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
6pml
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Thiol:disulfide interchange protein DsbA
Ligand Name
OR4
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=820uM
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
4
O
4
Molecular Weight
282.291
Exact Mass
282.089
No. of atoms
35
No. of bonds
37
Polar Surface Area
59.67
LOGP Value
4.70 (
Computed with XLOGP3
)
3.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
OC(=O)Cc1coc2c1ccc(c2)OCc1ccccc1
InChI String
InChI=1S/C17H14O4/c18-17(19)8-13-11-21-16-9-14(6-7-15(13)16)20-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
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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