Browse entries in the PDBbind-CN Database
HEADER 6D1D_COMPLEX COMPND 6D1D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET GTV A 564 29 ATOM 1 N GLY A 42 9.011 2.326 29.762 1.00 38.11 N ATOM 2 CA GLY A 42 9.254 1.288 28.775 1.00 37.14 C ATOM 3 C GLY A 42 10.433 1.591 27.866 1.00 35.43 C ATOM 4 O GLY A 42 11.222 0.704 27.534 1.00 37.59 O ATOM 5 HN3 GLY A 42 8.812 3.224 29.277 1.00 0.00 H ATOM 6 HN2 GLY A 42 9.852 2.435 30.363 1.00 0.00 H ATOM 7 HN1 GLY A 42 8.195 2.060 30.350 1.00 0.00 H ATOM 8 N ASP A 43 10.549 2.853 27.463 1.00 31.46 N ATOM 9 CA ASP A 43 11.667 3.275 26.632 1.00 28.28 C ATOM 10 C ASP A 43 12.960 3.256 27.437 1.00 25.05 C ATOM 11 O ASP A 43 12.986 3.601 28.621 1.00 26.75 O ATOM 12 CB ASP A 43 11.421 4.686 26.103 1.00 28.63 C ATOM 13 CG ASP A 43 10.413 4.721 24.968 1.00 30.17 C ATOM 14 OD1 ASP A 43 10.133 3.659 24.382 1.00 30.53 O ATOM 15 OD2 ASP A 43 9.895 5.815 24.665 1.00 31.41 O ATOM 16 H ASP A 43 9.830 3.549 27.746 1.00 0.00 H ATOM 17 N GLN A 44 14.038 2.843 26.789 1.00 21.32 N ATOM 18 CA GLN A 44 15.365 2.834 27.390 1.00 20.11 C ATOM 19 C GLN A 44 16.229 3.820 26.614 1.00 16.57 C ATOM 20 O GLN A 44 16.502 3.605 25.431 1.00 16.10 O ATOM 21 CB GLN A 44 15.959 1.429 27.334 1.00 23.25 C ATOM 22 CG GLN A 44 17.305 1.289 28.017 1.00 27.79 C ATOM 23 CD GLN A 44 17.784 -0.153 28.057 1.00 29.28 C ATOM 24 OE1 GLN A 44 17.308 -0.997 27.303 1.00 28.25 O ATOM 25 NE2 GLN A 44 18.737 -0.435 28.935 1.00 31.50 N ATOM 26 HE22 GLN A 44 19.111 0.312 29.554 1.00 0.00 H ATOM 27 HE21 GLN A 44 19.110 -1.403 29.004 1.00 0.00 H ATOM 28 H GLN A 44 13.933 2.511 25.809 1.00 0.00 H ATOM 29 N ARG A 45 16.632 4.909 27.267 1.00 15.92 N ATOM 30 CA ARG A 45 17.574 5.840 26.663 1.00 16.20 C ATOM 31 C ARG A 45 18.978 5.277 26.817 1.00 16.74 C ATOM 32 O ARG A 45 19.392 4.912 27.919 1.00 19.18 O ATOM 33 CB ARG A 45 17.475 7.212 27.332 1.00 16.45 C ATOM 34 CG ARG A 45 16.073 7.833 27.257 1.00 17.55 C ATOM 35 CD ARG A 45 16.078 9.307 27.653 1.00 18.18 C ATOM 36 NE ARG A 45 16.452 9.502 29.050 1.00 16.70 N ATOM 37 CZ ARG A 45 15.591 9.543 30.060 1.00 16.96 C ATOM 38 NH1 ARG A 45 16.037 9.728 31.292 1.00 15.04 N ATOM 39 NH2 ARG A 45 14.289 9.410 29.839 1.00 17.00 N ATOM 40 HE ARG A 45 17.462 9.617 29.270 1.00 0.00 H ATOM 41 HH12 ARG A 45 15.368 9.761 32.088 1.00 0.00 H ATOM 42 HH11 ARG A 45 17.056 9.840 31.465 1.00 0.00 H ATOM 43 HH22 ARG A 45 13.620 9.443 30.635 1.00 0.00 H ATOM 44 HH21 ARG A 45 13.937 9.273 28.870 1.00 0.00 H ATOM 45 H ARG A 45 16.268 5.097 28.223 1.00 0.00 H ATOM 46 N PHE A 46 19.701 5.193 25.709 1.00 14.07 N ATOM 47 CA PHE A 46 21.030 4.587 25.684 1.00 14.60 C ATOM 48 C PHE A 46 21.852 5.500 24.786 1.00 15.25 C ATOM 49 O PHE A 46 21.707 5.459 23.562 1.00 14.64 O ATOM 50 CB PHE A 46 20.949 3.172 25.123 1.00 15.36 C ATOM 51 CG PHE A 46 22.261 2.431 25.123 1.00 16.73 C ATOM 52 CD1 PHE A 46 23.099 2.474 24.016 1.00 17.01 C ATOM 53 CD2 PHE A 46 22.641 1.665 26.211 1.00 18.08 C ATOM 54 CE1 PHE A 46 24.304 1.779 24.000 1.00 16.53 C ATOM 55 CE2 PHE A 46 23.854 0.966 26.204 1.00 18.39 C ATOM 56 CZ PHE A 46 24.681 1.028 25.094 1.00 17.74 C ATOM 57 H PHE A 46 19.307 5.573 24.824 1.00 0.00 H ATOM 58 N GLY A 47 22.689 6.332 25.397 1.00 18.30 N ATOM 59 CA GLY A 47 23.324 7.390 24.632 1.00 19.13 C ATOM 60 C GLY A 47 22.264 8.277 24.012 1.00 18.15 C ATOM 61 O GLY A 47 21.294 8.679 24.667 1.00 19.21 O ATOM 62 H GLY A 47 22.887 6.226 26.412 1.00 0.00 H ATOM 63 N ASP A 48 22.436 8.569 22.724 1.00 14.84 N ATOM 64 CA ASP A 48 21.511 9.398 21.967 1.00 12.69 C ATOM 65 C ASP A 48 20.410 8.587 21.291 1.00 11.79 C ATOM 66 O ASP A 48 19.684 9.131 20.451 1.00 12.25 O ATOM 67 CB ASP A 48 22.276 10.208 20.915 1.00 15.08 C ATOM 68 CG ASP A 48 21.627 11.544 20.624 1.00 16.50 C ATOM 69 OD1 ASP A 48 21.168 12.210 21.584 1.00 17.62 O ATOM 70 OD2 ASP A 48 21.588 11.931 19.434 1.00 16.95 O ATOM 71 H ASP A 48 23.271 8.186 22.236 1.00 0.00 H ATOM 72 N LEU A 49 20.279 7.305 21.621 1.00 11.86 N ATOM 73 CA LEU A 49 19.313 6.411 21.000 1.00 11.59 C ATOM 74 C LEU A 49 18.273 5.965 22.023 1.00 10.69 C ATOM 75 O LEU A 49 18.441 6.137 23.233 1.00 11.46 O ATOM 76 CB LEU A 49 20.022 5.203 20.362 1.00 13.30 C ATOM 77 CG LEU A 49 20.735 5.460 19.022 1.00 14.88 C ATOM 78 CD1 LEU A 49 22.101 6.082 19.230 1.00 16.03 C ATOM 79 CD2 LEU A 49 20.868 4.168 18.236 1.00 15.84 C ATOM 80 H LEU A 49 20.900 6.921 22.362 1.00 0.00 H ATOM 81 N VAL A 50 17.181 5.389 21.525 1.00 10.48 N ATOM 82 CA VAL A 50 16.110 4.873 22.372 1.00 10.92 C ATOM 83 C VAL A 50 15.786 3.454 21.931 1.00 10.95 C ATOM 84 O VAL A 50 15.698 3.175 20.731 1.00 11.53 O ATOM 85 CB VAL A 50 14.853 5.769 22.320 1.00 13.57 C ATOM 86 CG1 VAL A 50 13.692 5.104 23.048 1.00 14.79 C ATOM 87 CG2 VAL A 50 15.151 7.138 22.908 1.00 14.21 C ATOM 88 H VAL A 50 17.087 5.303 20.493 1.00 0.00 H ATOM 89 N PHE A 51 15.620 2.558 22.900 1.00 11.07 N ATOM 90 CA PHE A 51 15.276 1.166 22.640 1.00 12.52 C ATOM 91 C PHE A 51 14.013 0.812 23.409 1.00 13.19 C ATOM 92 O PHE A 51 13.832 1.240 24.553 1.00 14.73 O ATOM 93 CB PHE A 51 16.417 0.230 23.054 1.00 12.17 C ATOM 94 CG PHE A 51 17.689 0.493 22.313 1.00 11.07 C ATOM 95 CD1 PHE A 51 18.571 1.481 22.740 1.00 11.68 C ATOM 96 CD2 PHE A 51 17.997 -0.225 21.168 1.00 10.76 C ATOM 97 CE1 PHE A 51 19.740 1.742 22.031 1.00 12.99 C ATOM 98 CE2 PHE A 51 19.162 0.034 20.457 1.00 11.02 C ATOM 99 CZ PHE A 51 20.033 1.017 20.892 1.00 11.90 C ATOM 100 H PHE A 51 15.741 2.864 23.886 1.00 0.00 H ATOM 101 N ARG A 52 13.131 0.040 22.776 1.00 14.32 N ATOM 102 CA ARG A 52 11.845 -0.309 23.378 1.00 15.33 C ATOM 103 C ARG A 52 11.527 -1.760 23.056 1.00 14.29 C ATOM 104 O ARG A 52 11.495 -2.145 21.880 1.00 13.63 O ATOM 105 CB ARG A 52 10.731 0.608 22.859 1.00 17.70 C ATOM 106 CG ARG A 52 9.350 0.294 23.433 1.00 19.76 C ATOM 107 CD ARG A 52 8.235 1.007 22.665 1.00 21.95 C ATOM 108 NE ARG A 52 8.158 2.430 22.986 1.00 25.27 N ATOM 109 CZ ARG A 52 7.115 3.211 22.711 1.00 27.81 C ATOM 110 NH1 ARG A 52 6.046 2.708 22.101 1.00 27.79 N ATOM 111 NH2 ARG A 52 7.139 4.499 23.048 1.00 29.31 N ATOM 112 HE ARG A 52 8.975 2.863 23.462 1.00 0.00 H ATOM 113 HH12 ARG A 52 5.233 3.320 21.888 1.00 0.00 H ATOM 114 HH11 ARG A 52 6.023 1.702 21.837 1.00 0.00 H ATOM 115 HH22 ARG A 52 6.324 5.108 22.833 1.00 0.00 H ATOM 116 HH21 ARG A 52 7.973 4.896 23.526 1.00 0.00 H ATOM 117 H ARG A 52 13.363 -0.324 21.830 1.00 0.00 H ATOM 118 N GLN A 53 11.296 -2.562 24.092 1.00 15.56 N ATOM 119 CA GLN A 53 10.923 -3.950 23.874 1.00 14.60 C ATOM 120 C GLN A 53 9.484 -4.025 23.385 1.00 14.25 C ATOM 121 O GLN A 53 8.584 -3.406 23.964 1.00 15.95 O ATOM 122 CB GLN A 53 11.090 -4.768 25.155 1.00 16.36 C ATOM 123 CG GLN A 53 11.024 -6.272 24.917 1.00 18.96 C ATOM 124 CD GLN A 53 11.604 -7.079 26.060 1.00 21.88 C ATOM 125 OE1 GLN A 53 11.757 -6.575 27.169 1.00 24.26 O ATOM 126 NE2 GLN A 53 11.924 -8.341 25.795 1.00 22.30 N ATOM 127 HE22 GLN A 53 11.777 -8.725 24.840 1.00 0.00 H ATOM 128 HE21 GLN A 53 12.322 -8.945 26.543 1.00 0.00 H ATOM 129 H GLN A 53 11.383 -2.195 25.061 1.00 0.00 H ATOM 130 N LEU A 54 9.275 -4.782 22.306 1.00 12.94 N ATOM 131 CA LEU A 54 7.955 -4.975 21.723 1.00 13.13 C ATOM 132 C LEU A 54 7.400 -6.371 21.943 1.00 14.22 C ATOM 133 O LEU A 54 6.180 -6.551 21.897 1.00 16.22 O ATOM 134 CB LEU A 54 7.997 -4.702 20.213 1.00 13.11 C ATOM 135 CG LEU A 54 8.542 -3.336 19.783 1.00 12.70 C ATOM 136 CD1 LEU A 54 8.453 -3.164 18.278 1.00 12.25 C ATOM 137 CD2 LEU A 54 7.805 -2.205 20.484 1.00 14.82 C ATOM 138 H LEU A 54 10.089 -5.254 21.863 1.00 0.00 H ATOM 139 N ALA A 55 8.266 -7.349 22.170 1.00 14.36 N ATOM 140 CA ALA A 55 7.886 -8.737 22.389 1.00 14.12 C ATOM 141 C ALA A 55 9.053 -9.411 23.089 1.00 15.12 C ATOM 142 O ALA A 55 10.136 -8.819 23.198 1.00 15.38 O ATOM 143 CB ALA A 55 7.559 -9.436 21.058 1.00 14.83 C ATOM 144 H ALA A 55 9.278 -7.110 22.193 1.00 0.00 H ATOM 145 N PRO A 56 8.872 -10.641 23.588 1.00 15.99 N ATOM 146 CA PRO A 56 9.966 -11.284 24.334 1.00 17.15 C ATOM 147 C PRO A 56 11.296 -11.315 23.603 1.00 16.83 C ATOM 148 O PRO A 56 12.348 -11.236 24.256 1.00 19.29 O ATOM 149 CB PRO A 56 9.416 -12.691 24.599 1.00 17.52 C ATOM 150 CG PRO A 56 7.948 -12.453 24.768 1.00 18.47 C ATOM 151 CD PRO A 56 7.613 -11.397 23.735 1.00 17.03 C ATOM 152 N ASN A 57 11.285 -11.396 22.266 1.00 14.68 N ATOM 153 CA ASN A 57 12.508 -11.491 21.476 1.00 13.09 C ATOM 154 C ASN A 57 12.662 -10.339 20.483 1.00 10.67 C ATOM 155 O ASN A 57 13.449 -10.457 19.536 1.00 10.61 O ATOM 156 CB ASN A 57 12.556 -12.824 20.719 1.00 14.10 C ATOM 157 CG ASN A 57 12.817 -14.026 21.621 1.00 18.42 C ATOM 158 OD1 ASN A 57 12.471 -14.030 22.799 1.00 20.23 O ATOM 159 ND2 ASN A 57 13.430 -15.065 21.050 1.00 20.30 N ATOM 160 HD22 ASN A 57 13.706 -15.020 20.048 1.00 0.00 H ATOM 161 HD21 ASN A 57 13.631 -15.920 21.607 1.00 0.00 H ATOM 162 H ASN A 57 10.370 -11.391 21.772 1.00 0.00 H ATOM 163 N VAL A 58 11.938 -9.225 20.657 1.00 9.86 N ATOM 164 CA VAL A 58 11.921 -8.155 19.654 1.00 9.88 C ATOM 165 C VAL A 58 12.022 -6.801 20.337 1.00 10.02 C ATOM 166 O VAL A 58 11.266 -6.516 21.272 1.00 10.99 O ATOM 167 CB VAL A 58 10.652 -8.195 18.779 1.00 10.17 C ATOM 168 CG1 VAL A 58 10.712 -7.118 17.708 1.00 10.50 C ATOM 169 CG2 VAL A 58 10.465 -9.568 18.157 1.00 10.74 C ATOM 170 H VAL A 58 11.374 -9.116 21.524 1.00 0.00 H ATOM 171 N TRP A 59 12.927 -5.948 19.841 1.00 9.56 N ATOM 172 CA TRP A 59 13.065 -4.579 20.318 1.00 9.31 C ATOM 173 C TRP A 59 13.089 -3.624 19.130 1.00 9.17 C ATOM 174 O TRP A 59 13.551 -3.968 18.038 1.00 10.22 O ATOM 175 CB TRP A 59 14.360 -4.372 21.122 1.00 10.21 C ATOM 176 CG TRP A 59 14.501 -5.231 22.344 1.00 11.17 C ATOM 177 CD1 TRP A 59 14.346 -4.835 23.647 1.00 12.98 C ATOM 178 CD2 TRP A 59 14.864 -6.619 22.390 1.00 12.78 C ATOM 179 NE1 TRP A 59 14.569 -5.892 24.496 1.00 13.81 N ATOM 180 CE2 TRP A 59 14.893 -6.997 23.751 1.00 13.57 C ATOM 181 CE3 TRP A 59 15.168 -7.578 21.415 1.00 13.61 C ATOM 182 CZ2 TRP A 59 15.210 -8.288 24.159 1.00 13.97 C ATOM 183 CZ3 TRP A 59 15.477 -8.862 21.824 1.00 13.79 C ATOM 184 CH2 TRP A 59 15.497 -9.204 23.182 1.00 14.21 C ATOM 185 HE1 TRP A 59 14.503 -5.859 25.533 1.00 0.00 H ATOM 186 H TRP A 59 13.558 -6.277 19.083 1.00 0.00 H ATOM 187 N GLN A 60 12.595 -2.410 19.352 1.00 9.46 N ATOM 188 CA GLN A 60 12.683 -1.345 18.363 1.00 9.12 C ATOM 189 C GLN A 60 13.855 -0.439 18.719 1.00 9.11 C ATOM 190 O GLN A 60 13.986 -0.027 19.879 1.00 10.53 O ATOM 191 CB GLN A 60 11.388 -0.536 18.366 1.00 9.99 C ATOM 192 CG GLN A 60 11.345 0.621 17.376 1.00 9.85 C ATOM 193 CD GLN A 60 10.040 1.389 17.496 1.00 9.87 C ATOM 194 OE1 GLN A 60 9.114 1.211 16.703 1.00 11.45 O ATOM 195 NE2 GLN A 60 9.960 2.240 18.504 1.00 11.25 N ATOM 196 HE22 GLN A 60 10.767 2.359 19.150 1.00 0.00 H ATOM 197 HE21 GLN A 60 9.090 2.791 18.652 1.00 0.00 H ATOM 198 H GLN A 60 12.131 -2.215 20.262 1.00 0.00 H ATOM 199 N HIS A 61 14.701 -0.131 17.730 1.00 7.95 N ATOM 200 CA HIS A 61 15.750 0.870 17.895 1.00 7.86 C ATOM 201 C HIS A 61 15.330 2.189 17.259 1.00 8.13 C ATOM 202 O HIS A 61 14.675 2.197 16.215 1.00 8.87 O ATOM 203 CB HIS A 61 17.133 0.399 17.399 1.00 7.20 C ATOM 204 CG HIS A 61 17.258 0.148 15.918 1.00 7.06 C ATOM 205 ND1 HIS A 61 17.395 1.162 14.991 1.00 8.37 N ATOM 206 CD2 HIS A 61 17.369 -1.011 15.220 1.00 7.33 C ATOM 207 CE1 HIS A 61 17.552 0.640 13.785 1.00 7.64 C ATOM 208 NE2 HIS A 61 17.536 -0.678 13.895 1.00 8.76 N ATOM 209 H HIS A 61 14.609 -0.619 16.816 1.00 0.00 H ATOM 210 N THR A 62 15.686 3.303 17.909 1.00 8.26 N ATOM 211 CA THR A 62 15.324 4.637 17.430 1.00 8.07 C ATOM 212 C THR A 62 16.536 5.547 17.492 1.00 8.42 C ATOM 213 O THR A 62 17.201 5.625 18.532 1.00 9.41 O ATOM 214 CB THR A 62 14.180 5.247 18.257 1.00 9.43 C ATOM 215 OG1 THR A 62 13.055 4.360 18.237 1.00 10.17 O ATOM 216 CG2 THR A 62 13.756 6.606 17.696 1.00 9.05 C ATOM 217 HG1 THR A 62 12.756 4.230 17.302 1.00 0.00 H ATOM 218 H THR A 62 16.239 3.218 18.785 1.00 0.00 H ATOM 219 N SER A 63 16.816 6.226 16.375 1.00 8.51 N ATOM 220 CA SER A 63 17.912 7.184 16.268 1.00 8.57 C ATOM 221 C SER A 63 17.398 8.478 15.647 1.00 8.36 C ATOM 222 O SER A 63 16.349 8.499 14.989 1.00 8.11 O ATOM 223 CB SER A 63 19.077 6.608 15.451 1.00 8.57 C ATOM 224 OG SER A 63 18.661 6.250 14.145 1.00 8.38 O ATOM 225 HG SER A 63 17.947 5.566 14.203 1.00 0.00 H ATOM 226 H SER A 63 16.221 6.063 15.538 1.00 0.00 H ATOM 227 N TYR A 64 18.160 9.564 15.832 1.00 9.16 N ATOM 228 CA TYR A 64 17.704 10.901 15.469 1.00 9.13 C ATOM 229 C TYR A 64 18.735 11.609 14.605 1.00 10.21 C ATOM 230 O TYR A 64 19.939 11.496 14.844 1.00 10.83 O ATOM 231 CB TYR A 64 17.432 11.750 16.729 1.00 9.65 C ATOM 232 CG TYR A 64 16.475 11.079 17.682 1.00 9.69 C ATOM 233 CD1 TYR A 64 16.936 10.203 18.660 1.00 10.08 C ATOM 234 CD2 TYR A 64 15.109 11.298 17.586 1.00 9.33 C ATOM 235 CE1 TYR A 64 16.064 9.572 19.519 1.00 10.07 C ATOM 236 CE2 TYR A 64 14.229 10.671 18.437 1.00 9.88 C ATOM 237 CZ TYR A 64 14.711 9.809 19.402 1.00 10.91 C ATOM 238 OH TYR A 64 13.830 9.191 20.257 1.00 12.77 O ATOM 239 HH TYR A 64 13.194 8.642 19.733 1.00 0.00 H ATOM 240 H TYR A 64 19.107 9.450 16.248 1.00 0.00 H ATOM 241 N LEU A 65 18.248 12.357 13.611 1.00 10.68 N ATOM 242 CA LEU A 65 19.102 13.189 12.769 1.00 10.87 C ATOM 243 C LEU A 65 18.438 14.538 12.528 1.00 12.88 C ATOM 244 O LEU A 65 17.237 14.608 12.251 1.00 12.71 O ATOM 245 CB LEU A 65 19.395 12.536 11.408 1.00 11.27 C ATOM 246 CG LEU A 65 20.450 13.290 10.582 1.00 13.64 C ATOM 247 CD1 LEU A 65 21.846 13.114 11.170 1.00 16.25 C ATOM 248 CD2 LEU A 65 20.439 12.890 9.110 1.00 15.07 C ATOM 249 H LEU A 65 17.224 12.346 13.431 1.00 0.00 H ATOM 250 N ASP A 66 19.223 15.608 12.628 1.00 16.58 N ATOM 251 CA ASP A 66 18.717 16.941 12.322 1.00 19.60 C ATOM 252 C ASP A 66 18.495 17.096 10.819 1.00 20.72 C ATOM 253 O ASP A 66 19.413 16.878 10.019 1.00 21.61 O ATOM 254 CB ASP A 66 19.706 17.995 12.807 1.00 22.81 C ATOM 255 CG ASP A 66 19.303 19.398 12.393 1.00 24.82 C ATOM 256 OD1 ASP A 66 18.146 19.784 12.662 1.00 23.65 O ATOM 257 OD2 ASP A 66 20.136 20.119 11.798 1.00 28.44 O ATOM 258 H ASP A 66 20.212 15.492 12.929 1.00 0.00 H ATOM 259 N MET A 67 17.277 17.469 10.433 1.00 21.37 N ATOM 260 CA MET A 67 17.031 17.990 9.097 1.00 23.97 C ATOM 261 C MET A 67 17.025 19.503 9.219 1.00 23.34 C ATOM 262 O MET A 67 16.085 20.058 9.807 1.00 23.50 O ATOM 263 CB MET A 67 15.685 17.500 8.567 1.00 25.95 C ATOM 264 CG MET A 67 15.571 15.992 8.444 1.00 28.01 C ATOM 265 SD MET A 67 16.356 15.309 6.975 1.00 29.85 S ATOM 266 CE MET A 67 17.270 13.973 7.727 1.00 30.44 C ATOM 267 H MET A 67 16.484 17.386 11.101 1.00 0.00 H ATOM 268 N PRO A 68 18.040 20.204 8.715 1.00 22.41 N ATOM 269 CA PRO A 68 18.184 21.636 9.017 1.00 23.13 C ATOM 270 C PRO A 68 16.934 22.457 8.726 1.00 26.55 C ATOM 271 O PRO A 68 16.333 22.362 7.652 1.00 27.33 O ATOM 272 CB PRO A 68 19.363 22.053 8.133 1.00 21.49 C ATOM 273 CG PRO A 68 20.213 20.820 8.091 1.00 21.39 C ATOM 274 CD PRO A 68 19.227 19.667 8.025 1.00 21.79 C ATOM 275 N GLY A 69 16.542 23.274 9.710 1.00 28.13 N ATOM 276 CA GLY A 69 15.333 24.069 9.640 1.00 30.78 C ATOM 277 C GLY A 69 14.046 23.305 9.868 1.00 33.66 C ATOM 278 O GLY A 69 12.984 23.934 9.975 1.00 35.36 O ATOM 279 H GLY A 69 17.132 23.342 10.564 1.00 0.00 H ATOM 280 N PHE A 70 14.104 21.974 9.932 1.00 33.66 N ATOM 281 CA PHE A 70 12.931 21.123 10.065 1.00 33.53 C ATOM 282 C PHE A 70 12.845 20.417 11.407 1.00 30.99 C ATOM 283 O PHE A 70 11.738 20.170 11.889 1.00 31.50 O ATOM 284 CB PHE A 70 12.918 20.070 8.946 1.00 35.50 C ATOM 285 CG PHE A 70 11.755 19.119 9.011 1.00 37.41 C ATOM 286 CD1 PHE A 70 10.490 19.520 8.612 1.00 38.37 C ATOM 287 CD2 PHE A 70 11.930 17.820 9.457 1.00 38.23 C ATOM 288 CE1 PHE A 70 9.419 18.646 8.667 1.00 38.84 C ATOM 289 CE2 PHE A 70 10.864 16.941 9.514 1.00 38.68 C ATOM 290 CZ PHE A 70 9.608 17.354 9.118 1.00 38.93 C ATOM 291 H PHE A 70 15.038 21.520 9.884 1.00 0.00 H ATOM 292 N GLY A 71 13.974 20.095 12.022 1.00 27.43 N ATOM 293 CA GLY A 71 13.992 19.428 13.307 1.00 20.97 C ATOM 294 C GLY A 71 14.684 18.079 13.256 1.00 15.80 C ATOM 295 O GLY A 71 15.142 17.607 12.214 1.00 15.45 O ATOM 296 H GLY A 71 14.879 20.330 11.566 1.00 0.00 H ATOM 297 N ALA A 72 14.741 17.463 14.430 1.00 14.12 N ATOM 298 CA ALA A 72 15.392 16.176 14.612 1.00 14.14 C ATOM 299 C ALA A 72 14.385 15.072 14.315 1.00 15.78 C ATOM 300 O ALA A 72 13.375 14.946 15.013 1.00 20.56 O ATOM 301 CB ALA A 72 15.898 16.066 16.048 1.00 14.06 C ATOM 302 H ALA A 72 14.302 17.920 15.254 1.00 0.00 H ATOM 303 N VAL A 73 14.665 14.265 13.299 1.00 10.73 N ATOM 304 CA VAL A 73 13.733 13.244 12.829 1.00 10.25 C ATOM 305 C VAL A 73 14.122 11.889 13.414 1.00 9.66 C ATOM 306 O VAL A 73 15.271 11.447 13.270 1.00 9.73 O ATOM 307 CB VAL A 73 13.687 13.206 11.290 1.00 11.39 C ATOM 308 CG1 VAL A 73 12.738 12.114 10.800 1.00 11.65 C ATOM 309 CG2 VAL A 73 13.262 14.566 10.738 1.00 12.26 C ATOM 310 H VAL A 73 15.583 14.364 12.820 1.00 0.00 H ATOM 311 N ALA A 74 13.165 11.232 14.080 1.00 10.04 N ATOM 312 CA ALA A 74 13.357 9.879 14.594 1.00 9.20 C ATOM 313 C ALA A 74 13.203 8.863 13.472 1.00 9.56 C ATOM 314 O ALA A 74 12.338 9.003 12.608 1.00 11.63 O ATOM 315 CB ALA A 74 12.297 9.562 15.652 1.00 9.92 C ATOM 316 H ALA A 74 12.251 11.703 14.237 1.00 0.00 H ATOM 317 N SER A 75 14.026 7.818 13.505 1.00 8.53 N ATOM 318 CA SER A 75 13.872 6.690 12.599 1.00 7.99 C ATOM 319 C SER A 75 13.972 5.411 13.409 1.00 6.94 C ATOM 320 O SER A 75 14.867 5.282 14.255 1.00 8.62 O ATOM 321 CB SER A 75 14.946 6.682 11.519 1.00 9.24 C ATOM 322 OG SER A 75 14.747 5.567 10.670 1.00 9.08 O ATOM 323 HG SER A 75 14.805 4.734 11.202 1.00 0.00 H ATOM 324 H SER A 75 14.801 7.807 14.198 1.00 0.00 H ATOM 325 N ASN A 76 13.061 4.466 13.137 1.00 7.74 N ATOM 326 CA ASN A 76 12.958 3.212 13.874 1.00 7.64 C ATOM 327 C ASN A 76 13.392 2.030 13.022 1.00 7.68 C ATOM 328 O ASN A 76 13.074 1.956 11.833 1.00 7.86 O ATOM 329 CB ASN A 76 11.512 2.926 14.287 1.00 8.39 C ATOM 330 CG ASN A 76 10.920 4.009 15.149 1.00 9.50 C ATOM 331 OD1 ASN A 76 11.605 4.628 15.975 1.00 10.82 O ATOM 332 ND2 ASN A 76 9.624 4.255 14.960 1.00 10.91 N ATOM 333 HD22 ASN A 76 9.089 3.710 14.255 1.00 0.00 H ATOM 334 HD21 ASN A 76 9.148 4.992 15.518 1.00 0.00 H ATOM 335 H ASN A 76 12.392 4.636 12.359 1.00 0.00 H ATOM 336 N GLY A 77 14.081 1.088 13.660 1.00 7.22 N ATOM 337 CA GLY A 77 14.326 -0.228 13.106 1.00 7.56 C ATOM 338 C GLY A 77 14.054 -1.297 14.142 1.00 7.03 C ATOM 339 O GLY A 77 13.504 -0.995 15.206 1.00 7.47 O ATOM 340 H GLY A 77 14.462 1.307 14.602 1.00 0.00 H ATOM 341 N LEU A 78 14.435 -2.544 13.863 1.00 6.71 N ATOM 342 CA LEU A 78 14.134 -3.649 14.765 1.00 7.23 C ATOM 343 C LEU A 78 15.384 -4.456 15.080 1.00 6.49 C ATOM 344 O LEU A 78 16.346 -4.496 14.304 1.00 7.24 O ATOM 345 CB LEU A 78 13.065 -4.588 14.183 1.00 8.83 C ATOM 346 CG LEU A 78 11.660 -3.989 14.089 1.00 9.43 C ATOM 347 CD1 LEU A 78 10.752 -4.923 13.319 1.00 11.65 C ATOM 348 CD2 LEU A 78 11.081 -3.717 15.475 1.00 10.93 C ATOM 349 H LEU A 78 14.958 -2.732 12.984 1.00 0.00 H ATOM 350 N ILE A 79 15.328 -5.120 16.236 1.00 7.96 N ATOM 351 CA ILE A 79 16.331 -6.069 16.701 1.00 7.76 C ATOM 352 C ILE A 79 15.577 -7.316 17.141 1.00 7.70 C ATOM 353 O ILE A 79 14.648 -7.221 17.946 1.00 9.15 O ATOM 354 CB ILE A 79 17.129 -5.498 17.894 1.00 7.57 C ATOM 355 CG1 ILE A 79 17.772 -4.154 17.528 1.00 8.84 C ATOM 356 CG2 ILE A 79 18.175 -6.498 18.376 1.00 9.15 C ATOM 357 CD1 ILE A 79 18.347 -3.395 18.692 1.00 8.94 C ATOM 358 H ILE A 79 14.507 -4.947 16.851 1.00 0.00 H ATOM 359 N VAL A 80 15.971 -8.478 16.623 1.00 7.28 N ATOM 360 CA VAL A 80 15.272 -9.730 16.894 1.00 7.73 C ATOM 361 C VAL A 80 16.269 -10.765 17.395 1.00 8.14 C ATOM 362 O VAL A 80 17.278 -11.029 16.735 1.00 9.71 O ATOM 363 CB VAL A 80 14.573 -10.257 15.627 1.00 8.81 C ATOM 364 CG1 VAL A 80 13.895 -11.589 15.917 1.00 10.12 C ATOM 365 CG2 VAL A 80 13.577 -9.229 15.104 1.00 9.15 C ATOM 366 H VAL A 80 16.806 -8.494 16.004 1.00 0.00 H ATOM 367 N ARG A 81 15.969 -11.386 18.532 1.00 9.17 N ATOM 368 CA ARG A 81 16.763 -12.527 18.967 1.00 10.86 C ATOM 369 C ARG A 81 16.119 -13.797 18.431 1.00 10.16 C ATOM 370 O ARG A 81 14.935 -14.046 18.671 1.00 11.50 O ATOM 371 CB ARG A 81 16.898 -12.621 20.488 1.00 11.88 C ATOM 372 CG ARG A 81 17.761 -13.832 20.904 1.00 13.00 C ATOM 373 CD ARG A 81 17.954 -13.988 22.418 1.00 14.28 C ATOM 374 NE ARG A 81 16.723 -14.337 23.119 1.00 14.34 N ATOM 375 CZ ARG A 81 16.132 -15.530 23.074 1.00 14.34 C ATOM 376 NH1 ARG A 81 16.645 -16.514 22.352 1.00 14.03 N ATOM 377 NH2 ARG A 81 15.007 -15.738 23.748 1.00 15.89 N ATOM 378 HE ARG A 81 16.273 -13.599 23.697 1.00 0.00 H ATOM 379 HH12 ARG A 81 16.173 -17.440 22.326 1.00 0.00 H ATOM 380 HH11 ARG A 81 17.520 -16.361 21.811 1.00 0.00 H ATOM 381 HH22 ARG A 81 14.545 -16.669 23.714 1.00 0.00 H ATOM 382 HH21 ARG A 81 14.588 -14.970 24.310 1.00 0.00 H ATOM 383 H ARG A 81 15.169 -11.058 19.110 1.00 0.00 H ATOM 384 N ASP A 82 16.906 -14.593 17.712 1.00 10.30 N ATOM 385 CA ASP A 82 16.478 -15.878 17.170 1.00 11.36 C ATOM 386 C ASP A 82 17.409 -16.924 17.778 1.00 11.42 C ATOM 387 O ASP A 82 18.497 -17.183 17.259 1.00 12.48 O ATOM 388 CB ASP A 82 16.554 -15.863 15.641 1.00 11.93 C ATOM 389 CG ASP A 82 16.237 -17.218 15.030 1.00 13.30 C ATOM 390 OD1 ASP A 82 15.436 -17.973 15.621 1.00 14.39 O ATOM 391 OD2 ASP A 82 16.807 -17.539 13.967 1.00 15.18 O ATOM 392 H ASP A 82 17.881 -14.282 17.526 1.00 0.00 H ATOM 393 N GLY A 83 16.985 -17.519 18.887 1.00 12.17 N ATOM 394 CA GLY A 83 17.817 -18.510 19.552 1.00 12.93 C ATOM 395 C GLY A 83 19.100 -17.871 20.040 1.00 12.74 C ATOM 396 O GLY A 83 19.082 -16.912 20.818 1.00 13.34 O ATOM 397 H GLY A 83 16.054 -17.275 19.282 1.00 0.00 H ATOM 398 N GLY A 84 20.234 -18.387 19.572 1.00 12.04 N ATOM 399 CA GLY A 84 21.524 -17.872 19.993 1.00 12.03 C ATOM 400 C GLY A 84 22.135 -16.810 19.102 1.00 12.54 C ATOM 401 O GLY A 84 23.351 -16.589 19.135 1.00 13.83 O ATOM 402 H GLY A 84 20.195 -19.173 18.892 1.00 0.00 H ATOM 403 N ARG A 85 21.322 -16.128 18.303 1.00 11.79 N ATOM 404 CA ARG A 85 21.848 -15.066 17.460 1.00 12.04 C ATOM 405 C ARG A 85 20.851 -13.920 17.386 1.00 10.36 C ATOM 406 O ARG A 85 19.677 -14.053 17.742 1.00 11.62 O ATOM 407 CB ARG A 85 22.204 -15.578 16.066 1.00 13.89 C ATOM 408 CG ARG A 85 20.996 -15.869 15.242 1.00 14.14 C ATOM 409 CD ARG A 85 21.128 -17.127 14.384 1.00 16.19 C ATOM 410 NE ARG A 85 19.882 -17.245 13.644 1.00 15.63 N ATOM 411 CZ ARG A 85 19.747 -16.987 12.347 1.00 13.48 C ATOM 412 NH1 ARG A 85 20.804 -16.665 11.595 1.00 13.30 N ATOM 413 NH2 ARG A 85 18.545 -17.065 11.799 1.00 14.52 N ATOM 414 HE ARG A 85 19.037 -17.553 14.166 1.00 0.00 H ATOM 415 HH12 ARG A 85 20.680 -16.466 10.582 1.00 0.00 H ATOM 416 HH11 ARG A 85 21.750 -16.613 12.023 1.00 0.00 H ATOM 417 HH22 ARG A 85 18.422 -16.866 10.786 1.00 0.00 H ATOM 418 HH21 ARG A 85 17.724 -17.325 12.382 1.00 0.00 H ATOM 419 H ARG A 85 20.307 -16.354 18.280 1.00 0.00 H ATOM 420 N VAL A 86 21.339 -12.780 16.915 1.00 9.12 N ATOM 421 CA VAL A 86 20.538 -11.571 16.792 1.00 8.55 C ATOM 422 C VAL A 86 20.478 -11.165 15.323 1.00 8.53 C ATOM 423 O VAL A 86 21.459 -11.304 14.582 1.00 8.97 O ATOM 424 CB VAL A 86 21.124 -10.441 17.667 1.00 9.48 C ATOM 425 CG1 VAL A 86 20.355 -9.144 17.464 1.00 9.42 C ATOM 426 CG2 VAL A 86 21.129 -10.868 19.129 1.00 11.49 C ATOM 427 H VAL A 86 22.336 -12.749 16.621 1.00 0.00 H ATOM 428 N LEU A 87 19.312 -10.681 14.905 1.00 8.47 N ATOM 429 CA LEU A 87 19.058 -10.194 13.555 1.00 7.83 C ATOM 430 C LEU A 87 18.607 -8.741 13.642 1.00 8.30 C ATOM 431 O LEU A 87 17.807 -8.389 14.509 1.00 9.65 O ATOM 432 CB LEU A 87 17.951 -11.037 12.898 1.00 8.49 C ATOM 433 CG LEU A 87 18.037 -12.555 13.129 1.00 9.27 C ATOM 434 CD1 LEU A 87 16.781 -13.255 12.622 1.00 11.28 C ATOM 435 CD2 LEU A 87 19.284 -13.138 12.478 1.00 10.81 C ATOM 436 H LEU A 87 18.528 -10.648 15.588 1.00 0.00 H ATOM 437 N VAL A 88 19.114 -7.891 12.747 1.00 7.16 N ATOM 438 CA VAL A 88 18.811 -6.461 12.766 1.00 7.96 C ATOM 439 C VAL A 88 18.068 -6.076 11.491 1.00 7.11 C ATOM 440 O VAL A 88 18.405 -6.546 10.398 1.00 6.91 O ATOM 441 CB VAL A 88 20.094 -5.617 12.957 1.00 8.12 C ATOM 442 CG1 VAL A 88 19.836 -4.104 12.733 1.00 9.62 C ATOM 443 CG2 VAL A 88 20.681 -5.871 14.348 1.00 8.87 C ATOM 444 H VAL A 88 19.748 -8.259 12.009 1.00 0.00 H ATOM 445 N VAL A 89 17.046 -5.235 11.640 1.00 6.75 N ATOM 446 CA VAL A 89 16.330 -4.639 10.519 1.00 5.54 C ATOM 447 C VAL A 89 16.610 -3.142 10.563 1.00 5.68 C ATOM 448 O VAL A 89 16.216 -2.462 11.523 1.00 6.96 O ATOM 449 CB VAL A 89 14.818 -4.908 10.576 1.00 6.88 C ATOM 450 CG1 VAL A 89 14.123 -4.270 9.363 1.00 9.61 C ATOM 451 CG2 VAL A 89 14.513 -6.421 10.647 1.00 8.09 C ATOM 452 H VAL A 89 16.744 -4.991 12.605 1.00 0.00 H ATOM 453 N ASP A 90 17.310 -2.654 9.532 1.00 6.87 N ATOM 454 CA ASP A 90 17.683 -1.256 9.299 1.00 6.86 C ATOM 455 C ASP A 90 18.826 -0.769 10.179 1.00 6.02 C ATOM 456 O ASP A 90 18.924 -1.156 11.348 1.00 6.92 O ATOM 457 CB ASP A 90 16.484 -0.314 9.418 1.00 7.31 C ATOM 458 CG ASP A 90 15.544 -0.434 8.251 1.00 9.67 C ATOM 459 OD1 ASP A 90 15.989 -0.921 7.194 1.00 10.38 O ATOM 460 OD2 ASP A 90 14.364 -0.049 8.399 1.00 12.21 O ATOM 461 H ASP A 90 17.624 -3.342 8.818 1.00 0.00 H ATOM 462 N THR A 91 19.706 0.061 9.617 1.00 6.45 N ATOM 463 CA THR A 91 20.699 0.738 10.442 1.00 6.44 C ATOM 464 C THR A 91 20.051 1.939 11.127 1.00 6.77 C ATOM 465 O THR A 91 18.866 2.231 10.937 1.00 7.02 O ATOM 466 CB THR A 91 21.915 1.188 9.615 1.00 6.42 C ATOM 467 OG1 THR A 91 21.567 2.295 8.765 1.00 6.72 O ATOM 468 CG2 THR A 91 22.436 0.059 8.750 1.00 6.85 C ATOM 469 HG1 THR A 91 21.259 3.053 9.322 1.00 0.00 H ATOM 470 H THR A 91 19.684 0.225 8.590 1.00 0.00 H ATOM 471 N ALA A 92 20.839 2.633 11.946 1.00 7.57 N ATOM 472 CA ALA A 92 20.514 3.992 12.353 1.00 7.22 C ATOM 473 C ALA A 92 20.937 4.971 11.250 1.00 7.53 C ATOM 474 O ALA A 92 21.469 4.582 10.208 1.00 8.01 O ATOM 475 CB ALA A 92 21.181 4.315 13.692 1.00 7.97 C ATOM 476 H ALA A 92 21.710 2.192 12.304 1.00 0.00 H ATOM 477 N TRP A 93 20.722 6.271 11.479 1.00 8.04 N ATOM 478 CA TRP A 93 21.082 7.251 10.459 1.00 8.22 C ATOM 479 C TRP A 93 22.580 7.252 10.155 1.00 7.40 C ATOM 480 O TRP A 93 22.980 7.551 9.021 1.00 8.84 O ATOM 481 CB TRP A 93 20.711 8.663 10.910 1.00 7.91 C ATOM 482 CG TRP A 93 19.256 8.990 11.066 1.00 8.21 C ATOM 483 CD1 TRP A 93 18.517 8.893 12.213 1.00 7.87 C ATOM 484 CD2 TRP A 93 18.381 9.553 10.075 1.00 7.94 C ATOM 485 NE1 TRP A 93 17.236 9.341 11.993 1.00 8.53 N ATOM 486 CE2 TRP A 93 17.126 9.756 10.692 1.00 8.68 C ATOM 487 CE3 TRP A 93 18.537 9.911 8.732 1.00 9.29 C ATOM 488 CZ2 TRP A 93 16.030 10.288 10.007 1.00 10.34 C ATOM 489 CZ3 TRP A 93 17.439 10.443 8.051 1.00 10.66 C ATOM 490 CH2 TRP A 93 16.207 10.621 8.688 1.00 11.22 C ATOM 491 HE1 TRP A 93 16.474 9.362 12.700 1.00 0.00 H ATOM 492 H TRP A 93 20.301 6.582 12.378 1.00 0.00 H ATOM 493 N THR A 94 23.431 7.008 11.158 1.00 8.22 N ATOM 494 CA THR A 94 24.868 7.183 10.989 1.00 9.04 C ATOM 495 C THR A 94 25.642 5.956 11.449 1.00 8.07 C ATOM 496 O THR A 94 25.140 5.108 12.189 1.00 8.21 O ATOM 497 CB THR A 94 25.413 8.392 11.769 1.00 10.12 C ATOM 498 OG1 THR A 94 25.398 8.103 13.178 1.00 10.15 O ATOM 499 CG2 THR A 94 24.607 9.667 11.474 1.00 10.69 C ATOM 500 HG1 THR A 94 25.749 8.882 13.677 1.00 0.00 H ATOM 501 H THR A 94 23.060 6.688 12.075 1.00 0.00 H ATOM 502 N ASP A 95 26.911 5.908 11.039 1.00 7.99 N ATOM 503 CA ASP A 95 27.793 4.836 11.487 1.00 8.96 C ATOM 504 C ASP A 95 27.933 4.844 13.006 1.00 9.61 C ATOM 505 O ASP A 95 27.855 3.794 13.653 1.00 8.85 O ATOM 506 CB ASP A 95 29.171 4.986 10.835 1.00 9.48 C ATOM 507 CG ASP A 95 29.156 4.694 9.340 1.00 10.92 C ATOM 508 OD1 ASP A 95 28.407 3.789 8.914 1.00 11.00 O ATOM 509 OD2 ASP A 95 29.917 5.367 8.600 1.00 14.11 O ATOM 510 H ASP A 95 27.274 6.640 10.395 1.00 0.00 H ATOM 511 N ASP A 96 28.173 6.022 13.595 1.00 9.77 N ATOM 512 CA ASP A 96 28.373 6.076 15.042 1.00 10.89 C ATOM 513 C ASP A 96 27.134 5.589 15.788 1.00 9.10 C ATOM 514 O ASP A 96 27.241 4.843 16.769 1.00 10.38 O ATOM 515 CB ASP A 96 28.745 7.495 15.475 1.00 13.09 C ATOM 516 CG ASP A 96 30.180 7.871 15.107 1.00 18.35 C ATOM 517 OD1 ASP A 96 30.970 6.985 14.716 1.00 19.63 O ATOM 518 OD2 ASP A 96 30.514 9.066 15.212 1.00 21.51 O ATOM 519 H ASP A 96 28.217 6.892 13.027 1.00 0.00 H ATOM 520 N GLN A 97 25.947 5.987 15.328 1.00 8.29 N ATOM 521 CA GLN A 97 24.721 5.535 15.976 1.00 7.57 C ATOM 522 C GLN A 97 24.540 4.035 15.800 1.00 7.23 C ATOM 523 O GLN A 97 24.063 3.347 16.714 1.00 8.10 O ATOM 524 CB GLN A 97 23.518 6.262 15.380 1.00 8.94 C ATOM 525 CG GLN A 97 23.432 7.750 15.710 1.00 9.06 C ATOM 526 CD GLN A 97 22.435 8.453 14.797 1.00 9.82 C ATOM 527 OE1 GLN A 97 21.893 7.842 13.879 1.00 10.77 O ATOM 528 NE2 GLN A 97 22.189 9.737 15.045 1.00 11.40 N ATOM 529 HE22 GLN A 97 22.670 10.216 15.833 1.00 0.00 H ATOM 530 HE21 GLN A 97 21.516 10.262 14.451 1.00 0.00 H ATOM 531 H GLN A 97 25.896 6.621 14.505 1.00 0.00 H ATOM 532 N THR A 98 24.888 3.515 14.619 1.00 7.79 N ATOM 533 CA THR A 98 24.742 2.086 14.371 1.00 6.91 C ATOM 534 C THR A 98 25.702 1.285 15.248 1.00 7.31 C ATOM 535 O THR A 98 25.331 0.230 15.787 1.00 8.17 O ATOM 536 CB THR A 98 24.928 1.814 12.875 1.00 7.42 C ATOM 537 OG1 THR A 98 23.927 2.546 12.154 1.00 7.97 O ATOM 538 CG2 THR A 98 24.770 0.343 12.563 1.00 8.70 C ATOM 539 HG1 THR A 98 24.030 3.513 12.338 1.00 0.00 H ATOM 540 H THR A 98 25.265 4.133 13.873 1.00 0.00 H ATOM 541 N ALA A 99 26.930 1.784 15.432 1.00 8.26 N ATOM 542 CA ALA A 99 27.837 1.145 16.378 1.00 9.00 C ATOM 543 C ALA A 99 27.246 1.145 17.783 1.00 9.74 C ATOM 544 O ALA A 99 27.427 0.181 18.538 1.00 9.71 O ATOM 545 CB ALA A 99 29.206 1.828 16.343 1.00 10.59 C ATOM 546 H ALA A 99 27.236 2.625 14.902 1.00 0.00 H ATOM 547 N GLN A 100 26.508 2.199 18.142 1.00 9.84 N ATOM 548 CA GLN A 100 25.844 2.223 19.442 1.00 10.26 C ATOM 549 C GLN A 100 24.729 1.182 19.536 1.00 9.11 C ATOM 550 O GLN A 100 24.501 0.615 20.612 1.00 10.36 O ATOM 551 CB GLN A 100 25.301 3.617 19.735 1.00 12.69 C ATOM 552 CG GLN A 100 26.360 4.592 20.218 1.00 18.18 C ATOM 553 CD GLN A 100 26.682 4.420 21.695 1.00 21.63 C ATOM 554 OE1 GLN A 100 26.962 3.313 22.168 1.00 21.32 O ATOM 555 NE2 GLN A 100 26.635 5.518 22.434 1.00 25.06 N ATOM 556 HE22 GLN A 100 26.395 6.430 21.996 1.00 0.00 H ATOM 557 HE21 GLN A 100 26.838 5.468 23.453 1.00 0.00 H ATOM 558 H GLN A 100 26.406 3.005 17.493 1.00 0.00 H ATOM 559 N ILE A 101 24.000 0.937 18.441 1.00 8.14 N ATOM 560 CA ILE A 101 23.036 -0.166 18.451 1.00 9.02 C ATOM 561 C ILE A 101 23.745 -1.469 18.783 1.00 8.58 C ATOM 562 O ILE A 101 23.265 -2.269 19.598 1.00 8.93 O ATOM 563 CB ILE A 101 22.283 -0.277 17.108 1.00 8.70 C ATOM 564 CG1 ILE A 101 21.362 0.927 16.885 1.00 9.15 C ATOM 565 CG2 ILE A 101 21.487 -1.595 17.057 1.00 8.60 C ATOM 566 CD1 ILE A 101 20.785 0.991 15.486 1.00 9.96 C ATOM 567 H ILE A 101 24.117 1.524 17.591 1.00 0.00 H ATOM 568 N LEU A 102 24.906 -1.700 18.161 1.00 8.26 N ATOM 569 CA LEU A 102 25.633 -2.937 18.422 1.00 8.44 C ATOM 570 C LEU A 102 26.128 -2.984 19.859 1.00 8.64 C ATOM 571 O LEU A 102 26.168 -4.063 20.463 1.00 9.92 O ATOM 572 CB LEU A 102 26.781 -3.101 17.424 1.00 8.05 C ATOM 573 CG LEU A 102 26.358 -3.068 15.950 1.00 8.08 C ATOM 574 CD1 LEU A 102 27.579 -3.200 15.057 1.00 9.52 C ATOM 575 CD2 LEU A 102 25.333 -4.175 15.662 1.00 9.75 C ATOM 576 H LEU A 102 25.289 -1.000 17.494 1.00 0.00 H ATOM 577 N ASN A 103 26.489 -1.830 20.428 1.00 8.68 N ATOM 578 CA ASN A 103 26.879 -1.791 21.833 1.00 9.57 C ATOM 579 C ASN A 103 25.706 -2.144 22.737 1.00 9.77 C ATOM 580 O ASN A 103 25.866 -2.893 23.707 1.00 10.69 O ATOM 581 CB ASN A 103 27.426 -0.409 22.192 1.00 10.59 C ATOM 582 CG ASN A 103 28.741 -0.105 21.508 1.00 12.26 C ATOM 583 OD1 ASN A 103 29.481 -1.012 21.125 1.00 13.65 O ATOM 584 ND2 ASN A 103 29.042 1.180 21.350 1.00 12.84 N ATOM 585 HD22 ASN A 103 28.387 1.913 21.689 1.00 0.00 H ATOM 586 HD21 ASN A 103 29.933 1.452 20.887 1.00 0.00 H ATOM 587 H ASN A 103 26.492 -0.955 19.866 1.00 0.00 H ATOM 588 N TRP A 104 24.521 -1.603 22.444 1.00 9.12 N ATOM 589 CA TRP A 104 23.346 -1.944 23.238 1.00 10.31 C ATOM 590 C TRP A 104 23.047 -3.433 23.150 1.00 9.96 C ATOM 591 O TRP A 104 22.723 -4.069 24.159 1.00 10.09 O ATOM 592 CB TRP A 104 22.142 -1.132 22.761 1.00 10.80 C ATOM 593 CG TRP A 104 20.880 -1.420 23.525 1.00 10.92 C ATOM 594 CD1 TRP A 104 20.419 -0.754 24.621 1.00 11.94 C ATOM 595 CD2 TRP A 104 19.924 -2.457 23.253 1.00 11.79 C ATOM 596 NE1 TRP A 104 19.229 -1.301 25.040 1.00 13.28 N ATOM 597 CE2 TRP A 104 18.910 -2.355 24.225 1.00 12.85 C ATOM 598 CE3 TRP A 104 19.829 -3.461 22.283 1.00 12.04 C ATOM 599 CZ2 TRP A 104 17.811 -3.218 24.254 1.00 13.08 C ATOM 600 CZ3 TRP A 104 18.739 -4.316 22.314 1.00 13.40 C ATOM 601 CH2 TRP A 104 17.747 -4.191 23.295 1.00 13.36 C ATOM 602 HE1 TRP A 104 18.662 -0.968 25.846 1.00 0.00 H ATOM 603 H TRP A 104 24.436 -0.938 21.649 1.00 0.00 H ATOM 604 N ILE A 105 23.159 -4.006 21.948 1.00 10.24 N ATOM 605 CA ILE A 105 22.948 -5.443 21.774 1.00 10.17 C ATOM 606 C ILE A 105 23.932 -6.238 22.629 1.00 10.00 C ATOM 607 O ILE A 105 23.558 -7.215 23.290 1.00 10.82 O ATOM 608 CB ILE A 105 23.027 -5.825 20.283 1.00 9.95 C ATOM 609 CG1 ILE A 105 21.820 -5.262 19.524 1.00 8.75 C ATOM 610 CG2 ILE A 105 23.121 -7.356 20.116 1.00 10.12 C ATOM 611 CD1 ILE A 105 21.972 -5.330 18.023 1.00 8.90 C ATOM 612 H ILE A 105 23.400 -3.421 21.123 1.00 0.00 H ATOM 613 N LYS A 106 25.207 -5.839 22.613 1.00 10.12 N ATOM 614 CA LYS A 106 26.210 -6.534 23.415 1.00 11.18 C ATOM 615 C LYS A 106 25.847 -6.513 24.894 1.00 12.04 C ATOM 616 O LYS A 106 25.931 -7.539 25.576 1.00 13.19 O ATOM 617 CB LYS A 106 27.581 -5.890 23.199 1.00 12.71 C ATOM 618 CG LYS A 106 28.652 -6.336 24.189 1.00 14.96 C ATOM 619 CD LYS A 106 28.948 -7.813 24.048 1.00 17.12 C ATOM 620 CE LYS A 106 30.114 -8.233 24.930 1.00 19.05 C ATOM 621 NZ LYS A 106 30.508 -9.656 24.716 1.00 20.96 N ATOM 622 HZ1 LYS A 106 29.701 -10.275 24.935 1.00 0.00 H ATOM 623 HZ2 LYS A 106 30.791 -9.791 23.724 1.00 0.00 H ATOM 624 HZ3 LYS A 106 31.306 -9.891 25.340 1.00 0.00 H ATOM 625 H LYS A 106 25.487 -5.028 22.025 1.00 0.00 H ATOM 626 N GLN A 107 25.427 -5.354 25.403 1.00 13.02 N ATOM 627 CA GLN A 107 25.137 -5.236 26.828 1.00 14.86 C ATOM 628 C GLN A 107 23.824 -5.917 27.213 1.00 14.46 C ATOM 629 O GLN A 107 23.740 -6.547 28.272 1.00 16.78 O ATOM 630 CB GLN A 107 25.130 -3.759 27.229 1.00 18.26 C ATOM 631 CG GLN A 107 26.481 -3.061 27.047 1.00 22.42 C ATOM 632 CD GLN A 107 26.515 -1.662 27.654 1.00 25.98 C ATOM 633 OE1 GLN A 107 25.882 -1.400 28.681 1.00 27.80 O ATOM 634 NE2 GLN A 107 27.253 -0.757 27.019 1.00 26.27 N ATOM 635 HE22 GLN A 107 27.771 -1.021 26.156 1.00 0.00 H ATOM 636 HE21 GLN A 107 27.313 0.215 27.385 1.00 0.00 H ATOM 637 H GLN A 107 25.306 -4.530 24.781 1.00 0.00 H ATOM 638 N GLU A 108 22.789 -5.813 26.375 1.00 13.17 N ATOM 639 CA GLU A 108 21.453 -6.253 26.769 1.00 14.62 C ATOM 640 C GLU A 108 21.076 -7.644 26.273 1.00 14.40 C ATOM 641 O GLU A 108 20.169 -8.260 26.844 1.00 16.60 O ATOM 642 CB GLU A 108 20.402 -5.243 26.295 1.00 16.12 C ATOM 643 CG GLU A 108 20.596 -3.850 26.879 1.00 19.58 C ATOM 644 CD GLU A 108 20.183 -3.757 28.343 1.00 24.05 C ATOM 645 OE1 GLU A 108 19.521 -4.691 28.842 1.00 25.63 O ATOM 646 OE2 GLU A 108 20.497 -2.733 28.987 1.00 25.65 O ATOM 647 H GLU A 108 22.937 -5.412 25.427 1.00 0.00 H ATOM 648 N ILE A 109 21.729 -8.147 25.224 1.00 12.16 N ATOM 649 CA ILE A 109 21.470 -9.478 24.689 1.00 11.15 C ATOM 650 C ILE A 109 22.712 -10.360 24.741 1.00 11.94 C ATOM 651 O ILE A 109 22.638 -11.532 25.125 1.00 13.05 O ATOM 652 CB ILE A 109 20.885 -9.422 23.260 1.00 10.96 C ATOM 653 CG1 ILE A 109 19.621 -8.548 23.236 1.00 12.07 C ATOM 654 CG2 ILE A 109 20.592 -10.841 22.770 1.00 12.76 C ATOM 655 CD1 ILE A 109 19.077 -8.272 21.852 1.00 12.03 C ATOM 656 H ILE A 109 22.457 -7.562 24.766 1.00 0.00 H ATOM 657 N ASN A 110 23.863 -9.819 24.333 1.00 11.90 N ATOM 658 CA ASN A 110 25.142 -10.520 24.443 1.00 13.56 C ATOM 659 C ASN A 110 25.168 -11.805 23.613 1.00 12.57 C ATOM 660 O ASN A 110 25.598 -12.865 24.078 1.00 14.23 O ATOM 661 CB ASN A 110 25.522 -10.790 25.903 1.00 15.45 C ATOM 662 CG ASN A 110 26.967 -11.190 26.056 1.00 17.45 C ATOM 663 OD1 ASN A 110 27.816 -10.775 25.269 1.00 18.21 O ATOM 664 ND2 ASN A 110 27.257 -12.014 27.064 1.00 17.65 N ATOM 665 HD22 ASN A 110 26.504 -12.338 27.704 1.00 0.00 H ATOM 666 HD21 ASN A 110 28.236 -12.332 27.210 1.00 0.00 H ATOM 667 H ASN A 110 23.849 -8.864 23.922 1.00 0.00 H ATOM 668 N LEU A 111 24.714 -11.695 22.369 1.00 11.07 N ATOM 669 CA LEU A 111 24.805 -12.761 21.385 1.00 11.67 C ATOM 670 C LEU A 111 25.250 -12.154 20.061 1.00 11.88 C ATOM 671 O LEU A 111 25.028 -10.960 19.822 1.00 11.83 O ATOM 672 CB LEU A 111 23.444 -13.449 21.198 1.00 11.95 C ATOM 673 CG LEU A 111 22.934 -14.256 22.399 1.00 11.78 C ATOM 674 CD1 LEU A 111 21.470 -14.621 22.176 1.00 12.83 C ATOM 675 CD2 LEU A 111 23.781 -15.505 22.611 1.00 12.76 C ATOM 676 H LEU A 111 24.270 -10.799 22.084 1.00 0.00 H ATOM 677 N PRO A 112 25.893 -12.941 19.192 1.00 12.55 N ATOM 678 CA PRO A 112 26.384 -12.383 17.924 1.00 11.81 C ATOM 679 C PRO A 112 25.241 -11.919 17.036 1.00 10.66 C ATOM 680 O PRO A 112 24.154 -12.497 17.031 1.00 12.15 O ATOM 681 CB PRO A 112 27.133 -13.558 17.280 1.00 13.54 C ATOM 682 CG PRO A 112 26.567 -14.780 17.920 1.00 15.96 C ATOM 683 CD PRO A 112 26.210 -14.377 19.327 1.00 13.74 C ATOM 684 N VAL A 113 25.497 -10.858 16.277 1.00 10.22 N ATOM 685 CA VAL A 113 24.543 -10.376 15.285 1.00 9.72 C ATOM 686 C VAL A 113 24.836 -11.109 13.976 1.00 10.05 C ATOM 687 O VAL A 113 25.862 -10.874 13.328 1.00 10.75 O ATOM 688 CB VAL A 113 24.609 -8.852 15.123 1.00 9.71 C ATOM 689 CG1 VAL A 113 23.624 -8.377 14.054 1.00 10.73 C ATOM 690 CG2 VAL A 113 24.321 -8.165 16.459 1.00 10.16 C ATOM 691 H VAL A 113 26.402 -10.358 16.394 1.00 0.00 H ATOM 692 N ALA A 114 23.939 -12.018 13.591 1.00 9.22 N ATOM 693 CA ALA A 114 24.219 -12.877 12.448 1.00 9.63 C ATOM 694 C ALA A 114 24.047 -12.162 11.122 1.00 9.41 C ATOM 695 O ALA A 114 24.735 -12.498 10.152 1.00 11.07 O ATOM 696 CB ALA A 114 23.325 -14.120 12.475 1.00 11.83 C ATOM 697 H ALA A 114 23.041 -12.113 14.106 1.00 0.00 H ATOM 698 N LEU A 115 23.138 -11.195 11.050 1.00 7.81 N ATOM 699 CA LEU A 115 22.881 -10.511 9.793 1.00 8.12 C ATOM 700 C LEU A 115 22.031 -9.283 10.067 1.00 7.42 C ATOM 701 O LEU A 115 21.376 -9.171 11.109 1.00 8.02 O ATOM 702 CB LEU A 115 22.174 -11.428 8.787 1.00 8.82 C ATOM 703 CG LEU A 115 20.781 -11.932 9.172 1.00 10.87 C ATOM 704 CD1 LEU A 115 19.685 -11.019 8.645 1.00 11.63 C ATOM 705 CD2 LEU A 115 20.574 -13.346 8.657 1.00 12.30 C ATOM 706 H LEU A 115 22.605 -10.925 11.901 1.00 0.00 H ATOM 707 N ALA A 116 22.029 -8.384 9.094 1.00 7.11 N ATOM 708 CA ALA A 116 21.135 -7.243 9.067 1.00 7.19 C ATOM 709 C ALA A 116 20.530 -7.145 7.679 1.00 6.11 C ATOM 710 O ALA A 116 21.205 -7.420 6.676 1.00 7.58 O ATOM 711 CB ALA A 116 21.897 -5.950 9.367 1.00 8.79 C ATOM 712 H ALA A 116 22.702 -8.503 8.310 1.00 0.00 H ATOM 713 N VAL A 117 19.259 -6.757 7.626 1.00 7.12 N ATOM 714 CA VAL A 117 18.574 -6.453 6.377 1.00 7.02 C ATOM 715 C VAL A 117 18.109 -5.008 6.454 1.00 6.00 C ATOM 716 O VAL A 117 17.631 -4.561 7.503 1.00 7.42 O ATOM 717 CB VAL A 117 17.408 -7.434 6.099 1.00 8.83 C ATOM 718 CG1 VAL A 117 16.407 -7.469 7.249 1.00 9.59 C ATOM 719 CG2 VAL A 117 16.719 -7.113 4.778 1.00 9.47 C ATOM 720 H VAL A 117 18.730 -6.667 8.517 1.00 0.00 H ATOM 721 N VAL A 118 18.306 -4.263 5.369 1.00 5.71 N ATOM 722 CA VAL A 118 17.969 -2.844 5.322 1.00 6.66 C ATOM 723 C VAL A 118 16.904 -2.632 4.253 1.00 6.77 C ATOM 724 O VAL A 118 16.896 -3.324 3.228 1.00 7.33 O ATOM 725 CB VAL A 118 19.215 -1.969 5.081 1.00 8.58 C ATOM 726 CG1 VAL A 118 20.195 -2.145 6.235 1.00 9.79 C ATOM 727 CG2 VAL A 118 19.863 -2.328 3.760 1.00 10.00 C ATOM 728 H VAL A 118 18.715 -4.709 4.523 1.00 0.00 H ATOM 729 N THR A 119 15.986 -1.693 4.505 1.00 6.81 N ATOM 730 CA THR A 119 14.706 -1.724 3.803 1.00 7.55 C ATOM 731 C THR A 119 14.543 -0.725 2.660 1.00 7.04 C ATOM 732 O THR A 119 13.537 -0.818 1.948 1.00 8.48 O ATOM 733 CB THR A 119 13.515 -1.675 4.778 1.00 7.45 C ATOM 734 OG1 THR A 119 13.554 -0.474 5.558 1.00 7.94 O ATOM 735 CG2 THR A 119 13.561 -2.893 5.709 1.00 8.51 C ATOM 736 HG1 THR A 119 14.397 -0.446 6.077 1.00 0.00 H ATOM 737 H THR A 119 16.183 -0.943 5.198 1.00 0.00 H ATOM 738 N HIS A 120 15.489 0.198 2.450 1.00 6.89 N ATOM 739 CA HIS A 120 15.603 0.948 1.192 1.00 7.68 C ATOM 740 C HIS A 120 16.827 1.855 1.279 1.00 7.34 C ATOM 741 O HIS A 120 17.416 2.027 2.348 1.00 8.45 O ATOM 742 CB HIS A 120 14.353 1.734 0.755 1.00 7.86 C ATOM 743 CG HIS A 120 13.994 2.878 1.649 1.00 7.58 C ATOM 744 ND1 HIS A 120 13.205 2.728 2.768 1.00 8.87 N ATOM 745 CD2 HIS A 120 14.267 4.204 1.552 1.00 7.53 C ATOM 746 CE1 HIS A 120 13.028 3.909 3.337 1.00 10.19 C ATOM 747 NE2 HIS A 120 13.656 4.822 2.618 1.00 8.86 N ATOM 748 H HIS A 120 16.172 0.393 3.209 1.00 0.00 H ATOM 749 N ALA A 121 17.191 2.450 0.137 1.00 7.39 N ATOM 750 CA ALA A 121 18.446 3.197 0.013 1.00 8.52 C ATOM 751 C ALA A 121 18.281 4.679 0.370 1.00 7.97 C ATOM 752 O ALA A 121 18.545 5.572 -0.432 1.00 9.01 O ATOM 753 CB ALA A 121 19.028 3.028 -1.388 1.00 9.39 C ATOM 754 H ALA A 121 16.563 2.380 -0.689 1.00 0.00 H ATOM 755 N HIS A 122 17.846 4.936 1.603 1.00 7.19 N ATOM 756 CA HIS A 122 17.904 6.268 2.192 1.00 7.43 C ATOM 757 C HIS A 122 18.690 6.191 3.497 1.00 6.55 C ATOM 758 O HIS A 122 18.841 5.117 4.086 1.00 6.84 O ATOM 759 CB HIS A 122 16.505 6.828 2.489 1.00 8.31 C ATOM 760 CG HIS A 122 15.793 7.401 1.301 1.00 9.40 C ATOM 761 ND1 HIS A 122 14.422 7.554 1.269 1.00 9.52 N ATOM 762 CD2 HIS A 122 16.257 7.909 0.134 1.00 10.05 C ATOM 763 CE1 HIS A 122 14.070 8.111 0.123 1.00 10.43 C ATOM 764 NE2 HIS A 122 15.164 8.331 -0.588 1.00 11.09 N ATOM 765 H HIS A 122 17.450 4.157 2.166 1.00 0.00 H ATOM 766 N GLN A 123 19.150 7.357 3.964 1.00 6.69 N ATOM 767 CA GLN A 123 20.082 7.421 5.088 1.00 7.78 C ATOM 768 C GLN A 123 19.502 6.835 6.373 1.00 7.10 C ATOM 769 O GLN A 123 20.248 6.244 7.168 1.00 7.33 O ATOM 770 CB GLN A 123 20.531 8.861 5.323 1.00 7.44 C ATOM 771 CG GLN A 123 21.662 8.966 6.326 1.00 10.14 C ATOM 772 CD GLN A 123 22.026 10.387 6.651 1.00 14.19 C ATOM 773 OE1 GLN A 123 21.423 11.330 6.142 1.00 15.78 O ATOM 774 NE2 GLN A 123 23.013 10.553 7.516 1.00 16.64 N ATOM 775 HE22 GLN A 123 23.494 9.725 7.921 1.00 0.00 H ATOM 776 HE21 GLN A 123 23.308 11.512 7.791 1.00 0.00 H ATOM 777 H GLN A 123 18.836 8.241 3.515 1.00 0.00 H ATOM 778 N ASP A 124 18.268 7.025 6.647 1.00 7.56 N ATOM 779 CA ASP A 124 17.680 6.500 7.848 1.00 7.81 C ATOM 780 C ASP A 124 17.721 4.964 7.949 1.00 7.69 C ATOM 781 O ASP A 124 17.686 4.476 8.985 1.00 8.05 O ATOM 782 CB ASP A 124 16.261 7.101 8.112 1.00 8.19 C ATOM 783 CG ASP A 124 15.277 6.929 6.950 1.00 11.36 C ATOM 784 OD1 ASP A 124 15.660 6.797 5.846 1.00 10.25 O ATOM 785 OD2 ASP A 124 14.133 7.005 7.263 1.00 15.55 O ATOM 786 H ASP A 124 17.678 7.571 5.987 1.00 0.00 H ATOM 787 N LYS A 125 17.787 4.294 6.811 1.00 7.33 N ATOM 788 CA LYS A 125 17.780 2.835 6.776 1.00 6.80 C ATOM 789 C LYS A 125 19.131 2.226 6.453 1.00 6.91 C ATOM 790 O LYS A 125 19.391 1.080 6.851 1.00 7.55 O ATOM 791 CB LYS A 125 16.769 2.322 5.734 1.00 8.16 C ATOM 792 CG LYS A 125 15.447 3.087 5.681 1.00 9.95 C ATOM 793 CD LYS A 125 14.453 2.610 6.742 1.00 11.51 C ATOM 794 CE LYS A 125 14.671 3.251 8.106 1.00 11.71 C ATOM 795 NZ LYS A 125 13.812 2.591 9.134 1.00 11.11 N ATOM 796 HZ1 LYS A 125 12.812 2.694 8.866 1.00 0.00 H ATOM 797 HZ2 LYS A 125 14.055 1.581 9.191 1.00 0.00 H ATOM 798 HZ3 LYS A 125 13.973 3.040 10.058 1.00 0.00 H ATOM 799 H LYS A 125 17.846 4.821 5.916 1.00 0.00 H ATOM 800 N MET A 126 19.994 2.939 5.724 1.00 6.87 N ATOM 801 CA MET A 126 21.278 2.386 5.311 1.00 7.04 C ATOM 802 C MET A 126 22.472 3.241 5.702 1.00 7.66 C ATOM 803 O MET A 126 23.605 2.875 5.365 1.00 9.06 O ATOM 804 CB MET A 126 21.310 2.135 3.794 1.00 7.63 C ATOM 805 CG MET A 126 20.337 1.078 3.350 1.00 7.39 C ATOM 806 SD MET A 126 20.394 0.692 1.586 1.00 8.55 S ATOM 807 CE MET A 126 22.007 -0.077 1.395 1.00 8.90 C ATOM 808 H MET A 126 19.744 3.909 5.445 1.00 0.00 H ATOM 809 N GLY A 127 22.256 4.369 6.386 1.00 7.45 N ATOM 810 CA GLY A 127 23.350 5.278 6.682 1.00 7.75 C ATOM 811 C GLY A 127 24.475 4.664 7.489 1.00 7.52 C ATOM 812 O GLY A 127 25.599 5.186 7.461 1.00 9.02 O ATOM 813 H GLY A 127 21.295 4.598 6.710 1.00 0.00 H ATOM 814 N GLY A 128 24.208 3.567 8.200 1.00 7.14 N ATOM 815 CA GLY A 128 25.215 2.969 9.053 1.00 7.00 C ATOM 816 C GLY A 128 25.792 1.668 8.534 1.00 7.14 C ATOM 817 O GLY A 128 26.334 0.887 9.320 1.00 8.17 O ATOM 818 H GLY A 128 23.264 3.135 8.141 1.00 0.00 H ATOM 819 N MET A 129 25.720 1.448 7.212 1.00 7.48 N ATOM 820 CA MET A 129 26.215 0.207 6.621 1.00 7.66 C ATOM 821 C MET A 129 27.671 -0.066 6.998 1.00 7.82 C ATOM 822 O MET A 129 28.038 -1.207 7.310 1.00 9.77 O ATOM 823 CB MET A 129 26.062 0.272 5.103 1.00 9.00 C ATOM 824 CG MET A 129 26.266 -1.045 4.398 1.00 8.82 C ATOM 825 SD MET A 129 25.127 -2.338 4.913 1.00 9.22 S ATOM 826 CE MET A 129 23.623 -1.768 4.129 1.00 9.47 C ATOM 827 H MET A 129 25.304 2.175 6.596 1.00 0.00 H ATOM 828 N ASP A 130 28.525 0.963 6.952 1.00 8.44 N ATOM 829 CA ASP A 130 29.946 0.750 7.242 1.00 9.25 C ATOM 830 C ASP A 130 30.156 0.222 8.658 1.00 8.75 C ATOM 831 O ASP A 130 31.077 -0.566 8.899 1.00 8.96 O ATOM 832 CB ASP A 130 30.755 2.034 7.027 1.00 10.86 C ATOM 833 CG ASP A 130 31.245 2.207 5.588 1.00 12.08 C ATOM 834 OD1 ASP A 130 31.230 1.233 4.805 1.00 12.95 O ATOM 835 OD2 ASP A 130 31.656 3.337 5.242 1.00 13.85 O ATOM 836 H ASP A 130 28.181 1.914 6.710 1.00 0.00 H ATOM 837 N ALA A 131 29.337 0.669 9.616 1.00 8.20 N ATOM 838 CA ALA A 131 29.478 0.186 10.992 1.00 7.97 C ATOM 839 C ALA A 131 29.152 -1.300 11.093 1.00 8.05 C ATOM 840 O ALA A 131 29.797 -2.033 11.855 1.00 9.38 O ATOM 841 CB ALA A 131 28.589 0.992 11.938 1.00 9.58 C ATOM 842 H ALA A 131 28.597 1.362 9.383 1.00 0.00 H ATOM 843 N LEU A 132 28.146 -1.757 10.342 1.00 7.72 N ATOM 844 CA LEU A 132 27.845 -3.184 10.311 1.00 8.23 C ATOM 845 C LEU A 132 28.995 -3.973 9.703 1.00 7.75 C ATOM 846 O LEU A 132 29.372 -5.038 10.214 1.00 9.15 O ATOM 847 CB LEU A 132 26.561 -3.423 9.514 1.00 8.65 C ATOM 848 CG LEU A 132 25.293 -2.806 10.103 1.00 9.02 C ATOM 849 CD1 LEU A 132 24.090 -3.152 9.229 1.00 8.81 C ATOM 850 CD2 LEU A 132 25.061 -3.235 11.553 1.00 8.71 C ATOM 851 H LEU A 132 27.576 -1.094 9.778 1.00 0.00 H ATOM 852 N HIS A 133 29.560 -3.471 8.607 1.00 8.31 N ATOM 853 CA HIS A 133 30.658 -4.182 7.963 1.00 9.25 C ATOM 854 C HIS A 133 31.894 -4.204 8.848 1.00 9.51 C ATOM 855 O HIS A 133 32.570 -5.236 8.950 1.00 10.64 O ATOM 856 CB HIS A 133 30.948 -3.556 6.604 1.00 10.20 C ATOM 857 CG HIS A 133 29.802 -3.680 5.657 1.00 12.28 C ATOM 858 ND1 HIS A 133 29.695 -2.932 4.504 1.00 13.56 N ATOM 859 CD2 HIS A 133 28.704 -4.474 5.697 1.00 13.66 C ATOM 860 CE1 HIS A 133 28.589 -3.272 3.866 1.00 14.68 C ATOM 861 NE2 HIS A 133 27.960 -4.193 4.577 1.00 14.40 N ATOM 862 H HIS A 133 29.218 -2.572 8.210 1.00 0.00 H ATOM 863 N ALA A 134 32.195 -3.082 9.512 1.00 9.58 N ATOM 864 CA ALA A 134 33.337 -3.049 10.422 1.00 8.76 C ATOM 865 C ALA A 134 33.186 -4.077 11.535 1.00 9.62 C ATOM 866 O ALA A 134 34.185 -4.621 12.018 1.00 11.98 O ATOM 867 CB ALA A 134 33.513 -1.642 10.995 1.00 9.49 C ATOM 868 H ALA A 134 31.613 -2.230 9.380 1.00 0.00 H ATOM 869 N ALA A 135 31.947 -4.374 11.933 1.00 9.31 N ATOM 870 CA ALA A 135 31.660 -5.350 12.977 1.00 10.13 C ATOM 871 C ALA A 135 31.634 -6.785 12.469 1.00 11.68 C ATOM 872 O ALA A 135 31.440 -7.703 13.276 1.00 12.59 O ATOM 873 CB ALA A 135 30.321 -5.021 13.650 1.00 10.57 C ATOM 874 H ALA A 135 31.149 -3.886 11.477 1.00 0.00 H ATOM 875 N GLY A 136 31.790 -6.999 11.164 1.00 10.86 N ATOM 876 CA GLY A 136 31.770 -8.340 10.618 1.00 11.25 C ATOM 877 C GLY A 136 30.393 -8.922 10.395 1.00 10.05 C ATOM 878 O GLY A 136 30.262 -10.148 10.300 1.00 12.28 O ATOM 879 H GLY A 136 31.929 -6.189 10.526 1.00 0.00 H ATOM 880 N ILE A 137 29.364 -8.086 10.285 1.00 8.85 N ATOM 881 CA ILE A 137 27.981 -8.549 10.167 1.00 9.01 C ATOM 882 C ILE A 137 27.601 -8.647 8.695 1.00 10.64 C ATOM 883 O ILE A 137 27.819 -7.705 7.926 1.00 11.95 O ATOM 884 CB ILE A 137 27.031 -7.604 10.921 1.00 9.00 C ATOM 885 CG1 ILE A 137 27.366 -7.642 12.409 1.00 8.98 C ATOM 886 CG2 ILE A 137 25.553 -7.976 10.673 1.00 9.07 C ATOM 887 CD1 ILE A 137 26.815 -6.463 13.190 1.00 9.57 C ATOM 888 H ILE A 137 29.550 -7.063 10.283 1.00 0.00 H ATOM 889 N ALA A 138 27.021 -9.781 8.306 1.00 9.35 N ATOM 890 CA ALA A 138 26.548 -9.968 6.937 1.00 8.24 C ATOM 891 C ALA A 138 25.329 -9.090 6.676 1.00 7.31 C ATOM 892 O ALA A 138 24.391 -9.064 7.477 1.00 8.53 O ATOM 893 CB ALA A 138 26.172 -11.431 6.715 1.00 9.13 C ATOM 894 H ALA A 138 26.902 -10.552 8.994 1.00 0.00 H ATOM 895 N THR A 139 25.334 -8.369 5.554 1.00 7.11 N ATOM 896 CA THR A 139 24.288 -7.391 5.276 1.00 7.46 C ATOM 897 C THR A 139 23.564 -7.709 3.978 1.00 7.12 C ATOM 898 O THR A 139 24.172 -8.168 3.007 1.00 8.02 O ATOM 899 CB THR A 139 24.839 -5.967 5.234 1.00 8.99 C ATOM 900 OG1 THR A 139 25.891 -5.896 4.275 1.00 9.68 O ATOM 901 CG2 THR A 139 25.367 -5.557 6.597 1.00 9.55 C ATOM 902 HG1 THR A 139 26.249 -4.973 4.247 1.00 0.00 H ATOM 903 H THR A 139 26.099 -8.507 4.863 1.00 0.00 H ATOM 904 N TYR A 140 22.260 -7.444 3.978 1.00 6.70 N ATOM 905 CA TYR A 140 21.349 -7.780 2.895 1.00 6.76 C ATOM 906 C TYR A 140 20.463 -6.584 2.577 1.00 6.50 C ATOM 907 O TYR A 140 19.998 -5.882 3.483 1.00 7.49 O ATOM 908 CB TYR A 140 20.442 -8.963 3.305 1.00 7.32 C ATOM 909 CG TYR A 140 21.234 -10.221 3.549 1.00 7.32 C ATOM 910 CD1 TYR A 140 21.845 -10.450 4.777 1.00 7.87 C ATOM 911 CD2 TYR A 140 21.398 -11.161 2.547 1.00 7.57 C ATOM 912 CE1 TYR A 140 22.607 -11.582 4.999 1.00 8.51 C ATOM 913 CE2 TYR A 140 22.150 -12.296 2.755 1.00 8.06 C ATOM 914 CZ TYR A 140 22.757 -12.502 3.981 1.00 8.43 C ATOM 915 OH TYR A 140 23.512 -13.635 4.186 1.00 11.49 O ATOM 916 HH TYR A 140 24.261 -13.653 3.538 1.00 0.00 H ATOM 917 H TYR A 140 21.864 -6.963 4.811 1.00 0.00 H ATOM 918 N ALA A 141 20.213 -6.372 1.284 1.00 6.72 N ATOM 919 CA ALA A 141 19.265 -5.361 0.831 1.00 7.67 C ATOM 920 C ALA A 141 18.672 -5.825 -0.490 1.00 7.64 C ATOM 921 O ALA A 141 19.267 -6.633 -1.199 1.00 7.86 O ATOM 922 CB ALA A 141 19.933 -3.997 0.615 1.00 8.01 C ATOM 923 H ALA A 141 20.711 -6.947 0.575 1.00 0.00 H ATOM 924 N ASN A 142 17.497 -5.293 -0.822 1.00 7.88 N ATOM 925 CA ASN A 142 16.961 -5.433 -2.173 1.00 8.40 C ATOM 926 C ASN A 142 18.063 -5.118 -3.182 1.00 8.50 C ATOM 927 O ASN A 142 18.791 -4.135 -3.027 1.00 8.76 O ATOM 928 CB ASN A 142 15.816 -4.421 -2.313 1.00 9.06 C ATOM 929 CG ASN A 142 15.049 -4.538 -3.624 1.00 10.20 C ATOM 930 OD1 ASN A 142 15.437 -5.253 -4.549 1.00 11.58 O ATOM 931 ND2 ASN A 142 13.939 -3.820 -3.700 1.00 10.11 N ATOM 932 HD22 ASN A 142 13.646 -3.229 -2.896 1.00 0.00 H ATOM 933 HD21 ASN A 142 13.360 -3.847 -4.564 1.00 0.00 H ATOM 934 H ASN A 142 16.952 -4.769 -0.107 1.00 0.00 H ATOM 935 N ALA A 143 18.211 -5.977 -4.200 1.00 8.80 N ATOM 936 CA ALA A 143 19.140 -5.704 -5.291 1.00 9.78 C ATOM 937 C ALA A 143 19.037 -4.257 -5.769 1.00 9.06 C ATOM 938 O ALA A 143 20.058 -3.599 -6.007 1.00 9.60 O ATOM 939 CB ALA A 143 18.888 -6.656 -6.463 1.00 11.25 C ATOM 940 H ALA A 143 17.653 -6.855 -4.212 1.00 0.00 H ATOM 941 N LEU A 144 17.809 -3.749 -5.902 1.00 9.07 N ATOM 942 CA LEU A 144 17.627 -2.380 -6.376 1.00 8.79 C ATOM 943 C LEU A 144 18.177 -1.364 -5.383 1.00 8.34 C ATOM 944 O LEU A 144 18.725 -0.335 -5.790 1.00 8.65 O ATOM 945 CB LEU A 144 16.155 -2.110 -6.681 1.00 9.62 C ATOM 946 CG LEU A 144 15.819 -0.721 -7.225 1.00 11.33 C ATOM 947 CD1 LEU A 144 16.666 -0.384 -8.458 1.00 12.56 C ATOM 948 CD2 LEU A 144 14.337 -0.632 -7.544 1.00 12.21 C ATOM 949 H LEU A 144 16.979 -4.331 -5.667 1.00 0.00 H ATOM 950 N SER A 145 18.040 -1.631 -4.080 1.00 7.88 N ATOM 951 CA SER A 145 18.660 -0.761 -3.079 1.00 7.79 C ATOM 952 C SER A 145 20.176 -0.721 -3.245 1.00 8.31 C ATOM 953 O SER A 145 20.793 0.349 -3.150 1.00 9.25 O ATOM 954 CB SER A 145 18.317 -1.240 -1.667 1.00 7.83 C ATOM 955 OG SER A 145 16.916 -1.330 -1.456 1.00 8.20 O ATOM 956 HG SER A 145 16.506 -0.439 -1.587 1.00 0.00 H ATOM 957 H SER A 145 17.491 -2.460 -3.776 1.00 0.00 H ATOM 958 N ASN A 146 20.800 -1.878 -3.493 1.00 8.32 N ATOM 959 CA ASN A 146 22.252 -1.894 -3.667 1.00 8.29 C ATOM 960 C ASN A 146 22.671 -1.161 -4.931 1.00 8.82 C ATOM 961 O ASN A 146 23.701 -0.474 -4.946 1.00 10.13 O ATOM 962 CB ASN A 146 22.780 -3.325 -3.657 1.00 7.93 C ATOM 963 CG ASN A 146 22.705 -3.940 -2.277 1.00 9.24 C ATOM 964 OD1 ASN A 146 22.772 -3.221 -1.279 1.00 10.57 O ATOM 965 ND2 ASN A 146 22.561 -5.259 -2.206 1.00 9.61 N ATOM 966 HD22 ASN A 146 22.509 -5.824 -3.078 1.00 0.00 H ATOM 967 HD21 ASN A 146 22.500 -5.726 -1.279 1.00 0.00 H ATOM 968 H ASN A 146 20.255 -2.761 -3.562 1.00 0.00 H ATOM 969 N GLN A 147 21.885 -1.287 -5.999 1.00 9.96 N ATOM 970 CA GLN A 147 22.181 -0.553 -7.223 1.00 11.35 C ATOM 971 C GLN A 147 22.060 0.955 -7.011 1.00 10.88 C ATOM 972 O GLN A 147 22.884 1.731 -7.511 1.00 11.57 O ATOM 973 CB GLN A 147 21.247 -1.030 -8.336 1.00 13.27 C ATOM 974 CG GLN A 147 21.457 -0.320 -9.667 1.00 18.08 C ATOM 975 CD GLN A 147 20.268 -0.474 -10.595 1.00 22.69 C ATOM 976 OE1 GLN A 147 19.844 -1.588 -10.894 1.00 24.77 O ATOM 977 NE2 GLN A 147 19.721 0.649 -11.050 1.00 24.89 N ATOM 978 HE22 GLN A 147 20.114 1.570 -10.769 1.00 0.00 H ATOM 979 HE21 GLN A 147 18.900 0.607 -11.686 1.00 0.00 H ATOM 980 H GLN A 147 21.055 -1.913 -5.959 1.00 0.00 H ATOM 981 N LEU A 148 21.041 1.386 -6.268 1.00 9.87 N ATOM 982 CA LEU A 148 20.823 2.805 -6.019 1.00 9.63 C ATOM 983 C LEU A 148 21.759 3.381 -4.966 1.00 9.81 C ATOM 984 O LEU A 148 21.911 4.603 -4.904 1.00 11.10 O ATOM 985 CB LEU A 148 19.383 3.042 -5.548 1.00 9.42 C ATOM 986 CG LEU A 148 18.276 2.811 -6.579 1.00 11.13 C ATOM 987 CD1 LEU A 148 16.900 2.812 -5.912 1.00 12.05 C ATOM 988 CD2 LEU A 148 18.348 3.862 -7.665 1.00 13.45 C ATOM 989 H LEU A 148 20.385 0.692 -5.856 1.00 0.00 H ATOM 990 N ALA A 149 22.361 2.544 -4.125 1.00 10.33 N ATOM 991 CA ALA A 149 23.092 3.050 -2.965 1.00 9.59 C ATOM 992 C ALA A 149 24.131 4.111 -3.310 1.00 10.18 C ATOM 993 O ALA A 149 24.098 5.194 -2.701 1.00 10.27 O ATOM 994 CB ALA A 149 23.666 1.879 -2.157 1.00 10.42 C ATOM 995 H ALA A 149 22.311 1.519 -4.295 1.00 0.00 H ATOM 996 N PRO A 150 25.039 3.900 -4.268 1.00 10.70 N ATOM 997 CA PRO A 150 26.064 4.933 -4.507 1.00 11.46 C ATOM 998 C PRO A 150 25.497 6.303 -4.843 1.00 10.83 C ATOM 999 O PRO A 150 25.941 7.308 -4.267 1.00 11.48 O ATOM 1000 CB PRO A 150 26.908 4.330 -5.636 1.00 12.80 C ATOM 1001 CG PRO A 150 26.730 2.855 -5.455 1.00 13.80 C ATOM 1002 CD PRO A 150 25.306 2.682 -5.055 1.00 13.12 C ATOM 1003 N GLN A 151 24.522 6.378 -5.757 1.00 10.76 N ATOM 1004 CA GLN A 151 23.968 7.677 -6.124 1.00 10.60 C ATOM 1005 C GLN A 151 23.200 8.320 -4.982 1.00 10.88 C ATOM 1006 O GLN A 151 23.057 9.550 -4.960 1.00 12.89 O ATOM 1007 CB GLN A 151 23.093 7.577 -7.380 1.00 11.10 C ATOM 1008 CG GLN A 151 21.724 6.934 -7.155 1.00 12.45 C ATOM 1009 CD GLN A 151 21.106 6.405 -8.443 1.00 15.68 C ATOM 1010 OE1 GLN A 151 21.606 5.454 -9.045 1.00 18.00 O ATOM 1011 NE2 GLN A 151 20.011 7.017 -8.866 1.00 16.45 N ATOM 1012 HE22 GLN A 151 19.621 7.817 -8.327 1.00 0.00 H ATOM 1013 HE21 GLN A 151 19.540 6.698 -9.737 1.00 0.00 H ATOM 1014 H GLN A 151 24.160 5.512 -6.205 1.00 0.00 H ATOM 1015 N GLU A 152 22.714 7.528 -4.029 1.00 9.56 N ATOM 1016 CA GLU A 152 22.033 8.084 -2.867 1.00 9.39 C ATOM 1017 C GLU A 152 22.993 8.468 -1.751 1.00 9.83 C ATOM 1018 O GLU A 152 22.542 8.946 -0.699 1.00 10.64 O ATOM 1019 CB GLU A 152 20.985 7.097 -2.342 1.00 9.69 C ATOM 1020 CG GLU A 152 19.916 6.730 -3.361 1.00 11.37 C ATOM 1021 CD GLU A 152 19.084 7.930 -3.788 1.00 13.47 C ATOM 1022 OE1 GLU A 152 18.881 8.848 -2.962 1.00 14.75 O ATOM 1023 OE2 GLU A 152 18.623 7.950 -4.947 1.00 15.50 O ATOM 1024 H GLU A 152 22.822 6.497 -4.115 1.00 0.00 H ATOM 1025 N GLY A 153 24.298 8.269 -1.948 1.00 9.80 N ATOM 1026 CA GLY A 153 25.257 8.537 -0.899 1.00 10.15 C ATOM 1027 C GLY A 153 25.397 7.421 0.108 1.00 9.41 C ATOM 1028 O GLY A 153 25.998 7.635 1.169 1.00 10.27 O ATOM 1029 H GLY A 153 24.630 7.916 -2.868 1.00 0.00 H ATOM 1030 N MET A 154 24.870 6.238 -0.192 1.00 9.15 N ATOM 1031 CA MET A 154 24.902 5.095 0.704 1.00 9.11 C ATOM 1032 C MET A 154 25.976 4.103 0.272 1.00 9.26 C ATOM 1033 O MET A 154 26.384 4.051 -0.893 1.00 10.93 O ATOM 1034 CB MET A 154 23.550 4.371 0.687 1.00 9.60 C ATOM 1035 CG MET A 154 22.358 5.196 1.116 1.00 10.34 C ATOM 1036 SD MET A 154 22.466 5.719 2.832 1.00 10.77 S ATOM 1037 CE MET A 154 22.759 7.470 2.644 1.00 9.33 C ATOM 1038 H MET A 154 24.410 6.125 -1.118 1.00 0.00 H ATOM 1039 N VAL A 155 26.413 3.301 1.232 1.00 8.77 N ATOM 1040 CA VAL A 155 27.236 2.126 0.959 1.00 9.49 C ATOM 1041 C VAL A 155 26.305 0.933 0.759 1.00 9.30 C ATOM 1042 O VAL A 155 25.384 0.711 1.556 1.00 10.59 O ATOM 1043 CB VAL A 155 28.222 1.877 2.112 1.00 11.79 C ATOM 1044 CG1 VAL A 155 29.001 0.567 1.905 1.00 12.74 C ATOM 1045 CG2 VAL A 155 29.157 3.079 2.268 1.00 12.43 C ATOM 1046 H VAL A 155 26.160 3.517 2.218 1.00 0.00 H ATOM 1047 N ALA A 156 26.533 0.167 -0.306 1.00 9.04 N ATOM 1048 CA ALA A 156 25.674 -0.976 -0.583 1.00 9.26 C ATOM 1049 C ALA A 156 25.853 -2.070 0.469 1.00 9.53 C ATOM 1050 O ALA A 156 26.913 -2.203 1.097 1.00 9.82 O ATOM 1051 CB ALA A 156 25.986 -1.553 -1.967 1.00 10.43 C ATOM 1052 H ALA A 156 27.327 0.385 -0.942 1.00 0.00 H ATOM 1053 N ALA A 157 24.796 -2.858 0.659 1.00 9.07 N ATOM 1054 CA ALA A 157 24.923 -4.077 1.446 1.00 8.42 C ATOM 1055 C ALA A 157 25.765 -5.100 0.685 1.00 8.64 C ATOM 1056 O ALA A 157 25.985 -4.988 -0.523 1.00 10.13 O ATOM 1057 CB ALA A 157 23.549 -4.680 1.750 1.00 8.93 C ATOM 1058 H ALA A 157 23.877 -2.602 0.244 1.00 0.00 H ATOM 1059 N GLN A 158 26.252 -6.101 1.419 1.00 8.13 N ATOM 1060 CA GLN A 158 27.116 -7.114 0.819 1.00 9.23 C ATOM 1061 C GLN A 158 26.346 -8.071 -0.080 1.00 9.54 C ATOM 1062 O GLN A 158 26.917 -8.626 -1.027 1.00 12.31 O ATOM 1063 CB GLN A 158 27.809 -7.907 1.921 1.00 12.66 C ATOM 1064 CG GLN A 158 28.788 -7.098 2.735 1.00 17.12 C ATOM 1065 CD GLN A 158 29.241 -7.837 3.973 1.00 20.86 C ATOM 1066 OE1 GLN A 158 28.542 -8.727 4.465 1.00 22.41 O ATOM 1067 NE2 GLN A 158 30.410 -7.465 4.495 1.00 22.30 N ATOM 1068 HE22 GLN A 158 30.964 -6.709 4.044 1.00 0.00 H ATOM 1069 HE21 GLN A 158 30.768 -7.931 5.353 1.00 0.00 H ATOM 1070 H GLN A 158 26.014 -6.161 2.430 1.00 0.00 H ATOM 1071 N HIS A 159 25.064 -8.289 0.201 1.00 7.55 N ATOM 1072 CA HIS A 159 24.273 -9.291 -0.492 1.00 8.12 C ATOM 1073 C HIS A 159 22.976 -8.671 -0.993 1.00 8.14 C ATOM 1074 O HIS A 159 22.393 -7.796 -0.339 1.00 8.17 O ATOM 1075 CB HIS A 159 23.949 -10.454 0.444 1.00 9.35 C ATOM 1076 CG HIS A 159 25.156 -11.070 1.083 1.00 10.79 C ATOM 1077 ND1 HIS A 159 26.053 -11.852 0.387 1.00 12.43 N ATOM 1078 CD2 HIS A 159 25.618 -11.011 2.355 1.00 12.37 C ATOM 1079 CE1 HIS A 159 27.010 -12.254 1.206 1.00 12.86 C ATOM 1080 NE2 HIS A 159 26.771 -11.755 2.406 1.00 13.45 N ATOM 1081 H HIS A 159 24.611 -7.721 0.945 1.00 0.00 H ATOM 1082 N SER A 160 22.516 -9.146 -2.150 1.00 8.92 N ATOM 1083 CA SER A 160 21.315 -8.629 -2.795 1.00 9.74 C ATOM 1084 C SER A 160 20.177 -9.630 -2.667 1.00 9.54 C ATOM 1085 O SER A 160 20.337 -10.815 -2.990 1.00 10.47 O ATOM 1086 CB SER A 160 21.563 -8.318 -4.273 1.00 9.72 C ATOM 1087 OG SER A 160 22.412 -7.194 -4.417 1.00 10.78 O ATOM 1088 HG SER A 160 23.281 -7.380 -3.980 1.00 0.00 H ATOM 1089 H SER A 160 23.036 -9.919 -2.613 1.00 0.00 H ATOM 1090 N LEU A 161 19.027 -9.145 -2.215 1.00 8.98 N ATOM 1091 CA LEU A 161 17.798 -9.921 -2.219 1.00 9.39 C ATOM 1092 C LEU A 161 17.093 -9.736 -3.554 1.00 10.03 C ATOM 1093 O LEU A 161 17.041 -8.632 -4.100 1.00 10.59 O ATOM 1094 CB LEU A 161 16.874 -9.442 -1.096 1.00 8.28 C ATOM 1095 CG LEU A 161 17.467 -9.463 0.315 1.00 9.11 C ATOM 1096 CD1 LEU A 161 16.437 -8.915 1.305 1.00 11.52 C ATOM 1097 CD2 LEU A 161 17.867 -10.875 0.676 1.00 9.96 C ATOM 1098 H LEU A 161 19.005 -8.174 -1.844 1.00 0.00 H ATOM 1099 N THR A 162 16.558 -10.821 -4.089 1.00 9.06 N ATOM 1100 CA THR A 162 15.704 -10.731 -5.257 1.00 10.60 C ATOM 1101 C THR A 162 14.335 -11.284 -4.884 1.00 10.06 C ATOM 1102 O THR A 162 14.183 -12.006 -3.887 1.00 10.45 O ATOM 1103 CB THR A 162 16.309 -11.440 -6.478 1.00 11.28 C ATOM 1104 OG1 THR A 162 16.422 -12.840 -6.213 1.00 12.60 O ATOM 1105 CG2 THR A 162 17.686 -10.875 -6.805 1.00 12.97 C ATOM 1106 HG1 THR A 162 16.812 -13.294 -7.002 1.00 0.00 H ATOM 1107 H THR A 162 16.753 -11.751 -3.666 1.00 0.00 H ATOM 1108 N PHE A 163 13.336 -10.930 -5.685 1.00 11.81 N ATOM 1109 CA PHE A 163 11.950 -11.151 -5.307 1.00 11.48 C ATOM 1110 C PHE A 163 11.185 -11.813 -6.438 1.00 14.17 C ATOM 1111 O PHE A 163 11.405 -11.517 -7.615 1.00 15.27 O ATOM 1112 CB PHE A 163 11.293 -9.828 -4.885 1.00 12.32 C ATOM 1113 CG PHE A 163 11.913 -9.239 -3.655 1.00 11.17 C ATOM 1114 CD1 PHE A 163 13.013 -8.395 -3.752 1.00 11.73 C ATOM 1115 CD2 PHE A 163 11.441 -9.575 -2.400 1.00 11.08 C ATOM 1116 CE1 PHE A 163 13.615 -7.882 -2.621 1.00 12.57 C ATOM 1117 CE2 PHE A 163 12.045 -9.064 -1.257 1.00 11.18 C ATOM 1118 CZ PHE A 163 13.133 -8.213 -1.372 1.00 11.39 C ATOM 1119 H PHE A 163 13.550 -10.486 -6.601 1.00 0.00 H ATOM 1120 N ALA A 164 10.298 -12.726 -6.064 1.00 14.28 N ATOM 1121 CA ALA A 164 9.394 -13.340 -7.015 1.00 15.40 C ATOM 1122 C ALA A 164 8.379 -12.309 -7.503 1.00 16.35 C ATOM 1123 O ALA A 164 8.212 -11.235 -6.917 1.00 15.39 O ATOM 1124 CB ALA A 164 8.678 -14.510 -6.351 1.00 16.68 C ATOM 1125 H ALA A 164 10.251 -13.008 -5.064 1.00 0.00 H ATOM 1126 N ALA A 165 7.691 -12.648 -8.595 1.00 18.86 N ATOM 1127 CA ALA A 165 6.702 -11.731 -9.154 1.00 20.43 C ATOM 1128 C ALA A 165 5.633 -11.358 -8.135 1.00 21.00 C ATOM 1129 O ALA A 165 5.108 -10.238 -8.170 1.00 22.69 O ATOM 1130 CB ALA A 165 6.067 -12.335 -10.411 1.00 21.01 C ATOM 1131 H ALA A 165 7.860 -13.568 -9.049 1.00 0.00 H ATOM 1132 N ASN A 166 5.303 -12.267 -7.218 1.00 19.64 N ATOM 1133 CA ASN A 166 4.282 -12.001 -6.212 1.00 18.93 C ATOM 1134 C ASN A 166 4.796 -11.225 -5.001 1.00 17.70 C ATOM 1135 O ASN A 166 4.021 -10.983 -4.070 1.00 17.77 O ATOM 1136 CB ASN A 166 3.590 -13.298 -5.774 1.00 19.09 C ATOM 1137 CG ASN A 166 4.515 -14.253 -5.025 1.00 19.43 C ATOM 1138 OD1 ASN A 166 5.664 -13.928 -4.695 1.00 18.90 O ATOM 1139 ND2 ASN A 166 4.005 -15.444 -4.745 1.00 20.35 N ATOM 1140 HD22 ASN A 166 3.035 -15.677 -5.040 1.00 0.00 H ATOM 1141 HD21 ASN A 166 4.574 -16.146 -4.230 1.00 0.00 H ATOM 1142 H ASN A 166 5.785 -13.188 -7.220 1.00 0.00 H ATOM 1143 N GLY A 167 6.068 -10.837 -4.976 1.00 15.60 N ATOM 1144 CA GLY A 167 6.600 -10.005 -3.921 1.00 13.88 C ATOM 1145 C GLY A 167 7.425 -10.728 -2.870 1.00 12.42 C ATOM 1146 O GLY A 167 8.219 -10.081 -2.179 1.00 12.67 O ATOM 1147 H GLY A 167 6.701 -11.143 -5.742 1.00 0.00 H ATOM 1148 N TRP A 168 7.257 -12.038 -2.705 1.00 12.72 N ATOM 1149 CA TRP A 168 8.011 -12.722 -1.663 1.00 12.57 C ATOM 1150 C TRP A 168 9.474 -12.877 -2.075 1.00 11.62 C ATOM 1151 O TRP A 168 9.787 -13.135 -3.241 1.00 13.04 O ATOM 1152 CB TRP A 168 7.385 -14.081 -1.346 1.00 14.12 C ATOM 1153 CG TRP A 168 6.113 -13.935 -0.559 1.00 15.19 C ATOM 1154 CD1 TRP A 168 4.844 -14.197 -0.990 1.00 17.71 C ATOM 1155 CD2 TRP A 168 5.988 -13.457 0.790 1.00 16.50 C ATOM 1156 NE1 TRP A 168 3.940 -13.920 0.008 1.00 18.13 N ATOM 1157 CE2 TRP A 168 4.617 -13.470 1.112 1.00 18.26 C ATOM 1158 CE3 TRP A 168 6.905 -13.026 1.757 1.00 17.97 C ATOM 1159 CZ2 TRP A 168 4.137 -13.064 2.359 1.00 19.47 C ATOM 1160 CZ3 TRP A 168 6.429 -12.622 2.995 1.00 19.21 C ATOM 1161 CH2 TRP A 168 5.056 -12.644 3.284 1.00 19.30 C ATOM 1162 HE1 TRP A 168 2.909 -14.034 -0.063 1.00 0.00 H ATOM 1163 H TRP A 168 6.597 -12.566 -3.311 1.00 0.00 H ATOM 1164 N VAL A 169 10.378 -12.695 -1.107 1.00 10.83 N ATOM 1165 CA VAL A 169 11.800 -12.845 -1.385 1.00 9.87 C ATOM 1166 C VAL A 169 12.082 -14.241 -1.929 1.00 10.98 C ATOM 1167 O VAL A 169 11.447 -15.229 -1.532 1.00 12.02 O ATOM 1168 CB VAL A 169 12.618 -12.529 -0.119 1.00 10.06 C ATOM 1169 CG1 VAL A 169 12.454 -13.617 0.955 1.00 10.95 C ATOM 1170 CG2 VAL A 169 14.075 -12.315 -0.456 1.00 9.36 C ATOM 1171 H VAL A 169 10.063 -12.444 -0.148 1.00 0.00 H ATOM 1172 N GLU A 170 13.027 -14.322 -2.863 1.00 9.99 N ATOM 1173 CA GLU A 170 13.498 -15.615 -3.336 1.00 12.55 C ATOM 1174 C GLU A 170 14.359 -16.213 -2.237 1.00 11.65 C ATOM 1175 O GLU A 170 15.370 -15.609 -1.854 1.00 11.08 O ATOM 1176 CB GLU A 170 14.247 -15.432 -4.649 1.00 16.46 C ATOM 1177 CG GLU A 170 13.392 -14.613 -5.620 1.00 22.47 C ATOM 1178 CD GLU A 170 13.698 -14.848 -7.072 1.00 27.51 C ATOM 1179 OE1 GLU A 170 12.963 -15.627 -7.716 1.00 30.06 O ATOM 1180 OE2 GLU A 170 14.658 -14.227 -7.574 1.00 28.27 O ATOM 1181 H GLU A 170 13.434 -13.451 -3.259 1.00 0.00 H ATOM 1182 N PRO A 171 13.974 -17.359 -1.672 1.00 13.18 N ATOM 1183 CA PRO A 171 14.594 -17.808 -0.415 1.00 13.60 C ATOM 1184 C PRO A 171 16.091 -18.037 -0.499 1.00 11.67 C ATOM 1185 O PRO A 171 16.783 -17.857 0.508 1.00 10.94 O ATOM 1186 CB PRO A 171 13.822 -19.091 -0.073 1.00 16.85 C ATOM 1187 CG PRO A 171 13.105 -19.470 -1.330 1.00 18.27 C ATOM 1188 CD PRO A 171 12.828 -18.198 -2.057 1.00 15.53 C ATOM 1189 N ALA A 172 16.619 -18.420 -1.663 1.00 10.49 N ATOM 1190 CA ALA A 172 18.059 -18.633 -1.768 1.00 10.44 C ATOM 1191 C ALA A 172 18.851 -17.353 -1.547 1.00 9.70 C ATOM 1192 O ALA A 172 20.042 -17.428 -1.215 1.00 9.87 O ATOM 1193 CB ALA A 172 18.422 -19.224 -3.132 1.00 11.72 C ATOM 1194 H ALA A 172 16.007 -18.566 -2.491 1.00 0.00 H ATOM 1195 N THR A 173 18.231 -16.183 -1.737 1.00 9.09 N ATOM 1196 CA THR A 173 18.927 -14.920 -1.517 1.00 8.32 C ATOM 1197 C THR A 173 18.850 -14.442 -0.079 1.00 8.93 C ATOM 1198 O THR A 173 19.560 -13.498 0.272 1.00 9.08 O ATOM 1199 CB THR A 173 18.426 -13.808 -2.464 1.00 9.62 C ATOM 1200 OG1 THR A 173 17.100 -13.407 -2.104 1.00 9.85 O ATOM 1201 CG2 THR A 173 18.460 -14.260 -3.918 1.00 10.03 C ATOM 1202 HG1 THR A 173 16.492 -14.185 -2.169 1.00 0.00 H ATOM 1203 H THR A 173 17.238 -16.174 -2.046 1.00 0.00 H ATOM 1204 N ALA A 174 18.036 -15.076 0.763 1.00 8.79 N ATOM 1205 CA ALA A 174 17.883 -14.680 2.161 1.00 8.64 C ATOM 1206 C ALA A 174 18.163 -15.870 3.074 1.00 9.42 C ATOM 1207 O ALA A 174 17.313 -16.260 3.885 1.00 10.41 O ATOM 1208 CB ALA A 174 16.497 -14.094 2.428 1.00 9.08 C ATOM 1209 H ALA A 174 17.487 -15.886 0.411 1.00 0.00 H ATOM 1210 N PRO A 175 19.356 -16.465 2.979 1.00 8.67 N ATOM 1211 CA PRO A 175 19.648 -17.641 3.810 1.00 9.69 C ATOM 1212 C PRO A 175 19.740 -17.251 5.274 1.00 8.52 C ATOM 1213 O PRO A 175 20.203 -16.160 5.622 1.00 8.78 O ATOM 1214 CB PRO A 175 21.011 -18.110 3.284 1.00 10.57 C ATOM 1215 CG PRO A 175 21.675 -16.829 2.845 1.00 9.16 C ATOM 1216 CD PRO A 175 20.551 -16.019 2.234 1.00 9.32 C ATOM 1217 N ASN A 176 19.285 -18.158 6.132 1.00 8.89 N ATOM 1218 CA ASN A 176 19.461 -18.040 7.579 1.00 8.69 C ATOM 1219 C ASN A 176 18.719 -16.849 8.168 1.00 9.21 C ATOM 1220 O ASN A 176 19.119 -16.312 9.209 1.00 10.19 O ATOM 1221 CB ASN A 176 20.940 -18.024 7.973 1.00 11.50 C ATOM 1222 CG ASN A 176 21.648 -19.278 7.540 1.00 14.72 C ATOM 1223 OD1 ASN A 176 21.267 -20.376 7.938 1.00 16.12 O ATOM 1224 ND2 ASN A 176 22.653 -19.132 6.687 1.00 16.96 N ATOM 1225 HD22 ASN A 176 22.939 -18.181 6.379 1.00 0.00 H ATOM 1226 HD21 ASN A 176 23.155 -19.969 6.326 1.00 0.00 H ATOM 1227 H ASN A 176 18.782 -18.988 5.758 1.00 0.00 H ATOM 1228 N PHE A 177 17.629 -16.438 7.517 1.00 8.83 N ATOM 1229 CA PHE A 177 16.839 -15.315 8.007 1.00 8.81 C ATOM 1230 C PHE A 177 15.927 -15.688 9.167 1.00 9.25 C ATOM 1231 O PHE A 177 15.284 -14.798 9.728 1.00 9.27 O ATOM 1232 CB PHE A 177 16.037 -14.665 6.873 1.00 9.15 C ATOM 1233 CG PHE A 177 16.748 -13.515 6.202 1.00 8.41 C ATOM 1234 CD1 PHE A 177 18.072 -13.633 5.814 1.00 8.38 C ATOM 1235 CD2 PHE A 177 16.094 -12.313 5.972 1.00 9.28 C ATOM 1236 CE1 PHE A 177 18.725 -12.575 5.196 1.00 8.18 C ATOM 1237 CE2 PHE A 177 16.750 -11.259 5.354 1.00 10.27 C ATOM 1238 CZ PHE A 177 18.062 -11.392 4.972 1.00 8.81 C ATOM 1239 H PHE A 177 17.338 -16.927 6.646 1.00 0.00 H ATOM 1240 N GLY A 178 15.868 -16.961 9.566 1.00 10.63 N ATOM 1241 CA GLY A 178 15.082 -17.348 10.712 1.00 11.27 C ATOM 1242 C GLY A 178 13.636 -16.907 10.591 1.00 11.52 C ATOM 1243 O GLY A 178 12.959 -17.181 9.597 1.00 13.22 O ATOM 1244 H GLY A 178 16.398 -17.686 9.041 1.00 0.00 H ATOM 1245 N PRO A 179 13.133 -16.193 11.600 1.00 11.26 N ATOM 1246 CA PRO A 179 11.731 -15.763 11.572 1.00 12.06 C ATOM 1247 C PRO A 179 11.451 -14.568 10.673 1.00 11.19 C ATOM 1248 O PRO A 179 10.285 -14.193 10.533 1.00 13.78 O ATOM 1249 CB PRO A 179 11.462 -15.410 13.040 1.00 13.96 C ATOM 1250 CG PRO A 179 12.788 -14.908 13.519 1.00 13.72 C ATOM 1251 CD PRO A 179 13.804 -15.806 12.855 1.00 12.65 C ATOM 1252 N LEU A 180 12.459 -13.950 10.065 1.00 10.51 N ATOM 1253 CA LEU A 180 12.231 -12.761 9.255 1.00 11.13 C ATOM 1254 C LEU A 180 11.679 -13.165 7.894 1.00 11.27 C ATOM 1255 O LEU A 180 12.313 -13.935 7.161 1.00 13.31 O ATOM 1256 CB LEU A 180 13.524 -11.976 9.074 1.00 11.30 C ATOM 1257 CG LEU A 180 14.230 -11.469 10.328 1.00 11.14 C ATOM 1258 CD1 LEU A 180 15.373 -10.549 9.923 1.00 10.91 C ATOM 1259 CD2 LEU A 180 13.262 -10.756 11.262 1.00 12.47 C ATOM 1260 H LEU A 180 13.425 -14.321 10.169 1.00 0.00 H ATOM 1261 N LYS A 181 10.500 -12.646 7.555 1.00 10.35 N ATOM 1262 CA LYS A 181 9.837 -12.925 6.283 1.00 10.65 C ATOM 1263 C LYS A 181 9.829 -11.633 5.479 1.00 10.46 C ATOM 1264 O LYS A 181 9.112 -10.687 5.825 1.00 11.58 O ATOM 1265 CB LYS A 181 8.413 -13.426 6.517 1.00 12.79 C ATOM 1266 CG LYS A 181 8.326 -14.708 7.342 1.00 14.73 C ATOM 1267 CD LYS A 181 6.879 -15.125 7.596 1.00 16.80 C ATOM 1268 CE LYS A 181 6.248 -15.755 6.364 1.00 18.51 C ATOM 1269 NZ LYS A 181 5.072 -16.606 6.706 1.00 20.11 N ATOM 1270 HZ1 LYS A 181 5.373 -17.371 7.343 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 4.350 -16.024 7.178 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 4.676 -17.014 5.835 1.00 0.00 H ATOM 1273 H LYS A 181 10.028 -12.010 8.229 1.00 0.00 H ATOM 1274 N VAL A 182 10.620 -11.593 4.408 1.00 10.36 N ATOM 1275 CA VAL A 182 10.860 -10.372 3.643 1.00 9.48 C ATOM 1276 C VAL A 182 9.943 -10.327 2.431 1.00 9.51 C ATOM 1277 O VAL A 182 9.869 -11.289 1.656 1.00 10.25 O ATOM 1278 CB VAL A 182 12.333 -10.261 3.221 1.00 9.06 C ATOM 1279 CG1 VAL A 182 12.572 -8.914 2.571 1.00 9.19 C ATOM 1280 CG2 VAL A 182 13.247 -10.442 4.426 1.00 10.63 C ATOM 1281 H VAL A 182 11.088 -12.470 4.103 1.00 0.00 H ATOM 1282 N PHE A 183 9.276 -9.192 2.241 1.00 9.00 N ATOM 1283 CA PHE A 183 8.259 -9.045 1.209 1.00 9.35 C ATOM 1284 C PHE A 183 8.429 -7.702 0.517 1.00 9.30 C ATOM 1285 O PHE A 183 8.534 -6.662 1.179 1.00 10.28 O ATOM 1286 CB PHE A 183 6.866 -9.135 1.848 1.00 11.42 C ATOM 1287 CG PHE A 183 5.726 -8.962 0.881 1.00 12.40 C ATOM 1288 CD1 PHE A 183 5.385 -9.974 -0.004 1.00 13.17 C ATOM 1289 CD2 PHE A 183 4.963 -7.801 0.885 1.00 13.45 C ATOM 1290 CE1 PHE A 183 4.328 -9.822 -0.886 1.00 14.55 C ATOM 1291 CE2 PHE A 183 3.898 -7.650 0.008 1.00 14.66 C ATOM 1292 CZ PHE A 183 3.585 -8.658 -0.875 1.00 15.25 C ATOM 1293 H PHE A 183 9.489 -8.378 2.853 1.00 0.00 H ATOM 1294 N TYR A 184 8.451 -7.726 -0.817 1.00 9.77 N ATOM 1295 CA TYR A 184 8.451 -6.505 -1.610 1.00 10.98 C ATOM 1296 C TYR A 184 7.011 -6.181 -1.988 1.00 12.01 C ATOM 1297 O TYR A 184 6.410 -6.920 -2.779 1.00 12.25 O ATOM 1298 CB TYR A 184 9.298 -6.679 -2.864 1.00 11.37 C ATOM 1299 CG TYR A 184 9.188 -5.503 -3.807 1.00 12.42 C ATOM 1300 CD1 TYR A 184 9.624 -4.240 -3.420 1.00 12.92 C ATOM 1301 CD2 TYR A 184 8.632 -5.644 -5.074 1.00 13.54 C ATOM 1302 CE1 TYR A 184 9.527 -3.155 -4.262 1.00 14.32 C ATOM 1303 CE2 TYR A 184 8.528 -4.546 -5.931 1.00 14.55 C ATOM 1304 CZ TYR A 184 8.982 -3.309 -5.512 1.00 15.39 C ATOM 1305 OH TYR A 184 8.889 -2.222 -6.348 1.00 15.87 O ATOM 1306 HH TYR A 184 9.258 -1.424 -5.892 1.00 0.00 H ATOM 1307 H TYR A 184 8.469 -8.644 -1.305 1.00 0.00 H ATOM 1308 N PRO A 185 6.415 -5.116 -1.455 1.00 11.62 N ATOM 1309 CA PRO A 185 4.981 -4.874 -1.670 1.00 12.29 C ATOM 1310 C PRO A 185 4.651 -4.112 -2.938 1.00 12.60 C ATOM 1311 O PRO A 185 3.461 -3.899 -3.211 1.00 13.91 O ATOM 1312 CB PRO A 185 4.619 -4.017 -0.451 1.00 12.82 C ATOM 1313 CG PRO A 185 5.864 -3.191 -0.205 1.00 13.19 C ATOM 1314 CD PRO A 185 7.025 -4.117 -0.550 1.00 11.59 C ATOM 1315 N GLY A 186 5.663 -3.685 -3.691 1.00 12.11 N ATOM 1316 CA GLY A 186 5.469 -2.784 -4.798 1.00 12.46 C ATOM 1317 C GLY A 186 6.043 -1.423 -4.465 1.00 13.36 C ATOM 1318 O GLY A 186 6.365 -1.124 -3.308 1.00 12.86 O ATOM 1319 H GLY A 186 6.625 -4.013 -3.473 1.00 0.00 H ATOM 1320 N PRO A 187 6.181 -0.568 -5.476 1.00 14.19 N ATOM 1321 CA PRO A 187 6.764 0.759 -5.239 1.00 14.15 C ATOM 1322 C PRO A 187 5.817 1.670 -4.467 1.00 13.05 C ATOM 1323 O PRO A 187 4.599 1.649 -4.659 1.00 13.13 O ATOM 1324 CB PRO A 187 7.043 1.283 -6.651 1.00 15.43 C ATOM 1325 CG PRO A 187 6.109 0.529 -7.532 1.00 17.43 C ATOM 1326 CD PRO A 187 5.894 -0.817 -6.899 1.00 15.96 C ATOM 1327 N GLY A 188 6.390 2.460 -3.563 1.00 12.54 N ATOM 1328 CA GLY A 188 5.589 3.323 -2.719 1.00 11.77 C ATOM 1329 C GLY A 188 6.374 4.511 -2.207 1.00 12.24 C ATOM 1330 O GLY A 188 6.588 5.476 -2.945 1.00 13.07 O ATOM 1331 H GLY A 188 7.425 2.458 -3.461 1.00 0.00 H ATOM 1332 N HIS A 189 6.812 4.453 -0.945 1.00 11.21 N ATOM 1333 CA HIS A 189 7.710 5.482 -0.429 1.00 10.87 C ATOM 1334 C HIS A 189 8.939 5.611 -1.321 1.00 11.76 C ATOM 1335 O HIS A 189 9.387 6.724 -1.618 1.00 11.42 O ATOM 1336 CB HIS A 189 8.114 5.149 1.008 1.00 10.56 C ATOM 1337 CG HIS A 189 9.274 5.956 1.507 1.00 10.11 C ATOM 1338 ND1 HIS A 189 9.155 7.284 1.864 1.00 10.06 N ATOM 1339 CD2 HIS A 189 10.580 5.635 1.678 1.00 9.48 C ATOM 1340 CE1 HIS A 189 10.334 7.740 2.251 1.00 9.40 C ATOM 1341 NE2 HIS A 189 11.214 6.757 2.158 1.00 8.89 N ATOM 1342 H HIS A 189 6.512 3.671 -0.328 1.00 0.00 H ATOM 1343 N THR A 190 9.492 4.479 -1.760 1.00 11.27 N ATOM 1344 CA THR A 190 10.478 4.434 -2.833 1.00 10.64 C ATOM 1345 C THR A 190 10.170 3.227 -3.710 1.00 12.09 C ATOM 1346 O THR A 190 9.364 2.360 -3.357 1.00 12.09 O ATOM 1347 CB THR A 190 11.915 4.279 -2.315 1.00 9.57 C ATOM 1348 OG1 THR A 190 12.012 3.058 -1.573 1.00 11.31 O ATOM 1349 CG2 THR A 190 12.330 5.443 -1.436 1.00 10.01 C ATOM 1350 HG1 THR A 190 12.936 2.951 -1.235 1.00 0.00 H ATOM 1351 H THR A 190 9.205 3.584 -1.315 1.00 0.00 H ATOM 1352 N SER A 191 10.844 3.159 -4.861 1.00 12.31 N ATOM 1353 CA SER A 191 10.652 2.010 -5.738 1.00 13.52 C ATOM 1354 C SER A 191 11.260 0.735 -5.173 1.00 12.08 C ATOM 1355 O SER A 191 10.849 -0.358 -5.577 1.00 12.65 O ATOM 1356 CB SER A 191 11.241 2.286 -7.119 1.00 16.14 C ATOM 1357 OG SER A 191 10.440 3.212 -7.822 1.00 19.97 O ATOM 1358 HG SER A 191 10.397 4.061 -7.315 1.00 0.00 H ATOM 1359 H SER A 191 11.501 3.919 -5.130 1.00 0.00 H ATOM 1360 N ASP A 192 12.231 0.848 -4.264 1.00 10.26 N ATOM 1361 CA ASP A 192 12.945 -0.304 -3.727 1.00 9.41 C ATOM 1362 C ASP A 192 12.476 -0.717 -2.339 1.00 9.53 C ATOM 1363 O ASP A 192 13.030 -1.672 -1.782 1.00 9.58 O ATOM 1364 CB ASP A 192 14.469 -0.058 -3.719 1.00 10.48 C ATOM 1365 CG ASP A 192 14.881 1.117 -2.835 1.00 10.41 C ATOM 1366 OD1 ASP A 192 14.175 2.147 -2.840 1.00 11.59 O ATOM 1367 OD2 ASP A 192 15.928 1.020 -2.153 1.00 9.04 O ATOM 1368 H ASP A 192 12.489 1.797 -3.925 1.00 0.00 H ATOM 1369 N ASN A 193 11.477 -0.041 -1.766 1.00 9.18 N ATOM 1370 CA ASN A 193 11.137 -0.308 -0.369 1.00 10.17 C ATOM 1371 C ASN A 193 10.702 -1.756 -0.153 1.00 8.70 C ATOM 1372 O ASN A 193 9.909 -2.306 -0.923 1.00 10.34 O ATOM 1373 CB ASN A 193 10.119 0.695 0.217 1.00 10.78 C ATOM 1374 CG ASN A 193 8.836 0.897 -0.623 1.00 10.61 C ATOM 1375 OD1 ASN A 193 8.210 1.955 -0.505 1.00 11.67 O ATOM 1376 ND2 ASN A 193 8.404 -0.104 -1.389 1.00 10.90 N ATOM 1377 HD22 ASN A 193 8.960 -0.980 -1.463 1.00 0.00 H ATOM 1378 HD21 ASN A 193 7.511 -0.009 -1.913 1.00 0.00 H ATOM 1379 H ASN A 193 10.945 0.669 -2.309 1.00 0.00 H ATOM 1380 N ILE A 194 11.234 -2.375 0.900 1.00 8.08 N ATOM 1381 CA ILE A 194 10.838 -3.725 1.277 1.00 8.15 C ATOM 1382 C ILE A 194 10.326 -3.724 2.718 1.00 8.25 C ATOM 1383 O ILE A 194 10.495 -2.759 3.465 1.00 8.27 O ATOM 1384 CB ILE A 194 11.956 -4.761 1.051 1.00 8.73 C ATOM 1385 CG1 ILE A 194 13.207 -4.402 1.863 1.00 7.45 C ATOM 1386 CG2 ILE A 194 12.276 -4.864 -0.443 1.00 8.74 C ATOM 1387 CD1 ILE A 194 14.209 -5.540 1.922 1.00 7.64 C ATOM 1388 H ILE A 194 11.951 -1.881 1.468 1.00 0.00 H ATOM 1389 N THR A 195 9.668 -4.819 3.093 1.00 8.23 N ATOM 1390 CA THR A 195 8.995 -4.921 4.382 1.00 9.13 C ATOM 1391 C THR A 195 9.315 -6.278 5.002 1.00 8.43 C ATOM 1392 O THR A 195 9.764 -7.201 4.318 1.00 8.35 O ATOM 1393 CB THR A 195 7.469 -4.750 4.228 1.00 9.31 C ATOM 1394 OG1 THR A 195 6.934 -5.836 3.453 1.00 9.63 O ATOM 1395 CG2 THR A 195 7.119 -3.417 3.539 1.00 9.20 C ATOM 1396 HG1 THR A 195 7.356 -5.840 2.557 1.00 0.00 H ATOM 1397 H THR A 195 9.633 -5.630 2.443 1.00 0.00 H ATOM 1398 N VAL A 196 9.099 -6.401 6.312 1.00 8.29 N ATOM 1399 CA VAL A 196 9.575 -7.582 7.033 1.00 8.97 C ATOM 1400 C VAL A 196 8.557 -7.984 8.089 1.00 9.72 C ATOM 1401 O VAL A 196 8.216 -7.182 8.963 1.00 10.93 O ATOM 1402 CB VAL A 196 10.942 -7.347 7.707 1.00 9.14 C ATOM 1403 CG1 VAL A 196 11.431 -8.638 8.370 1.00 10.89 C ATOM 1404 CG2 VAL A 196 11.983 -6.820 6.721 1.00 10.56 C ATOM 1405 H VAL A 196 8.589 -5.653 6.824 1.00 0.00 H ATOM 1406 N GLY A 197 8.102 -9.231 8.039 1.00 10.33 N ATOM 1407 CA GLY A 197 7.288 -9.800 9.097 1.00 10.70 C ATOM 1408 C GLY A 197 8.138 -10.674 9.999 1.00 11.33 C ATOM 1409 O GLY A 197 9.153 -11.217 9.571 1.00 11.92 O ATOM 1410 H GLY A 197 8.337 -9.819 7.214 1.00 0.00 H ATOM 1411 N ILE A 198 7.731 -10.796 11.261 1.00 11.99 N ATOM 1412 CA ILE A 198 8.465 -11.604 12.227 1.00 11.65 C ATOM 1413 C ILE A 198 7.592 -12.798 12.586 1.00 13.13 C ATOM 1414 O ILE A 198 6.640 -12.677 13.368 1.00 13.99 O ATOM 1415 CB ILE A 198 8.884 -10.813 13.467 1.00 13.47 C ATOM 1416 CG1 ILE A 198 9.652 -9.551 13.068 1.00 14.22 C ATOM 1417 CG2 ILE A 198 9.733 -11.697 14.371 1.00 14.59 C ATOM 1418 CD1 ILE A 198 10.064 -8.718 14.246 1.00 15.84 C ATOM 1419 H ILE A 198 6.868 -10.302 11.565 1.00 0.00 H ATOM 1420 N ASP A 199 7.914 -13.953 12.004 1.00 13.87 N ATOM 1421 CA ASP A 199 7.161 -15.170 12.267 1.00 17.37 C ATOM 1422 C ASP A 199 7.197 -15.487 13.755 1.00 19.44 C ATOM 1423 O ASP A 199 8.194 -15.230 14.439 1.00 20.81 O ATOM 1424 CB ASP A 199 7.782 -16.322 11.475 1.00 21.15 C ATOM 1425 CG ASP A 199 6.752 -17.320 10.968 1.00 27.02 C ATOM 1426 OD1 ASP A 199 5.542 -17.121 11.200 1.00 30.52 O ATOM 1427 OD2 ASP A 199 7.158 -18.317 10.334 1.00 29.27 O ATOM 1428 H ASP A 199 8.720 -13.985 11.348 1.00 0.00 H ATOM 1429 N GLY A 200 6.094 -16.032 14.262 1.00 20.33 N ATOM 1430 CA GLY A 200 5.977 -16.331 15.673 1.00 20.91 C ATOM 1431 C GLY A 200 5.604 -15.150 16.538 1.00 21.83 C ATOM 1432 O GLY A 200 5.532 -15.295 17.765 1.00 24.59 O ATOM 1433 H GLY A 200 5.297 -16.248 13.629 1.00 0.00 H ATOM 1434 N THR A 201 5.384 -13.985 15.945 1.00 19.67 N ATOM 1435 CA THR A 201 4.966 -12.797 16.664 1.00 18.51 C ATOM 1436 C THR A 201 3.800 -12.178 15.915 1.00 17.78 C ATOM 1437 O THR A 201 3.451 -12.594 14.807 1.00 18.67 O ATOM 1438 CB THR A 201 6.092 -11.755 16.759 1.00 17.68 C ATOM 1439 OG1 THR A 201 6.180 -11.023 15.528 1.00 16.30 O ATOM 1440 CG2 THR A 201 7.428 -12.409 17.066 1.00 19.01 C ATOM 1441 HG1 THR A 201 6.374 -11.649 14.786 1.00 0.00 H ATOM 1442 H THR A 201 5.517 -13.920 14.916 1.00 0.00 H ATOM 1443 N ASP A 202 3.214 -11.151 16.521 1.00 17.20 N ATOM 1444 CA ASP A 202 2.158 -10.380 15.882 1.00 17.13 C ATOM 1445 C ASP A 202 2.681 -9.116 15.197 1.00 14.89 C ATOM 1446 O ASP A 202 1.906 -8.186 14.970 1.00 15.22 O ATOM 1447 CB ASP A 202 1.031 -10.069 16.877 1.00 19.82 C ATOM 1448 CG ASP A 202 1.486 -9.217 18.065 1.00 22.78 C ATOM 1449 OD1 ASP A 202 2.640 -8.740 18.095 1.00 22.70 O ATOM 1450 OD2 ASP A 202 0.667 -9.021 18.992 1.00 25.98 O ATOM 1451 H ASP A 202 3.519 -10.890 17.480 1.00 0.00 H ATOM 1452 N ILE A 203 3.969 -9.080 14.847 1.00 13.31 N ATOM 1453 CA ILE A 203 4.662 -7.865 14.422 1.00 12.19 C ATOM 1454 C ILE A 203 4.998 -7.955 12.940 1.00 11.61 C ATOM 1455 O ILE A 203 5.515 -8.976 12.474 1.00 12.06 O ATOM 1456 CB ILE A 203 5.946 -7.643 15.243 1.00 12.22 C ATOM 1457 CG1 ILE A 203 5.605 -7.400 16.719 1.00 13.91 C ATOM 1458 CG2 ILE A 203 6.798 -6.512 14.629 1.00 12.97 C ATOM 1459 CD1 ILE A 203 6.806 -7.543 17.649 1.00 14.52 C ATOM 1460 H ILE A 203 4.510 -9.967 14.879 1.00 0.00 H ATOM 1461 N ALA A 204 4.728 -6.871 12.209 1.00 11.39 N ATOM 1462 CA ALA A 204 5.251 -6.661 10.866 1.00 10.98 C ATOM 1463 C ALA A 204 5.778 -5.235 10.748 1.00 10.40 C ATOM 1464 O ALA A 204 5.249 -4.306 11.368 1.00 11.78 O ATOM 1465 CB ALA A 204 4.195 -6.927 9.789 1.00 12.24 C ATOM 1466 H ALA A 204 4.113 -6.139 12.619 1.00 0.00 H ATOM 1467 N PHE A 205 6.830 -5.068 9.943 1.00 9.69 N ATOM 1468 CA PHE A 205 7.563 -3.809 9.825 1.00 9.27 C ATOM 1469 C PHE A 205 7.378 -3.237 8.423 1.00 8.73 C ATOM 1470 O PHE A 205 7.804 -3.848 7.432 1.00 9.45 O ATOM 1471 CB PHE A 205 9.046 -4.037 10.109 1.00 8.72 C ATOM 1472 CG PHE A 205 9.888 -2.788 10.024 1.00 8.67 C ATOM 1473 CD1 PHE A 205 9.803 -1.811 11.005 1.00 10.78 C ATOM 1474 CD2 PHE A 205 10.784 -2.605 8.976 1.00 9.44 C ATOM 1475 CE1 PHE A 205 10.593 -0.669 10.943 1.00 10.63 C ATOM 1476 CE2 PHE A 205 11.573 -1.470 8.905 1.00 9.40 C ATOM 1477 CZ PHE A 205 11.483 -0.504 9.897 1.00 9.25 C ATOM 1478 H PHE A 205 7.145 -5.877 9.370 1.00 0.00 H ATOM 1479 N GLY A 206 6.743 -2.071 8.340 1.00 9.67 N ATOM 1480 CA GLY A 206 6.498 -1.445 7.059 1.00 10.19 C ATOM 1481 C GLY A 206 7.531 -0.416 6.646 1.00 10.22 C ATOM 1482 O GLY A 206 7.473 0.103 5.528 1.00 11.95 O ATOM 1483 H GLY A 206 6.418 -1.602 9.209 1.00 0.00 H ATOM 1484 N GLY A 207 8.468 -0.095 7.536 1.00 10.24 N ATOM 1485 CA GLY A 207 9.509 0.862 7.181 1.00 9.60 C ATOM 1486 C GLY A 207 8.923 2.225 6.877 1.00 10.56 C ATOM 1487 O GLY A 207 8.001 2.703 7.549 1.00 11.87 O ATOM 1488 H GLY A 207 8.457 -0.526 8.482 1.00 0.00 H ATOM 1489 N CYS A 208 9.447 2.865 5.838 1.00 10.11 N ATOM 1490 CA CYS A 208 8.912 4.179 5.499 1.00 12.01 C ATOM 1491 C CYS A 208 7.664 4.120 4.628 1.00 10.70 C ATOM 1492 O CYS A 208 7.083 5.169 4.330 1.00 13.05 O ATOM 1493 CB CYS A 208 9.970 5.085 4.881 1.00 12.60 C ATOM 1494 SG CYS A 208 11.373 5.438 5.925 1.00 11.48 S ATOM 1495 H CYS A 208 10.217 2.441 5.282 1.00 0.00 H ATOM 1496 N LEU A 209 7.215 2.927 4.243 1.00 9.69 N ATOM 1497 CA LEU A 209 5.993 2.816 3.454 1.00 10.56 C ATOM 1498 C LEU A 209 4.765 3.203 4.271 1.00 11.10 C ATOM 1499 O LEU A 209 3.844 3.851 3.754 1.00 12.32 O ATOM 1500 CB LEU A 209 5.866 1.383 2.938 1.00 11.15 C ATOM 1501 CG LEU A 209 4.617 1.048 2.124 1.00 11.16 C ATOM 1502 CD1 LEU A 209 4.650 1.749 0.781 1.00 11.35 C ATOM 1503 CD2 LEU A 209 4.516 -0.455 1.942 1.00 11.53 C ATOM 1504 H LEU A 209 7.739 2.068 4.507 1.00 0.00 H ATOM 1505 N ILE A 210 4.727 2.810 5.542 1.00 12.64 N ATOM 1506 CA ILE A 210 3.532 2.920 6.372 1.00 12.08 C ATOM 1507 C ILE A 210 3.689 4.072 7.355 1.00 11.83 C ATOM 1508 O ILE A 210 4.748 4.240 7.972 1.00 12.01 O ATOM 1509 CB ILE A 210 3.251 1.596 7.109 1.00 12.35 C ATOM 1510 CG1 ILE A 210 3.106 0.438 6.107 1.00 12.06 C ATOM 1511 CG2 ILE A 210 2.024 1.730 7.984 1.00 14.05 C ATOM 1512 CD1 ILE A 210 1.926 0.581 5.148 1.00 12.48 C ATOM 1513 H ILE A 210 5.588 2.406 5.963 1.00 0.00 H ATOM 1514 N LYS A 211 2.628 4.865 7.494 1.00 12.80 N ATOM 1515 CA LYS A 211 2.527 5.921 8.492 1.00 13.73 C ATOM 1516 C LYS A 211 1.451 5.559 9.511 1.00 14.71 C ATOM 1517 O LYS A 211 0.587 4.714 9.258 1.00 15.17 O ATOM 1518 CB LYS A 211 2.156 7.257 7.840 1.00 14.03 C ATOM 1519 CG LYS A 211 2.880 7.546 6.546 1.00 14.54 C ATOM 1520 CD LYS A 211 4.390 7.584 6.743 1.00 15.38 C ATOM 1521 CE LYS A 211 5.095 7.629 5.396 1.00 16.19 C ATOM 1522 NZ LYS A 211 6.579 7.684 5.530 1.00 15.61 N ATOM 1523 HZ1 LYS A 211 6.847 8.537 6.061 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 6.912 6.840 6.038 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 7.010 7.713 4.584 1.00 0.00 H ATOM 1526 H LYS A 211 1.823 4.722 6.851 1.00 0.00 H ATOM 1527 N ASP A 212 1.485 6.225 10.665 1.00 14.61 N ATOM 1528 CA ASP A 212 0.580 5.827 11.735 1.00 16.02 C ATOM 1529 C ASP A 212 -0.854 6.246 11.413 1.00 15.29 C ATOM 1530 O ASP A 212 -1.110 7.041 10.505 1.00 14.64 O ATOM 1531 CB ASP A 212 1.044 6.370 13.087 1.00 19.50 C ATOM 1532 CG ASP A 212 0.854 7.873 13.214 1.00 21.45 C ATOM 1533 OD1 ASP A 212 -0.282 8.326 13.476 1.00 22.55 O ATOM 1534 OD2 ASP A 212 1.846 8.612 13.057 1.00 24.53 O ATOM 1535 H ASP A 212 2.147 7.016 10.799 1.00 0.00 H ATOM 1536 N SER A 213 -1.794 5.697 12.191 1.00 14.76 N ATOM 1537 CA SER A 213 -3.222 5.827 11.912 1.00 15.94 C ATOM 1538 C SER A 213 -3.751 7.246 12.072 1.00 17.72 C ATOM 1539 O SER A 213 -4.890 7.507 11.670 1.00 18.34 O ATOM 1540 CB SER A 213 -4.025 4.884 12.809 1.00 18.48 C ATOM 1541 OG SER A 213 -3.825 5.201 14.173 1.00 20.46 O ATOM 1542 HG SER A 213 -2.864 5.113 14.394 1.00 0.00 H ATOM 1543 H SER A 213 -1.496 5.156 13.028 1.00 0.00 H ATOM 1544 N LYS A 214 -2.973 8.159 12.654 1.00 19.15 N ATOM 1545 CA LYS A 214 -3.363 9.559 12.773 1.00 21.64 C ATOM 1546 C LYS A 214 -2.438 10.480 11.992 1.00 20.17 C ATOM 1547 O LYS A 214 -2.472 11.700 12.201 1.00 21.07 O ATOM 1548 CB LYS A 214 -3.420 9.985 14.245 1.00 24.30 C ATOM 1549 CG LYS A 214 -4.448 9.224 15.071 1.00 28.16 C ATOM 1550 CD LYS A 214 -5.826 9.858 14.963 1.00 31.53 C ATOM 1551 CE LYS A 214 -6.872 9.072 15.757 1.00 33.40 C ATOM 1552 NZ LYS A 214 -7.872 8.372 14.888 1.00 33.72 N ATOM 1553 HZ1 LYS A 214 -8.378 9.073 14.310 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 -7.379 7.699 14.267 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 -8.551 7.859 15.486 1.00 0.00 H ATOM 1556 H LYS A 214 -2.053 7.861 13.038 1.00 0.00 H ATOM 1557 N ALA A 215 -1.621 9.932 11.094 1.00 17.47 N ATOM 1558 CA ALA A 215 -0.649 10.741 10.374 1.00 16.37 C ATOM 1559 C ALA A 215 -1.353 11.739 9.468 1.00 17.24 C ATOM 1560 O ALA A 215 -2.381 11.429 8.860 1.00 16.50 O ATOM 1561 CB ALA A 215 0.263 9.847 9.534 1.00 16.87 C ATOM 1562 H ALA A 215 -1.679 8.911 10.905 1.00 0.00 H ATOM 1563 N LYS A 216 -0.788 12.943 9.380 1.00 18.81 N ATOM 1564 CA LYS A 216 -1.338 13.992 8.535 1.00 21.50 C ATOM 1565 C LYS A 216 -0.784 13.977 7.118 1.00 21.05 C ATOM 1566 O LYS A 216 -1.351 14.640 6.245 1.00 23.07 O ATOM 1567 CB LYS A 216 -1.100 15.369 9.166 1.00 25.00 C ATOM 1568 CG LYS A 216 -1.979 15.651 10.366 1.00 27.92 C ATOM 1569 CD LYS A 216 -1.651 17.004 10.987 1.00 30.57 C ATOM 1570 CE LYS A 216 -1.601 18.110 9.944 1.00 32.79 C ATOM 1571 NZ LYS A 216 -1.575 19.465 10.573 1.00 34.50 N ATOM 1572 HZ1 LYS A 216 -2.432 19.596 11.148 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 -0.734 19.548 11.179 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 -1.541 20.191 9.829 1.00 0.00 H ATOM 1575 H LYS A 216 0.072 13.138 9.932 1.00 0.00 H ATOM 1576 N SER A 217 0.297 13.246 6.858 1.00 18.80 N ATOM 1577 CA SER A 217 0.869 13.235 5.518 1.00 19.08 C ATOM 1578 C SER A 217 1.654 11.950 5.308 1.00 18.45 C ATOM 1579 O SER A 217 1.875 11.163 6.233 1.00 19.02 O ATOM 1580 CB SER A 217 1.777 14.443 5.276 1.00 19.80 C ATOM 1581 OG SER A 217 3.098 14.180 5.723 1.00 20.92 O ATOM 1582 HG SER A 217 3.666 14.974 5.556 1.00 0.00 H ATOM 1583 H SER A 217 0.735 12.681 7.613 1.00 0.00 H ATOM 1584 N LEU A 218 2.073 11.751 4.065 1.00 17.26 N ATOM 1585 CA LEU A 218 2.890 10.604 3.706 1.00 17.11 C ATOM 1586 C LEU A 218 4.379 10.903 3.783 1.00 16.73 C ATOM 1587 O LEU A 218 5.185 10.116 3.280 1.00 17.06 O ATOM 1588 CB LEU A 218 2.493 10.075 2.325 1.00 18.26 C ATOM 1589 CG LEU A 218 1.100 9.439 2.273 1.00 19.53 C ATOM 1590 CD1 LEU A 218 0.641 9.269 0.836 1.00 21.17 C ATOM 1591 CD2 LEU A 218 1.080 8.095 2.998 1.00 19.11 C ATOM 1592 H LEU A 218 1.809 12.435 3.327 1.00 0.00 H ATOM 1593 N GLY A 219 4.758 12.018 4.408 1.00 16.41 N ATOM 1594 CA GLY A 219 6.167 12.281 4.653 1.00 15.78 C ATOM 1595 C GLY A 219 6.914 12.661 3.390 1.00 15.72 C ATOM 1596 O GLY A 219 6.417 13.406 2.539 1.00 16.96 O ATOM 1597 H GLY A 219 4.042 12.704 4.722 1.00 0.00 H ATOM 1598 N ASN A 220 8.138 12.149 3.270 1.00 14.88 N ATOM 1599 CA ASN A 220 9.010 12.492 2.149 1.00 13.65 C ATOM 1600 C ASN A 220 8.631 11.661 0.931 1.00 14.08 C ATOM 1601 O ASN A 220 8.905 10.454 0.881 1.00 14.30 O ATOM 1602 CB ASN A 220 10.471 12.239 2.495 1.00 14.18 C ATOM 1603 CG ASN A 220 11.362 12.340 1.275 1.00 14.74 C ATOM 1604 OD1 ASN A 220 11.155 13.220 0.428 1.00 15.56 O ATOM 1605 ND2 ASN A 220 12.332 11.425 1.151 1.00 14.14 N ATOM 1606 HD22 ASN A 220 12.466 10.706 1.890 1.00 0.00 H ATOM 1607 HD21 ASN A 220 12.951 11.434 0.316 1.00 0.00 H ATOM 1608 H ASN A 220 8.482 11.487 3.994 1.00 0.00 H ATOM 1609 N LEU A 221 8.047 12.316 -0.071 1.00 13.94 N ATOM 1610 CA LEU A 221 7.661 11.673 -1.319 1.00 15.47 C ATOM 1611 C LEU A 221 8.649 11.945 -2.449 1.00 15.46 C ATOM 1612 O LEU A 221 8.326 11.687 -3.613 1.00 16.59 O ATOM 1613 CB LEU A 221 6.248 12.110 -1.734 1.00 16.64 C ATOM 1614 CG LEU A 221 5.086 11.717 -0.813 1.00 17.62 C ATOM 1615 CD1 LEU A 221 3.773 12.315 -1.310 1.00 17.77 C ATOM 1616 CD2 LEU A 221 4.969 10.199 -0.700 1.00 17.43 C ATOM 1617 H LEU A 221 7.858 13.332 0.043 1.00 0.00 H ATOM 1618 N GLY A 222 9.847 12.445 -2.132 1.00 15.52 N ATOM 1619 CA GLY A 222 10.789 12.826 -3.180 1.00 14.35 C ATOM 1620 C GLY A 222 11.175 11.695 -4.115 1.00 14.62 C ATOM 1621 O GLY A 222 11.431 11.923 -5.303 1.00 16.66 O ATOM 1622 H GLY A 222 10.110 12.563 -1.133 1.00 0.00 H ATOM 1623 N ASP A 223 11.237 10.468 -3.604 1.00 12.31 N ATOM 1624 CA ASP A 223 11.568 9.307 -4.423 1.00 12.36 C ATOM 1625 C ASP A 223 10.392 8.348 -4.548 1.00 12.10 C ATOM 1626 O ASP A 223 10.575 7.179 -4.918 1.00 12.13 O ATOM 1627 CB ASP A 223 12.809 8.597 -3.880 1.00 13.05 C ATOM 1628 CG ASP A 223 14.064 9.429 -4.042 1.00 13.87 C ATOM 1629 OD1 ASP A 223 14.314 9.901 -5.169 1.00 16.73 O ATOM 1630 OD2 ASP A 223 14.792 9.634 -3.053 1.00 13.78 O ATOM 1631 H ASP A 223 11.044 10.333 -2.591 1.00 0.00 H ATOM 1632 N ALA A 224 9.188 8.832 -4.265 1.00 12.43 N ATOM 1633 CA ALA A 224 8.015 7.983 -4.176 1.00 13.63 C ATOM 1634 C ALA A 224 7.421 7.700 -5.547 1.00 15.50 C ATOM 1635 O ALA A 224 7.605 8.448 -6.512 1.00 16.39 O ATOM 1636 CB ALA A 224 6.947 8.648 -3.311 1.00 13.63 C ATOM 1637 H ALA A 224 9.083 9.854 -4.102 1.00 0.00 H ATOM 1638 N ASP A 225 6.682 6.600 -5.606 1.00 16.08 N ATOM 1639 CA ASP A 225 5.848 6.220 -6.741 1.00 17.11 C ATOM 1640 C ASP A 225 4.409 6.499 -6.304 1.00 17.23 C ATOM 1641 O ASP A 225 3.757 5.660 -5.679 1.00 17.43 O ATOM 1642 CB ASP A 225 6.070 4.743 -7.068 1.00 17.72 C ATOM 1643 CG ASP A 225 5.313 4.294 -8.306 1.00 19.95 C ATOM 1644 OD1 ASP A 225 4.171 4.753 -8.508 1.00 20.23 O ATOM 1645 OD2 ASP A 225 5.855 3.472 -9.078 1.00 22.21 O ATOM 1646 H ASP A 225 6.698 5.963 -4.784 1.00 0.00 H ATOM 1647 N THR A 226 3.919 7.698 -6.633 1.00 18.99 N ATOM 1648 CA THR A 226 2.610 8.122 -6.140 1.00 21.45 C ATOM 1649 C THR A 226 1.467 7.328 -6.766 1.00 21.62 C ATOM 1650 O THR A 226 0.426 7.129 -6.122 1.00 22.69 O ATOM 1651 CB THR A 226 2.433 9.625 -6.361 1.00 23.13 C ATOM 1652 OG1 THR A 226 2.553 9.921 -7.758 1.00 23.96 O ATOM 1653 CG2 THR A 226 3.498 10.395 -5.581 1.00 23.32 C ATOM 1654 HG1 THR A 226 1.855 9.429 -8.259 1.00 0.00 H ATOM 1655 H THR A 226 4.472 8.333 -7.243 1.00 0.00 H ATOM 1656 N GLU A 227 1.639 6.868 -8.007 1.00 20.72 N ATOM 1657 CA GLU A 227 0.593 6.087 -8.666 1.00 23.28 C ATOM 1658 C GLU A 227 0.326 4.775 -7.933 1.00 21.42 C ATOM 1659 O GLU A 227 -0.831 4.364 -7.781 1.00 20.79 O ATOM 1660 CB GLU A 227 1.005 5.806 -10.113 1.00 27.55 C ATOM 1661 CG GLU A 227 0.291 4.627 -10.758 1.00 32.99 C ATOM 1662 CD GLU A 227 0.347 4.655 -12.275 1.00 37.21 C ATOM 1663 OE1 GLU A 227 -0.663 4.295 -12.918 1.00 39.09 O ATOM 1664 OE2 GLU A 227 1.406 5.032 -12.825 1.00 38.58 O ATOM 1665 H GLU A 227 2.527 7.067 -8.511 1.00 0.00 H ATOM 1666 N HIS A 228 1.380 4.102 -7.470 1.00 19.23 N ATOM 1667 CA HIS A 228 1.274 2.742 -6.952 1.00 19.48 C ATOM 1668 C HIS A 228 1.267 2.662 -5.430 1.00 15.91 C ATOM 1669 O HIS A 228 1.104 1.565 -4.886 1.00 15.41 O ATOM 1670 CB HIS A 228 2.404 1.868 -7.512 1.00 22.05 C ATOM 1671 CG HIS A 228 2.364 1.714 -9.000 1.00 24.13 C ATOM 1672 ND1 HIS A 228 3.245 2.362 -9.839 1.00 24.06 N ATOM 1673 CD2 HIS A 228 1.546 0.990 -9.799 1.00 25.39 C ATOM 1674 CE1 HIS A 228 2.971 2.043 -11.091 1.00 25.32 C ATOM 1675 NE2 HIS A 228 1.943 1.214 -11.095 1.00 26.55 N ATOM 1676 H HIS A 228 2.312 4.563 -7.478 1.00 0.00 H ATOM 1677 N TYR A 229 1.413 3.795 -4.738 1.00 14.98 N ATOM 1678 CA TYR A 229 1.598 3.791 -3.290 1.00 13.46 C ATOM 1679 C TYR A 229 0.464 3.067 -2.569 1.00 12.70 C ATOM 1680 O TYR A 229 0.709 2.198 -1.721 1.00 12.64 O ATOM 1681 CB TYR A 229 1.718 5.236 -2.799 1.00 14.80 C ATOM 1682 CG TYR A 229 2.441 5.412 -1.478 1.00 13.71 C ATOM 1683 CD1 TYR A 229 2.022 4.743 -0.329 1.00 14.58 C ATOM 1684 CD2 TYR A 229 3.525 6.276 -1.369 1.00 15.08 C ATOM 1685 CE1 TYR A 229 2.686 4.908 0.886 1.00 13.26 C ATOM 1686 CE2 TYR A 229 4.189 6.455 -0.161 1.00 12.87 C ATOM 1687 CZ TYR A 229 3.771 5.768 0.965 1.00 12.94 C ATOM 1688 OH TYR A 229 4.431 5.942 2.169 1.00 12.27 O ATOM 1689 HH TYR A 229 4.004 5.379 2.863 1.00 0.00 H ATOM 1690 H TYR A 229 1.394 4.704 -5.244 1.00 0.00 H ATOM 1691 N ALA A 230 -0.788 3.423 -2.879 1.00 12.14 N ATOM 1692 CA ALA A 230 -1.919 2.852 -2.151 1.00 14.29 C ATOM 1693 C ALA A 230 -1.949 1.336 -2.279 1.00 13.53 C ATOM 1694 O ALA A 230 -2.157 0.619 -1.291 1.00 14.73 O ATOM 1695 CB ALA A 230 -3.226 3.447 -2.668 1.00 15.05 C ATOM 1696 H ALA A 230 -0.957 4.109 -3.642 1.00 0.00 H ATOM 1697 N ALA A 231 -1.757 0.829 -3.496 1.00 14.57 N ATOM 1698 CA ALA A 231 -1.785 -0.615 -3.707 1.00 14.35 C ATOM 1699 C ALA A 231 -0.630 -1.300 -2.988 1.00 13.81 C ATOM 1700 O ALA A 231 -0.800 -2.391 -2.425 1.00 14.92 O ATOM 1701 CB ALA A 231 -1.749 -0.926 -5.203 1.00 15.59 C ATOM 1702 H ALA A 231 -1.586 1.466 -4.300 1.00 0.00 H ATOM 1703 N SER A 232 0.550 -0.667 -2.986 1.00 12.72 N ATOM 1704 CA SER A 232 1.700 -1.233 -2.288 1.00 12.84 C ATOM 1705 C SER A 232 1.465 -1.283 -0.784 1.00 12.64 C ATOM 1706 O SER A 232 1.811 -2.275 -0.131 1.00 12.45 O ATOM 1707 CB SER A 232 2.948 -0.419 -2.613 1.00 13.60 C ATOM 1708 OG SER A 232 3.236 -0.502 -3.998 1.00 15.71 O ATOM 1709 HG SER A 232 4.047 0.029 -4.198 1.00 0.00 H ATOM 1710 H SER A 232 0.648 0.239 -3.488 1.00 0.00 H ATOM 1711 N ALA A 233 0.883 -0.220 -0.218 1.00 13.16 N ATOM 1712 CA ALA A 233 0.507 -0.240 1.192 1.00 15.23 C ATOM 1713 C ALA A 233 -0.470 -1.374 1.483 1.00 14.25 C ATOM 1714 O ALA A 233 -0.312 -2.106 2.468 1.00 14.31 O ATOM 1715 CB ALA A 233 -0.085 1.112 1.597 1.00 14.98 C ATOM 1716 H ALA A 233 0.697 0.629 -0.788 1.00 0.00 H ATOM 1717 N ARG A 234 -1.494 -1.537 0.636 1.00 15.26 N ATOM 1718 CA ARG A 234 -2.469 -2.601 0.862 1.00 15.22 C ATOM 1719 C ARG A 234 -1.849 -3.978 0.683 1.00 14.98 C ATOM 1720 O ARG A 234 -2.202 -4.916 1.411 1.00 16.16 O ATOM 1721 CB ARG A 234 -3.680 -2.412 -0.053 1.00 16.34 C ATOM 1722 CG ARG A 234 -4.449 -1.140 0.280 1.00 17.06 C ATOM 1723 CD ARG A 234 -5.830 -1.073 -0.364 1.00 17.57 C ATOM 1724 NE ARG A 234 -6.584 0.021 0.243 1.00 18.23 N ATOM 1725 CZ ARG A 234 -6.757 1.216 -0.315 1.00 18.30 C ATOM 1726 NH1 ARG A 234 -6.258 1.479 -1.519 1.00 17.70 N ATOM 1727 NH2 ARG A 234 -7.433 2.152 0.334 1.00 17.94 N ATOM 1728 HE ARG A 234 -7.015 -0.146 1.175 1.00 0.00 H ATOM 1729 HH12 ARG A 234 -6.399 2.416 -1.947 1.00 0.00 H ATOM 1730 HH11 ARG A 234 -5.727 0.747 -2.033 1.00 0.00 H ATOM 1731 HH22 ARG A 234 -7.571 3.088 -0.098 1.00 0.00 H ATOM 1732 HH21 ARG A 234 -7.826 1.951 1.276 1.00 0.00 H ATOM 1733 H ARG A 234 -1.595 -0.905 -0.184 1.00 0.00 H ATOM 1734 N ALA A 235 -0.897 -4.110 -0.246 1.00 13.86 N ATOM 1735 CA ALA A 235 -0.230 -5.395 -0.440 1.00 14.06 C ATOM 1736 C ALA A 235 0.592 -5.789 0.782 1.00 13.04 C ATOM 1737 O ALA A 235 0.654 -6.973 1.138 1.00 13.99 O ATOM 1738 CB ALA A 235 0.643 -5.361 -1.696 1.00 14.48 C ATOM 1739 H ALA A 235 -0.630 -3.294 -0.833 1.00 0.00 H ATOM 1740 N PHE A 236 1.243 -4.816 1.431 1.00 12.09 N ATOM 1741 CA PHE A 236 1.922 -5.094 2.692 1.00 11.83 C ATOM 1742 C PHE A 236 0.956 -5.690 3.713 1.00 12.66 C ATOM 1743 O PHE A 236 1.256 -6.707 4.348 1.00 12.27 O ATOM 1744 CB PHE A 236 2.569 -3.812 3.225 1.00 11.49 C ATOM 1745 CG PHE A 236 2.971 -3.882 4.670 1.00 10.65 C ATOM 1746 CD1 PHE A 236 4.049 -4.655 5.064 1.00 11.25 C ATOM 1747 CD2 PHE A 236 2.271 -3.174 5.631 1.00 12.01 C ATOM 1748 CE1 PHE A 236 4.437 -4.713 6.392 1.00 10.93 C ATOM 1749 CE2 PHE A 236 2.646 -3.221 6.965 1.00 11.54 C ATOM 1750 CZ PHE A 236 3.729 -3.992 7.351 1.00 10.78 C ATOM 1751 H PHE A 236 1.265 -3.855 1.034 1.00 0.00 H ATOM 1752 N GLY A 237 -0.214 -5.066 3.888 1.00 13.70 N ATOM 1753 CA GLY A 237 -1.180 -5.597 4.840 1.00 13.95 C ATOM 1754 C GLY A 237 -1.626 -7.006 4.501 1.00 13.61 C ATOM 1755 O GLY A 237 -1.763 -7.856 5.387 1.00 14.67 O ATOM 1756 H GLY A 237 -0.433 -4.205 3.347 1.00 0.00 H ATOM 1757 N ALA A 238 -1.849 -7.277 3.213 1.00 14.06 N ATOM 1758 CA ALA A 238 -2.331 -8.591 2.800 1.00 14.71 C ATOM 1759 C ALA A 238 -1.253 -9.656 2.933 1.00 15.61 C ATOM 1760 O ALA A 238 -1.573 -10.842 3.087 1.00 16.64 O ATOM 1761 CB ALA A 238 -2.847 -8.529 1.361 1.00 15.24 C ATOM 1762 H ALA A 238 -1.677 -6.544 2.496 1.00 0.00 H ATOM 1763 N ALA A 239 0.023 -9.257 2.871 1.00 15.30 N ATOM 1764 CA ALA A 239 1.113 -10.215 3.005 1.00 14.57 C ATOM 1765 C ALA A 239 1.264 -10.691 4.439 1.00 14.96 C ATOM 1766 O ALA A 239 1.729 -11.813 4.673 1.00 15.93 O ATOM 1767 CB ALA A 239 2.423 -9.587 2.533 1.00 13.70 C ATOM 1768 H ALA A 239 0.239 -8.250 2.725 1.00 0.00 H ATOM 1769 N PHE A 240 0.885 -9.859 5.407 1.00 13.71 N ATOM 1770 CA PHE A 240 1.039 -10.172 6.828 1.00 14.32 C ATOM 1771 C PHE A 240 -0.301 -10.022 7.539 1.00 15.54 C ATOM 1772 O PHE A 240 -0.472 -9.150 8.400 1.00 15.99 O ATOM 1773 CB PHE A 240 2.118 -9.282 7.451 1.00 14.00 C ATOM 1774 CG PHE A 240 3.449 -9.354 6.736 1.00 13.21 C ATOM 1775 CD1 PHE A 240 4.233 -10.490 6.828 1.00 14.02 C ATOM 1776 CD2 PHE A 240 3.906 -8.295 5.967 1.00 12.64 C ATOM 1777 CE1 PHE A 240 5.454 -10.567 6.177 1.00 13.39 C ATOM 1778 CE2 PHE A 240 5.134 -8.365 5.313 1.00 12.31 C ATOM 1779 CZ PHE A 240 5.904 -9.502 5.422 1.00 13.06 C ATOM 1780 H PHE A 240 0.461 -8.947 5.142 1.00 0.00 H ATOM 1781 N PRO A 241 -1.278 -10.871 7.207 1.00 17.19 N ATOM 1782 CA PRO A 241 -2.626 -10.682 7.772 1.00 19.53 C ATOM 1783 C PRO A 241 -2.699 -10.901 9.273 1.00 22.64 C ATOM 1784 O PRO A 241 -3.600 -10.352 9.920 1.00 25.06 O ATOM 1785 CB PRO A 241 -3.482 -11.701 7.004 1.00 19.66 C ATOM 1786 CG PRO A 241 -2.506 -12.746 6.539 1.00 18.28 C ATOM 1787 CD PRO A 241 -1.216 -12.007 6.268 1.00 16.99 C ATOM 1788 N LYS A 242 -1.791 -11.688 9.848 1.00 25.18 N ATOM 1789 CA LYS A 242 -1.822 -11.958 11.280 1.00 27.35 C ATOM 1790 C LYS A 242 -1.135 -10.883 12.112 1.00 25.48 C ATOM 1791 O LYS A 242 -1.188 -10.952 13.345 1.00 28.49 O ATOM 1792 CB LYS A 242 -1.175 -13.313 11.578 1.00 30.55 C ATOM 1793 CG LYS A 242 -1.827 -14.488 10.863 1.00 33.98 C ATOM 1794 CD LYS A 242 -1.411 -15.814 11.488 1.00 36.64 C ATOM 1795 CE LYS A 242 -1.947 -17.003 10.698 1.00 38.28 C ATOM 1796 NZ LYS A 242 -3.426 -17.173 10.841 1.00 39.57 N ATOM 1797 HZ1 LYS A 242 -3.661 -17.324 11.843 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 -3.907 -16.318 10.496 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 -3.735 -17.995 10.284 1.00 0.00 H ATOM 1800 H LYS A 242 -1.046 -12.118 9.264 1.00 0.00 H ATOM 1801 N ALA A 243 -0.500 -9.897 11.484 1.00 20.79 N ATOM 1802 CA ALA A 243 0.261 -8.891 12.218 1.00 18.10 C ATOM 1803 C ALA A 243 -0.689 -7.844 12.785 1.00 18.02 C ATOM 1804 O ALA A 243 -1.270 -7.050 12.040 1.00 19.50 O ATOM 1805 CB ALA A 243 1.290 -8.248 11.295 1.00 16.14 C ATOM 1806 H ALA A 243 -0.547 -9.842 10.447 1.00 0.00 H ATOM 1807 N SER A 244 -0.834 -7.827 14.108 1.00 15.90 N ATOM 1808 CA SER A 244 -1.660 -6.829 14.766 1.00 16.18 C ATOM 1809 C SER A 244 -0.862 -5.622 15.234 1.00 15.22 C ATOM 1810 O SER A 244 -1.454 -4.569 15.501 1.00 16.67 O ATOM 1811 CB SER A 244 -2.382 -7.459 15.958 1.00 17.24 C ATOM 1812 OG SER A 244 -1.451 -8.015 16.868 1.00 19.52 O ATOM 1813 HG SER A 244 -1.937 -8.417 17.631 1.00 0.00 H ATOM 1814 H SER A 244 -0.346 -8.543 14.683 1.00 0.00 H ATOM 1815 N MET A 245 0.460 -5.746 15.338 1.00 14.07 N ATOM 1816 CA MET A 245 1.334 -4.634 15.693 1.00 13.95 C ATOM 1817 C MET A 245 2.133 -4.245 14.456 1.00 13.23 C ATOM 1818 O MET A 245 2.960 -5.026 13.974 1.00 13.05 O ATOM 1819 CB MET A 245 2.272 -5.015 16.834 1.00 14.99 C ATOM 1820 CG MET A 245 3.068 -3.831 17.337 1.00 16.00 C ATOM 1821 SD MET A 245 4.427 -4.240 18.438 1.00 18.33 S ATOM 1822 CE MET A 245 3.691 -5.475 19.494 1.00 19.84 C ATOM 1823 H MET A 245 0.888 -6.677 15.158 1.00 0.00 H ATOM 1824 N ILE A 246 1.879 -3.047 13.940 1.00 12.20 N ATOM 1825 CA ILE A 246 2.573 -2.530 12.766 1.00 11.97 C ATOM 1826 C ILE A 246 3.655 -1.562 13.232 1.00 10.93 C ATOM 1827 O ILE A 246 3.361 -0.532 13.851 1.00 11.25 O ATOM 1828 CB ILE A 246 1.592 -1.864 11.788 1.00 12.23 C ATOM 1829 CG1 ILE A 246 0.460 -2.829 11.421 1.00 11.60 C ATOM 1830 CG2 ILE A 246 2.310 -1.387 10.535 1.00 13.43 C ATOM 1831 CD1 ILE A 246 0.942 -4.205 10.955 1.00 12.15 C ATOM 1832 H ILE A 246 1.155 -2.453 14.392 1.00 0.00 H ATOM 1833 N VAL A 247 4.907 -1.898 12.947 1.00 10.28 N ATOM 1834 CA VAL A 247 6.055 -1.062 13.280 1.00 10.93 C ATOM 1835 C VAL A 247 6.456 -0.294 12.026 1.00 10.59 C ATOM 1836 O VAL A 247 6.384 -0.822 10.907 1.00 11.95 O ATOM 1837 CB VAL A 247 7.214 -1.929 13.818 1.00 10.73 C ATOM 1838 CG1 VAL A 247 8.442 -1.068 14.184 1.00 11.20 C ATOM 1839 CG2 VAL A 247 6.729 -2.758 15.022 1.00 12.99 C ATOM 1840 H VAL A 247 5.078 -2.802 12.462 1.00 0.00 H ATOM 1841 N MET A 248 6.867 0.959 12.202 1.00 10.82 N ATOM 1842 CA MET A 248 7.157 1.820 11.064 1.00 11.44 C ATOM 1843 C MET A 248 8.313 2.751 11.408 1.00 9.72 C ATOM 1844 O MET A 248 8.775 2.807 12.546 1.00 11.05 O ATOM 1845 CB MET A 248 5.903 2.572 10.607 1.00 14.47 C ATOM 1846 CG MET A 248 5.374 3.566 11.611 1.00 15.98 C ATOM 1847 SD MET A 248 3.583 3.721 11.512 1.00 16.62 S ATOM 1848 CE MET A 248 3.059 2.368 12.556 1.00 16.85 C ATOM 1849 H MET A 248 6.983 1.329 13.167 1.00 0.00 H ATOM 1850 N SER A 249 8.783 3.482 10.396 1.00 9.73 N ATOM 1851 CA SER A 249 10.044 4.206 10.538 1.00 9.44 C ATOM 1852 C SER A 249 9.931 5.424 11.445 1.00 10.62 C ATOM 1853 O SER A 249 10.889 5.751 12.155 1.00 11.31 O ATOM 1854 CB SER A 249 10.558 4.648 9.174 1.00 9.87 C ATOM 1855 OG SER A 249 11.163 3.565 8.499 1.00 10.36 O ATOM 1856 HG SER A 249 11.491 3.870 7.616 1.00 0.00 H ATOM 1857 H SER A 249 8.251 3.537 9.504 1.00 0.00 H ATOM 1858 N HIS A 250 8.800 6.133 11.420 1.00 12.20 N ATOM 1859 CA HIS A 250 8.759 7.455 12.035 1.00 13.61 C ATOM 1860 C HIS A 250 7.652 7.634 13.066 1.00 15.42 C ATOM 1861 O HIS A 250 7.397 8.765 13.490 1.00 18.54 O ATOM 1862 CB HIS A 250 8.693 8.543 10.959 1.00 14.06 C ATOM 1863 CG HIS A 250 9.796 8.442 9.951 1.00 11.99 C ATOM 1864 ND1 HIS A 250 11.127 8.529 10.297 1.00 10.61 N ATOM 1865 CD2 HIS A 250 9.769 8.254 8.611 1.00 12.81 C ATOM 1866 CE1 HIS A 250 11.873 8.392 9.216 1.00 10.90 C ATOM 1867 NE2 HIS A 250 11.073 8.227 8.180 1.00 12.58 N ATOM 1868 H HIS A 250 7.951 5.744 10.963 1.00 0.00 H ATOM 1869 N SER A 251 6.995 6.563 13.486 1.00 15.50 N ATOM 1870 CA SER A 251 5.984 6.662 14.524 1.00 15.72 C ATOM 1871 C SER A 251 6.091 5.442 15.418 1.00 15.12 C ATOM 1872 O SER A 251 6.692 4.433 15.045 1.00 14.46 O ATOM 1873 CB SER A 251 4.568 6.755 13.943 1.00 17.64 C ATOM 1874 OG SER A 251 4.405 7.955 13.209 1.00 19.90 O ATOM 1875 HG SER A 251 3.486 7.995 12.843 1.00 0.00 H ATOM 1876 H SER A 251 7.207 5.636 13.065 1.00 0.00 H ATOM 1877 N ALA A 252 5.504 5.551 16.612 1.00 15.64 N ATOM 1878 CA ALA A 252 5.439 4.417 17.518 1.00 14.43 C ATOM 1879 C ALA A 252 4.605 3.300 16.888 1.00 14.17 C ATOM 1880 O ALA A 252 3.767 3.556 16.020 1.00 14.64 O ATOM 1881 CB ALA A 252 4.842 4.847 18.858 1.00 16.22 C ATOM 1882 H ALA A 252 5.087 6.460 16.898 1.00 0.00 H ATOM 1883 N PRO A 253 4.834 2.049 17.296 1.00 12.69 N ATOM 1884 CA PRO A 253 4.030 0.942 16.766 1.00 13.16 C ATOM 1885 C PRO A 253 2.544 1.200 16.952 1.00 14.38 C ATOM 1886 O PRO A 253 2.107 1.766 17.958 1.00 15.00 O ATOM 1887 CB PRO A 253 4.496 -0.260 17.595 1.00 13.94 C ATOM 1888 CG PRO A 253 5.881 0.089 17.980 1.00 13.88 C ATOM 1889 CD PRO A 253 5.862 1.568 18.233 1.00 12.85 C ATOM 1890 N ASP A 254 1.763 0.766 15.968 1.00 12.93 N ATOM 1891 CA ASP A 254 0.345 1.076 15.914 1.00 13.67 C ATOM 1892 C ASP A 254 -0.419 -0.187 15.545 1.00 13.60 C ATOM 1893 O ASP A 254 0.167 -1.230 15.260 1.00 14.55 O ATOM 1894 CB ASP A 254 0.103 2.173 14.871 1.00 13.96 C ATOM 1895 CG ASP A 254 -1.189 2.940 15.095 1.00 17.10 C ATOM 1896 OD1 ASP A 254 -1.974 2.611 16.013 1.00 17.47 O ATOM 1897 OD2 ASP A 254 -1.417 3.886 14.323 1.00 18.56 O ATOM 1898 H ASP A 254 2.181 0.186 15.213 1.00 0.00 H ATOM 1899 N SER A 255 -1.748 -0.090 15.567 1.00 13.63 N ATOM 1900 CA SER A 255 -2.598 -1.164 15.076 1.00 13.72 C ATOM 1901 C SER A 255 -2.619 -1.163 13.548 1.00 13.32 C ATOM 1902 O SER A 255 -1.988 -0.333 12.889 1.00 14.30 O ATOM 1903 CB SER A 255 -4.018 -0.979 15.591 1.00 15.14 C ATOM 1904 OG SER A 255 -4.649 0.058 14.860 1.00 15.41 O ATOM 1905 HG SER A 255 -4.141 0.899 14.977 1.00 0.00 H ATOM 1906 H SER A 255 -2.188 0.774 15.944 1.00 0.00 H ATOM 1907 N ARG A 256 -3.377 -2.100 12.969 1.00 13.24 N ATOM 1908 CA ARG A 256 -3.468 -2.192 11.516 1.00 13.22 C ATOM 1909 C ARG A 256 -4.175 -0.999 10.892 1.00 13.16 C ATOM 1910 O ARG A 256 -4.159 -0.864 9.666 1.00 13.41 O ATOM 1911 CB ARG A 256 -4.167 -3.489 11.096 1.00 14.21 C ATOM 1912 CG ARG A 256 -3.407 -4.737 11.477 1.00 15.18 C ATOM 1913 CD ARG A 256 -4.124 -5.996 11.023 1.00 16.15 C ATOM 1914 NE ARG A 256 -4.172 -6.155 9.568 1.00 15.76 N ATOM 1915 CZ ARG A 256 -3.187 -6.670 8.833 1.00 16.24 C ATOM 1916 NH1 ARG A 256 -2.053 -7.064 9.405 1.00 16.49 N ATOM 1917 NH2 ARG A 256 -3.330 -6.786 7.521 1.00 16.41 N ATOM 1918 HE ARG A 256 -5.033 -5.845 9.075 1.00 0.00 H ATOM 1919 HH12 ARG A 256 -1.289 -7.465 8.824 1.00 0.00 H ATOM 1920 HH11 ARG A 256 -1.930 -6.971 10.434 1.00 0.00 H ATOM 1921 HH22 ARG A 256 -2.561 -7.188 6.948 1.00 0.00 H ATOM 1922 HH21 ARG A 256 -4.211 -6.475 7.064 1.00 0.00 H ATOM 1923 H ARG A 256 -3.908 -2.771 13.561 1.00 0.00 H ATOM 1924 N ALA A 257 -4.795 -0.135 11.698 1.00 13.15 N ATOM 1925 CA ALA A 257 -5.326 1.112 11.163 1.00 12.92 C ATOM 1926 C ALA A 257 -4.231 1.980 10.551 1.00 13.35 C ATOM 1927 O ALA A 257 -4.526 2.836 9.713 1.00 14.04 O ATOM 1928 CB ALA A 257 -6.101 1.882 12.238 1.00 13.26 C ATOM 1929 H ALA A 257 -4.899 -0.352 12.710 1.00 0.00 H ATOM 1930 N ALA A 258 -2.971 1.774 10.939 1.00 12.69 N ATOM 1931 CA ALA A 258 -1.882 2.446 10.240 1.00 12.18 C ATOM 1932 C ALA A 258 -1.881 2.087 8.758 1.00 13.31 C ATOM 1933 O ALA A 258 -1.655 2.950 7.899 1.00 13.04 O ATOM 1934 CB ALA A 258 -0.547 2.088 10.894 1.00 11.97 C ATOM 1935 H ALA A 258 -2.767 1.138 11.736 1.00 0.00 H ATOM 1936 N ILE A 259 -2.157 0.819 8.439 1.00 13.06 N ATOM 1937 CA ILE A 259 -2.162 0.383 7.046 1.00 12.43 C ATOM 1938 C ILE A 259 -3.357 0.970 6.306 1.00 12.74 C ATOM 1939 O ILE A 259 -3.214 1.538 5.215 1.00 12.49 O ATOM 1940 CB ILE A 259 -2.149 -1.154 6.958 1.00 13.28 C ATOM 1941 CG1 ILE A 259 -0.966 -1.742 7.725 1.00 12.75 C ATOM 1942 CG2 ILE A 259 -2.097 -1.601 5.506 1.00 14.38 C ATOM 1943 CD1 ILE A 259 -1.054 -3.263 7.867 1.00 13.56 C ATOM 1944 H ILE A 259 -2.371 0.135 9.192 1.00 0.00 H ATOM 1945 N THR A 260 -4.560 0.826 6.878 1.00 12.29 N ATOM 1946 CA THR A 260 -5.749 1.349 6.211 1.00 13.57 C ATOM 1947 C THR A 260 -5.651 2.858 6.030 1.00 13.77 C ATOM 1948 O THR A 260 -5.984 3.387 4.963 1.00 15.28 O ATOM 1949 CB THR A 260 -7.026 0.953 6.965 1.00 13.92 C ATOM 1950 OG1 THR A 260 -6.920 1.322 8.348 1.00 15.41 O ATOM 1951 CG2 THR A 260 -7.283 -0.552 6.854 1.00 14.98 C ATOM 1952 HG1 THR A 260 -6.792 2.301 8.418 1.00 0.00 H ATOM 1953 H THR A 260 -4.647 0.343 7.795 1.00 0.00 H ATOM 1954 N HIS A 261 -5.164 3.569 7.050 1.00 13.83 N ATOM 1955 CA HIS A 261 -5.086 5.021 6.950 1.00 14.48 C ATOM 1956 C HIS A 261 -4.018 5.450 5.955 1.00 14.42 C ATOM 1957 O HIS A 261 -4.221 6.401 5.195 1.00 14.70 O ATOM 1958 CB HIS A 261 -4.816 5.624 8.325 1.00 15.09 C ATOM 1959 CG HIS A 261 -4.601 7.104 8.303 1.00 16.25 C ATOM 1960 ND1 HIS A 261 -5.590 7.998 7.950 1.00 17.96 N ATOM 1961 CD2 HIS A 261 -3.508 7.847 8.593 1.00 16.50 C ATOM 1962 CE1 HIS A 261 -5.115 9.228 8.027 1.00 17.56 C ATOM 1963 NE2 HIS A 261 -3.854 9.163 8.413 1.00 16.89 N ATOM 1964 H HIS A 261 -4.841 3.088 7.914 1.00 0.00 H ATOM 1965 N THR A 262 -2.867 4.770 5.947 1.00 12.21 N ATOM 1966 CA THR A 262 -1.838 5.100 4.967 1.00 13.18 C ATOM 1967 C THR A 262 -2.358 4.893 3.552 1.00 14.14 C ATOM 1968 O THR A 262 -2.180 5.748 2.677 1.00 13.34 O ATOM 1969 CB THR A 262 -0.591 4.245 5.194 1.00 13.28 C ATOM 1970 OG1 THR A 262 0.023 4.595 6.441 1.00 12.81 O ATOM 1971 CG2 THR A 262 0.399 4.473 4.074 1.00 13.06 C ATOM 1972 HG1 THR A 262 -0.618 4.439 7.179 1.00 0.00 H ATOM 1973 H THR A 262 -2.706 4.009 6.637 1.00 0.00 H ATOM 1974 N ALA A 263 -3.009 3.756 3.311 1.00 13.82 N ATOM 1975 CA ALA A 263 -3.544 3.491 1.983 1.00 14.38 C ATOM 1976 C ALA A 263 -4.596 4.525 1.607 1.00 14.91 C ATOM 1977 O ALA A 263 -4.622 5.006 0.470 1.00 13.92 O ATOM 1978 CB ALA A 263 -4.119 2.075 1.921 1.00 14.96 C ATOM 1979 H ALA A 263 -3.135 3.058 4.071 1.00 0.00 H ATOM 1980 N ARG A 264 -5.460 4.895 2.559 1.00 15.81 N ATOM 1981 CA ARG A 264 -6.518 5.859 2.267 1.00 16.60 C ATOM 1982 C ARG A 264 -5.941 7.226 1.909 1.00 16.80 C ATOM 1983 O ARG A 264 -6.453 7.909 1.015 1.00 18.14 O ATOM 1984 CB ARG A 264 -7.473 5.955 3.459 1.00 16.92 C ATOM 1985 CG ARG A 264 -8.802 6.602 3.139 1.00 18.16 C ATOM 1986 CD ARG A 264 -9.646 5.704 2.253 1.00 18.47 C ATOM 1987 NE ARG A 264 -10.912 6.330 1.892 1.00 19.38 N ATOM 1988 CZ ARG A 264 -11.312 6.554 0.644 1.00 21.16 C ATOM 1989 NH1 ARG A 264 -10.538 6.201 -0.379 1.00 22.16 N ATOM 1990 NH2 ARG A 264 -12.490 7.129 0.415 1.00 21.10 N ATOM 1991 HE ARG A 264 -11.546 6.621 2.663 1.00 0.00 H ATOM 1992 HH12 ARG A 264 -10.853 6.377 -1.354 1.00 0.00 H ATOM 1993 HH11 ARG A 264 -9.618 5.749 -0.203 1.00 0.00 H ATOM 1994 HH22 ARG A 264 -12.802 7.304 -0.561 1.00 0.00 H ATOM 1995 HH21 ARG A 264 -13.098 7.403 1.213 1.00 0.00 H ATOM 1996 H ARG A 264 -5.378 4.493 3.515 1.00 0.00 H ATOM 1997 N MET A 265 -4.870 7.643 2.594 1.00 17.19 N ATOM 1998 CA MET A 265 -4.190 8.881 2.221 1.00 18.42 C ATOM 1999 C MET A 265 -3.560 8.761 0.841 1.00 18.10 C ATOM 2000 O MET A 265 -3.584 9.713 0.052 1.00 19.16 O ATOM 2001 CB MET A 265 -3.111 9.223 3.253 1.00 20.12 C ATOM 2002 CG MET A 265 -3.613 9.951 4.486 1.00 22.44 C ATOM 2003 SD MET A 265 -2.268 10.698 5.432 1.00 25.22 S ATOM 2004 CE MET A 265 -1.307 9.240 5.818 1.00 25.26 C ATOM 2005 H MET A 265 -4.519 7.082 3.397 1.00 0.00 H ATOM 2006 N ALA A 266 -2.960 7.605 0.544 1.00 17.42 N ATOM 2007 CA ALA A 266 -2.331 7.389 -0.754 1.00 17.29 C ATOM 2008 C ALA A 266 -3.350 7.315 -1.887 1.00 18.02 C ATOM 2009 O ALA A 266 -2.995 7.592 -3.040 1.00 18.17 O ATOM 2010 CB ALA A 266 -1.470 6.125 -0.720 1.00 18.16 C ATOM 2011 H ALA A 266 -2.941 6.844 1.252 1.00 0.00 H ATOM 2012 N ASP A 267 -4.603 6.944 -1.593 1.00 19.15 N ATOM 2013 CA ASP A 267 -5.638 6.992 -2.624 1.00 21.60 C ATOM 2014 C ASP A 267 -5.746 8.385 -3.230 1.00 24.87 C ATOM 2015 O ASP A 267 -6.040 8.520 -4.420 1.00 25.01 O ATOM 2016 CB ASP A 267 -7.004 6.595 -2.053 1.00 20.24 C ATOM 2017 CG ASP A 267 -7.130 5.115 -1.777 1.00 20.34 C ATOM 2018 OD1 ASP A 267 -6.447 4.308 -2.444 1.00 20.66 O ATOM 2019 OD2 ASP A 267 -7.942 4.762 -0.887 1.00 18.92 O ATOM 2020 H ASP A 267 -4.839 6.622 -0.633 1.00 0.00 H ATOM 2021 N LYS A 268 -5.500 9.429 -2.430 1.00 28.17 N ATOM 2022 CA LYS A 268 -5.607 10.802 -2.916 1.00 31.70 C ATOM 2023 C LYS A 268 -4.458 11.196 -3.833 1.00 32.72 C ATOM 2024 O LYS A 268 -4.573 12.202 -4.542 1.00 32.90 O ATOM 2025 CB LYS A 268 -5.686 11.779 -1.742 1.00 33.74 C ATOM 2026 CG LYS A 268 -6.683 11.381 -0.664 1.00 34.97 C ATOM 2027 CD LYS A 268 -6.965 12.534 0.283 1.00 36.23 C ATOM 2028 CE LYS A 268 -7.704 12.064 1.527 1.00 36.70 C ATOM 2029 NZ LYS A 268 -9.029 11.454 1.212 1.00 36.76 N ATOM 2030 HZ1 LYS A 268 -9.627 12.156 0.731 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 -8.892 10.631 0.592 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 -9.489 11.152 2.095 1.00 0.00 H ATOM 2033 H LYS A 268 -5.227 9.259 -1.441 1.00 0.00 H ATOM 2034 N LEU A 269 -3.355 10.441 -3.832 1.00 33.64 N ATOM 2035 CA LEU A 269 -2.240 10.747 -4.723 1.00 35.29 C ATOM 2036 C LEU A 269 -2.547 10.395 -6.170 1.00 37.89 C ATOM 2037 O LEU A 269 -1.836 10.855 -7.071 1.00 38.34 O ATOM 2038 CB LEU A 269 -0.995 9.968 -4.303 1.00 34.15 C ATOM 2039 CG LEU A 269 -0.127 10.475 -3.152 1.00 33.53 C ATOM 2040 CD1 LEU A 269 0.880 9.406 -2.772 1.00 33.13 C ATOM 2041 CD2 LEU A 269 0.579 11.770 -3.527 1.00 34.05 C ATOM 2042 H LEU A 269 -3.290 9.626 -3.189 1.00 0.00 H ATOM 2043 N ARG A 270 -3.569 9.582 -6.411 1.00 39.66 N ATOM 2044 CA ARG A 270 -3.898 9.144 -7.758 1.00 41.28 C ATOM 2045 C ARG A 270 -4.858 10.120 -8.430 1.00 43.13 C ATOM 2046 O ARG A 270 -5.461 10.971 -7.772 1.00 43.68 O ATOM 2047 CB ARG A 270 -4.497 7.738 -7.719 1.00 41.32 C ATOM 2048 CG ARG A 270 -3.543 6.696 -7.152 1.00 41.32 C ATOM 2049 CD ARG A 270 -4.237 5.368 -6.884 1.00 42.41 C ATOM 2050 NE ARG A 270 -4.999 4.890 -8.036 1.00 44.20 N ATOM 2051 CZ ARG A 270 -4.455 4.384 -9.139 1.00 45.00 C ATOM 2052 NH1 ARG A 270 -3.136 4.291 -9.255 1.00 45.54 N ATOM 2053 NH2 ARG A 270 -5.230 3.970 -10.131 1.00 44.89 N ATOM 2054 OXT ARG A 270 -5.046 10.085 -9.646 1.00 43.61 O ATOM 2055 HE ARG A 270 -6.036 4.950 -7.990 1.00 0.00 H ATOM 2056 HH12 ARG A 270 -2.717 3.894 -10.120 1.00 0.00 H ATOM 2057 HH11 ARG A 270 -2.522 4.615 -8.481 1.00 0.00 H ATOM 2058 HH22 ARG A 270 -4.804 3.574 -10.993 1.00 0.00 H ATOM 2059 HH21 ARG A 270 -6.264 4.041 -10.047 1.00 0.00 H ATOM 2060 H ARG A 270 -4.150 9.250 -5.615 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 13.171 6.816 2.674 1.00 9.00 ZN HETATM 2063 ZN ZN A 2 11.340 7.591 6.349 1.00 13.02 ZN HETATM 2064 O HOH 3 11.974 8.187 21.047 1.00 45.09 O HETATM 2065 O HOH 4 29.720 3.244 20.533 1.00 45.04 O HETATM 2066 O HOH 5 29.949 -1.224 18.791 1.00 18.53 O HETATM 2067 O HOH 6 29.939 -3.384 20.979 1.00 22.53 O HETATM 2068 O HOH 7 -8.844 9.155 0.468 1.00 43.12 O HETATM 2069 O HOH 8 17.505 19.583 15.027 1.00 24.33 O HETATM 2070 O HOH 9 10.527 15.615 0.419 1.00 29.46 O HETATM 2071 O HOH 10 12.085 -1.531 26.718 1.00 32.99 O HETATM 2072 O HOH 11 21.112 2.725 -10.587 1.00 42.27 O HETATM 2073 O HOH 12 10.931 15.436 15.518 1.00 19.49 O HETATM 2074 O HOH 13 12.604 5.186 -5.665 1.00 21.65 O HETATM 2075 O HOH 14 23.391 -1.560 29.242 1.00 46.83 O HETATM 2076 O HOH 15 16.890 9.012 -6.526 1.00 36.60 O HETATM 2077 O HOH 16 23.041 10.788 17.635 1.00 22.32 O HETATM 2078 O HOH 17 -6.604 3.734 -4.959 1.00 25.61 O HETATM 2079 O HOH 18 25.054 8.975 7.691 1.00 27.63 O HETATM 2080 O HOH 19 9.192 -15.795 16.767 1.00 41.67 O HETATM 2081 O HOH 20 33.283 -6.974 7.154 1.00 40.86 O HETATM 2082 O HOH 21 30.677 -7.910 7.045 1.00 30.10 O HETATM 2083 O HOH 22 24.608 -14.702 2.076 1.00 17.71 O HETATM 2084 O HOH 23 15.044 -1.943 26.417 1.00 35.11 O HETATM 2085 O HOH 24 25.323 -18.124 19.888 1.00 33.07 O HETATM 2086 O HOH 25 24.175 -17.461 5.380 1.00 22.40 O HETATM 2087 O HOH 26 31.142 -9.590 22.184 1.00 39.00 O HETATM 2088 O HOH 27 0.347 10.824 13.930 1.00 39.04 O HETATM 2089 O HOH 28 4.511 7.733 10.601 1.00 21.97 O HETATM 2090 O HOH 29 0.032 10.076 -8.738 1.00 33.64 O HETATM 2091 O HOH 30 18.941 -8.129 29.161 1.00 25.33 O HETATM 2092 O HOH 31 32.531 -10.493 26.166 1.00 53.53 O HETATM 2093 O HOH 32 -4.714 2.386 16.074 1.00 23.15 O HETATM 2094 O HOH 33 26.058 -0.739 -6.089 1.00 21.77 O HETATM 2095 O HOH 34 -8.128 3.466 9.287 1.00 22.71 O HETATM 2096 O HOH 35 20.481 2.812 29.099 1.00 45.03 O HETATM 2097 O HOH 36 8.360 2.769 -9.552 1.00 34.62 O HETATM 2098 O HOH 37 8.606 10.405 15.189 1.00 43.11 O HETATM 2099 O HOH 38 4.203 14.785 2.035 1.00 25.35 O HETATM 2100 O HOH 39 27.779 -8.009 27.613 1.00 24.43 O HETATM 2101 O HOH 40 29.913 5.238 5.911 1.00 15.76 O HETATM 2102 O HOH 41 25.822 3.994 4.011 1.00 10.96 O HETATM 2103 O HOH 42 17.208 10.886 -3.366 1.00 14.28 O HETATM 2104 O HOH 43 6.841 12.715 -5.584 1.00 31.79 O HETATM 2105 O HOH 44 31.575 -1.209 3.700 1.00 18.86 O HETATM 2106 O HOH 45 23.687 4.288 -7.807 1.00 13.06 O HETATM 2107 O HOH 46 6.911 1.755 14.966 1.00 12.40 O HETATM 2108 O HOH 47 9.783 5.769 -7.310 1.00 29.33 O HETATM 2109 O HOH 48 14.947 -6.160 -7.033 1.00 21.64 O HETATM 2110 O HOH 49 25.042 -7.754 -4.364 1.00 30.93 O HETATM 2111 O HOH 50 16.658 -19.947 12.773 1.00 28.38 O HETATM 2112 O HOH 51 35.459 -6.060 13.904 1.00 23.03 O HETATM 2113 O HOH 52 28.275 -11.754 12.508 1.00 15.32 O HETATM 2114 O HOH 53 13.393 9.870 -7.705 1.00 51.79 O HETATM 2115 O HOH 54 6.422 8.038 2.082 1.00 14.93 O HETATM 2116 O HOH 55 -6.213 -5.432 7.947 1.00 29.52 O HETATM 2117 O HOH 56 22.773 -15.238 6.239 1.00 14.13 O HETATM 2118 O HOH 57 1.913 5.515 16.289 1.00 22.04 O HETATM 2119 O HOH 58 12.483 2.576 20.199 1.00 11.89 O HETATM 2120 O HOH 59 1.659 -4.100 -5.230 1.00 25.25 O HETATM 2121 O HOH 60 -1.345 5.725 -4.618 1.00 19.34 O HETATM 2122 O HOH 61 -4.110 -11.818 3.096 1.00 28.30 O HETATM 2123 O HOH 62 32.347 5.127 13.283 1.00 43.69 O HETATM 2124 O HOH 63 26.282 6.697 3.708 1.00 12.26 O HETATM 2125 O HOH 64 16.285 3.414 11.312 1.00 8.89 O HETATM 2126 O HOH 65 16.247 -3.135 0.584 1.00 7.49 O HETATM 2127 O HOH 66 26.414 -8.868 20.897 1.00 14.74 O HETATM 2128 O HOH 67 13.427 -17.808 17.465 1.00 17.22 O HETATM 2129 O HOH 68 1.473 -7.499 21.119 1.00 36.33 O HETATM 2130 O HOH 69 26.050 10.336 14.623 1.00 13.27 O HETATM 2131 O HOH 70 2.575 11.125 12.247 1.00 36.56 O HETATM 2132 O HOH 71 14.764 -20.273 14.284 1.00 60.29 O HETATM 2133 O HOH 72 -4.099 -4.213 14.863 1.00 17.23 O HETATM 2134 O HOH 73 -5.315 -0.033 -3.609 1.00 22.69 O HETATM 2135 O HOH 74 -9.911 3.040 -1.727 1.00 25.94 O HETATM 2136 O HOH 75 30.393 -1.036 14.347 1.00 13.42 O HETATM 2137 O HOH 76 28.792 -11.466 4.419 1.00 36.78 O HETATM 2138 O HOH 77 11.652 1.207 4.496 1.00 9.81 O HETATM 2139 O HOH 78 17.191 3.819 14.063 1.00 8.71 O HETATM 2140 O HOH 79 -12.557 6.987 4.001 1.00 23.11 O HETATM 2141 O HOH 80 25.575 -12.457 -2.260 1.00 21.88 O HETATM 2142 O HOH 81 8.572 -1.963 26.315 1.00 41.35 O HETATM 2143 O HOH 82 33.217 4.810 6.983 1.00 25.74 O HETATM 2144 O HOH 83 20.340 10.405 0.116 1.00 12.22 O HETATM 2145 O HOH 84 -2.706 -4.173 -3.340 1.00 17.08 O HETATM 2146 O HOH 85 4.871 0.248 21.631 1.00 37.85 O HETATM 2147 O HOH 86 -2.680 -10.341 17.727 1.00 40.37 O HETATM 2148 O HOH 87 8.500 -8.495 -7.184 1.00 23.02 O HETATM 2149 O HOH 88 21.105 14.077 5.946 1.00 24.79 O HETATM 2150 O HOH 89 1.521 13.496 1.982 1.00 26.70 O HETATM 2151 O HOH 90 31.471 7.477 9.507 1.00 42.88 O HETATM 2152 O HOH 91 29.477 5.030 18.401 1.00 19.66 O HETATM 2153 O HOH 92 21.709 -12.596 -1.240 1.00 15.16 O HETATM 2154 O HOH 93 20.281 9.128 17.735 1.00 13.06 O HETATM 2155 O HOH 94 -8.151 7.462 7.004 1.00 22.74 O HETATM 2156 O HOH 95 18.972 9.622 2.358 1.00 11.67 O HETATM 2157 O HOH 96 9.988 -16.190 0.635 1.00 29.21 O HETATM 2158 O HOH 97 12.569 5.767 30.319 1.00 26.82 O HETATM 2159 O HOH 98 12.513 -14.068 4.384 1.00 18.34 O HETATM 2160 O HOH 99 9.495 -0.157 3.472 1.00 11.52 O HETATM 2161 O HOH 100 2.634 -13.755 6.457 1.00 34.94 O HETATM 2162 O HOH 101 22.194 16.860 9.814 1.00 23.29 O HETATM 2163 O HOH 102 22.612 19.523 10.656 1.00 39.54 O HETATM 2164 O HOH 103 -1.036 -12.695 15.523 1.00 46.77 O HETATM 2165 O HOH 104 13.260 -16.806 6.842 1.00 26.51 O HETATM 2166 O HOH 105 18.413 -14.366 -7.452 1.00 19.58 O HETATM 2167 O HOH 106 12.825 -15.083 17.154 1.00 25.49 O HETATM 2168 O HOH 107 3.121 2.162 20.539 1.00 26.29 O HETATM 2169 O HOH 108 -4.742 -5.080 2.581 1.00 32.34 O HETATM 2170 O HOH 109 28.773 3.517 -2.256 1.00 19.20 O HETATM 2171 O HOH 110 3.618 7.627 -9.841 1.00 36.12 O HETATM 2172 O HOH 111 -7.829 2.043 3.329 1.00 15.69 O HETATM 2173 O HOH 112 4.069 -10.761 19.428 1.00 27.53 O HETATM 2174 O HOH 113 31.936 -12.212 11.220 1.00 30.37 O HETATM 2175 O HOH 114 26.938 -6.581 19.469 1.00 12.64 O HETATM 2176 O HOH 115 29.458 -2.775 0.038 1.00 23.61 O HETATM 2177 O HOH 116 19.915 22.918 12.028 1.00 47.28 O HETATM 2178 O HOH 117 22.246 13.086 15.151 1.00 15.66 O HETATM 2179 O HOH 118 11.843 -16.361 24.262 1.00 24.28 O HETATM 2180 O HOH 119 7.036 -16.354 -4.247 1.00 22.69 O HETATM 2181 O HOH 120 8.317 -14.967 -10.082 1.00 29.64 O HETATM 2182 O HOH 121 29.982 -9.981 14.093 1.00 15.26 O HETATM 2183 O HOH 122 27.532 -12.112 9.967 1.00 16.45 O HETATM 2184 O HOH 123 28.226 7.679 -2.635 1.00 32.77 O HETATM 2185 O HOH 124 10.691 9.176 -1.052 1.00 13.24 O HETATM 2186 O HOH 125 26.044 -5.085 -3.368 1.00 29.50 O HETATM 2187 O HOH 126 14.372 -13.041 25.137 1.00 33.10 O HETATM 2188 O HOH 127 28.098 -10.426 22.450 1.00 37.18 O HETATM 2189 O HOH 128 9.563 10.363 -7.328 1.00 48.90 O HETATM 2190 O HOH 129 -4.799 12.595 7.879 1.00 35.54 O HETATM 2191 O HOH 130 4.415 8.060 17.443 1.00 28.91 O HETATM 2192 O HOH 131 24.823 7.787 21.359 1.00 25.07 O HETATM 2193 O HOH 132 18.308 8.830 24.185 1.00 17.32 O HETATM 2194 O HOH 133 -7.248 -1.001 14.306 1.00 19.57 O HETATM 2195 O HOH 134 21.916 -12.286 -4.871 1.00 19.23 O HETATM 2196 O HOH 135 13.931 11.804 -1.387 1.00 17.79 O HETATM 2197 O HOH 136 -6.189 -9.113 9.972 1.00 37.37 O HETATM 2198 O HOH 137 27.665 7.871 9.079 1.00 23.25 O HETATM 2199 O HOH 138 19.794 -19.836 17.128 1.00 14.87 O HETATM 2200 O HOH 139 31.857 -7.105 16.069 1.00 17.99 O HETATM 2201 O HOH 140 3.843 -11.292 12.055 1.00 35.50 O HETATM 2202 O HOH 141 1.826 -1.598 -6.267 1.00 22.95 O HETATM 2203 O HOH 142 0.140 -8.920 -0.933 1.00 22.31 O HETATM 2204 O HOH 143 19.537 6.498 30.329 1.00 32.15 O HETATM 2205 O HOH 144 1.069 -13.784 0.311 1.00 41.93 O HETATM 2206 O HOH 145 22.294 -4.723 -7.455 1.00 25.83 O HETATM 2207 O HOH 146 28.973 8.397 12.144 1.00 13.57 O HETATM 2208 O HOH 147 5.431 8.873 -8.815 1.00 29.40 O HETATM 2209 O HOH 148 4.256 11.308 7.888 1.00 35.25 O HETATM 2210 O HOH 149 0.586 4.218 18.333 1.00 29.17 O HETATM 2211 O HOH 150 27.757 3.594 5.975 1.00 9.70 O HETATM 2212 O HOH 151 15.216 -19.003 -4.145 1.00 20.95 O HETATM 2213 O HOH 152 10.565 4.140 21.542 1.00 22.28 O HETATM 2214 O HOH 153 13.864 -8.812 -7.627 1.00 18.99 O HETATM 2215 O HOH 154 4.040 -8.430 21.205 1.00 31.17 O HETATM 2216 O HOH 155 12.437 -3.511 -6.204 1.00 24.01 O HETATM 2217 O HOH 156 10.373 24.866 10.943 1.00 43.76 O HETATM 2218 O HOH 157 0.853 -12.648 8.998 1.00 24.40 O HETATM 2219 O HOH 158 9.817 6.610 17.208 1.00 27.11 O HETATM 2220 O HOH 159 -7.127 -0.700 3.046 1.00 26.60 O HETATM 2221 O HOH 160 7.360 5.753 7.612 1.00 25.81 O HETATM 2222 O HOH 161 6.468 6.057 9.528 1.00 21.00 O HETATM 2223 O HOH 162 10.617 -11.080 -10.423 1.00 47.36 O HETATM 2224 O HOH 163 18.762 -3.952 -9.498 1.00 39.91 O HETATM 2225 O HOH 164 15.048 -4.630 27.126 1.00 35.87 O HETATM 2226 O HOH 165 7.890 15.251 -0.389 1.00 20.33 O HETATM 2227 O HOH 166 16.868 -12.146 25.099 1.00 29.08 O HETATM 2228 O HOH 167 10.928 17.125 12.798 1.00 23.37 O HETATM 2229 O HOH 168 7.784 5.020 29.724 1.00 52.26 O HETATM 2230 O HOH 169 28.754 0.685 -2.198 1.00 14.08 O HETATM 2231 O HOH 170 19.033 11.661 4.419 1.00 21.05 O HETATM 2232 O HOH 171 12.541 -10.902 27.202 1.00 39.85 O HETATM 2233 O HOH 172 -2.162 2.402 -5.989 1.00 20.42 O HETATM 2234 O HOH 173 14.343 -16.211 3.790 1.00 27.14 O HETATM 2235 O HOH 174 0.675 -14.556 4.223 1.00 44.87 O HETATM 2236 O HOH 175 24.679 12.731 8.666 1.00 26.22 O HETATM 2237 O HOH 176 10.688 12.656 14.915 1.00 32.16 O HETATM 2238 O HOH 177 24.119 -10.953 -3.891 1.00 15.92 O HETATM 2239 O HOH 178 -7.331 6.016 10.833 1.00 48.51 O HETATM 2240 O HOH 179 28.186 -9.572 16.258 1.00 12.82 O HETATM 2241 O HOH 180 2.089 13.215 10.124 1.00 32.26 O HETATM 2242 O HOH 181 12.518 8.128 27.802 1.00 51.51 O HETATM 2243 O HOH 182 16.759 -19.692 8.738 1.00 19.12 O HETATM 2244 O HOH 183 8.644 -2.780 -9.277 1.00 44.61 O HETATM 2245 O HOH 184 11.969 10.435 31.440 1.00 52.70 O HETATM 2246 O HOH 185 9.266 -12.621 20.409 1.00 23.72 O HETATM 2247 O HOH 186 21.854 15.527 14.077 1.00 18.46 O HETATM 2248 O HOH 187 16.847 25.067 6.435 1.00 37.20 O HETATM 2249 O HOH 188 -7.679 5.006 -6.668 1.00 49.05 O HETATM 2250 O HOH 189 9.624 -16.558 -3.547 1.00 19.13 O HETATM 2251 O HOH 190 29.218 10.495 17.561 1.00 44.21 O HETATM 2252 O HOH 191 24.056 -15.094 8.706 1.00 23.63 O HETATM 2253 O HOH 192 28.279 -14.255 23.573 1.00 46.02 O HETATM 2254 O HOH 193 6.816 9.903 7.644 1.00 27.90 O HETATM 2255 O HOH 194 32.489 -5.961 2.788 1.00 37.62 O HETATM 2256 O HOH 195 18.758 -2.641 31.539 1.00 41.88 O HETATM 2257 O HOH 196 3.339 -15.481 12.952 1.00 45.24 O HETATM 2258 O HOH 197 23.569 -17.276 10.328 1.00 29.25 O HETATM 2259 O HOH 198 21.935 -16.321 -3.412 1.00 26.93 O HETATM 2260 O HOH 199 -6.717 4.546 15.102 1.00 45.34 O HETATM 2261 O HOH 200 5.425 -15.275 -8.043 1.00 25.87 O HETATM 2262 O HOH 201 23.713 -17.649 12.237 1.00 33.17 O HETATM 2263 O HOH 202 28.373 -12.222 20.977 1.00 47.93 O HETATM 2264 O HOH 203 14.712 13.015 -5.131 1.00 29.72 O HETATM 2265 O HOH 204 22.553 6.591 28.533 1.00 31.92 O HETATM 2266 O HOH 205 15.885 -18.568 5.960 1.00 26.75 O HETATM 2267 O HOH 206 15.884 -19.072 3.350 1.00 29.77 O HETATM 2268 O HOH 207 25.795 0.788 -8.496 1.00 35.67 O HETATM 2269 O HOH 208 23.753 13.613 6.832 1.00 37.45 O HETATM 2270 O HOH 209 31.572 8.018 11.720 1.00 40.93 O HETATM 2271 O HOH 210 28.394 10.748 13.448 1.00 28.98 O HETATM 2272 O HOH 211 31.726 4.724 16.946 1.00 32.10 O HETATM 2273 O HOH 212 6.509 0.737 31.199 1.00 46.26 O HETATM 2274 O HOH 213 -1.462 1.717 -10.569 1.00 41.31 O HETATM 2275 O HOH 214 20.348 16.281 6.847 1.00 22.99 O HETATM 2276 O HOH 215 22.441 -3.733 -10.692 1.00 44.61 O HETATM 2277 O HOH 216 31.741 0.659 19.230 1.00 43.57 O HETATM 2278 O HOH 217 1.132 -14.214 16.691 1.00 41.40 O HETATM 2279 O HOH 218 7.567 -8.363 25.750 1.00 33.27 O HETATM 2280 O HOH 219 7.175 -5.799 25.976 1.00 43.34 O HETATM 2281 O HOH 220 -11.568 5.556 -3.593 1.00 37.88 O HETATM 2282 O HOH 221 10.973 6.202 20.261 1.00 40.14 O HETATM 2283 O HOH 222 13.639 -18.411 -5.792 1.00 32.87 O HETATM 2284 O HOH 223 1.562 -12.557 -2.145 1.00 41.65 O HETATM 2285 O HOH 224 12.718 25.642 6.928 1.00 49.29 O HETATM 2286 O HOH 225 12.279 15.712 -1.769 1.00 31.53 O HETATM 2287 O HOH 226 -3.454 -6.170 -1.644 1.00 22.32 O HETATM 2288 O HOH 227 10.534 -15.013 3.509 1.00 42.33 O HETATM 2289 O HOH 228 6.808 11.660 11.531 1.00 36.40 O HETATM 2290 O HOH 229 -1.416 -4.678 19.055 1.00 45.25 O HETATM 2291 O HOH 230 -10.194 9.330 -2.054 1.00 41.17 O HETATM 2292 O HOH 231 5.670 13.501 8.170 1.00 35.67 O HETATM 2293 O HOH 232 -10.083 0.356 -1.347 1.00 21.60 O HETATM 2294 O HOH 233 9.816 15.380 4.509 1.00 43.11 O HETATM 2295 O HOH 234 31.915 0.094 23.592 1.00 52.53 O HETATM 2296 O HOH 235 25.034 8.625 5.158 1.00 18.95 O HETATM 2297 O HOH 236 29.143 8.122 21.815 1.00 53.70 O HETATM 2298 O HOH 237 17.798 11.430 -0.591 1.00 16.37 O HETATM 2299 O HOH 238 -9.918 -1.392 0.834 1.00 22.08 O HETATM 2300 O HOH 239 27.310 7.437 -7.901 1.00 36.78 O HETATM 2301 O HOH 240 11.629 9.133 23.208 1.00 37.22 O HETATM 2302 O HOH 241 32.402 -11.529 22.135 1.00 49.64 O HETATM 2303 O HOH 242 -1.711 0.782 -8.215 1.00 24.99 O HETATM 2304 O HOH 243 -0.804 -2.607 18.607 1.00 36.18 O HETATM 2305 O HOH 244 6.041 -12.684 20.384 1.00 29.24 O HETATM 2306 O HOH 245 16.265 -4.854 -9.117 1.00 42.47 O HETATM 2307 O HOH 246 25.840 7.768 18.663 1.00 28.26 O HETATM 2308 O HOH 247 28.598 7.641 19.956 1.00 46.51 O HETATM 2309 O HOH 248 26.102 9.696 22.595 1.00 34.62 O HETATM 2310 O HOH 249 25.774 4.321 26.485 1.00 37.65 O HETATM 2311 O HOH 250 35.156 -8.413 12.357 1.00 36.60 O HETATM 2312 O HOH 251 30.662 -5.126 1.432 1.00 43.13 O HETATM 2313 O HOH 252 -4.859 1.668 -5.648 1.00 23.32 O HETATM 2314 O HOH 253 25.978 5.118 -9.117 1.00 24.99 O HETATM 2315 O HOH 254 1.046 -15.409 -2.222 1.00 36.89 O HETATM 2316 O HOH 255 -0.028 -11.890 -0.325 1.00 39.50 O HETATM 2317 O HOH 256 5.160 15.961 -0.115 1.00 36.02 O HETATM 2318 O HOH 257 22.250 -20.098 16.701 1.00 32.03 O HETATM 2319 O HOH 258 31.762 2.731 11.876 1.00 24.91 O HETATM 2320 O HOH 259 -8.221 -3.508 0.587 1.00 39.39 O HETATM 2321 O HOH 260 29.608 -5.802 19.827 1.00 14.20 O HETATM 2322 O HOH 261 10.118 -0.003 -10.028 1.00 45.36 O HETATM 2323 O HOH 262 4.545 10.274 10.059 1.00 33.02 O HETATM 2324 O HOH 263 33.454 -4.982 4.602 1.00 42.78 O HETATM 2325 O HOH 264 -7.685 9.480 4.678 1.00 32.45 O HETATM 2326 O HOH 265 6.608 -18.116 -6.070 1.00 29.68 O HETATM 2327 O HOH 266 32.316 -11.445 14.327 1.00 36.32 O HETATM 2328 O HOH 267 25.789 -17.506 16.109 1.00 41.23 O HETATM 2329 O HOH 268 24.428 11.250 24.919 1.00 40.64 O HETATM 2330 O HOH 269 24.697 12.591 13.802 1.00 17.42 O HETATM 2331 O HOH 270 9.813 -18.465 3.858 1.00 56.70 O HETATM 2332 O HOH 271 29.943 -12.143 -0.594 1.00 38.51 O HETATM 2333 O HOH 272 -8.703 -1.005 -3.571 1.00 55.10 O HETATM 2334 O HOH 273 10.189 -17.493 20.846 1.00 43.41 O HETATM 2335 O HOH 274 -11.197 9.503 4.438 1.00 39.76 O HETATM 2336 O HOH 275 -3.621 -14.358 2.685 1.00 45.46 O HETATM 2337 O HOH 276 27.315 -15.809 2.687 1.00 21.30 O HETATM 2338 O HOH 277 29.722 -4.033 -1.954 1.00 44.38 O HETATM 2339 O HOH 278 -0.787 -5.261 -5.380 1.00 28.00 O HETATM 2340 O HOH 279 11.082 -7.410 -7.860 1.00 39.44 O HETATM 2341 O HOH 280 25.934 -15.529 14.535 1.00 36.99 O HETATM 2342 O HOH 281 29.068 -13.597 8.304 1.00 40.02 O HETATM 2343 O HOH 282 10.806 -18.126 -5.167 1.00 34.07 O HETATM 2344 O HOH 283 25.607 10.027 17.424 1.00 25.49 O HETATM 2345 O HOH 284 13.924 15.250 -5.759 1.00 46.97 O HETATM 2346 O HOH 285 -1.421 -15.020 3.343 1.00 43.36 O HETATM 2347 O HOH 286 26.278 -3.709 -5.609 1.00 37.91 O HETATM 2348 O HOH 287 31.360 -7.792 20.512 1.00 31.04 O HETATM 2349 O HOH 288 3.856 -12.883 10.218 1.00 42.64 O HETATM 2350 O HOH 289 29.482 -5.944 27.655 1.00 43.33 O HETATM 2351 O HOH 290 9.275 8.775 17.635 1.00 35.48 O HETATM 2352 O HOH 291 15.770 7.298 -8.455 1.00 50.81 O HETATM 2353 O HOH 292 13.140 -6.451 31.241 1.00 42.46 O HETATM 2354 O HOH 293 23.691 -15.588 0.268 1.00 39.22 O HETATM 2355 O HOH 294 32.272 0.903 13.914 1.00 17.80 O HETATM 2356 O HOH 295 23.642 21.721 9.723 1.00 34.89 O HETATM 2357 O HOH 296 28.605 -14.288 13.559 1.00 36.47 O HETATM 2358 O HOH 297 -5.455 -2.553 4.172 1.00 37.09 O HETATM 2359 O HOH 298 34.267 -5.869 16.265 1.00 32.08 O HETATM 2360 O HOH 299 5.133 -9.217 25.547 1.00 40.40 O HETATM 2361 O HOH 300 8.957 12.600 11.787 1.00 55.55 O HETATM 2362 O HOH 301 29.704 -10.820 18.182 1.00 21.61 O HETATM 2363 O HOH 302 33.529 -2.865 16.110 1.00 29.47 O HETATM 2364 O HOH 303 31.220 -14.550 10.761 1.00 40.78 O HETATM 2365 O HOH 304 -4.968 -2.791 -4.153 1.00 22.03 O HETATM 2366 O HOH 305 4.166 -10.281 23.509 1.00 40.16 O HETATM 2367 O HOH 306 23.734 15.999 11.898 1.00 26.00 O HETATM 2368 O HOH 307 -0.162 -1.590 -8.105 1.00 27.99 O HETATM 2369 O HOH 308 27.761 -6.869 16.783 1.00 12.25 O HETATM 2370 O HOH 309 -7.299 -3.415 -2.783 1.00 33.81 O HETATM 2371 O HOH 310 -1.979 -8.377 -2.457 1.00 26.77 O HETATM 2372 O HOH 311 30.156 -5.374 17.149 1.00 15.37 O HETATM 2373 O HOH 312 9.864 -15.635 26.387 1.00 23.01 O HETATM 2374 O HOH 313 9.142 -18.392 -7.577 1.00 35.49 O HETATM 2375 O HOH 314 -5.618 -6.506 18.571 1.00 42.18 O HETATM 2376 O HOH 315 16.394 -16.660 -11.267 1.00 21.64 O HETATM 2377 O HOH 316 28.452 -0.386 -4.619 1.00 18.97 O HETATM 2378 O HOH 317 30.088 -14.670 20.853 1.00 45.09 O HETATM 2379 O HOH 318 30.813 -2.729 16.601 1.00 15.23 O HETATM 2380 O HOH 319 23.735 -15.310 -3.619 1.00 41.91 O HETATM 2381 O HOH 320 4.723 -11.699 26.033 1.00 44.62 O HETATM 2382 O HOH 321 2.443 8.146 19.500 1.00 52.37 O HETATM 2383 O HOH 322 27.548 -16.833 21.812 1.00 46.01 O HETATM 2384 O HOH 323 -8.783 2.539 16.072 1.00 32.07 O HETATM 2385 O HOH 324 9.583 -13.348 27.831 1.00 45.10 O HETATM 2386 O HOH 325 4.679 -13.391 23.448 1.00 41.36 O HETATM 2387 O HOH 326 -5.677 -13.359 4.540 1.00 40.80 O HETATM 2388 O HOH 327 31.957 -9.172 18.063 1.00 23.76 O HETATM 2389 O HOH 328 30.923 -13.111 17.713 1.00 35.69 O HETATM 2390 O HOH 329 -6.869 -12.934 6.458 1.00 39.71 O HETATM 2391 O HOH 330 7.452 -12.059 28.738 1.00 43.36 O HETATM 2392 O HOH 331 -1.629 -3.447 -8.182 1.00 38.75 O HETATM 2393 O HOH 332 -4.798 -2.867 -6.982 1.00 39.06 O HETATM 2394 O HOH 333 34.336 -10.546 18.086 1.00 51.57 O HETATM 2395 O HOH 334 29.928 0.814 -6.892 1.00 34.98 O HETATM 2396 C01 GTV A 335 14.434 15.144 0.706 1.00 -0.03 C HETATM 2397 C02 GTV A 335 14.373 14.222 1.921 1.00 -0.05 C HETATM 2398 C03 GTV A 335 14.988 13.015 1.833 1.00 -0.06 C HETATM 2399 C04 GTV A 335 14.976 12.122 2.872 1.00 -0.04 C HETATM 2400 C05 GTV A 335 15.723 10.846 2.502 1.00 -0.03 C HETATM 2401 H5 GTV A 335 16.132 10.942 1.485 1.00 0.04 H HETATM 2402 H6 GTV A 335 15.031 9.992 2.539 1.00 0.04 H HETATM 2403 H7 GTV A 335 16.545 10.683 3.214 1.00 0.04 H HETATM 2404 C06 GTV A 335 14.293 12.445 4.074 1.00 0.03 C HETATM 2405 C07 GTV A 335 14.172 11.596 5.218 1.00 -0.01 C HETATM 2406 C08 GTV A 335 14.592 10.126 5.201 1.00 0.06 C HETATM 2407 P09 GTV A 335 13.182 9.060 4.548 1.00 0.07 P HETATM 2408 O10 GTV A 335 12.141 9.062 5.465 1.00 -0.56 O HETATM 2409 O11 GTV A 335 13.703 7.681 4.344 1.00 -0.56 O HETATM 2410 O12 GTV A 335 12.620 9.620 3.267 1.00 -0.56 O HETATM 2411 H8 GTV A 335 14.846 9.808 6.223 1.00 0.07 H HETATM 2412 H9 GTV A 335 15.471 10.006 4.551 1.00 0.07 H HETATM 2413 C13 GTV A 335 13.452 12.028 6.281 1.00 0.01 C HETATM 2414 C14 GTV A 335 12.976 13.323 6.338 1.00 0.24 C HETATM 2415 O15 GTV A 335 12.433 13.690 7.280 1.00 -0.39 O HETATM 2416 O16 GTV A 335 13.085 14.021 5.252 1.00 -0.22 O HETATM 2417 C17 GTV A 335 13.704 13.654 4.153 1.00 0.13 C HETATM 2418 C18 GTV A 335 13.736 14.561 3.071 1.00 -0.03 C HETATM 2419 H11 GTV A 335 13.252 15.527 3.159 1.00 0.04 H HETATM 2420 H10 GTV A 335 13.245 11.344 7.103 1.00 0.04 H HETATM 2421 H4 GTV A 335 15.502 12.751 0.916 1.00 0.04 H HETATM 2422 H1 GTV A 335 15.001 14.653 -0.099 1.00 0.04 H HETATM 2423 H2 GTV A 335 14.932 16.085 0.984 1.00 0.04 H HETATM 2424 H3 GTV A 335 13.413 15.359 0.357 1.00 0.04 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 1494 1867 CONECT 2396 2397 2422 2423 2424 CONECT 2397 2396 2398 2418 CONECT 2398 2397 2399 2421 CONECT 2399 2398 2400 2404 CONECT 2400 2399 2401 2402 2403 CONECT 2401 2400 CONECT 2402 2400 CONECT 2403 2400 CONECT 2404 2399 2405 2417 CONECT 2405 2404 2406 2413 CONECT 2406 2405 2407 2411 2412 CONECT 2407 2406 2408 2409 2410 CONECT 2408 2407 CONECT 2409 2407 CONECT 2410 2407 CONECT 2411 2406 CONECT 2412 2406 CONECT 2413 2405 2414 2420 CONECT 2414 2413 2415 2416 CONECT 2415 2414 CONECT 2416 2414 2417 CONECT 2417 2404 2416 2418 CONECT 2418 2397 2417 2419 CONECT 2419 2418 CONECT 2420 2413 CONECT 2421 2398 CONECT 2422 2396 CONECT 2423 2396 CONECT 2424 2396 MASTER 0 0 0 0 0 0 0 0 2423 1 40 18 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4exs
RCSB PDB
PDBbind
272aa, >4EXS_1|Chains... *
5a5z
RCSB PDB
PDBbind
251aa, >5A5Z_1|Chains... at 96%
6rmf
RCSB PDB
PDBbind
244aa, >6RMF_1|Chains... at 99%
6q2y
RCSB PDB
PDBbind
244aa, >6Q2Y_1|Chains... at 100%
6q30
RCSB PDB
PDBbind
244aa, >6Q30_1|Chains... at 100%
6ovz
RCSB PDB
PDBbind
235aa, >6OVZ_1|Chains... at 100%
6mdu
RCSB PDB
PDBbind
233aa, >6MDU_1|Chain... at 98%
6ibv
RCSB PDB
PDBbind
244aa, >6IBV_1|Chains... at 100%
6ibs
RCSB PDB
PDBbind
244aa, >6IBS_1|Chains... at 100%
6efj
RCSB PDB
PDBbind
233aa, >6EFJ_1|Chain... at 98%
6d1k
RCSB PDB
PDBbind
233aa, >6D1K_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1h
RCSB PDB
PDBbind
233aa, >6D1H_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
233aa, >6D1B_1|Chain... at 98%
6d1a
RCSB PDB
PDBbind
233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6d18
RCSB PDB
PDBbind
GTV
Entry Information
PDB ID
6d1d
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
GTV
EC.Number
E.C.3.5.2.6
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=33.8uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
2
H
1
4
O
5
P
Molecular Weight
269.210
Exact Mass
269.058
No. of atoms
32
No. of bonds
33
Polar Surface Area
104.49
LOGP Value
0.00 (
Computed with XLOGP3
)
1.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
Cc1cc(C)c2c(c1)oc(=O)cc2CP(O)(O)O
InChI String
InChI=1S/C12H15O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5,14-16,18H,6H2,1-2H3
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):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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