Browse entries in the PDBbind-CN Database
HEADER 6E8M_COMPLEX COMPND 6E8M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 157 SER LYS ILE PRO ILE ILE PHE GLY LEU ILE ASN SER TYR SEQRES 2 A 157 GLN ILE HIS ASN LEU LEU GLU GLN HIS ASN ALA LYS THR SEQRES 3 A 157 LYS GLU SER LYS ALA VAL PHE LEU ILE ARG ASP SER SER SEQRES 4 A 157 THR TYR PRO GLY LEU LEU THR ILE SER TYR TYR CYS GLN SEQRES 5 A 157 GLU GLN ASP ILE VAL LYS HIS ILE ARG PHE GLY LEU THR SEQRES 6 A 157 ASP LYS GLY TRP LYS THR ALA PRO LYS PRO PRO HIS GLU SEQRES 7 A 157 PRO LEU LYS SER ASP SER PRO GLU ILE LYS GLU LYS TYR SEQRES 8 A 157 THR LEU ASP LYS ILE LYS PHE GLU ARG LYS MET LYS GLN SEQRES 9 A 157 PHE ILE ASN THR ALA LYS LYS LEU PHE GLU GLN HIS ILE SEQRES 10 A 157 ARG ALA GLU SER PHE LYS THR LEU ILE MET GLU LEU LYS SEQRES 11 A 157 ILE HIS GLU PHE ASN LEU GLU GLY LEU ILE LYS PRO THR SEQRES 12 A 157 ARG SER GLN ALA SER GLN GLU LYS HIS PHE THR ASP TYR SEQRES 13 A 157 VAL HET ALA A 304 37 ATOM 1 N SER A 11 8.100 53.104 9.103 1.00 42.48 N ATOM 2 CA SER A 11 7.871 52.541 10.440 1.00 39.98 C ATOM 3 C SER A 11 7.313 51.109 10.435 1.00 40.25 C ATOM 4 O SER A 11 6.931 50.576 11.493 1.00 35.27 O ATOM 5 CB SER A 11 6.934 53.464 11.231 1.00 41.87 C ATOM 6 OG SER A 11 5.692 53.644 10.570 1.00 43.20 O ATOM 7 HG SER A 11 5.117 54.243 11.109 1.00 0.00 H ATOM 8 HN3 SER A 11 7.201 53.128 8.580 1.00 0.00 H ATOM 9 HN2 SER A 11 8.785 52.511 8.591 1.00 0.00 H ATOM 10 HN1 SER A 11 8.476 54.069 9.194 1.00 0.00 H ATOM 11 N LYS A 12 7.301 50.466 9.267 1.00 39.11 N ATOM 12 CA LYS A 12 6.653 49.164 9.127 1.00 33.35 C ATOM 13 C LYS A 12 7.448 48.042 9.796 1.00 32.97 C ATOM 14 O LYS A 12 8.682 47.991 9.736 1.00 32.43 O ATOM 15 CB LYS A 12 6.440 48.844 7.644 1.00 35.77 C ATOM 16 CG LYS A 12 6.271 50.086 6.785 1.00 47.71 C ATOM 17 CD LYS A 12 5.766 49.742 5.392 1.00 55.86 C ATOM 18 CE LYS A 12 5.702 50.989 4.513 1.00 63.64 C ATOM 19 NZ LYS A 12 4.967 50.750 3.242 1.00 69.02 N ATOM 20 HZ1 LYS A 12 5.445 50.000 2.702 1.00 0.00 H ATOM 21 HZ2 LYS A 12 3.992 50.457 3.456 1.00 0.00 H ATOM 22 HZ3 LYS A 12 4.952 51.626 2.682 1.00 0.00 H ATOM 23 H LYS A 12 7.761 50.899 8.441 1.00 0.00 H ATOM 24 N ILE A 13 6.725 47.126 10.421 1.00 25.09 N ATOM 25 CA ILE A 13 7.313 46.021 11.170 1.00 22.52 C ATOM 26 C ILE A 13 7.340 44.795 10.264 1.00 24.55 C ATOM 27 O ILE A 13 6.326 44.506 9.606 1.00 23.28 O ATOM 28 CB ILE A 13 6.512 45.722 12.446 1.00 22.20 C ATOM 29 CG1 ILE A 13 6.448 46.965 13.336 1.00 27.65 C ATOM 30 CG2 ILE A 13 7.117 44.546 13.187 1.00 23.45 C ATOM 31 CD1 ILE A 13 5.325 46.909 14.353 1.00 27.61 C ATOM 32 H ILE A 13 5.688 47.198 10.376 1.00 0.00 H ATOM 33 N PRO A 14 8.444 44.056 10.204 1.00 22.65 N ATOM 34 CA PRO A 14 8.452 42.844 9.387 1.00 20.57 C ATOM 35 C PRO A 14 7.439 41.844 9.914 1.00 24.56 C ATOM 36 O PRO A 14 7.052 41.870 11.084 1.00 20.61 O ATOM 37 CB PRO A 14 9.887 42.325 9.536 1.00 25.17 C ATOM 38 CG PRO A 14 10.687 43.552 9.839 1.00 24.91 C ATOM 39 CD PRO A 14 9.778 44.347 10.755 1.00 25.64 C ATOM 40 N ILE A 15 6.988 40.957 9.016 1.00 21.34 N ATOM 41 CA ILE A 15 6.039 39.914 9.399 1.00 20.61 C ATOM 42 C ILE A 15 6.719 38.677 9.966 1.00 17.86 C ATOM 43 O ILE A 15 6.023 37.704 10.297 1.00 19.57 O ATOM 44 CB ILE A 15 5.145 39.511 8.208 1.00 26.30 C ATOM 45 CG1 ILE A 15 5.985 38.860 7.100 1.00 22.85 C ATOM 46 CG2 ILE A 15 4.392 40.727 7.690 1.00 31.97 C ATOM 47 CD1 ILE A 15 5.149 38.153 6.038 1.00 29.23 C ATOM 48 H ILE A 15 7.319 41.012 8.031 1.00 0.00 H ATOM 49 N ILE A 16 8.051 38.685 10.087 1.00 16.07 N ATOM 50 CA ILE A 16 8.850 37.542 10.524 1.00 15.22 C ATOM 51 C ILE A 16 9.230 37.753 11.982 1.00 17.32 C ATOM 52 O ILE A 16 9.763 38.811 12.337 1.00 19.25 O ATOM 53 CB ILE A 16 10.126 37.398 9.674 1.00 18.02 C ATOM 54 CG1 ILE A 16 9.820 37.403 8.166 1.00 19.73 C ATOM 55 CG2 ILE A 16 10.939 36.155 10.104 1.00 20.31 C ATOM 56 CD1 ILE A 16 8.981 36.226 7.688 1.00 20.31 C ATOM 57 H ILE A 16 8.553 39.566 9.854 1.00 0.00 H ATOM 58 N PHE A 17 8.992 36.741 12.823 1.00 15.47 N ATOM 59 CA PHE A 17 9.473 36.793 14.202 1.00 16.25 C ATOM 60 C PHE A 17 10.967 36.516 14.268 1.00 16.68 C ATOM 61 O PHE A 17 11.522 35.760 13.459 1.00 16.58 O ATOM 62 CB PHE A 17 8.764 35.753 15.083 1.00 16.33 C ATOM 63 CG PHE A 17 7.400 36.157 15.554 1.00 16.96 C ATOM 64 CD1 PHE A 17 6.289 35.958 14.756 1.00 18.67 C ATOM 65 CD2 PHE A 17 7.219 36.683 16.837 1.00 15.44 C ATOM 66 CE1 PHE A 17 5.023 36.303 15.206 1.00 19.68 C ATOM 67 CE2 PHE A 17 5.962 37.025 17.295 1.00 20.49 C ATOM 68 CZ PHE A 17 4.853 36.839 16.463 1.00 19.10 C ATOM 69 H PHE A 17 8.460 35.910 12.493 1.00 0.00 H ATOM 70 N GLY A 18 11.611 37.079 15.290 1.00 18.62 N ATOM 71 CA GLY A 18 12.974 36.718 15.627 1.00 20.18 C ATOM 72 C GLY A 18 13.012 35.448 16.451 1.00 21.30 C ATOM 73 O GLY A 18 12.104 34.615 16.410 1.00 19.83 O ATOM 74 H GLY A 18 11.122 37.797 15.862 1.00 0.00 H ATOM 75 N LEU A 19 14.087 35.303 17.217 1.00 21.29 N ATOM 76 CA LEU A 19 14.290 34.088 17.998 1.00 20.64 C ATOM 77 C LEU A 19 13.376 34.042 19.210 1.00 28.42 C ATOM 78 O LEU A 19 13.698 34.590 20.268 1.00 38.34 O ATOM 79 CB LEU A 19 15.746 33.997 18.423 1.00 20.06 C ATOM 80 CG LEU A 19 16.651 33.835 17.216 1.00 22.77 C ATOM 81 CD1 LEU A 19 18.099 34.089 17.589 1.00 23.23 C ATOM 82 CD2 LEU A 19 16.452 32.424 16.669 1.00 21.49 C ATOM 83 H LEU A 19 14.793 36.065 17.261 1.00 0.00 H ATOM 84 N ILE A 20 12.241 33.376 19.082 1.00 22.96 N ATOM 85 CA ILE A 20 11.283 33.341 20.169 1.00 24.55 C ATOM 86 C ILE A 20 11.315 31.953 20.792 1.00 25.00 C ATOM 87 O ILE A 20 11.673 30.957 20.150 1.00 26.40 O ATOM 88 CB ILE A 20 9.868 33.735 19.703 1.00 23.36 C ATOM 89 CG1 ILE A 20 9.425 32.899 18.503 1.00 22.30 C ATOM 90 CG2 ILE A 20 9.816 35.225 19.360 1.00 22.36 C ATOM 91 CD1 ILE A 20 7.985 33.191 18.116 1.00 24.69 C ATOM 92 H ILE A 20 12.034 32.874 18.195 1.00 0.00 H ATOM 93 N ASN A 21 10.937 31.888 22.067 1.00 23.86 N ATOM 94 CA ASN A 21 11.047 30.634 22.788 1.00 20.93 C ATOM 95 C ASN A 21 9.776 29.799 22.627 1.00 23.79 C ATOM 96 O ASN A 21 8.741 30.278 22.160 1.00 24.10 O ATOM 97 CB ASN A 21 11.387 30.887 24.268 1.00 23.91 C ATOM 98 CG ASN A 21 10.285 31.616 25.015 1.00 29.88 C ATOM 99 OD1 ASN A 21 9.198 31.087 25.195 1.00 28.50 O ATOM 100 ND2 ASN A 21 10.573 32.835 25.473 1.00 29.81 N ATOM 101 HD22 ASN A 21 11.511 33.248 25.297 1.00 0.00 H ATOM 102 HD21 ASN A 21 9.860 33.372 26.006 1.00 0.00 H ATOM 103 H ASN A 21 10.564 32.733 22.544 1.00 0.00 H ATOM 104 N SER A 22 9.881 28.518 23.005 1.00 23.37 N ATOM 105 CA SER A 22 8.780 27.573 22.819 1.00 24.73 C ATOM 106 C SER A 22 7.529 27.978 23.590 1.00 21.22 C ATOM 107 O SER A 22 6.405 27.771 23.113 1.00 21.84 O ATOM 108 CB SER A 22 9.211 26.171 23.246 1.00 32.75 C ATOM 109 OG SER A 22 10.160 25.625 22.352 1.00 51.52 O ATOM 110 HG SER A 22 9.764 25.569 21.446 1.00 0.00 H ATOM 111 H SER A 22 10.766 28.188 23.441 1.00 0.00 H ATOM 112 N TYR A 23 7.699 28.488 24.810 1.00 20.55 N ATOM 113 CA TYR A 23 6.553 28.934 25.595 1.00 21.30 C ATOM 114 C TYR A 23 5.811 30.046 24.868 1.00 17.90 C ATOM 115 O TYR A 23 4.581 30.012 24.744 1.00 23.56 O ATOM 116 CB TYR A 23 7.027 29.368 26.987 1.00 25.32 C ATOM 117 CG TYR A 23 5.950 29.629 28.003 1.00 22.76 C ATOM 118 CD1 TYR A 23 5.246 28.583 28.593 1.00 24.44 C ATOM 119 CD2 TYR A 23 5.661 30.910 28.404 1.00 26.28 C ATOM 120 CE1 TYR A 23 4.268 28.827 29.555 1.00 26.50 C ATOM 121 CE2 TYR A 23 4.693 31.162 29.360 1.00 27.25 C ATOM 122 CZ TYR A 23 3.992 30.126 29.921 1.00 34.91 C ATOM 123 OH TYR A 23 3.030 30.391 30.875 1.00 34.72 O ATOM 124 HH TYR A 23 2.621 29.541 31.175 1.00 0.00 H ATOM 125 H TYR A 23 8.657 28.569 25.206 1.00 0.00 H ATOM 126 N GLN A 24 6.555 31.027 24.352 1.00 19.59 N ATOM 127 CA GLN A 24 5.963 32.138 23.612 1.00 23.37 C ATOM 128 C GLN A 24 5.270 31.662 22.341 1.00 21.28 C ATOM 129 O GLN A 24 4.172 32.131 22.008 1.00 21.16 O ATOM 130 CB GLN A 24 7.050 33.149 23.282 1.00 22.76 C ATOM 131 CG GLN A 24 6.559 34.443 22.660 1.00 24.42 C ATOM 132 CD GLN A 24 7.707 35.424 22.505 1.00 27.01 C ATOM 133 OE1 GLN A 24 8.854 35.096 22.822 1.00 31.40 O ATOM 134 NE2 GLN A 24 7.414 36.616 22.025 1.00 31.20 N ATOM 135 HE22 GLN A 24 6.432 36.848 21.771 1.00 0.00 H ATOM 136 HE21 GLN A 24 8.164 37.325 21.900 1.00 0.00 H ATOM 137 H GLN A 24 7.587 30.999 24.481 1.00 0.00 H ATOM 138 N ILE A 25 5.896 30.738 21.615 1.00 16.27 N ATOM 139 CA ILE A 25 5.279 30.200 20.399 1.00 18.74 C ATOM 140 C ILE A 25 3.927 29.570 20.727 1.00 19.92 C ATOM 141 O ILE A 25 2.922 29.826 20.046 1.00 20.35 O ATOM 142 CB ILE A 25 6.209 29.185 19.712 1.00 17.05 C ATOM 143 CG1 ILE A 25 7.456 29.887 19.162 1.00 23.24 C ATOM 144 CG2 ILE A 25 5.445 28.488 18.554 1.00 19.87 C ATOM 145 CD1 ILE A 25 8.585 28.947 18.850 1.00 22.50 C ATOM 146 H ILE A 25 6.831 30.395 21.913 1.00 0.00 H ATOM 147 N HIS A 26 3.873 28.750 21.777 1.00 20.59 N ATOM 148 CA HIS A 26 2.605 28.113 22.128 1.00 23.53 C ATOM 149 C HIS A 26 1.571 29.154 22.547 1.00 21.21 C ATOM 150 O HIS A 26 0.415 29.114 22.102 1.00 22.71 O ATOM 151 CB HIS A 26 2.825 27.075 23.231 1.00 28.27 C ATOM 152 CG HIS A 26 1.558 26.476 23.759 1.00 41.85 C ATOM 153 ND1 HIS A 26 0.828 27.054 24.777 1.00 44.99 N ATOM 154 CD2 HIS A 26 0.892 25.350 23.410 1.00 46.01 C ATOM 155 CE1 HIS A 26 -0.236 26.313 25.027 1.00 50.70 C ATOM 156 NE2 HIS A 26 -0.221 25.273 24.211 1.00 49.70 N ATOM 157 H HIS A 26 4.726 28.565 22.342 1.00 0.00 H ATOM 158 N ASN A 27 1.985 30.140 23.336 1.00 20.99 N ATOM 159 CA ASN A 27 1.039 31.147 23.803 1.00 22.20 C ATOM 160 C ASN A 27 0.552 32.031 22.661 1.00 20.06 C ATOM 161 O ASN A 27 -0.616 32.441 22.650 1.00 26.24 O ATOM 162 CB ASN A 27 1.677 31.983 24.913 1.00 21.02 C ATOM 163 CG ASN A 27 1.817 31.211 26.196 1.00 28.75 C ATOM 164 OD1 ASN A 27 1.006 30.336 26.502 1.00 34.01 O ATOM 165 ND2 ASN A 27 2.861 31.508 26.948 1.00 27.63 N ATOM 166 HD22 ASN A 27 3.521 32.255 26.650 1.00 0.00 H ATOM 167 HD21 ASN A 27 3.024 30.995 27.838 1.00 0.00 H ATOM 168 H ASN A 27 2.984 30.194 23.621 1.00 0.00 H ATOM 169 N LEU A 28 1.417 32.330 21.683 1.00 20.78 N ATOM 170 CA LEU A 28 0.951 33.098 20.529 1.00 19.69 C ATOM 171 C LEU A 28 -0.082 32.313 19.736 1.00 19.89 C ATOM 172 O LEU A 28 -1.116 32.868 19.345 1.00 19.42 O ATOM 173 CB LEU A 28 2.118 33.511 19.623 1.00 17.75 C ATOM 174 CG LEU A 28 2.985 34.677 20.086 1.00 18.43 C ATOM 175 CD1 LEU A 28 4.390 34.600 19.447 1.00 19.09 C ATOM 176 CD2 LEU A 28 2.326 36.023 19.811 1.00 29.21 C ATOM 177 H LEU A 28 2.408 32.020 21.744 1.00 0.00 H ATOM 178 N LEU A 29 0.158 31.014 19.501 1.00 18.42 N ATOM 179 CA LEU A 29 -0.822 30.230 18.752 1.00 17.37 C ATOM 180 C LEU A 29 -2.141 30.135 19.512 1.00 19.58 C ATOM 181 O LEU A 29 -3.221 30.251 18.915 1.00 25.63 O ATOM 182 CB LEU A 29 -0.263 28.835 18.441 1.00 18.40 C ATOM 183 CG LEU A 29 0.892 28.879 17.425 1.00 18.77 C ATOM 184 CD1 LEU A 29 1.621 27.525 17.347 1.00 22.24 C ATOM 185 CD2 LEU A 29 0.404 29.285 16.042 1.00 23.58 C ATOM 186 H LEU A 29 1.032 30.570 19.848 1.00 0.00 H ATOM 187 N GLU A 30 -2.075 29.969 20.833 1.00 20.73 N ATOM 188 CA GLU A 30 -3.303 29.861 21.614 1.00 25.96 C ATOM 189 C GLU A 30 -4.040 31.195 21.675 1.00 26.36 C ATOM 190 O GLU A 30 -5.272 31.227 21.606 1.00 29.11 O ATOM 191 CB GLU A 30 -2.976 29.338 23.013 1.00 26.41 C ATOM 192 CG GLU A 30 -4.014 28.393 23.577 1.00 40.53 C ATOM 193 CD GLU A 30 -3.473 27.575 24.720 1.00 51.32 C ATOM 194 OE1 GLU A 30 -3.261 28.136 25.812 1.00 57.99 O ATOM 195 OE2 GLU A 30 -3.247 26.367 24.516 1.00 58.24 O ATOM 196 H GLU A 30 -1.150 29.917 21.306 1.00 0.00 H ATOM 197 N GLN A 31 -3.302 32.312 21.753 1.00 23.01 N ATOM 198 CA GLN A 31 -3.934 33.630 21.801 1.00 24.58 C ATOM 199 C GLN A 31 -4.760 33.896 20.549 1.00 23.35 C ATOM 200 O GLN A 31 -5.815 34.541 20.607 1.00 30.83 O ATOM 201 CB GLN A 31 -2.865 34.720 21.969 1.00 34.08 C ATOM 202 CG GLN A 31 -3.428 36.140 22.052 1.00 45.26 C ATOM 203 CD GLN A 31 -2.389 37.227 21.776 1.00 52.59 C ATOM 204 OE1 GLN A 31 -1.199 36.948 21.606 1.00 50.22 O ATOM 205 NE2 GLN A 31 -2.843 38.476 21.732 1.00 56.48 N ATOM 206 HE22 GLN A 31 -3.854 38.667 21.881 1.00 0.00 H ATOM 207 HE21 GLN A 31 -2.187 39.262 21.549 1.00 0.00 H ATOM 208 H GLN A 31 -2.265 32.240 21.780 1.00 0.00 H ATOM 209 N HIS A 32 -4.280 33.420 19.402 1.00 23.21 N ATOM 210 CA HIS A 32 -4.972 33.566 18.136 1.00 22.42 C ATOM 211 C HIS A 32 -5.869 32.381 17.833 1.00 28.53 C ATOM 212 O HIS A 32 -6.205 32.143 16.666 1.00 26.46 O ATOM 213 CB HIS A 32 -3.939 33.805 17.036 1.00 20.82 C ATOM 214 CG HIS A 32 -3.209 35.098 17.215 1.00 23.73 C ATOM 215 ND1 HIS A 32 -3.621 36.268 16.613 1.00 30.94 N ATOM 216 CD2 HIS A 32 -2.155 35.427 17.997 1.00 22.00 C ATOM 217 CE1 HIS A 32 -2.822 37.254 16.980 1.00 32.45 C ATOM 218 NE2 HIS A 32 -1.927 36.773 17.821 1.00 29.80 N ATOM 219 H HIS A 32 -3.368 32.921 19.415 1.00 0.00 H ATOM 220 N ASN A 33 -6.260 31.640 18.872 1.00 26.31 N ATOM 221 CA ASN A 33 -7.307 30.626 18.800 1.00 26.24 C ATOM 222 C ASN A 33 -6.951 29.499 17.834 1.00 26.50 C ATOM 223 O ASN A 33 -7.827 28.908 17.202 1.00 25.49 O ATOM 224 CB ASN A 33 -8.645 31.273 18.445 1.00 27.45 C ATOM 225 CG ASN A 33 -9.045 32.313 19.460 1.00 33.22 C ATOM 226 OD1 ASN A 33 -9.337 31.983 20.602 1.00 38.23 O ATOM 227 ND2 ASN A 33 -8.994 33.584 19.072 1.00 36.68 N ATOM 228 HD22 ASN A 33 -8.741 33.818 18.091 1.00 0.00 H ATOM 229 HD21 ASN A 33 -9.207 34.344 19.750 1.00 0.00 H ATOM 230 H ASN A 33 -5.791 31.794 19.787 1.00 0.00 H ATOM 231 N ALA A 34 -5.665 29.161 17.746 1.00 24.32 N ATOM 232 CA ALA A 34 -5.260 28.074 16.862 1.00 21.12 C ATOM 233 C ALA A 34 -5.936 26.769 17.231 1.00 23.17 C ATOM 234 O ALA A 34 -6.170 25.929 16.359 1.00 26.34 O ATOM 235 CB ALA A 34 -3.740 27.893 16.884 1.00 22.66 C ATOM 236 H ALA A 34 -4.952 29.671 18.306 1.00 0.00 H ATOM 237 N LYS A 35 -6.253 26.571 18.501 1.00 20.97 N ATOM 238 CA LYS A 35 -6.784 25.282 18.922 1.00 22.92 C ATOM 239 C LYS A 35 -8.280 25.140 18.688 1.00 26.72 C ATOM 240 O LYS A 35 -8.824 24.058 18.929 1.00 29.89 O ATOM 241 CB LYS A 35 -6.454 25.039 20.395 1.00 31.06 C ATOM 242 CG LYS A 35 -4.953 25.022 20.666 1.00 28.86 C ATOM 243 CD LYS A 35 -4.637 24.253 21.954 1.00 33.37 C ATOM 244 CE LYS A 35 -3.142 24.249 22.183 1.00 37.14 C ATOM 245 NZ LYS A 35 -2.804 24.026 23.607 1.00 40.78 N ATOM 246 HZ1 LYS A 35 -3.221 24.784 24.184 1.00 0.00 H ATOM 247 HZ2 LYS A 35 -3.184 23.107 23.912 1.00 0.00 H ATOM 248 HZ3 LYS A 35 -1.770 24.030 23.721 1.00 0.00 H ATOM 249 H LYS A 35 -6.123 27.334 19.196 1.00 0.00 H ATOM 250 N THR A 36 -8.967 26.184 18.227 1.00 27.96 N ATOM 251 CA THR A 36 -10.363 26.042 17.827 1.00 29.16 C ATOM 252 C THR A 36 -10.536 26.242 16.330 1.00 21.51 C ATOM 253 O THR A 36 -11.665 26.431 15.854 1.00 29.17 O ATOM 254 CB THR A 36 -11.274 27.005 18.593 1.00 34.73 C ATOM 255 OG1 THR A 36 -10.872 28.356 18.345 1.00 32.62 O ATOM 256 CG2 THR A 36 -11.239 26.710 20.086 1.00 40.32 C ATOM 257 HG1 THR A 36 -9.937 28.481 18.645 1.00 0.00 H ATOM 258 H THR A 36 -8.503 27.112 18.151 1.00 0.00 H ATOM 259 N LYS A 37 -9.438 26.181 15.579 1.00 25.73 N ATOM 260 CA LYS A 37 -9.462 26.360 14.135 1.00 27.67 C ATOM 261 C LYS A 37 -8.744 25.198 13.460 1.00 30.88 C ATOM 262 O LYS A 37 -7.993 24.451 14.094 1.00 26.49 O ATOM 263 CB LYS A 37 -8.831 27.704 13.732 1.00 28.85 C ATOM 264 CG LYS A 37 -9.568 28.926 14.300 1.00 25.32 C ATOM 265 CD LYS A 37 -8.779 30.217 14.110 1.00 27.92 C ATOM 266 CE LYS A 37 -9.475 31.415 14.727 1.00 39.04 C ATOM 267 NZ LYS A 37 -8.548 32.596 14.829 1.00 40.40 N ATOM 268 HZ1 LYS A 37 -7.733 32.345 15.424 1.00 0.00 H ATOM 269 HZ2 LYS A 37 -8.218 32.859 13.879 1.00 0.00 H ATOM 270 HZ3 LYS A 37 -9.055 33.398 15.255 1.00 0.00 H ATOM 271 H LYS A 37 -8.526 25.998 16.044 1.00 0.00 H ATOM 272 N GLU A 38 -8.996 25.036 12.158 1.00 30.36 N ATOM 273 CA GLU A 38 -8.363 23.954 11.415 1.00 26.19 C ATOM 274 C GLU A 38 -6.844 24.090 11.460 1.00 21.42 C ATOM 275 O GLU A 38 -6.297 25.197 11.540 1.00 21.53 O ATOM 276 CB GLU A 38 -8.822 23.958 9.954 1.00 29.45 C ATOM 277 CG GLU A 38 -10.288 23.667 9.710 1.00 39.77 C ATOM 278 CD GLU A 38 -10.603 23.659 8.224 1.00 58.07 C ATOM 279 OE1 GLU A 38 -10.916 24.734 7.670 1.00 64.61 O ATOM 280 OE2 GLU A 38 -10.511 22.579 7.605 1.00 65.64 O ATOM 281 H GLU A 38 -9.647 25.685 11.672 1.00 0.00 H ATOM 282 N SER A 39 -6.153 22.950 11.393 1.00 20.91 N ATOM 283 CA SER A 39 -4.692 22.970 11.309 1.00 20.48 C ATOM 284 C SER A 39 -4.241 23.870 10.171 1.00 20.51 C ATOM 285 O SER A 39 -4.778 23.795 9.061 1.00 25.28 O ATOM 286 CB SER A 39 -4.151 21.557 11.078 1.00 22.86 C ATOM 287 OG SER A 39 -4.553 20.688 12.119 1.00 22.67 O ATOM 288 HG SER A 39 -4.192 19.782 11.949 1.00 0.00 H ATOM 289 H SER A 39 -6.657 22.040 11.401 1.00 0.00 H ATOM 290 N LYS A 40 -3.270 24.727 10.464 1.00 21.24 N ATOM 291 CA LYS A 40 -2.647 25.696 9.558 1.00 17.91 C ATOM 292 C LYS A 40 -3.495 26.943 9.342 1.00 20.53 C ATOM 293 O LYS A 40 -3.068 27.816 8.566 1.00 21.97 O ATOM 294 CB LYS A 40 -2.314 25.089 8.186 1.00 21.71 C ATOM 295 CG LYS A 40 -1.352 23.929 8.287 1.00 22.30 C ATOM 296 CD LYS A 40 -0.968 23.449 6.890 1.00 25.07 C ATOM 297 CE LYS A 40 0.072 22.356 6.955 1.00 30.59 C ATOM 298 NZ LYS A 40 0.344 21.829 5.576 1.00 34.60 N ATOM 299 HZ1 LYS A 40 -0.535 21.445 5.174 1.00 0.00 H ATOM 300 HZ2 LYS A 40 0.694 22.601 4.974 1.00 0.00 H ATOM 301 HZ3 LYS A 40 1.061 21.077 5.629 1.00 0.00 H ATOM 302 H LYS A 40 -2.913 24.709 11.441 1.00 0.00 H ATOM 303 N ALA A 41 -4.669 27.066 9.977 1.00 21.64 N ATOM 304 CA ALA A 41 -5.482 28.271 9.849 1.00 21.19 C ATOM 305 C ALA A 41 -4.836 29.455 10.542 1.00 21.69 C ATOM 306 O ALA A 41 -5.126 30.607 10.192 1.00 24.80 O ATOM 307 CB ALA A 41 -6.883 28.030 10.427 1.00 26.15 C ATOM 308 H ALA A 41 -5.008 26.285 10.574 1.00 0.00 H ATOM 309 N VAL A 42 -3.981 29.177 11.512 1.00 19.88 N ATOM 310 CA VAL A 42 -3.260 30.149 12.315 1.00 18.06 C ATOM 311 C VAL A 42 -1.807 29.705 12.297 1.00 15.86 C ATOM 312 O VAL A 42 -1.529 28.524 12.527 1.00 20.12 O ATOM 313 CB VAL A 42 -3.787 30.160 13.767 1.00 21.82 C ATOM 314 CG1 VAL A 42 -2.919 31.032 14.637 1.00 27.10 C ATOM 315 CG2 VAL A 42 -5.257 30.615 13.811 1.00 26.27 C ATOM 316 H VAL A 42 -3.810 28.172 11.718 1.00 0.00 H ATOM 317 N PHE A 43 -0.879 30.628 12.045 1.00 18.38 N ATOM 318 CA PHE A 43 0.519 30.215 12.009 1.00 17.01 C ATOM 319 C PHE A 43 1.398 31.443 12.186 1.00 14.90 C ATOM 320 O PHE A 43 0.930 32.582 12.077 1.00 16.99 O ATOM 321 CB PHE A 43 0.850 29.495 10.688 1.00 15.93 C ATOM 322 CG PHE A 43 0.841 30.406 9.486 1.00 16.65 C ATOM 323 CD1 PHE A 43 -0.360 30.779 8.882 1.00 19.49 C ATOM 324 CD2 PHE A 43 2.030 30.903 8.969 1.00 17.23 C ATOM 325 CE1 PHE A 43 -0.378 31.645 7.767 1.00 21.82 C ATOM 326 CE2 PHE A 43 2.020 31.751 7.862 1.00 21.57 C ATOM 327 CZ PHE A 43 0.819 32.128 7.269 1.00 22.26 C ATOM 328 H PHE A 43 -1.146 31.619 11.878 1.00 0.00 H ATOM 329 N LEU A 44 2.674 31.204 12.505 1.00 14.46 N ATOM 330 CA LEU A 44 3.655 32.274 12.531 1.00 13.77 C ATOM 331 C LEU A 44 4.921 31.834 11.810 1.00 15.63 C ATOM 332 O LEU A 44 5.172 30.645 11.605 1.00 14.08 O ATOM 333 CB LEU A 44 3.963 32.740 13.986 1.00 17.04 C ATOM 334 CG LEU A 44 4.545 31.750 14.999 1.00 16.59 C ATOM 335 CD1 LEU A 44 6.082 31.615 14.855 1.00 16.83 C ATOM 336 CD2 LEU A 44 4.215 32.211 16.407 1.00 17.92 C ATOM 337 H LEU A 44 2.969 30.235 12.739 1.00 0.00 H ATOM 338 N ILE A 45 5.719 32.819 11.423 1.00 14.55 N ATOM 339 CA ILE A 45 6.967 32.602 10.699 1.00 13.87 C ATOM 340 C ILE A 45 8.071 33.216 11.535 1.00 16.73 C ATOM 341 O ILE A 45 7.955 34.377 11.945 1.00 17.04 O ATOM 342 CB ILE A 45 6.939 33.253 9.301 1.00 14.84 C ATOM 343 CG1 ILE A 45 5.635 32.935 8.538 1.00 18.21 C ATOM 344 CG2 ILE A 45 8.182 32.841 8.505 1.00 17.97 C ATOM 345 CD1 ILE A 45 5.443 33.800 7.284 1.00 21.73 C ATOM 346 H ILE A 45 5.442 33.796 11.647 1.00 0.00 H ATOM 347 N ARG A 46 9.137 32.452 11.791 1.00 14.09 N ATOM 348 CA ARG A 46 10.190 32.943 12.672 1.00 14.35 C ATOM 349 C ARG A 46 11.550 32.512 12.151 1.00 14.89 C ATOM 350 O ARG A 46 11.674 31.549 11.393 1.00 16.26 O ATOM 351 CB ARG A 46 9.993 32.419 14.104 1.00 15.06 C ATOM 352 CG ARG A 46 10.007 30.889 14.183 1.00 14.84 C ATOM 353 CD ARG A 46 9.488 30.366 15.526 1.00 15.72 C ATOM 354 NE ARG A 46 9.399 28.915 15.530 1.00 13.92 N ATOM 355 CZ ARG A 46 10.425 28.091 15.769 1.00 16.35 C ATOM 356 NH1 ARG A 46 11.649 28.575 15.975 1.00 18.25 N ATOM 357 NH2 ARG A 46 10.239 26.783 15.763 1.00 14.97 N ATOM 358 HE ARG A 46 8.472 28.487 15.333 1.00 0.00 H ATOM 359 HH12 ARG A 46 12.440 27.926 16.160 1.00 0.00 H ATOM 360 HH11 ARG A 46 11.813 29.602 15.951 1.00 0.00 H ATOM 361 HH22 ARG A 46 11.038 26.143 15.949 1.00 0.00 H ATOM 362 HH21 ARG A 46 9.294 26.393 15.572 1.00 0.00 H ATOM 363 H ARG A 46 9.216 31.508 11.362 1.00 0.00 H ATOM 364 N ASP A 47 12.585 33.225 12.600 1.00 16.31 N ATOM 365 CA ASP A 47 13.949 32.752 12.403 1.00 16.92 C ATOM 366 C ASP A 47 14.108 31.350 12.988 1.00 17.62 C ATOM 367 O ASP A 47 13.672 31.078 14.113 1.00 19.37 O ATOM 368 CB ASP A 47 14.930 33.708 13.084 1.00 16.29 C ATOM 369 CG ASP A 47 15.003 35.070 12.423 1.00 26.19 C ATOM 370 OD1 ASP A 47 14.866 35.165 11.179 1.00 31.14 O ATOM 371 OD2 ASP A 47 15.257 36.044 13.161 1.00 29.71 O ATOM 372 H ASP A 47 12.417 34.125 13.094 1.00 0.00 H ATOM 373 N SER A 48 14.714 30.444 12.222 1.00 18.27 N ATOM 374 CA SER A 48 15.072 29.160 12.799 1.00 17.80 C ATOM 375 C SER A 48 16.074 29.351 13.931 1.00 25.32 C ATOM 376 O SER A 48 17.047 30.106 13.814 1.00 25.98 O ATOM 377 CB SER A 48 15.662 28.232 11.733 1.00 17.96 C ATOM 378 OG SER A 48 16.148 27.030 12.307 1.00 19.72 O ATOM 379 HG SER A 48 15.405 26.558 12.760 1.00 0.00 H ATOM 380 H SER A 48 14.928 30.653 11.226 1.00 0.00 H ATOM 381 N SER A 49 15.825 28.658 15.024 1.00 20.44 N ATOM 382 CA SER A 49 16.708 28.653 16.179 1.00 23.01 C ATOM 383 C SER A 49 17.769 27.568 16.102 1.00 28.33 C ATOM 384 O SER A 49 18.544 27.414 17.056 1.00 34.86 O ATOM 385 CB SER A 49 15.908 28.434 17.445 1.00 27.82 C ATOM 386 OG SER A 49 15.615 27.055 17.560 1.00 32.30 O ATOM 387 HG SER A 49 15.089 26.764 16.773 1.00 0.00 H ATOM 388 H SER A 49 14.956 28.088 15.062 1.00 0.00 H ATOM 389 N THR A 50 17.782 26.773 15.036 1.00 20.31 N ATOM 390 CA THR A 50 18.800 25.746 14.838 1.00 24.74 C ATOM 391 C THR A 50 19.711 26.029 13.656 1.00 23.28 C ATOM 392 O THR A 50 20.919 25.739 13.718 1.00 25.11 O ATOM 393 CB THR A 50 18.138 24.369 14.645 1.00 24.71 C ATOM 394 OG1 THR A 50 17.333 24.073 15.794 1.00 23.98 O ATOM 395 CG2 THR A 50 19.203 23.263 14.488 1.00 22.95 C ATOM 396 HG1 THR A 50 16.635 24.768 15.895 1.00 0.00 H ATOM 397 H THR A 50 17.039 26.887 14.317 1.00 0.00 H ATOM 398 N TYR A 51 19.167 26.617 12.591 1.00 19.39 N ATOM 399 CA TYR A 51 19.899 26.820 11.337 1.00 19.60 C ATOM 400 C TYR A 51 19.779 28.280 10.921 1.00 22.42 C ATOM 401 O TYR A 51 18.735 28.689 10.386 1.00 25.17 O ATOM 402 CB TYR A 51 19.342 25.901 10.245 1.00 20.35 C ATOM 403 CG TYR A 51 19.490 24.417 10.540 1.00 23.57 C ATOM 404 CD1 TYR A 51 20.699 23.770 10.394 1.00 25.16 C ATOM 405 CD2 TYR A 51 18.399 23.673 10.971 1.00 21.95 C ATOM 406 CE1 TYR A 51 20.828 22.419 10.682 1.00 28.52 C ATOM 407 CE2 TYR A 51 18.507 22.346 11.251 1.00 27.20 C ATOM 408 CZ TYR A 51 19.722 21.712 11.114 1.00 26.51 C ATOM 409 OH TYR A 51 19.833 20.377 11.401 1.00 30.71 O ATOM 410 HH TYR A 51 20.767 20.085 11.250 1.00 0.00 H ATOM 411 H TYR A 51 18.182 26.946 12.652 1.00 0.00 H ATOM 412 N PRO A 52 20.801 29.102 11.157 1.00 26.90 N ATOM 413 CA PRO A 52 20.714 30.505 10.734 1.00 24.50 C ATOM 414 C PRO A 52 20.511 30.608 9.227 1.00 27.24 C ATOM 415 O PRO A 52 21.073 29.835 8.445 1.00 29.93 O ATOM 416 CB PRO A 52 22.058 31.092 11.174 1.00 29.26 C ATOM 417 CG PRO A 52 22.436 30.245 12.366 1.00 32.42 C ATOM 418 CD PRO A 52 22.007 28.846 11.961 1.00 34.50 C ATOM 419 N GLY A 53 19.669 31.555 8.833 1.00 25.42 N ATOM 420 CA GLY A 53 19.306 31.729 7.449 1.00 29.13 C ATOM 421 C GLY A 53 18.040 31.011 7.040 1.00 26.00 C ATOM 422 O GLY A 53 17.456 31.355 6.007 1.00 25.61 O ATOM 423 H GLY A 53 19.258 32.192 9.545 1.00 0.00 H ATOM 424 N LEU A 54 17.583 30.048 7.833 1.00 21.35 N ATOM 425 CA LEU A 54 16.328 29.372 7.545 1.00 20.38 C ATOM 426 C LEU A 54 15.178 30.053 8.269 1.00 15.77 C ATOM 427 O LEU A 54 15.377 30.735 9.277 1.00 17.88 O ATOM 428 CB LEU A 54 16.381 27.900 7.957 1.00 18.43 C ATOM 429 CG LEU A 54 16.904 26.931 6.886 1.00 27.87 C ATOM 430 CD1 LEU A 54 18.098 27.452 6.103 1.00 36.14 C ATOM 431 CD2 LEU A 54 17.100 25.509 7.429 1.00 21.79 C ATOM 432 H LEU A 54 18.131 29.773 8.673 1.00 0.00 H ATOM 433 N LEU A 55 13.975 29.889 7.714 1.00 15.18 N ATOM 434 CA LEU A 55 12.736 30.296 8.360 1.00 15.20 C ATOM 435 C LEU A 55 11.996 29.065 8.847 1.00 15.26 C ATOM 436 O LEU A 55 12.041 28.011 8.210 1.00 18.46 O ATOM 437 CB LEU A 55 11.835 31.071 7.393 1.00 16.20 C ATOM 438 CG LEU A 55 12.335 32.472 7.086 1.00 17.94 C ATOM 439 CD1 LEU A 55 11.463 33.046 5.981 1.00 22.15 C ATOM 440 CD2 LEU A 55 12.239 33.334 8.326 1.00 18.70 C ATOM 441 H LEU A 55 13.920 29.449 6.773 1.00 0.00 H ATOM 442 N THR A 56 11.290 29.201 9.973 1.00 14.10 N ATOM 443 CA THR A 56 10.491 28.107 10.494 1.00 13.92 C ATOM 444 C THR A 56 9.049 28.561 10.634 1.00 14.10 C ATOM 445 O THR A 56 8.783 29.647 11.160 1.00 16.27 O ATOM 446 CB THR A 56 11.074 27.600 11.816 1.00 15.64 C ATOM 447 OG1 THR A 56 12.355 27.052 11.528 1.00 16.08 O ATOM 448 CG2 THR A 56 10.206 26.475 12.413 1.00 15.98 C ATOM 449 HG1 THR A 56 12.763 26.713 12.364 1.00 0.00 H ATOM 450 H THR A 56 11.313 30.106 10.485 1.00 0.00 H ATOM 451 N ILE A 57 8.130 27.769 10.083 1.00 14.76 N ATOM 452 CA ILE A 57 6.699 28.028 10.204 1.00 17.20 C ATOM 453 C ILE A 57 6.182 27.192 11.363 1.00 16.30 C ATOM 454 O ILE A 57 6.423 25.977 11.409 1.00 17.43 O ATOM 455 CB ILE A 57 5.949 27.676 8.911 1.00 16.68 C ATOM 456 CG1 ILE A 57 6.639 28.245 7.667 1.00 24.79 C ATOM 457 CG2 ILE A 57 4.473 28.090 9.020 1.00 19.69 C ATOM 458 CD1 ILE A 57 7.080 29.654 7.712 1.00 27.62 C ATOM 459 H ILE A 57 8.444 26.935 9.547 1.00 0.00 H ATOM 460 N SER A 58 5.504 27.833 12.324 1.00 13.54 N ATOM 461 CA SER A 58 4.967 27.119 13.475 1.00 13.74 C ATOM 462 C SER A 58 3.456 27.221 13.446 1.00 15.57 C ATOM 463 O SER A 58 2.907 28.300 13.211 1.00 17.35 O ATOM 464 CB SER A 58 5.494 27.670 14.803 1.00 15.76 C ATOM 465 OG SER A 58 6.904 27.516 14.869 1.00 15.88 O ATOM 466 HG SER A 58 7.133 26.555 14.801 1.00 0.00 H ATOM 467 H SER A 58 5.358 28.860 12.247 1.00 0.00 H ATOM 468 N TYR A 59 2.796 26.094 13.704 1.00 16.44 N ATOM 469 CA TYR A 59 1.343 26.035 13.637 1.00 15.09 C ATOM 470 C TYR A 59 0.853 24.934 14.568 1.00 16.29 C ATOM 471 O TYR A 59 1.640 24.190 15.164 1.00 17.94 O ATOM 472 CB TYR A 59 0.867 25.809 12.183 1.00 14.78 C ATOM 473 CG TYR A 59 1.190 24.442 11.620 1.00 17.99 C ATOM 474 CD1 TYR A 59 2.427 24.187 11.065 1.00 18.19 C ATOM 475 CD2 TYR A 59 0.255 23.419 11.654 1.00 19.67 C ATOM 476 CE1 TYR A 59 2.736 22.954 10.557 1.00 18.70 C ATOM 477 CE2 TYR A 59 0.550 22.165 11.155 1.00 22.46 C ATOM 478 CZ TYR A 59 1.802 21.948 10.595 1.00 22.18 C ATOM 479 OH TYR A 59 2.128 20.712 10.088 1.00 25.33 O ATOM 480 HH TYR A 59 1.498 20.478 9.361 1.00 0.00 H ATOM 481 H TYR A 59 3.329 25.238 13.959 1.00 0.00 H ATOM 482 N TYR A 60 -0.467 24.840 14.696 1.00 16.63 N ATOM 483 CA TYR A 60 -1.083 23.836 15.552 1.00 16.09 C ATOM 484 C TYR A 60 -1.639 22.702 14.708 1.00 19.43 C ATOM 485 O TYR A 60 -2.381 22.932 13.751 1.00 18.98 O ATOM 486 CB TYR A 60 -2.194 24.445 16.402 1.00 15.25 C ATOM 487 CG TYR A 60 -2.900 23.433 17.304 1.00 16.86 C ATOM 488 CD1 TYR A 60 -2.230 22.823 18.359 1.00 20.63 C ATOM 489 CD2 TYR A 60 -4.242 23.087 17.090 1.00 20.89 C ATOM 490 CE1 TYR A 60 -2.883 21.888 19.195 1.00 18.25 C ATOM 491 CE2 TYR A 60 -4.894 22.164 17.917 1.00 22.47 C ATOM 492 CZ TYR A 60 -4.201 21.575 18.957 1.00 22.21 C ATOM 493 OH TYR A 60 -4.851 20.666 19.765 1.00 26.29 O ATOM 494 HH TYR A 60 -4.226 20.336 20.458 1.00 0.00 H ATOM 495 H TYR A 60 -1.075 25.501 14.171 1.00 0.00 H ATOM 496 N CYS A 61 -1.277 21.484 15.070 1.00 19.28 N ATOM 497 CA CYS A 61 -1.745 20.280 14.397 1.00 20.23 C ATOM 498 C CYS A 61 -2.897 19.700 15.218 1.00 21.85 C ATOM 499 O CYS A 61 -2.679 19.057 16.254 1.00 21.42 O ATOM 500 CB CYS A 61 -0.579 19.312 14.242 1.00 21.80 C ATOM 501 SG CYS A 61 -0.982 17.758 13.492 1.00 30.28 S ATOM 502 H CYS A 61 -0.626 21.380 15.875 1.00 0.00 H ATOM 503 N GLN A 62 -4.132 19.913 14.749 1.00 19.32 N ATOM 504 CA GLN A 62 -5.302 19.384 15.453 1.00 22.37 C ATOM 505 C GLN A 62 -5.234 17.870 15.640 1.00 23.08 C ATOM 506 O GLN A 62 -5.657 17.343 16.684 1.00 24.13 O ATOM 507 CB GLN A 62 -6.582 19.744 14.699 1.00 28.82 C ATOM 508 CG GLN A 62 -7.013 21.186 14.829 1.00 25.63 C ATOM 509 CD GLN A 62 -7.717 21.463 16.139 1.00 24.39 C ATOM 510 OE1 GLN A 62 -7.930 20.560 16.953 1.00 26.94 O ATOM 511 NE2 GLN A 62 -8.113 22.714 16.339 1.00 30.15 N ATOM 512 HE22 GLN A 62 -7.912 23.443 15.626 1.00 0.00 H ATOM 513 HE21 GLN A 62 -8.624 22.965 17.209 1.00 0.00 H ATOM 514 H GLN A 62 -4.262 20.461 13.874 1.00 0.00 H ATOM 515 N GLU A 63 -4.738 17.145 14.633 1.00 23.42 N ATOM 516 CA GLU A 63 -4.833 15.686 14.672 1.00 25.00 C ATOM 517 C GLU A 63 -3.997 15.091 15.792 1.00 27.59 C ATOM 518 O GLU A 63 -4.352 14.037 16.323 1.00 29.57 O ATOM 519 CB GLU A 63 -4.401 15.077 13.338 1.00 27.26 C ATOM 520 CG GLU A 63 -5.532 14.921 12.342 1.00 32.75 C ATOM 521 CD GLU A 63 -6.490 13.803 12.713 1.00 36.28 C ATOM 522 OE1 GLU A 63 -7.345 14.026 13.585 1.00 35.90 O ATOM 523 OE2 GLU A 63 -6.396 12.702 12.121 1.00 44.71 O ATOM 524 H GLU A 63 -4.286 17.617 13.824 1.00 0.00 H ATOM 525 N GLN A 64 -2.894 15.738 16.150 1.00 26.86 N ATOM 526 CA GLN A 64 -1.996 15.249 17.187 1.00 27.11 C ATOM 527 C GLN A 64 -2.003 16.098 18.449 1.00 26.98 C ATOM 528 O GLN A 64 -1.343 15.722 19.426 1.00 29.19 O ATOM 529 CB GLN A 64 -0.556 15.178 16.655 1.00 29.71 C ATOM 530 CG GLN A 64 -0.362 14.246 15.468 1.00 37.44 C ATOM 531 CD GLN A 64 1.039 14.348 14.889 1.00 40.46 C ATOM 532 OE1 GLN A 64 1.219 14.661 13.715 1.00 47.48 O ATOM 533 NE2 GLN A 64 2.038 14.081 15.717 1.00 47.60 N ATOM 534 HE22 GLN A 64 1.840 13.820 16.704 1.00 0.00 H ATOM 535 HE21 GLN A 64 3.021 14.133 15.380 1.00 0.00 H ATOM 536 H GLN A 64 -2.662 16.631 15.670 1.00 0.00 H ATOM 537 N ASP A 65 -2.705 17.232 18.448 1.00 24.15 N ATOM 538 CA ASP A 65 -2.728 18.143 19.593 1.00 22.49 C ATOM 539 C ASP A 65 -1.314 18.545 19.993 1.00 25.81 C ATOM 540 O ASP A 65 -0.932 18.499 21.163 1.00 26.77 O ATOM 541 CB ASP A 65 -3.484 17.523 20.774 1.00 27.18 C ATOM 542 CG ASP A 65 -3.635 18.489 21.947 1.00 27.00 C ATOM 543 OD1 ASP A 65 -3.766 19.711 21.707 1.00 26.03 O ATOM 544 OD2 ASP A 65 -3.593 18.021 23.109 1.00 30.47 O ATOM 545 H ASP A 65 -3.257 17.478 17.602 1.00 0.00 H ATOM 546 N ILE A 66 -0.520 18.940 18.993 1.00 22.29 N ATOM 547 CA ILE A 66 0.818 19.459 19.230 1.00 22.53 C ATOM 548 C ILE A 66 1.087 20.608 18.280 1.00 21.44 C ATOM 549 O ILE A 66 0.466 20.743 17.224 1.00 20.77 O ATOM 550 CB ILE A 66 1.939 18.405 19.063 1.00 28.36 C ATOM 551 CG1 ILE A 66 2.017 17.935 17.617 1.00 29.21 C ATOM 552 CG2 ILE A 66 1.762 17.246 20.051 1.00 34.24 C ATOM 553 CD1 ILE A 66 3.151 16.958 17.379 1.00 43.81 C ATOM 554 H ILE A 66 -0.869 18.874 18.016 1.00 0.00 H ATOM 555 N VAL A 67 2.042 21.431 18.676 1.00 20.02 N ATOM 556 CA VAL A 67 2.595 22.452 17.800 1.00 17.32 C ATOM 557 C VAL A 67 3.609 21.791 16.877 1.00 21.47 C ATOM 558 O VAL A 67 4.451 21.002 17.328 1.00 22.54 O ATOM 559 CB VAL A 67 3.226 23.578 18.634 1.00 20.13 C ATOM 560 CG1 VAL A 67 4.037 24.542 17.749 1.00 21.01 C ATOM 561 CG2 VAL A 67 2.134 24.330 19.398 1.00 20.19 C ATOM 562 H VAL A 67 2.410 21.346 19.645 1.00 0.00 H ATOM 563 N LYS A 68 3.509 22.078 15.578 1.00 17.36 N ATOM 564 CA LYS A 68 4.404 21.533 14.566 1.00 14.41 C ATOM 565 C LYS A 68 5.199 22.658 13.924 1.00 16.54 C ATOM 566 O LYS A 68 4.735 23.806 13.871 1.00 17.16 O ATOM 567 CB LYS A 68 3.638 20.785 13.481 1.00 20.09 C ATOM 568 CG LYS A 68 2.959 19.532 13.996 1.00 33.58 C ATOM 569 CD LYS A 68 3.908 18.355 14.014 1.00 38.51 C ATOM 570 CE LYS A 68 3.511 17.337 12.967 1.00 47.45 C ATOM 571 NZ LYS A 68 4.367 16.120 13.020 1.00 48.92 N ATOM 572 HZ1 LYS A 68 5.358 16.387 12.855 1.00 0.00 H ATOM 573 HZ2 LYS A 68 4.278 15.676 13.956 1.00 0.00 H ATOM 574 HZ3 LYS A 68 4.060 15.450 12.286 1.00 0.00 H ATOM 575 H LYS A 68 2.753 22.724 15.272 1.00 0.00 H ATOM 576 N HIS A 69 6.391 22.303 13.416 1.00 16.67 N ATOM 577 CA HIS A 69 7.326 23.243 12.815 1.00 16.32 C ATOM 578 C HIS A 69 7.829 22.719 11.481 1.00 15.38 C ATOM 579 O HIS A 69 8.139 21.526 11.352 1.00 20.25 O ATOM 580 CB HIS A 69 8.532 23.467 13.727 1.00 17.37 C ATOM 581 CG HIS A 69 8.167 23.771 15.146 1.00 17.75 C ATOM 582 ND1 HIS A 69 7.734 25.012 15.561 1.00 16.56 N ATOM 583 CD2 HIS A 69 8.185 22.990 16.251 1.00 22.18 C ATOM 584 CE1 HIS A 69 7.503 24.981 16.862 1.00 18.20 C ATOM 585 NE2 HIS A 69 7.764 23.764 17.303 1.00 21.12 N ATOM 586 H HIS A 69 6.661 21.299 13.454 1.00 0.00 H ATOM 587 N ILE A 70 7.937 23.612 10.497 1.00 14.89 N ATOM 588 CA ILE A 70 8.457 23.253 9.178 1.00 14.31 C ATOM 589 C ILE A 70 9.451 24.323 8.749 1.00 16.78 C ATOM 590 O ILE A 70 9.130 25.520 8.763 1.00 16.20 O ATOM 591 CB ILE A 70 7.357 23.134 8.107 1.00 19.51 C ATOM 592 CG1 ILE A 70 6.233 22.193 8.520 1.00 29.46 C ATOM 593 CG2 ILE A 70 7.981 22.721 6.771 1.00 19.56 C ATOM 594 CD1 ILE A 70 4.995 22.344 7.643 1.00 34.22 C ATOM 595 H ILE A 70 7.643 24.594 10.673 1.00 0.00 H ATOM 596 N ARG A 71 10.629 23.896 8.306 1.00 15.64 N ATOM 597 CA ARG A 71 11.692 24.824 7.937 1.00 14.10 C ATOM 598 C ARG A 71 11.724 25.065 6.437 1.00 15.77 C ATOM 599 O ARG A 71 11.560 24.129 5.647 1.00 16.78 O ATOM 600 CB ARG A 71 13.052 24.285 8.365 1.00 14.76 C ATOM 601 CG ARG A 71 13.157 23.968 9.840 1.00 15.95 C ATOM 602 CD ARG A 71 14.622 23.784 10.226 1.00 15.93 C ATOM 603 NE ARG A 71 14.799 23.497 11.657 1.00 16.76 N ATOM 604 CZ ARG A 71 15.032 22.296 12.184 1.00 17.90 C ATOM 605 NH1 ARG A 71 15.100 21.201 11.429 1.00 22.01 N ATOM 606 NH2 ARG A 71 15.196 22.180 13.499 1.00 21.14 N ATOM 607 HE ARG A 71 14.737 24.301 12.314 1.00 0.00 H ATOM 608 HH12 ARG A 71 15.283 20.277 11.869 1.00 0.00 H ATOM 609 HH11 ARG A 71 14.970 21.270 10.400 1.00 0.00 H ATOM 610 HH22 ARG A 71 15.378 21.247 13.920 1.00 0.00 H ATOM 611 HH21 ARG A 71 15.142 23.023 14.106 1.00 0.00 H ATOM 612 H ARG A 71 10.797 22.873 8.220 1.00 0.00 H ATOM 613 N PHE A 72 11.997 26.320 6.067 1.00 15.11 N ATOM 614 CA PHE A 72 12.188 26.757 4.688 1.00 15.53 C ATOM 615 C PHE A 72 13.534 27.446 4.555 1.00 16.15 C ATOM 616 O PHE A 72 14.020 28.073 5.491 1.00 17.05 O ATOM 617 CB PHE A 72 11.083 27.715 4.251 1.00 16.64 C ATOM 618 CG PHE A 72 9.749 27.063 4.239 1.00 23.82 C ATOM 619 CD1 PHE A 72 9.268 26.488 3.086 1.00 32.36 C ATOM 620 CD2 PHE A 72 9.038 26.914 5.407 1.00 32.30 C ATOM 621 CE1 PHE A 72 8.066 25.841 3.106 1.00 31.39 C ATOM 622 CE2 PHE A 72 7.843 26.262 5.408 1.00 31.29 C ATOM 623 CZ PHE A 72 7.364 25.744 4.269 1.00 21.64 C ATOM 624 H PHE A 72 12.079 27.037 6.816 1.00 0.00 H ATOM 625 N GLY A 73 14.130 27.331 3.372 1.00 16.62 N ATOM 626 CA GLY A 73 15.367 28.023 3.086 1.00 15.23 C ATOM 627 C GLY A 73 15.352 28.497 1.649 1.00 15.21 C ATOM 628 O GLY A 73 14.595 27.993 0.819 1.00 18.44 O ATOM 629 H GLY A 73 13.699 26.732 2.639 1.00 0.00 H ATOM 630 N LEU A 74 16.201 29.472 1.367 1.00 18.04 N ATOM 631 CA LEU A 74 16.305 29.986 0.006 1.00 20.39 C ATOM 632 C LEU A 74 16.985 28.988 -0.921 1.00 19.57 C ATOM 633 O LEU A 74 17.997 28.376 -0.574 1.00 20.25 O ATOM 634 CB LEU A 74 17.072 31.302 -0.010 1.00 21.88 C ATOM 635 CG LEU A 74 16.233 32.500 0.450 1.00 24.58 C ATOM 636 CD1 LEU A 74 17.143 33.679 0.711 1.00 24.66 C ATOM 637 CD2 LEU A 74 15.158 32.859 -0.565 1.00 19.45 C ATOM 638 H LEU A 74 16.797 29.874 2.119 1.00 0.00 H ATOM 639 N THR A 75 16.421 28.842 -2.118 1.00 18.01 N ATOM 640 CA THR A 75 17.019 28.132 -3.234 1.00 17.70 C ATOM 641 C THR A 75 17.006 29.085 -4.420 1.00 18.94 C ATOM 642 O THR A 75 16.459 30.186 -4.340 1.00 27.71 O ATOM 643 CB THR A 75 16.262 26.846 -3.588 1.00 21.39 C ATOM 644 OG1 THR A 75 15.070 27.186 -4.316 1.00 25.81 O ATOM 645 CG2 THR A 75 15.887 26.045 -2.332 1.00 26.50 C ATOM 646 HG1 THR A 75 14.497 27.767 -3.755 1.00 0.00 H ATOM 647 H THR A 75 15.483 29.268 -2.264 1.00 0.00 H ATOM 648 N ASP A 76 17.589 28.655 -5.539 1.00 24.83 N ATOM 649 CA ASP A 76 17.601 29.524 -6.704 1.00 29.87 C ATOM 650 C ASP A 76 16.196 29.821 -7.202 1.00 30.25 C ATOM 651 O ASP A 76 15.968 30.888 -7.781 1.00 29.97 O ATOM 652 CB ASP A 76 18.443 28.893 -7.801 1.00 29.33 C ATOM 653 CG ASP A 76 19.891 28.706 -7.381 1.00 49.24 C ATOM 654 OD1 ASP A 76 20.396 29.555 -6.610 1.00 45.64 O ATOM 655 OD2 ASP A 76 20.523 27.722 -7.828 1.00 59.69 O ATOM 656 H ASP A 76 18.028 27.713 -5.578 1.00 0.00 H ATOM 657 N LYS A 77 15.240 28.936 -6.914 1.00 29.62 N ATOM 658 CA LYS A 77 13.842 29.140 -7.252 1.00 29.68 C ATOM 659 C LYS A 77 13.094 29.981 -6.229 1.00 30.53 C ATOM 660 O LYS A 77 11.950 30.372 -6.492 1.00 29.33 O ATOM 661 CB LYS A 77 13.164 27.775 -7.404 1.00 30.13 C ATOM 662 CG LYS A 77 13.709 26.983 -8.581 1.00 31.77 C ATOM 663 CD LYS A 77 13.051 25.618 -8.680 1.00 39.29 C ATOM 664 CE LYS A 77 13.596 24.831 -9.863 1.00 43.18 C ATOM 665 NZ LYS A 77 14.962 24.310 -9.584 1.00 54.32 N ATOM 666 HZ1 LYS A 77 15.603 25.106 -9.393 1.00 0.00 H ATOM 667 HZ2 LYS A 77 14.930 23.682 -8.755 1.00 0.00 H ATOM 668 HZ3 LYS A 77 15.304 23.779 -10.410 1.00 0.00 H ATOM 669 H LYS A 77 15.508 28.059 -6.424 1.00 0.00 H ATOM 670 N GLY A 78 13.709 30.291 -5.095 1.00 21.74 N ATOM 671 CA GLY A 78 13.038 30.955 -3.999 1.00 23.59 C ATOM 672 C GLY A 78 12.976 30.059 -2.773 1.00 22.06 C ATOM 673 O GLY A 78 13.609 29.001 -2.700 1.00 20.48 O ATOM 674 H GLY A 78 14.714 30.047 -4.990 1.00 0.00 H ATOM 675 N TRP A 79 12.168 30.486 -1.804 1.00 20.05 N ATOM 676 CA TRP A 79 12.023 29.713 -0.576 1.00 17.78 C ATOM 677 C TRP A 79 11.406 28.350 -0.867 1.00 18.43 C ATOM 678 O TRP A 79 10.404 28.244 -1.583 1.00 21.99 O ATOM 679 CB TRP A 79 11.148 30.458 0.443 1.00 20.74 C ATOM 680 CG TRP A 79 11.776 31.711 0.979 1.00 20.92 C ATOM 681 CD1 TRP A 79 11.586 32.972 0.517 1.00 22.97 C ATOM 682 CD2 TRP A 79 12.687 31.820 2.080 1.00 17.12 C ATOM 683 NE1 TRP A 79 12.330 33.871 1.249 1.00 23.59 N ATOM 684 CE2 TRP A 79 13.028 33.185 2.208 1.00 19.59 C ATOM 685 CE3 TRP A 79 13.272 30.895 2.950 1.00 14.67 C ATOM 686 CZ2 TRP A 79 13.916 33.649 3.177 1.00 18.99 C ATOM 687 CZ3 TRP A 79 14.151 31.357 3.907 1.00 16.91 C ATOM 688 CH2 TRP A 79 14.470 32.716 4.014 1.00 17.76 C ATOM 689 HE1 TRP A 79 12.357 34.900 1.099 1.00 0.00 H ATOM 690 H TRP A 79 11.639 31.373 -1.924 1.00 0.00 H ATOM 691 N LYS A 80 12.013 27.311 -0.298 1.00 18.36 N ATOM 692 CA LYS A 80 11.562 25.944 -0.488 1.00 20.27 C ATOM 693 C LYS A 80 11.697 25.216 0.835 1.00 16.29 C ATOM 694 O LYS A 80 12.467 25.614 1.710 1.00 19.30 O ATOM 695 CB LYS A 80 12.371 25.210 -1.562 1.00 21.53 C ATOM 696 CG LYS A 80 12.168 25.725 -2.964 1.00 25.93 C ATOM 697 CD LYS A 80 10.748 25.508 -3.467 1.00 24.50 C ATOM 698 CE LYS A 80 10.633 26.122 -4.857 1.00 27.81 C ATOM 699 NZ LYS A 80 9.365 25.751 -5.532 1.00 32.09 N ATOM 700 HZ1 LYS A 80 9.316 24.717 -5.631 1.00 0.00 H ATOM 701 HZ2 LYS A 80 8.561 26.085 -4.964 1.00 0.00 H ATOM 702 HZ3 LYS A 80 9.333 26.192 -6.473 1.00 0.00 H ATOM 703 H LYS A 80 12.842 27.485 0.306 1.00 0.00 H ATOM 704 N THR A 81 10.970 24.104 0.943 1.00 18.23 N ATOM 705 CA THR A 81 11.023 23.273 2.141 1.00 18.57 C ATOM 706 C THR A 81 12.406 22.639 2.308 1.00 20.09 C ATOM 707 O THR A 81 12.956 22.069 1.362 1.00 23.56 O ATOM 708 CB THR A 81 9.936 22.199 2.022 1.00 30.85 C ATOM 709 OG1 THR A 81 8.650 22.827 2.125 1.00 42.85 O ATOM 710 CG2 THR A 81 10.067 21.133 3.085 1.00 38.91 C ATOM 711 HG1 THR A 81 8.548 23.489 1.396 1.00 0.00 H ATOM 712 H THR A 81 10.351 23.823 0.156 1.00 0.00 H ATOM 713 N ALA A 82 12.974 22.754 3.518 1.00 16.90 N ATOM 714 CA ALA A 82 14.244 22.146 3.851 1.00 17.36 C ATOM 715 C ALA A 82 14.070 20.639 4.058 1.00 19.74 C ATOM 716 O ALA A 82 12.954 20.167 4.288 1.00 21.13 O ATOM 717 CB ALA A 82 14.823 22.789 5.111 1.00 22.15 C ATOM 718 H ALA A 82 12.480 23.304 4.249 1.00 0.00 H ATOM 719 N PRO A 83 15.156 19.871 3.977 1.00 20.83 N ATOM 720 CA PRO A 83 15.090 18.455 4.357 1.00 21.29 C ATOM 721 C PRO A 83 14.537 18.310 5.765 1.00 23.56 C ATOM 722 O PRO A 83 14.834 19.111 6.652 1.00 24.90 O ATOM 723 CB PRO A 83 16.553 17.993 4.286 1.00 25.36 C ATOM 724 CG PRO A 83 17.250 18.980 3.398 1.00 26.07 C ATOM 725 CD PRO A 83 16.510 20.275 3.557 1.00 22.51 C ATOM 726 N LYS A 84 13.751 17.265 5.965 1.00 28.53 N ATOM 727 CA LYS A 84 13.183 17.041 7.282 1.00 26.95 C ATOM 728 C LYS A 84 13.947 15.947 8.016 1.00 22.12 C ATOM 729 O LYS A 84 14.348 14.952 7.404 1.00 24.34 O ATOM 730 CB LYS A 84 11.708 16.657 7.168 1.00 24.37 C ATOM 731 CG LYS A 84 10.850 17.786 6.581 1.00 27.33 C ATOM 732 CD LYS A 84 9.375 17.451 6.527 1.00 32.25 C ATOM 733 CE LYS A 84 8.609 18.603 5.878 1.00 30.71 C ATOM 734 NZ LYS A 84 7.190 18.290 5.552 1.00 38.89 N ATOM 735 HZ1 LYS A 84 7.156 17.490 4.888 1.00 0.00 H ATOM 736 HZ2 LYS A 84 6.682 18.040 6.424 1.00 0.00 H ATOM 737 HZ3 LYS A 84 6.744 19.122 5.116 1.00 0.00 H ATOM 738 H LYS A 84 13.542 16.609 5.185 1.00 0.00 H ATOM 739 N PRO A 85 14.137 16.133 9.322 1.00 24.42 N ATOM 740 CA PRO A 85 14.914 15.166 10.097 1.00 26.71 C ATOM 741 C PRO A 85 14.128 13.893 10.349 1.00 25.39 C ATOM 742 O PRO A 85 12.887 13.911 10.413 1.00 30.42 O ATOM 743 CB PRO A 85 15.195 15.916 11.410 1.00 25.15 C ATOM 744 CG PRO A 85 14.019 16.841 11.541 1.00 26.34 C ATOM 745 CD PRO A 85 13.722 17.294 10.130 1.00 25.11 C ATOM 746 N PRO A 86 14.811 12.763 10.540 1.00 26.79 N ATOM 747 CA PRO A 86 14.110 11.513 10.844 1.00 27.71 C ATOM 748 C PRO A 86 13.529 11.526 12.251 1.00 34.52 C ATOM 749 O PRO A 86 13.907 12.332 13.102 1.00 34.33 O ATOM 750 CB PRO A 86 15.207 10.453 10.706 1.00 32.93 C ATOM 751 CG PRO A 86 16.469 11.194 11.030 1.00 33.78 C ATOM 752 CD PRO A 86 16.262 12.563 10.407 1.00 30.89 C ATOM 753 N HIS A 87 12.589 10.613 12.485 1.00 30.27 N ATOM 754 CA HIS A 87 11.880 10.604 13.760 1.00 41.98 C ATOM 755 C HIS A 87 12.837 10.324 14.915 1.00 40.93 C ATOM 756 O HIS A 87 13.745 9.491 14.812 1.00 40.85 O ATOM 757 CB HIS A 87 10.746 9.588 13.715 1.00 53.77 C ATOM 758 CG HIS A 87 9.561 10.057 12.937 1.00 64.25 C ATOM 759 ND1 HIS A 87 8.991 11.296 13.133 1.00 66.10 N ATOM 760 CD2 HIS A 87 8.858 9.470 11.940 1.00 68.63 C ATOM 761 CE1 HIS A 87 7.982 11.451 12.293 1.00 67.45 C ATOM 762 NE2 HIS A 87 7.880 10.358 11.557 1.00 68.76 N ATOM 763 H HIS A 87 12.360 9.905 11.758 1.00 0.00 H ATOM 764 N GLU A 88 12.609 11.034 16.021 1.00 52.36 N ATOM 765 CA GLU A 88 13.517 11.011 17.159 1.00 52.92 C ATOM 766 C GLU A 88 13.674 9.591 17.703 1.00 50.75 C ATOM 767 O GLU A 88 12.718 8.805 17.693 1.00 46.91 O ATOM 768 CB GLU A 88 12.986 11.930 18.263 1.00 59.34 C ATOM 769 CG GLU A 88 14.026 12.612 19.168 1.00 65.55 C ATOM 770 CD GLU A 88 15.206 13.228 18.425 1.00 71.28 C ATOM 771 OE1 GLU A 88 14.975 14.146 17.610 1.00 69.70 O ATOM 772 OE2 GLU A 88 16.363 12.829 18.690 1.00 73.54 O ATOM 773 H GLU A 88 11.754 11.624 16.072 1.00 0.00 H ATOM 774 N PRO A 89 14.857 9.232 18.195 1.00 49.04 N ATOM 775 CA PRO A 89 15.010 7.943 18.875 1.00 50.60 C ATOM 776 C PRO A 89 14.123 7.845 20.109 1.00 52.62 C ATOM 777 O PRO A 89 13.835 8.840 20.778 1.00 59.03 O ATOM 778 CB PRO A 89 16.495 7.918 19.259 1.00 48.85 C ATOM 779 CG PRO A 89 17.158 8.845 18.303 1.00 52.58 C ATOM 780 CD PRO A 89 16.149 9.898 17.965 1.00 50.41 C ATOM 781 N LEU A 90 13.689 6.624 20.408 1.00 49.74 N ATOM 782 CA LEU A 90 12.905 6.340 21.601 1.00 52.39 C ATOM 783 C LEU A 90 13.616 5.293 22.446 1.00 52.10 C ATOM 784 O LEU A 90 14.346 4.446 21.926 1.00 51.06 O ATOM 785 CB LEU A 90 11.493 5.848 21.248 1.00 57.36 C ATOM 786 CG LEU A 90 10.585 6.862 20.549 1.00 56.91 C ATOM 787 CD1 LEU A 90 9.245 6.236 20.198 1.00 58.23 C ATOM 788 CD2 LEU A 90 10.394 8.099 21.419 1.00 56.92 C ATOM 789 H LEU A 90 13.919 5.841 19.764 1.00 0.00 H ATOM 790 N LYS A 91 13.398 5.375 23.763 1.00 55.45 N ATOM 791 CA LYS A 91 13.909 4.367 24.690 1.00 62.79 C ATOM 792 C LYS A 91 13.528 2.952 24.270 1.00 59.19 C ATOM 793 O LYS A 91 14.256 1.992 24.556 1.00 61.43 O ATOM 794 CB LYS A 91 13.345 4.634 26.079 1.00 73.80 C ATOM 795 CG LYS A 91 13.945 5.795 26.834 1.00 77.83 C ATOM 796 CD LYS A 91 12.948 6.270 27.901 1.00 78.61 C ATOM 797 CE LYS A 91 12.668 5.284 29.007 1.00 86.33 C ATOM 798 NZ LYS A 91 11.696 4.208 28.640 1.00 89.35 N ATOM 799 HZ1 LYS A 91 10.786 4.639 28.378 1.00 0.00 H ATOM 800 HZ2 LYS A 91 12.069 3.666 27.835 1.00 0.00 H ATOM 801 HZ3 LYS A 91 11.559 3.574 29.453 1.00 0.00 H ATOM 802 H LYS A 91 12.851 6.176 24.137 1.00 0.00 H ATOM 803 N SER A 92 12.387 2.805 23.607 1.00 63.06 N ATOM 804 CA SER A 92 11.840 1.510 23.239 1.00 65.01 C ATOM 805 C SER A 92 12.404 0.980 21.931 1.00 62.80 C ATOM 806 O SER A 92 12.055 -0.139 21.546 1.00 66.95 O ATOM 807 CB SER A 92 10.316 1.614 23.134 1.00 65.07 C ATOM 808 OG SER A 92 9.952 2.565 22.137 1.00 68.64 O ATOM 809 HG SER A 92 8.965 2.621 22.081 1.00 0.00 H ATOM 810 H SER A 92 11.858 3.659 23.338 1.00 0.00 H ATOM 811 N ASP A 93 13.260 1.745 21.253 1.00 53.30 N ATOM 812 CA ASP A 93 13.677 1.407 19.896 1.00 51.12 C ATOM 813 C ASP A 93 14.340 0.034 19.851 1.00 52.69 C ATOM 814 O ASP A 93 15.197 -0.287 20.678 1.00 53.98 O ATOM 815 CB ASP A 93 14.640 2.467 19.358 1.00 50.09 C ATOM 816 CG ASP A 93 13.936 3.752 18.930 1.00 53.00 C ATOM 817 OD1 ASP A 93 12.711 3.731 18.697 1.00 46.92 O ATOM 818 OD2 ASP A 93 14.623 4.794 18.809 1.00 50.54 O ATOM 819 H ASP A 93 13.640 2.603 21.702 1.00 0.00 H ATOM 820 N SER A 94 13.931 -0.773 18.879 1.00 53.06 N ATOM 821 CA SER A 94 14.574 -2.043 18.577 1.00 54.76 C ATOM 822 C SER A 94 15.827 -1.803 17.740 1.00 53.03 C ATOM 823 O SER A 94 16.038 -0.708 17.210 1.00 50.34 O ATOM 824 CB SER A 94 13.582 -2.946 17.847 1.00 56.60 C ATOM 825 OG SER A 94 13.282 -2.424 16.562 1.00 54.69 O ATOM 826 HG SER A 94 12.639 -3.023 16.106 1.00 0.00 H ATOM 827 H SER A 94 13.112 -0.484 18.306 1.00 0.00 H ATOM 828 N PRO A 95 16.694 -2.815 17.602 1.00 45.47 N ATOM 829 CA PRO A 95 17.874 -2.644 16.729 1.00 43.32 C ATOM 830 C PRO A 95 17.519 -2.276 15.298 1.00 42.47 C ATOM 831 O PRO A 95 18.252 -1.515 14.644 1.00 40.45 O ATOM 832 CB PRO A 95 18.567 -4.012 16.805 1.00 46.41 C ATOM 833 CG PRO A 95 18.112 -4.605 18.084 1.00 48.71 C ATOM 834 CD PRO A 95 16.726 -4.094 18.333 1.00 47.66 C ATOM 835 N GLU A 96 16.400 -2.801 14.795 1.00 47.68 N ATOM 836 CA GLU A 96 15.967 -2.479 13.441 1.00 47.54 C ATOM 837 C GLU A 96 15.644 -0.999 13.306 1.00 43.47 C ATOM 838 O GLU A 96 16.045 -0.358 12.328 1.00 39.60 O ATOM 839 CB GLU A 96 14.757 -3.336 13.062 1.00 48.47 C ATOM 840 CG GLU A 96 15.078 -4.815 12.855 1.00 50.87 C ATOM 841 CD GLU A 96 15.155 -5.611 14.147 1.00 58.42 C ATOM 842 OE1 GLU A 96 14.868 -5.057 15.230 1.00 54.23 O ATOM 843 OE2 GLU A 96 15.509 -6.805 14.077 1.00 59.37 O ATOM 844 H GLU A 96 15.830 -3.448 15.376 1.00 0.00 H ATOM 845 N ILE A 97 14.924 -0.435 14.284 1.00 40.24 N ATOM 846 CA ILE A 97 14.687 1.008 14.283 1.00 38.68 C ATOM 847 C ILE A 97 16.011 1.758 14.274 1.00 34.32 C ATOM 848 O ILE A 97 16.212 2.696 13.492 1.00 32.33 O ATOM 849 CB ILE A 97 13.839 1.424 15.497 1.00 42.95 C ATOM 850 CG1 ILE A 97 12.461 0.771 15.467 1.00 55.87 C ATOM 851 CG2 ILE A 97 13.688 2.935 15.534 1.00 46.38 C ATOM 852 CD1 ILE A 97 11.615 1.181 16.659 1.00 64.29 C ATOM 853 H ILE A 97 14.532 -1.025 15.046 1.00 0.00 H ATOM 854 N LYS A 98 16.927 1.368 15.165 1.00 34.89 N ATOM 855 CA LYS A 98 18.160 2.125 15.351 1.00 33.22 C ATOM 856 C LYS A 98 19.033 2.085 14.104 1.00 35.03 C ATOM 857 O LYS A 98 19.630 3.098 13.724 1.00 31.11 O ATOM 858 CB LYS A 98 18.918 1.587 16.559 1.00 34.42 C ATOM 859 CG LYS A 98 18.223 1.845 17.893 1.00 39.30 C ATOM 860 CD LYS A 98 19.029 1.268 19.047 1.00 48.78 C ATOM 861 CE LYS A 98 18.603 1.855 20.392 1.00 58.82 C ATOM 862 NZ LYS A 98 18.687 3.348 20.422 1.00 58.15 N ATOM 863 HZ1 LYS A 98 19.668 3.643 20.241 1.00 0.00 H ATOM 864 HZ2 LYS A 98 18.064 3.744 19.689 1.00 0.00 H ATOM 865 HZ3 LYS A 98 18.387 3.692 21.356 1.00 0.00 H ATOM 866 H LYS A 98 16.759 0.513 15.733 1.00 0.00 H ATOM 867 N GLU A 99 19.117 0.927 13.449 1.00 36.19 N ATOM 868 CA GLU A 99 19.963 0.819 12.268 1.00 35.39 C ATOM 869 C GLU A 99 19.431 1.684 11.134 1.00 39.06 C ATOM 870 O GLU A 99 20.208 2.330 10.421 1.00 35.62 O ATOM 871 CB GLU A 99 20.078 -0.641 11.832 1.00 46.30 C ATOM 872 CG GLU A 99 20.858 -0.825 10.541 1.00 53.99 C ATOM 873 CD GLU A 99 21.128 -2.283 10.213 1.00 68.05 C ATOM 874 OE1 GLU A 99 20.674 -3.160 10.978 1.00 73.98 O ATOM 875 OE2 GLU A 99 21.795 -2.551 9.189 1.00 72.52 O ATOM 876 H GLU A 99 18.579 0.101 13.781 1.00 0.00 H ATOM 877 N LYS A 100 18.109 1.717 10.955 1.00 39.10 N ATOM 878 CA LYS A 100 17.533 2.598 9.949 1.00 35.63 C ATOM 879 C LYS A 100 17.761 4.060 10.311 1.00 35.69 C ATOM 880 O LYS A 100 18.038 4.889 9.438 1.00 34.97 O ATOM 881 CB LYS A 100 16.043 2.309 9.790 1.00 38.39 C ATOM 882 CG LYS A 100 15.360 3.228 8.793 1.00 41.47 C ATOM 883 CD LYS A 100 13.944 2.773 8.511 1.00 50.88 C ATOM 884 CE LYS A 100 13.476 3.266 7.154 1.00 56.50 C ATOM 885 NZ LYS A 100 14.178 2.565 6.040 1.00 64.86 N ATOM 886 HZ1 LYS A 100 15.201 2.735 6.115 1.00 0.00 H ATOM 887 HZ2 LYS A 100 13.989 1.544 6.101 1.00 0.00 H ATOM 888 HZ3 LYS A 100 13.831 2.929 5.130 1.00 0.00 H ATOM 889 H LYS A 100 17.490 1.114 11.534 1.00 0.00 H ATOM 890 N TYR A 101 17.672 4.390 11.600 1.00 32.07 N ATOM 891 CA TYR A 101 17.888 5.769 12.017 1.00 28.76 C ATOM 892 C TYR A 101 19.288 6.240 11.644 1.00 26.87 C ATOM 893 O TYR A 101 19.467 7.379 11.195 1.00 30.23 O ATOM 894 CB TYR A 101 17.662 5.908 13.519 1.00 30.07 C ATOM 895 CG TYR A 101 17.876 7.308 14.015 1.00 32.92 C ATOM 896 CD1 TYR A 101 16.907 8.280 13.811 1.00 39.22 C ATOM 897 CD2 TYR A 101 19.059 7.676 14.648 1.00 31.32 C ATOM 898 CE1 TYR A 101 17.086 9.566 14.254 1.00 35.87 C ATOM 899 CE2 TYR A 101 19.249 8.974 15.096 1.00 37.00 C ATOM 900 CZ TYR A 101 18.255 9.913 14.889 1.00 40.01 C ATOM 901 OH TYR A 101 18.410 11.213 15.315 1.00 42.87 O ATOM 902 HH TYR A 101 17.602 11.734 15.081 1.00 0.00 H ATOM 903 H TYR A 101 17.448 3.662 12.308 1.00 0.00 H ATOM 904 N THR A 102 20.291 5.376 11.821 1.00 29.57 N ATOM 905 CA THR A 102 21.655 5.726 11.423 1.00 29.35 C ATOM 906 C THR A 102 21.700 6.212 9.980 1.00 26.75 C ATOM 907 O THR A 102 22.218 7.299 9.694 1.00 32.00 O ATOM 908 CB THR A 102 22.583 4.524 11.596 1.00 34.15 C ATOM 909 OG1 THR A 102 22.580 4.107 12.967 1.00 33.55 O ATOM 910 CG2 THR A 102 23.999 4.882 11.174 1.00 40.29 C ATOM 911 HG1 THR A 102 22.896 4.852 13.538 1.00 0.00 H ATOM 912 H THR A 102 20.101 4.446 12.246 1.00 0.00 H ATOM 913 N LEU A 103 21.168 5.408 9.053 1.00 27.81 N ATOM 914 CA LEU A 103 21.203 5.786 7.641 1.00 28.16 C ATOM 915 C LEU A 103 20.358 7.023 7.369 1.00 28.11 C ATOM 916 O LEU A 103 20.781 7.904 6.619 1.00 26.12 O ATOM 917 CB LEU A 103 20.743 4.625 6.760 1.00 32.30 C ATOM 918 CG LEU A 103 21.621 3.374 6.754 1.00 45.06 C ATOM 919 CD1 LEU A 103 21.040 2.331 5.822 1.00 52.52 C ATOM 920 CD2 LEU A 103 23.060 3.699 6.366 1.00 48.02 C ATOM 921 H LEU A 103 20.727 4.510 9.338 1.00 0.00 H ATOM 922 N ASP A 104 19.167 7.120 7.969 1.00 26.11 N ATOM 923 CA ASP A 104 18.328 8.289 7.715 1.00 22.87 C ATOM 924 C ASP A 104 18.955 9.554 8.282 1.00 23.66 C ATOM 925 O ASP A 104 18.811 10.644 7.707 1.00 23.72 O ATOM 926 CB ASP A 104 16.939 8.092 8.313 1.00 24.35 C ATOM 927 CG ASP A 104 16.116 7.099 7.549 1.00 31.28 C ATOM 928 OD1 ASP A 104 16.411 6.879 6.358 1.00 34.46 O ATOM 929 OD2 ASP A 104 15.172 6.542 8.140 1.00 33.73 O ATOM 930 H ASP A 104 18.841 6.370 8.611 1.00 0.00 H ATOM 931 N LYS A 105 19.638 9.440 9.422 1.00 25.33 N ATOM 932 CA LYS A 105 20.263 10.622 10.001 1.00 23.74 C ATOM 933 C LYS A 105 21.418 11.099 9.142 1.00 23.27 C ATOM 934 O LYS A 105 21.583 12.307 8.932 1.00 27.42 O ATOM 935 CB LYS A 105 20.734 10.330 11.425 1.00 29.68 C ATOM 936 CG LYS A 105 21.271 11.551 12.159 1.00 33.12 C ATOM 937 CD LYS A 105 22.204 11.114 13.284 1.00 43.21 C ATOM 938 CE LYS A 105 22.493 12.254 14.241 1.00 54.68 C ATOM 939 NZ LYS A 105 21.238 12.856 14.757 1.00 56.24 N ATOM 940 HZ1 LYS A 105 20.679 13.225 13.961 1.00 0.00 H ATOM 941 HZ2 LYS A 105 20.689 12.131 15.261 1.00 0.00 H ATOM 942 HZ3 LYS A 105 21.470 13.633 15.409 1.00 0.00 H ATOM 943 H LYS A 105 19.724 8.517 9.893 1.00 0.00 H ATOM 944 N ILE A 106 22.228 10.168 8.629 1.00 24.13 N ATOM 945 CA ILE A 106 23.312 10.561 7.733 1.00 22.99 C ATOM 946 C ILE A 106 22.743 11.237 6.499 1.00 25.03 C ATOM 947 O ILE A 106 23.273 12.251 6.025 1.00 25.39 O ATOM 948 CB ILE A 106 24.172 9.346 7.357 1.00 25.06 C ATOM 949 CG1 ILE A 106 25.011 8.898 8.553 1.00 30.73 C ATOM 950 CG2 ILE A 106 25.079 9.700 6.170 1.00 28.14 C ATOM 951 CD1 ILE A 106 25.521 7.480 8.436 1.00 32.61 C ATOM 952 H ILE A 106 22.087 9.166 8.867 1.00 0.00 H ATOM 953 N LYS A 107 21.668 10.670 5.945 1.00 24.56 N ATOM 954 CA LYS A 107 21.049 11.266 4.764 1.00 24.63 C ATOM 955 C LYS A 107 20.564 12.671 5.073 1.00 23.68 C ATOM 956 O LYS A 107 20.778 13.604 4.286 1.00 25.80 O ATOM 957 CB LYS A 107 19.892 10.393 4.284 1.00 24.47 C ATOM 958 CG LYS A 107 19.129 10.990 3.110 1.00 27.93 C ATOM 959 CD LYS A 107 18.222 9.966 2.449 1.00 34.89 C ATOM 960 CE LYS A 107 17.179 9.426 3.407 1.00 35.20 C ATOM 961 NZ LYS A 107 16.487 8.236 2.798 1.00 40.41 N ATOM 962 HZ1 LYS A 107 16.023 8.522 1.912 1.00 0.00 H ATOM 963 HZ2 LYS A 107 17.187 7.493 2.600 1.00 0.00 H ATOM 964 HZ3 LYS A 107 15.774 7.873 3.463 1.00 0.00 H ATOM 965 H LYS A 107 21.270 9.801 6.356 1.00 0.00 H ATOM 966 N PHE A 108 19.939 12.845 6.231 1.00 20.94 N ATOM 967 CA PHE A 108 19.440 14.162 6.593 1.00 21.02 C ATOM 968 C PHE A 108 20.589 15.145 6.756 1.00 26.14 C ATOM 969 O PHE A 108 20.541 16.262 6.231 1.00 24.98 O ATOM 970 CB PHE A 108 18.624 14.086 7.872 1.00 22.46 C ATOM 971 CG PHE A 108 18.395 15.429 8.499 1.00 24.31 C ATOM 972 CD1 PHE A 108 17.477 16.307 7.951 1.00 23.77 C ATOM 973 CD2 PHE A 108 19.133 15.828 9.606 1.00 25.16 C ATOM 974 CE1 PHE A 108 17.270 17.549 8.516 1.00 24.95 C ATOM 975 CE2 PHE A 108 18.935 17.079 10.170 1.00 26.62 C ATOM 976 CZ PHE A 108 17.999 17.938 9.616 1.00 25.06 C ATOM 977 H PHE A 108 19.807 12.041 6.878 1.00 0.00 H ATOM 978 N GLU A 109 21.647 14.734 7.462 1.00 25.76 N ATOM 979 CA GLU A 109 22.781 15.634 7.656 1.00 25.30 C ATOM 980 C GLU A 109 23.424 16.029 6.334 1.00 23.37 C ATOM 981 O GLU A 109 23.802 17.192 6.159 1.00 25.29 O ATOM 982 CB GLU A 109 23.823 15.012 8.584 1.00 25.27 C ATOM 983 CG GLU A 109 23.327 14.816 10.027 1.00 26.77 C ATOM 984 CD GLU A 109 22.967 16.120 10.729 1.00 44.79 C ATOM 985 OE1 GLU A 109 23.342 17.200 10.229 1.00 47.42 O ATOM 986 OE2 GLU A 109 22.305 16.066 11.790 1.00 50.83 O ATOM 987 H GLU A 109 21.663 13.778 7.871 1.00 0.00 H ATOM 988 N ARG A 110 23.597 15.072 5.408 1.00 22.58 N ATOM 989 CA ARG A 110 24.186 15.391 4.108 1.00 21.34 C ATOM 990 C ARG A 110 23.311 16.370 3.340 1.00 26.08 C ATOM 991 O ARG A 110 23.807 17.343 2.755 1.00 26.46 O ATOM 992 CB ARG A 110 24.383 14.119 3.276 1.00 23.72 C ATOM 993 CG ARG A 110 25.477 13.204 3.758 1.00 28.47 C ATOM 994 CD ARG A 110 25.705 12.082 2.762 1.00 29.58 C ATOM 995 NE ARG A 110 26.565 11.042 3.313 1.00 31.48 N ATOM 996 CZ ARG A 110 26.843 9.905 2.694 1.00 29.83 C ATOM 997 NH1 ARG A 110 26.346 9.667 1.490 1.00 36.23 N ATOM 998 NH2 ARG A 110 27.641 9.014 3.270 1.00 36.53 N ATOM 999 HE ARG A 110 26.986 11.203 4.250 1.00 0.00 H ATOM 1000 HH12 ARG A 110 26.565 8.774 1.004 1.00 0.00 H ATOM 1001 HH11 ARG A 110 25.737 10.373 1.030 1.00 0.00 H ATOM 1002 HH22 ARG A 110 27.860 8.121 2.784 1.00 0.00 H ATOM 1003 HH21 ARG A 110 28.048 9.209 4.207 1.00 0.00 H ATOM 1004 H ARG A 110 23.309 14.095 5.617 1.00 0.00 H ATOM 1005 N LYS A 111 22.006 16.103 3.303 1.00 23.01 N ATOM 1006 CA LYS A 111 21.103 16.952 2.538 1.00 21.08 C ATOM 1007 C LYS A 111 20.988 18.330 3.163 1.00 25.07 C ATOM 1008 O LYS A 111 20.980 19.340 2.445 1.00 23.83 O ATOM 1009 CB LYS A 111 19.730 16.302 2.431 1.00 25.95 C ATOM 1010 CG LYS A 111 19.644 15.116 1.470 1.00 24.90 C ATOM 1011 CD LYS A 111 18.209 14.669 1.415 1.00 29.59 C ATOM 1012 CE LYS A 111 17.967 13.619 0.380 1.00 39.07 C ATOM 1013 NZ LYS A 111 16.497 13.477 0.189 1.00 42.80 N ATOM 1014 HZ1 LYS A 111 16.057 13.198 1.089 1.00 0.00 H ATOM 1015 HZ2 LYS A 111 16.100 14.385 -0.125 1.00 0.00 H ATOM 1016 HZ3 LYS A 111 16.311 12.749 -0.530 1.00 0.00 H ATOM 1017 H LYS A 111 21.630 15.284 3.823 1.00 0.00 H ATOM 1018 N MET A 112 20.911 18.396 4.497 1.00 21.47 N ATOM 1019 CA MET A 112 20.810 19.696 5.149 1.00 19.02 C ATOM 1020 C MET A 112 22.090 20.495 4.960 1.00 20.98 C ATOM 1021 O MET A 112 22.041 21.708 4.764 1.00 24.27 O ATOM 1022 CB MET A 112 20.472 19.528 6.634 1.00 21.64 C ATOM 1023 CG MET A 112 20.278 20.834 7.414 1.00 20.92 C ATOM 1024 SD MET A 112 18.942 21.832 6.697 1.00 26.74 S ATOM 1025 CE MET A 112 17.551 21.441 7.759 1.00 25.54 C ATOM 1026 H MET A 112 20.923 17.525 5.065 1.00 0.00 H ATOM 1027 N LYS A 113 23.246 19.831 4.979 1.00 21.22 N ATOM 1028 CA LYS A 113 24.502 20.548 4.786 1.00 23.88 C ATOM 1029 C LYS A 113 24.528 21.232 3.426 1.00 26.32 C ATOM 1030 O LYS A 113 24.899 22.410 3.308 1.00 28.56 O ATOM 1031 CB LYS A 113 25.676 19.574 4.933 1.00 27.95 C ATOM 1032 CG LYS A 113 27.039 20.187 4.702 1.00 36.35 C ATOM 1033 CD LYS A 113 28.118 19.112 4.796 1.00 44.53 C ATOM 1034 CE LYS A 113 29.487 19.639 4.410 1.00 50.53 C ATOM 1035 NZ LYS A 113 29.938 20.717 5.323 1.00 46.55 N ATOM 1036 HZ1 LYS A 113 29.261 21.506 5.287 1.00 0.00 H ATOM 1037 HZ2 LYS A 113 29.991 20.348 6.294 1.00 0.00 H ATOM 1038 HZ3 LYS A 113 30.877 21.051 5.026 1.00 0.00 H ATOM 1039 H LYS A 113 23.252 18.802 5.131 1.00 0.00 H ATOM 1040 N GLN A 114 24.122 20.511 2.380 1.00 25.20 N ATOM 1041 CA GLN A 114 24.127 21.108 1.052 1.00 29.19 C ATOM 1042 C GLN A 114 23.084 22.208 0.958 1.00 25.55 C ATOM 1043 O GLN A 114 23.324 23.251 0.338 1.00 27.51 O ATOM 1044 CB GLN A 114 23.872 20.039 -0.010 1.00 29.62 C ATOM 1045 CG GLN A 114 25.082 19.183 -0.304 1.00 46.76 C ATOM 1046 CD GLN A 114 26.207 19.981 -0.930 1.00 52.51 C ATOM 1047 OE1 GLN A 114 25.978 20.821 -1.803 1.00 51.32 O ATOM 1048 NE2 GLN A 114 27.431 19.732 -0.476 1.00 56.85 N ATOM 1049 HE22 GLN A 114 27.576 19.014 0.262 1.00 0.00 H ATOM 1050 HE21 GLN A 114 28.244 20.256 -0.859 1.00 0.00 H ATOM 1051 H GLN A 114 23.804 19.530 2.512 1.00 0.00 H ATOM 1052 N PHE A 115 21.923 21.981 1.577 1.00 23.01 N ATOM 1053 CA PHE A 115 20.822 22.935 1.515 1.00 22.27 C ATOM 1054 C PHE A 115 21.183 24.238 2.213 1.00 25.34 C ATOM 1055 O PHE A 115 20.928 25.322 1.678 1.00 27.72 O ATOM 1056 CB PHE A 115 19.577 22.300 2.137 1.00 23.40 C ATOM 1057 CG PHE A 115 18.318 23.116 1.988 1.00 23.42 C ATOM 1058 CD1 PHE A 115 17.552 23.021 0.838 1.00 22.79 C ATOM 1059 CD2 PHE A 115 17.897 23.960 3.001 1.00 23.82 C ATOM 1060 CE1 PHE A 115 16.371 23.751 0.711 1.00 23.50 C ATOM 1061 CE2 PHE A 115 16.717 24.694 2.879 1.00 26.39 C ATOM 1062 CZ PHE A 115 15.957 24.592 1.729 1.00 22.96 C ATOM 1063 H PHE A 115 21.801 21.101 2.117 1.00 0.00 H ATOM 1064 N ILE A 116 21.803 24.143 3.399 1.00 23.95 N ATOM 1065 CA ILE A 116 22.219 25.319 4.171 1.00 23.57 C ATOM 1066 C ILE A 116 23.272 26.117 3.419 1.00 24.19 C ATOM 1067 O ILE A 116 23.279 27.357 3.448 1.00 24.88 O ATOM 1068 CB ILE A 116 22.769 24.879 5.540 1.00 29.53 C ATOM 1069 CG1 ILE A 116 21.648 24.383 6.445 1.00 37.20 C ATOM 1070 CG2 ILE A 116 23.539 26.018 6.198 1.00 36.06 C ATOM 1071 CD1 ILE A 116 20.809 25.484 7.012 1.00 48.84 C ATOM 1072 H ILE A 116 21.996 23.198 3.787 1.00 0.00 H ATOM 1073 N ASN A 117 24.227 25.414 2.803 1.00 26.37 N ATOM 1074 CA ASN A 117 25.302 26.080 2.073 1.00 31.75 C ATOM 1075 C ASN A 117 24.740 26.983 0.980 1.00 26.08 C ATOM 1076 O ASN A 117 25.165 28.133 0.831 1.00 29.79 O ATOM 1077 CB ASN A 117 26.244 25.025 1.487 1.00 41.77 C ATOM 1078 CG ASN A 117 27.502 25.627 0.882 1.00 52.63 C ATOM 1079 OD1 ASN A 117 27.451 26.276 -0.161 1.00 58.53 O ATOM 1080 ND2 ASN A 117 28.639 25.401 1.530 1.00 58.61 N ATOM 1081 HD22 ASN A 117 28.635 24.846 2.410 1.00 0.00 H ATOM 1082 HD21 ASN A 117 29.534 25.779 1.158 1.00 0.00 H ATOM 1083 H ASN A 117 24.204 24.375 2.844 1.00 0.00 H ATOM 1084 N THR A 118 23.762 26.484 0.223 1.00 25.71 N ATOM 1085 CA THR A 118 23.106 27.304 -0.790 1.00 25.94 C ATOM 1086 C THR A 118 22.186 28.346 -0.159 1.00 26.43 C ATOM 1087 O THR A 118 22.139 29.496 -0.610 1.00 33.63 O ATOM 1088 CB THR A 118 22.317 26.402 -1.743 1.00 32.81 C ATOM 1089 OG1 THR A 118 23.213 25.487 -2.384 1.00 43.50 O ATOM 1090 CG2 THR A 118 21.592 27.221 -2.794 1.00 39.17 C ATOM 1091 HG1 THR A 118 22.702 24.904 -3.000 1.00 0.00 H ATOM 1092 H THR A 118 23.463 25.497 0.357 1.00 0.00 H ATOM 1093 N ALA A 119 21.435 27.964 0.875 1.00 26.80 N ATOM 1094 CA ALA A 119 20.468 28.893 1.449 1.00 25.94 C ATOM 1095 C ALA A 119 21.167 30.066 2.111 1.00 26.51 C ATOM 1096 O ALA A 119 20.676 31.202 2.055 1.00 28.97 O ATOM 1097 CB ALA A 119 19.569 28.183 2.462 1.00 24.45 C ATOM 1098 H ALA A 119 21.538 27.008 1.270 1.00 0.00 H ATOM 1099 N LYS A 120 22.314 29.810 2.744 1.00 28.78 N ATOM 1100 CA LYS A 120 23.005 30.874 3.458 1.00 31.77 C ATOM 1101 C LYS A 120 23.647 31.858 2.492 1.00 31.46 C ATOM 1102 O LYS A 120 23.663 33.065 2.753 1.00 35.96 O ATOM 1103 CB LYS A 120 24.049 30.287 4.408 1.00 38.42 C ATOM 1104 CG LYS A 120 24.539 31.276 5.451 1.00 48.54 C ATOM 1105 CD LYS A 120 23.377 31.948 6.180 1.00 46.28 C ATOM 1106 CE LYS A 120 23.874 32.722 7.377 1.00 59.48 C ATOM 1107 NZ LYS A 120 24.739 31.854 8.224 1.00 58.74 N ATOM 1108 HZ1 LYS A 120 24.190 31.033 8.551 1.00 0.00 H ATOM 1109 HZ2 LYS A 120 25.553 31.528 7.665 1.00 0.00 H ATOM 1110 HZ3 LYS A 120 25.075 32.397 9.045 1.00 0.00 H ATOM 1111 H LYS A 120 22.714 28.850 2.727 1.00 0.00 H ATOM 1112 N LYS A 121 24.158 31.371 1.358 1.00 33.40 N ATOM 1113 CA LYS A 121 24.705 32.279 0.355 1.00 34.78 C ATOM 1114 C LYS A 121 23.627 33.196 -0.216 1.00 36.59 C ATOM 1115 O LYS A 121 23.860 34.393 -0.404 1.00 37.58 O ATOM 1116 CB LYS A 121 25.388 31.487 -0.760 1.00 40.57 C ATOM 1117 CG LYS A 121 26.843 31.182 -0.477 1.00 54.17 C ATOM 1118 CD LYS A 121 27.455 30.255 -1.513 1.00 59.88 C ATOM 1119 CE LYS A 121 28.686 29.560 -0.947 1.00 66.53 C ATOM 1120 NZ LYS A 121 29.637 29.131 -2.009 1.00 71.11 N ATOM 1121 HZ1 LYS A 121 29.160 28.467 -2.652 1.00 0.00 H ATOM 1122 HZ2 LYS A 121 29.956 29.964 -2.544 1.00 0.00 H ATOM 1123 HZ3 LYS A 121 30.456 28.664 -1.571 1.00 0.00 H ATOM 1124 H LYS A 121 24.166 30.345 1.190 1.00 0.00 H ATOM 1125 N LEU A 122 22.438 32.656 -0.498 1.00 33.50 N ATOM 1126 CA LEU A 122 21.359 33.495 -1.011 1.00 29.55 C ATOM 1127 C LEU A 122 20.804 34.422 0.066 1.00 29.47 C ATOM 1128 O LEU A 122 20.405 35.557 -0.225 1.00 30.97 O ATOM 1129 CB LEU A 122 20.250 32.618 -1.586 1.00 26.17 C ATOM 1130 CG LEU A 122 20.644 31.886 -2.868 1.00 28.26 C ATOM 1131 CD1 LEU A 122 19.640 30.751 -3.150 1.00 26.89 C ATOM 1132 CD2 LEU A 122 20.744 32.843 -4.055 1.00 29.07 C ATOM 1133 H LEU A 122 22.281 31.638 -0.352 1.00 0.00 H ATOM 1134 N PHE A 123 20.752 33.945 1.314 1.00 31.11 N ATOM 1135 CA PHE A 123 20.231 34.760 2.407 1.00 31.39 C ATOM 1136 C PHE A 123 21.078 36.006 2.610 1.00 35.35 C ATOM 1137 O PHE A 123 20.557 37.074 2.967 1.00 37.58 O ATOM 1138 CB PHE A 123 20.178 33.899 3.679 1.00 30.83 C ATOM 1139 CG PHE A 123 19.600 34.595 4.875 1.00 34.09 C ATOM 1140 CD1 PHE A 123 18.226 34.733 5.022 1.00 33.44 C ATOM 1141 CD2 PHE A 123 20.431 35.091 5.870 1.00 36.27 C ATOM 1142 CE1 PHE A 123 17.698 35.366 6.130 1.00 39.79 C ATOM 1143 CE2 PHE A 123 19.906 35.724 6.970 1.00 43.15 C ATOM 1144 CZ PHE A 123 18.538 35.862 7.099 1.00 45.53 C ATOM 1145 H PHE A 123 21.087 32.980 1.509 1.00 0.00 H ATOM 1146 N GLU A 124 22.373 35.899 2.324 1.00 36.65 N ATOM 1147 CA GLU A 124 23.333 36.945 2.640 1.00 40.96 C ATOM 1148 C GLU A 124 23.493 37.984 1.538 1.00 51.57 C ATOM 1149 O GLU A 124 24.007 39.074 1.810 1.00 57.60 O ATOM 1150 CB GLU A 124 24.698 36.310 2.949 1.00 45.29 C ATOM 1151 CG GLU A 124 24.792 35.597 4.293 1.00 59.00 C ATOM 1152 CD GLU A 124 26.072 34.806 4.438 1.00 71.63 C ATOM 1153 OE1 GLU A 124 26.142 33.982 5.369 1.00 72.35 O ATOM 1154 OE2 GLU A 124 26.994 34.960 3.602 1.00 75.86 O ATOM 1155 H GLU A 124 22.712 35.034 1.856 1.00 0.00 H ATOM 1156 N GLN A 125 23.076 37.701 0.306 1.00 51.95 N ATOM 1157 CA GLN A 125 23.384 38.635 -0.774 1.00 60.11 C ATOM 1158 C GLN A 125 22.200 39.495 -1.204 1.00 64.73 C ATOM 1159 O GLN A 125 22.378 40.686 -1.484 1.00 73.87 O ATOM 1160 CB GLN A 125 23.957 37.879 -1.983 1.00 59.46 C ATOM 1161 CG GLN A 125 22.946 37.207 -2.900 1.00 61.57 C ATOM 1162 CD GLN A 125 23.615 36.460 -4.043 1.00 66.34 C ATOM 1163 OE1 GLN A 125 24.835 36.299 -4.060 1.00 71.69 O ATOM 1164 NE2 GLN A 125 22.816 35.995 -5.000 1.00 60.85 N ATOM 1165 HE22 GLN A 125 21.790 36.155 -4.944 1.00 0.00 H ATOM 1166 HE21 GLN A 125 23.218 35.472 -5.804 1.00 0.00 H ATOM 1167 H GLN A 125 22.540 36.830 0.116 1.00 0.00 H ATOM 1168 N HIS A 126 20.995 38.943 -1.247 1.00 93.00 N ATOM 1169 CA HIS A 126 19.840 39.673 -1.763 1.00 95.45 C ATOM 1170 C HIS A 126 18.974 40.176 -0.610 1.00 94.20 C ATOM 1171 O HIS A 126 17.816 39.795 -0.455 1.00 92.64 O ATOM 1172 CB HIS A 126 19.043 38.787 -2.718 1.00 94.45 C ATOM 1173 CG HIS A 126 18.195 39.551 -3.687 1.00 95.03 C ATOM 1174 ND1 HIS A 126 16.839 39.342 -3.815 1.00 90.59 N ATOM 1175 CD2 HIS A 126 18.512 40.521 -4.577 1.00 98.67 C ATOM 1176 CE1 HIS A 126 16.357 40.151 -4.741 1.00 92.25 C ATOM 1177 NE2 HIS A 126 17.351 40.878 -5.218 1.00 97.48 N ATOM 1178 H HIS A 126 20.870 37.969 -0.906 1.00 0.00 H ATOM 1179 N ILE A 127 19.568 41.054 0.204 1.00 95.44 N ATOM 1180 CA ILE A 127 18.861 41.586 1.370 1.00 89.30 C ATOM 1181 C ILE A 127 17.625 42.358 0.924 1.00 92.14 C ATOM 1182 O ILE A 127 16.522 42.158 1.448 1.00 92.47 O ATOM 1183 CB ILE A 127 19.801 42.453 2.228 1.00 87.23 C ATOM 1184 CG1 ILE A 127 20.576 41.595 3.237 1.00 85.20 C ATOM 1185 CG2 ILE A 127 19.015 43.513 2.980 1.00 86.02 C ATOM 1186 CD1 ILE A 127 21.238 40.358 2.663 1.00 85.79 C ATOM 1187 H ILE A 127 20.542 41.362 0.007 1.00 0.00 H ATOM 1188 N ARG A 128 17.790 43.251 -0.051 1.00 96.34 N ATOM 1189 CA ARG A 128 16.653 43.764 -0.807 1.00 93.21 C ATOM 1190 C ARG A 128 16.166 42.660 -1.731 1.00 92.92 C ATOM 1191 O ARG A 128 16.884 42.249 -2.649 1.00 94.84 O ATOM 1192 CB ARG A 128 17.045 45.003 -1.602 1.00 93.76 C ATOM 1193 CG ARG A 128 17.826 46.021 -0.800 1.00 93.05 C ATOM 1194 CD ARG A 128 17.292 47.420 -1.035 1.00 94.04 C ATOM 1195 NE ARG A 128 17.782 48.361 -0.034 1.00 96.54 N ATOM 1196 CZ ARG A 128 17.270 48.484 1.186 1.00 93.72 C ATOM 1197 NH1 ARG A 128 16.249 47.723 1.558 1.00 86.65 N ATOM 1198 NH2 ARG A 128 17.780 49.367 2.034 1.00 97.33 N ATOM 1199 HE ARG A 128 18.582 48.974 -0.291 1.00 0.00 H ATOM 1200 HH12 ARG A 128 15.849 47.820 2.513 1.00 0.00 H ATOM 1201 HH11 ARG A 128 15.849 47.029 0.895 1.00 0.00 H ATOM 1202 HH22 ARG A 128 17.379 49.463 2.989 1.00 0.00 H ATOM 1203 HH21 ARG A 128 18.581 49.964 1.744 1.00 0.00 H ATOM 1204 H ARG A 128 18.747 43.589 -0.277 1.00 0.00 H ATOM 1205 N ALA A 129 14.960 42.160 -1.478 1.00 90.30 N ATOM 1206 CA ALA A 129 14.588 40.816 -1.906 1.00 84.86 C ATOM 1207 C ALA A 129 13.238 40.793 -2.610 1.00 77.07 C ATOM 1208 O ALA A 129 12.203 41.027 -1.978 1.00 69.07 O ATOM 1209 CB ALA A 129 14.572 39.878 -0.699 1.00 81.18 C ATOM 1210 H ALA A 129 14.267 42.740 -0.964 1.00 0.00 H ATOM 1211 N GLU A 130 13.245 40.469 -3.907 1.00 75.12 N ATOM 1212 CA GLU A 130 12.073 39.892 -4.549 1.00 67.62 C ATOM 1213 C GLU A 130 11.904 38.421 -4.181 1.00 57.09 C ATOM 1214 O GLU A 130 11.098 37.715 -4.797 1.00 50.96 O ATOM 1215 CB GLU A 130 12.152 40.067 -6.071 1.00 66.15 C ATOM 1216 CG GLU A 130 13.172 39.186 -6.763 1.00 65.83 C ATOM 1217 CD GLU A 130 14.381 39.967 -7.237 1.00 79.78 C ATOM 1218 OE1 GLU A 130 14.453 41.169 -6.907 1.00 85.26 O ATOM 1219 OE2 GLU A 130 15.254 39.391 -7.932 1.00 63.28 O ATOM 1220 H GLU A 130 14.105 40.632 -4.468 1.00 0.00 H ATOM 1221 N SER A 131 12.664 37.952 -3.188 1.00 46.70 N ATOM 1222 CA SER A 131 12.436 36.635 -2.618 1.00 42.33 C ATOM 1223 C SER A 131 11.151 36.577 -1.821 1.00 43.11 C ATOM 1224 O SER A 131 10.660 35.476 -1.575 1.00 34.62 O ATOM 1225 CB SER A 131 13.603 36.223 -1.723 1.00 43.06 C ATOM 1226 OG SER A 131 13.675 37.017 -0.553 1.00 44.62 O ATOM 1227 HG SER A 131 12.836 36.918 -0.036 1.00 0.00 H ATOM 1228 H SER A 131 13.435 38.542 -2.815 1.00 0.00 H ATOM 1229 N PHE A 132 10.604 37.729 -1.413 1.00 23.92 N ATOM 1230 CA PHE A 132 9.414 37.729 -0.569 1.00 23.23 C ATOM 1231 C PHE A 132 8.244 37.038 -1.262 1.00 22.99 C ATOM 1232 O PHE A 132 7.536 36.231 -0.648 1.00 23.41 O ATOM 1233 CB PHE A 132 9.051 39.165 -0.185 1.00 28.72 C ATOM 1234 CG PHE A 132 7.967 39.270 0.863 1.00 28.27 C ATOM 1235 CD1 PHE A 132 7.756 38.256 1.782 1.00 37.76 C ATOM 1236 CD2 PHE A 132 7.170 40.399 0.935 1.00 36.02 C ATOM 1237 CE1 PHE A 132 6.767 38.362 2.743 1.00 36.42 C ATOM 1238 CE2 PHE A 132 6.179 40.507 1.892 1.00 37.88 C ATOM 1239 CZ PHE A 132 5.977 39.494 2.794 1.00 35.46 C ATOM 1240 H PHE A 132 11.032 38.632 -1.700 1.00 0.00 H ATOM 1241 N LYS A 133 8.011 37.358 -2.536 1.00 24.93 N ATOM 1242 CA LYS A 133 6.903 36.729 -3.246 1.00 24.86 C ATOM 1243 C LYS A 133 7.049 35.217 -3.278 1.00 23.49 C ATOM 1244 O LYS A 133 6.041 34.503 -3.237 1.00 24.50 O ATOM 1245 CB LYS A 133 6.791 37.283 -4.670 1.00 28.08 C ATOM 1246 CG LYS A 133 6.446 38.767 -4.728 1.00 44.46 C ATOM 1247 CD LYS A 133 5.034 39.042 -4.238 1.00 53.37 C ATOM 1248 CE LYS A 133 4.585 40.450 -4.609 1.00 60.72 C ATOM 1249 NZ LYS A 133 4.393 40.623 -6.077 1.00 66.15 N ATOM 1250 HZ1 LYS A 133 5.290 40.434 -6.567 1.00 0.00 H ATOM 1251 HZ2 LYS A 133 3.667 39.957 -6.411 1.00 0.00 H ATOM 1252 HZ3 LYS A 133 4.088 41.598 -6.273 1.00 0.00 H ATOM 1253 H LYS A 133 8.616 38.052 -3.020 1.00 0.00 H ATOM 1254 N THR A 134 8.283 34.700 -3.334 1.00 23.45 N ATOM 1255 CA THR A 134 8.426 33.251 -3.388 1.00 22.04 C ATOM 1256 C THR A 134 8.109 32.612 -2.046 1.00 23.13 C ATOM 1257 O THR A 134 7.734 31.434 -2.016 1.00 21.35 O ATOM 1258 CB THR A 134 9.827 32.833 -3.864 1.00 23.28 C ATOM 1259 OG1 THR A 134 10.793 33.049 -2.821 1.00 22.68 O ATOM 1260 CG2 THR A 134 10.221 33.616 -5.086 1.00 25.80 C ATOM 1261 HG1 THR A 134 10.806 34.009 -2.579 1.00 0.00 H ATOM 1262 H THR A 134 9.119 35.318 -3.339 1.00 0.00 H ATOM 1263 N LEU A 135 8.226 33.359 -0.940 1.00 19.41 N ATOM 1264 CA LEU A 135 7.817 32.815 0.352 1.00 17.77 C ATOM 1265 C LEU A 135 6.307 32.668 0.414 1.00 19.04 C ATOM 1266 O LEU A 135 5.790 31.631 0.853 1.00 21.18 O ATOM 1267 CB LEU A 135 8.311 33.705 1.491 1.00 19.09 C ATOM 1268 CG LEU A 135 7.781 33.337 2.878 1.00 21.57 C ATOM 1269 CD1 LEU A 135 8.258 31.969 3.310 1.00 22.27 C ATOM 1270 CD2 LEU A 135 8.188 34.410 3.893 1.00 23.21 C ATOM 1271 H LEU A 135 8.607 34.325 -1.001 1.00 0.00 H ATOM 1272 N ILE A 136 5.590 33.677 -0.080 1.00 21.39 N ATOM 1273 CA ILE A 136 4.136 33.602 -0.145 1.00 23.49 C ATOM 1274 C ILE A 136 3.702 32.403 -0.979 1.00 25.43 C ATOM 1275 O ILE A 136 2.789 31.667 -0.588 1.00 24.48 O ATOM 1276 CB ILE A 136 3.566 34.920 -0.697 1.00 27.82 C ATOM 1277 CG1 ILE A 136 4.016 36.101 0.170 1.00 31.64 C ATOM 1278 CG2 ILE A 136 2.044 34.853 -0.823 1.00 34.72 C ATOM 1279 CD1 ILE A 136 3.660 35.999 1.618 1.00 32.45 C ATOM 1280 H ILE A 136 6.075 34.530 -0.424 1.00 0.00 H ATOM 1281 N MET A 137 4.348 32.185 -2.137 1.00 20.57 N ATOM 1282 CA MET A 137 3.997 31.047 -2.985 1.00 22.74 C ATOM 1283 C MET A 137 4.095 29.737 -2.215 1.00 22.23 C ATOM 1284 O MET A 137 3.179 28.908 -2.263 1.00 25.10 O ATOM 1285 CB MET A 137 4.896 30.991 -4.222 1.00 27.73 C ATOM 1286 CG MET A 137 4.841 32.198 -5.109 1.00 30.83 C ATOM 1287 SD MET A 137 6.081 32.091 -6.433 1.00 40.38 S ATOM 1288 CE MET A 137 6.354 33.829 -6.790 1.00 44.51 C ATOM 1289 H MET A 137 5.106 32.833 -2.433 1.00 0.00 H ATOM 1290 N GLU A 138 5.201 29.534 -1.491 1.00 21.43 N ATOM 1291 CA GLU A 138 5.391 28.266 -0.797 1.00 23.22 C ATOM 1292 C GLU A 138 4.408 28.114 0.358 1.00 25.96 C ATOM 1293 O GLU A 138 3.922 27.008 0.627 1.00 25.91 O ATOM 1294 CB GLU A 138 6.837 28.161 -0.318 1.00 26.43 C ATOM 1295 CG GLU A 138 7.199 26.849 0.275 1.00 32.05 C ATOM 1296 CD GLU A 138 7.402 25.712 -0.720 1.00 29.99 C ATOM 1297 OE1 GLU A 138 7.314 25.917 -1.947 1.00 31.22 O ATOM 1298 OE2 GLU A 138 7.681 24.588 -0.246 1.00 38.95 O ATOM 1299 H GLU A 138 5.924 30.279 -1.423 1.00 0.00 H ATOM 1300 N LEU A 139 4.082 29.211 1.044 1.00 23.73 N ATOM 1301 CA LEU A 139 3.056 29.136 2.081 1.00 27.40 C ATOM 1302 C LEU A 139 1.720 28.694 1.498 1.00 30.49 C ATOM 1303 O LEU A 139 0.992 27.904 2.117 1.00 25.11 O ATOM 1304 CB LEU A 139 2.906 30.487 2.780 1.00 24.32 C ATOM 1305 CG LEU A 139 4.039 30.881 3.719 1.00 27.32 C ATOM 1306 CD1 LEU A 139 3.842 32.336 4.164 1.00 23.73 C ATOM 1307 CD2 LEU A 139 4.087 29.957 4.906 1.00 26.86 C ATOM 1308 H LEU A 139 4.556 30.114 0.842 1.00 0.00 H ATOM 1309 N LYS A 140 1.380 29.205 0.312 1.00 23.72 N ATOM 1310 CA LYS A 140 0.151 28.799 -0.362 1.00 20.59 C ATOM 1311 C LYS A 140 0.187 27.329 -0.751 1.00 24.78 C ATOM 1312 O LYS A 140 -0.819 26.626 -0.625 1.00 24.69 O ATOM 1313 CB LYS A 140 -0.065 29.643 -1.607 1.00 25.43 C ATOM 1314 CG LYS A 140 -0.581 31.041 -1.373 1.00 29.43 C ATOM 1315 CD LYS A 140 -0.801 31.686 -2.722 1.00 33.22 C ATOM 1316 CE LYS A 140 -1.246 33.139 -2.642 1.00 38.28 C ATOM 1317 NZ LYS A 140 -1.137 33.747 -4.000 1.00 39.46 N ATOM 1318 HZ1 LYS A 140 -0.150 33.696 -4.323 1.00 0.00 H ATOM 1319 HZ2 LYS A 140 -1.747 33.226 -4.662 1.00 0.00 H ATOM 1320 HZ3 LYS A 140 -1.439 34.741 -3.959 1.00 0.00 H ATOM 1321 H LYS A 140 2.002 29.905 -0.140 1.00 0.00 H ATOM 1322 N ILE A 141 1.313 26.858 -1.290 1.00 22.41 N ATOM 1323 CA ILE A 141 1.395 25.449 -1.669 1.00 23.60 C ATOM 1324 C ILE A 141 1.171 24.558 -0.450 1.00 23.82 C ATOM 1325 O ILE A 141 0.533 23.500 -0.541 1.00 26.46 O ATOM 1326 CB ILE A 141 2.745 25.166 -2.355 1.00 26.99 C ATOM 1327 CG1 ILE A 141 2.804 25.906 -3.692 1.00 27.50 C ATOM 1328 CG2 ILE A 141 2.953 23.663 -2.558 1.00 30.09 C ATOM 1329 CD1 ILE A 141 4.213 26.079 -4.254 1.00 29.55 C ATOM 1330 H ILE A 141 2.126 27.489 -1.439 1.00 0.00 H ATOM 1331 N HIS A 142 1.663 24.986 0.709 1.00 22.66 N ATOM 1332 CA HIS A 142 1.487 24.268 1.964 1.00 21.22 C ATOM 1333 C HIS A 142 0.138 24.528 2.604 1.00 27.61 C ATOM 1334 O HIS A 142 -0.123 23.977 3.676 1.00 25.14 O ATOM 1335 CB HIS A 142 2.586 24.655 2.958 1.00 20.68 C ATOM 1336 CG HIS A 142 3.897 23.999 2.677 1.00 27.67 C ATOM 1337 ND1 HIS A 142 4.302 22.849 3.316 1.00 32.14 N ATOM 1338 CD2 HIS A 142 4.880 24.312 1.801 1.00 31.12 C ATOM 1339 CE1 HIS A 142 5.490 22.492 2.861 1.00 28.59 C ATOM 1340 NE2 HIS A 142 5.861 23.361 1.938 1.00 37.60 N ATOM 1341 H HIS A 142 2.200 25.877 0.720 1.00 0.00 H ATOM 1342 N GLU A 143 -0.693 25.376 1.997 1.00 24.02 N ATOM 1343 CA GLU A 143 -2.089 25.581 2.390 1.00 24.83 C ATOM 1344 C GLU A 143 -2.211 26.241 3.761 1.00 25.42 C ATOM 1345 O GLU A 143 -3.176 25.997 4.497 1.00 28.20 O ATOM 1346 CB GLU A 143 -2.889 24.268 2.317 1.00 25.38 C ATOM 1347 CG GLU A 143 -3.026 23.768 0.871 1.00 28.83 C ATOM 1348 CD GLU A 143 -3.901 22.533 0.713 1.00 40.93 C ATOM 1349 OE1 GLU A 143 -3.721 21.563 1.478 1.00 48.88 O ATOM 1350 OE2 GLU A 143 -4.764 22.532 -0.186 1.00 44.38 O ATOM 1351 H GLU A 143 -0.327 25.926 1.194 1.00 0.00 H ATOM 1352 N PHE A 144 -1.259 27.113 4.077 1.00 27.03 N ATOM 1353 CA PHE A 144 -1.387 28.022 5.204 1.00 25.69 C ATOM 1354 C PHE A 144 -2.360 29.138 4.849 1.00 36.77 C ATOM 1355 O PHE A 144 -2.268 29.732 3.771 1.00 41.47 O ATOM 1356 CB PHE A 144 -0.015 28.583 5.586 1.00 23.64 C ATOM 1357 CG PHE A 144 0.853 27.579 6.288 1.00 23.41 C ATOM 1358 CD1 PHE A 144 0.594 27.246 7.604 1.00 18.90 C ATOM 1359 CD2 PHE A 144 1.893 26.936 5.625 1.00 21.03 C ATOM 1360 CE1 PHE A 144 1.358 26.299 8.265 1.00 19.56 C ATOM 1361 CE2 PHE A 144 2.675 25.997 6.283 1.00 20.31 C ATOM 1362 CZ PHE A 144 2.394 25.665 7.603 1.00 20.39 C ATOM 1363 H PHE A 144 -0.395 27.146 3.499 1.00 0.00 H ATOM 1364 N ASN A 145 -3.306 29.405 5.745 1.00 30.75 N ATOM 1365 CA ASN A 145 -4.299 30.461 5.538 1.00 28.58 C ATOM 1366 C ASN A 145 -3.616 31.802 5.795 1.00 33.61 C ATOM 1367 O ASN A 145 -3.394 32.180 6.944 1.00 31.10 O ATOM 1368 CB ASN A 145 -5.491 30.247 6.466 1.00 27.09 C ATOM 1369 CG ASN A 145 -6.670 31.134 6.120 1.00 41.51 C ATOM 1370 OD1 ASN A 145 -6.505 32.188 5.510 1.00 47.39 O ATOM 1371 ND2 ASN A 145 -7.869 30.713 6.510 1.00 49.21 N ATOM 1372 HD22 ASN A 145 -7.963 29.814 7.024 1.00 0.00 H ATOM 1373 HD21 ASN A 145 -8.714 31.283 6.301 1.00 0.00 H ATOM 1374 H ASN A 145 -3.342 28.846 6.621 1.00 0.00 H ATOM 1375 N LEU A 146 -3.286 32.533 4.721 1.00 34.55 N ATOM 1376 CA LEU A 146 -2.501 33.757 4.874 1.00 35.02 C ATOM 1377 C LEU A 146 -3.199 34.784 5.756 1.00 31.34 C ATOM 1378 O LEU A 146 -2.531 35.581 6.421 1.00 28.91 O ATOM 1379 CB LEU A 146 -2.195 34.371 3.510 1.00 34.10 C ATOM 1380 CG LEU A 146 -1.286 33.523 2.623 1.00 37.06 C ATOM 1381 CD1 LEU A 146 -1.169 34.104 1.219 1.00 32.29 C ATOM 1382 CD2 LEU A 146 0.087 33.376 3.263 1.00 34.24 C ATOM 1383 H LEU A 146 -3.590 32.228 3.774 1.00 0.00 H ATOM 1384 N GLU A 147 -4.529 34.772 5.794 1.00 33.23 N ATOM 1385 CA GLU A 147 -5.256 35.650 6.699 1.00 38.73 C ATOM 1386 C GLU A 147 -5.045 35.277 8.159 1.00 34.81 C ATOM 1387 O GLU A 147 -5.362 36.082 9.043 1.00 32.28 O ATOM 1388 CB GLU A 147 -6.751 35.621 6.371 1.00 51.12 C ATOM 1389 CG GLU A 147 -7.054 35.302 4.917 1.00 60.43 C ATOM 1390 CD GLU A 147 -8.534 35.092 4.657 1.00 66.50 C ATOM 1391 OE1 GLU A 147 -9.265 36.098 4.531 1.00 68.54 O ATOM 1392 OE2 GLU A 147 -8.963 33.920 4.575 1.00 68.32 O ATOM 1393 H GLU A 147 -5.055 34.128 5.170 1.00 0.00 H ATOM 1394 N GLY A 148 -4.521 34.084 8.427 1.00 33.19 N ATOM 1395 CA GLY A 148 -4.232 33.635 9.771 1.00 24.92 C ATOM 1396 C GLY A 148 -2.799 33.832 10.208 1.00 21.92 C ATOM 1397 O GLY A 148 -2.422 33.340 11.278 1.00 22.04 O ATOM 1398 H GLY A 148 -4.310 33.445 7.634 1.00 0.00 H ATOM 1399 N LEU A 149 -1.997 34.544 9.432 1.00 22.82 N ATOM 1400 CA LEU A 149 -0.634 34.845 9.829 1.00 22.87 C ATOM 1401 C LEU A 149 -0.627 35.707 11.079 1.00 21.14 C ATOM 1402 O LEU A 149 -1.299 36.743 11.139 1.00 22.69 O ATOM 1403 CB LEU A 149 0.089 35.556 8.684 1.00 21.76 C ATOM 1404 CG LEU A 149 1.451 36.138 9.046 1.00 25.03 C ATOM 1405 CD1 LEU A 149 2.466 35.057 9.242 1.00 26.04 C ATOM 1406 CD2 LEU A 149 1.893 37.101 7.941 1.00 34.00 C ATOM 1407 H LEU A 149 -2.351 34.895 8.519 1.00 0.00 H ATOM 1408 N ILE A 150 0.106 35.254 12.100 1.00 19.20 N ATOM 1409 CA ILE A 150 0.309 36.059 13.298 1.00 19.30 C ATOM 1410 C ILE A 150 1.450 37.034 13.044 1.00 20.91 C ATOM 1411 O ILE A 150 2.555 36.631 12.658 1.00 22.73 O ATOM 1412 CB ILE A 150 0.615 35.173 14.512 1.00 17.17 C ATOM 1413 CG1 ILE A 150 -0.524 34.184 14.753 1.00 17.92 C ATOM 1414 CG2 ILE A 150 0.846 36.052 15.760 1.00 19.73 C ATOM 1415 CD1 ILE A 150 -0.176 33.101 15.766 1.00 19.00 C ATOM 1416 H ILE A 150 0.539 34.311 12.039 1.00 0.00 H ATOM 1417 N LYS A 151 1.197 38.314 13.299 1.00 21.02 N ATOM 1418 CA LYS A 151 2.254 39.273 13.018 1.00 21.80 C ATOM 1419 C LYS A 151 2.971 39.670 14.298 1.00 21.72 C ATOM 1420 O LYS A 151 2.325 39.898 15.320 1.00 23.02 O ATOM 1421 CB LYS A 151 1.680 40.522 12.352 1.00 29.28 C ATOM 1422 CG LYS A 151 0.784 40.188 11.174 1.00 37.04 C ATOM 1423 CD LYS A 151 0.596 41.366 10.241 1.00 40.12 C ATOM 1424 CE LYS A 151 0.564 40.907 8.791 1.00 48.46 C ATOM 1425 NZ LYS A 151 0.106 42.009 7.888 1.00 49.23 N ATOM 1426 HZ1 LYS A 151 -0.851 42.307 8.165 1.00 0.00 H ATOM 1427 HZ2 LYS A 151 0.758 42.815 7.968 1.00 0.00 H ATOM 1428 HZ3 LYS A 151 0.094 41.668 6.906 1.00 0.00 H ATOM 1429 H LYS A 151 0.280 38.618 13.684 1.00 0.00 H ATOM 1430 N PRO A 152 4.301 39.744 14.268 1.00 19.67 N ATOM 1431 CA PRO A 152 5.039 40.169 15.461 1.00 17.02 C ATOM 1432 C PRO A 152 4.827 41.637 15.787 1.00 21.82 C ATOM 1433 O PRO A 152 4.604 42.483 14.911 1.00 21.80 O ATOM 1434 CB PRO A 152 6.503 39.899 15.097 1.00 19.60 C ATOM 1435 CG PRO A 152 6.526 39.967 13.605 1.00 22.71 C ATOM 1436 CD PRO A 152 5.202 39.392 13.154 1.00 19.10 C ATOM 1437 N THR A 153 4.909 41.937 17.081 1.00 21.18 N ATOM 1438 CA THR A 153 5.120 43.310 17.495 1.00 22.60 C ATOM 1439 C THR A 153 6.553 43.713 17.163 1.00 22.51 C ATOM 1440 O THR A 153 7.400 42.871 16.848 1.00 23.53 O ATOM 1441 CB THR A 153 4.856 43.474 18.992 1.00 25.34 C ATOM 1442 OG1 THR A 153 5.742 42.617 19.720 1.00 29.09 O ATOM 1443 CG2 THR A 153 3.432 43.091 19.322 1.00 27.81 C ATOM 1444 HG1 THR A 153 5.583 41.677 19.454 1.00 0.00 H ATOM 1445 H THR A 153 4.822 41.186 17.795 1.00 0.00 H ATOM 1446 N ARG A 154 6.824 45.017 17.261 1.00 22.40 N ATOM 1447 CA ARG A 154 8.111 45.558 16.833 1.00 23.22 C ATOM 1448 C ARG A 154 9.271 44.914 17.584 1.00 29.05 C ATOM 1449 O ARG A 154 10.281 44.536 16.981 1.00 25.10 O ATOM 1450 CB ARG A 154 8.125 47.078 17.028 1.00 25.35 C ATOM 1451 CG ARG A 154 9.311 47.752 16.329 1.00 26.67 C ATOM 1452 CD ARG A 154 9.305 49.253 16.503 1.00 33.17 C ATOM 1453 NE ARG A 154 8.170 49.940 15.884 1.00 32.62 N ATOM 1454 CZ ARG A 154 8.042 50.183 14.582 1.00 34.18 C ATOM 1455 NH1 ARG A 154 8.976 49.776 13.733 1.00 34.24 N ATOM 1456 NH2 ARG A 154 6.979 50.850 14.130 1.00 34.70 N ATOM 1457 HE ARG A 154 7.405 50.263 16.510 1.00 0.00 H ATOM 1458 HH12 ARG A 154 8.873 49.967 12.716 1.00 0.00 H ATOM 1459 HH11 ARG A 154 9.811 49.265 14.084 1.00 0.00 H ATOM 1460 HH22 ARG A 154 6.878 51.040 13.112 1.00 0.00 H ATOM 1461 HH21 ARG A 154 6.251 51.180 14.795 1.00 0.00 H ATOM 1462 H ARG A 154 6.105 45.660 17.650 1.00 0.00 H ATOM 1463 N SER A 155 9.140 44.768 18.905 1.00 24.10 N ATOM 1464 CA SER A 155 10.225 44.203 19.696 1.00 24.97 C ATOM 1465 C SER A 155 10.436 42.715 19.454 1.00 28.07 C ATOM 1466 O SER A 155 11.498 42.194 19.814 1.00 27.43 O ATOM 1467 CB SER A 155 9.957 44.415 21.182 1.00 26.39 C ATOM 1468 OG SER A 155 8.815 43.666 21.566 1.00 29.37 O ATOM 1469 HG SER A 155 8.641 43.803 22.531 1.00 0.00 H ATOM 1470 H SER A 155 8.258 45.060 19.372 1.00 0.00 H ATOM 1471 N GLN A 156 9.447 42.011 18.907 1.00 21.97 N ATOM 1472 CA GLN A 156 9.576 40.581 18.679 1.00 22.02 C ATOM 1473 C GLN A 156 9.919 40.242 17.233 1.00 20.27 C ATOM 1474 O GLN A 156 10.214 39.082 16.938 1.00 22.77 O ATOM 1475 CB GLN A 156 8.286 39.853 19.094 1.00 26.88 C ATOM 1476 CG GLN A 156 7.928 39.956 20.590 1.00 30.95 C ATOM 1477 CD GLN A 156 9.099 39.659 21.529 1.00 35.88 C ATOM 1478 OE1 GLN A 156 9.558 38.516 21.637 1.00 35.85 O ATOM 1479 NE2 GLN A 156 9.578 40.698 22.227 1.00 35.41 N ATOM 1480 HE22 GLN A 156 9.161 41.643 22.105 1.00 0.00 H ATOM 1481 HE21 GLN A 156 10.366 40.559 22.891 1.00 0.00 H ATOM 1482 H GLN A 156 8.566 42.493 18.638 1.00 0.00 H ATOM 1483 N ALA A 157 9.936 41.230 16.341 1.00 20.59 N ATOM 1484 CA ALA A 157 10.190 40.959 14.930 1.00 20.83 C ATOM 1485 C ALA A 157 11.661 40.638 14.694 1.00 20.19 C ATOM 1486 O ALA A 157 12.548 41.058 15.446 1.00 24.27 O ATOM 1487 CB ALA A 157 9.772 42.161 14.080 1.00 20.37 C ATOM 1488 H ALA A 157 9.766 42.207 16.654 1.00 0.00 H ATOM 1489 N SER A 158 11.910 39.869 13.639 1.00 19.56 N ATOM 1490 CA SER A 158 13.277 39.521 13.282 1.00 20.91 C ATOM 1491 C SER A 158 14.084 40.766 12.965 1.00 26.49 C ATOM 1492 O SER A 158 13.592 41.712 12.341 1.00 26.52 O ATOM 1493 CB SER A 158 13.297 38.593 12.075 1.00 20.10 C ATOM 1494 OG SER A 158 14.631 38.373 11.628 1.00 22.29 O ATOM 1495 HG SER A 158 15.158 37.960 12.357 1.00 0.00 H ATOM 1496 H SER A 158 11.121 39.513 13.063 1.00 0.00 H ATOM 1497 N GLN A 159 15.335 40.754 13.397 1.00 28.54 N ATOM 1498 CA GLN A 159 16.264 41.828 13.100 1.00 27.45 C ATOM 1499 C GLN A 159 17.203 41.461 11.961 1.00 28.40 C ATOM 1500 O GLN A 159 18.152 42.204 11.686 1.00 35.11 O ATOM 1501 CB GLN A 159 17.035 42.207 14.367 1.00 36.25 C ATOM 1502 CG GLN A 159 16.147 42.978 15.358 1.00 41.07 C ATOM 1503 CD GLN A 159 16.638 42.914 16.798 1.00 55.51 C ATOM 1504 OE1 GLN A 159 17.788 42.562 17.064 1.00 61.06 O ATOM 1505 NE2 GLN A 159 15.764 43.272 17.734 1.00 54.42 N ATOM 1506 HE22 GLN A 159 14.803 43.562 17.464 1.00 0.00 H ATOM 1507 HE21 GLN A 159 16.042 43.262 18.736 1.00 0.00 H ATOM 1508 H GLN A 159 15.663 39.949 13.968 1.00 0.00 H ATOM 1509 N GLU A 160 16.952 40.338 11.287 1.00 26.99 N ATOM 1510 CA GLU A 160 17.736 39.965 10.115 1.00 30.59 C ATOM 1511 C GLU A 160 17.463 40.939 8.973 1.00 34.53 C ATOM 1512 O GLU A 160 16.308 41.255 8.674 1.00 34.72 O ATOM 1513 CB GLU A 160 17.406 38.533 9.696 1.00 30.84 C ATOM 1514 CG GLU A 160 17.897 37.480 10.681 1.00 31.30 C ATOM 1515 CD GLU A 160 19.400 37.550 10.911 1.00 44.57 C ATOM 1516 OE1 GLU A 160 20.148 37.765 9.936 1.00 43.34 O ATOM 1517 OE2 GLU A 160 19.834 37.396 12.070 1.00 47.71 O ATOM 1518 H GLU A 160 16.181 39.715 11.604 1.00 0.00 H ATOM 1519 N LYS A 161 18.534 41.422 8.336 1.00 43.08 N ATOM 1520 CA LYS A 161 18.380 42.446 7.306 1.00 42.19 C ATOM 1521 C LYS A 161 17.597 41.938 6.100 1.00 38.69 C ATOM 1522 O LYS A 161 16.906 42.725 5.443 1.00 41.72 O ATOM 1523 CB LYS A 161 19.749 42.971 6.866 1.00 47.17 C ATOM 1524 CG LYS A 161 20.535 43.678 7.966 1.00 57.78 C ATOM 1525 CD LYS A 161 19.861 44.973 8.398 1.00 61.80 C ATOM 1526 CE LYS A 161 20.773 45.812 9.292 1.00 67.30 C ATOM 1527 NZ LYS A 161 21.054 45.151 10.598 1.00 64.62 N ATOM 1528 HZ1 LYS A 161 20.160 44.996 11.106 1.00 0.00 H ATOM 1529 HZ2 LYS A 161 21.521 44.237 10.429 1.00 0.00 H ATOM 1530 HZ3 LYS A 161 21.676 45.760 11.167 1.00 0.00 H ATOM 1531 H LYS A 161 19.482 41.067 8.575 1.00 0.00 H ATOM 1532 N HIS A 162 17.666 40.636 5.805 1.00 33.93 N ATOM 1533 CA HIS A 162 16.921 40.096 4.669 1.00 32.51 C ATOM 1534 C HIS A 162 15.434 40.395 4.760 1.00 30.30 C ATOM 1535 O HIS A 162 14.751 40.428 3.728 1.00 30.84 O ATOM 1536 CB HIS A 162 17.114 38.578 4.567 1.00 37.34 C ATOM 1537 CG HIS A 162 16.792 38.009 3.216 1.00 37.41 C ATOM 1538 ND1 HIS A 162 17.752 37.808 2.249 1.00 39.82 N ATOM 1539 CD2 HIS A 162 15.624 37.580 2.679 1.00 34.57 C ATOM 1540 CE1 HIS A 162 17.191 37.290 1.170 1.00 39.26 C ATOM 1541 NE2 HIS A 162 15.899 37.147 1.401 1.00 37.40 N ATOM 1542 H HIS A 162 18.253 40.004 6.387 1.00 0.00 H ATOM 1543 N PHE A 163 14.910 40.595 5.967 1.00 30.48 N ATOM 1544 CA PHE A 163 13.473 40.689 6.176 1.00 24.52 C ATOM 1545 C PHE A 163 12.998 42.114 6.407 1.00 30.73 C ATOM 1546 O PHE A 163 11.816 42.316 6.692 1.00 27.07 O ATOM 1547 CB PHE A 163 13.046 39.805 7.355 1.00 23.05 C ATOM 1548 CG PHE A 163 13.461 38.370 7.205 1.00 27.30 C ATOM 1549 CD1 PHE A 163 13.264 37.705 6.006 1.00 33.81 C ATOM 1550 CD2 PHE A 163 14.057 37.691 8.254 1.00 25.19 C ATOM 1551 CE1 PHE A 163 13.648 36.393 5.860 1.00 38.70 C ATOM 1552 CE2 PHE A 163 14.453 36.372 8.103 1.00 24.87 C ATOM 1553 CZ PHE A 163 14.248 35.729 6.910 1.00 32.03 C ATOM 1554 H PHE A 163 15.546 40.687 6.785 1.00 0.00 H ATOM 1555 N THR A 164 13.885 43.106 6.288 1.00 35.89 N ATOM 1556 CA THR A 164 13.486 44.487 6.535 1.00 36.73 C ATOM 1557 C THR A 164 12.251 44.859 5.726 1.00 34.65 C ATOM 1558 O THR A 164 11.347 45.537 6.229 1.00 41.41 O ATOM 1559 CB THR A 164 14.647 45.423 6.210 1.00 38.67 C ATOM 1560 OG1 THR A 164 15.771 45.077 7.027 1.00 44.78 O ATOM 1561 CG2 THR A 164 14.256 46.873 6.488 1.00 40.62 C ATOM 1562 HG1 THR A 164 15.525 45.170 7.981 1.00 0.00 H ATOM 1563 H THR A 164 14.866 42.892 6.018 1.00 0.00 H ATOM 1564 N ASP A 165 12.170 44.380 4.488 1.00 35.15 N ATOM 1565 CA ASP A 165 11.063 44.700 3.603 1.00 36.67 C ATOM 1566 C ASP A 165 10.063 43.556 3.461 1.00 32.04 C ATOM 1567 O ASP A 165 9.231 43.585 2.549 1.00 35.05 O ATOM 1568 CB ASP A 165 11.603 45.123 2.235 1.00 36.99 C ATOM 1569 CG ASP A 165 12.420 46.396 2.308 1.00 51.28 C ATOM 1570 OD1 ASP A 165 12.109 47.242 3.174 1.00 50.80 O ATOM 1571 OD2 ASP A 165 13.367 46.558 1.502 1.00 50.97 O ATOM 1572 H ASP A 165 12.925 43.755 4.141 1.00 0.00 H ATOM 1573 N TYR A 166 10.115 42.557 4.344 1.00 27.81 N ATOM 1574 CA TYR A 166 9.112 41.489 4.385 1.00 23.91 C ATOM 1575 C TYR A 166 7.922 41.992 5.206 1.00 26.65 C ATOM 1576 O TYR A 166 7.698 41.601 6.353 1.00 27.70 O ATOM 1577 CB TYR A 166 9.689 40.213 4.988 1.00 20.51 C ATOM 1578 CG TYR A 166 10.439 39.291 4.033 1.00 24.45 C ATOM 1579 CD1 TYR A 166 11.396 39.784 3.161 1.00 27.57 C ATOM 1580 CD2 TYR A 166 10.194 37.924 4.028 1.00 18.91 C ATOM 1581 CE1 TYR A 166 12.083 38.939 2.299 1.00 22.21 C ATOM 1582 CE2 TYR A 166 10.872 37.063 3.152 1.00 19.79 C ATOM 1583 CZ TYR A 166 11.819 37.581 2.298 1.00 21.61 C ATOM 1584 OH TYR A 166 12.499 36.742 1.439 1.00 29.44 O ATOM 1585 HH TYR A 166 13.138 37.272 0.899 1.00 0.00 H ATOM 1586 H TYR A 166 10.897 42.535 5.029 1.00 0.00 H ATOM 1587 N VAL A 167 7.152 42.885 4.593 1.00 31.48 N ATOM 1588 CA VAL A 167 6.174 43.662 5.345 1.00 36.11 C ATOM 1589 C VAL A 167 4.762 43.493 4.798 1.00 43.99 C ATOM 1590 O VAL A 167 3.777 43.779 5.497 1.00 41.34 O ATOM 1591 CB VAL A 167 6.574 45.141 5.359 1.00 34.13 C ATOM 1592 CG1 VAL A 167 7.737 45.353 6.319 1.00 35.07 C ATOM 1593 CG2 VAL A 167 6.939 45.600 3.961 1.00 43.71 C ATOM 1594 OXT VAL A 167 4.581 43.079 3.653 1.00 41.74 O ATOM 1595 H VAL A 167 7.248 43.031 3.568 1.00 0.00 H TER 1596 VAL A 167 HETATM 1597 O HOH 1 -6.151 10.540 11.499 1.00 46.72 O HETATM 1598 O HOH 2 0.640 36.163 22.847 1.00 34.86 O HETATM 1599 O HOH 3 15.792 0.686 23.333 1.00 48.67 O HETATM 1600 O HOH 4 15.560 42.962 -8.182 1.00 57.35 O HETATM 1601 O HOH 5 10.096 25.849 19.890 1.00 37.82 O HETATM 1602 O HOH 6 22.136 -0.606 7.694 1.00 56.77 O HETATM 1603 O HOH 7 12.609 31.616 16.302 1.00 24.13 O HETATM 1604 O HOH 8 24.054 18.752 8.411 1.00 41.00 O HETATM 1605 O HOH 9 7.424 27.110 -4.139 1.00 31.40 O HETATM 1606 O HOH 10 -4.401 18.221 11.689 1.00 31.48 O HETATM 1607 O HOH 11 18.900 38.555 14.097 1.00 43.82 O HETATM 1608 O HOH 12 -1.582 29.962 26.444 1.00 37.74 O HETATM 1609 O HOH 13 5.222 37.842 21.490 1.00 38.77 O HETATM 1610 O HOH 14 18.548 19.264 13.326 1.00 36.38 O HETATM 1611 O HOH 15 0.416 18.786 10.060 1.00 49.49 O HETATM 1612 O HOH 16 -5.466 21.858 7.484 1.00 42.84 O HETATM 1613 O HOH 17 22.398 19.446 11.140 1.00 40.20 O HETATM 1614 O HOH 18 14.824 6.648 10.718 1.00 34.16 O HETATM 1615 O HOH 19 13.590 30.388 18.469 1.00 37.40 O HETATM 1616 O HOH 20 -10.259 20.523 18.138 1.00 33.93 O HETATM 1617 O HOH 21 9.036 29.421 -3.475 1.00 24.39 O HETATM 1618 O HOH 22 19.444 28.399 19.316 1.00 40.85 O HETATM 1619 O HOH 23 12.771 43.729 16.770 1.00 38.39 O HETATM 1620 O HOH 24 -3.143 26.515 -1.854 1.00 38.09 O HETATM 1621 O HOH 25 28.023 11.615 5.446 1.00 38.44 O HETATM 1622 O HOH 26 9.534 29.302 -6.330 1.00 38.41 O HETATM 1623 O HOH 27 14.246 42.433 9.846 1.00 40.76 O HETATM 1624 O HOH 28 22.844 5.625 15.136 1.00 27.92 O HETATM 1625 O HOH 29 -2.545 26.116 13.088 1.00 18.40 O HETATM 1626 O HOH 30 14.844 20.422 0.413 1.00 34.48 O HETATM 1627 O HOH 31 12.354 6.257 16.954 1.00 49.99 O HETATM 1628 O HOH 32 2.278 39.065 17.866 1.00 28.53 O HETATM 1629 O HOH 33 -1.947 21.542 23.068 1.00 38.53 O HETATM 1630 O HOH 34 -1.685 38.120 6.665 1.00 39.97 O HETATM 1631 O HOH 35 6.287 19.712 3.457 1.00 48.26 O HETATM 1632 O HOH 36 4.822 35.516 11.692 1.00 16.69 O HETATM 1633 O HOH 37 -14.122 25.506 16.508 1.00 36.50 O HETATM 1634 O HOH 38 16.293 38.023 14.693 1.00 37.31 O HETATM 1635 O HOH 39 13.024 44.286 12.970 1.00 40.58 O HETATM 1636 O HOH 40 14.518 4.528 12.436 1.00 40.16 O HETATM 1637 O HOH 41 -9.838 29.366 21.108 1.00 53.87 O HETATM 1638 O HOH 42 19.914 19.259 -0.051 1.00 29.98 O HETATM 1639 O HOH 43 12.715 21.178 -1.198 1.00 36.71 O HETATM 1640 O HOH 44 -7.109 36.423 11.110 1.00 50.68 O HETATM 1641 O HOH 45 11.096 21.329 5.919 1.00 21.58 O HETATM 1642 O HOH 46 17.695 31.007 3.307 1.00 23.67 O HETATM 1643 O HOH 47 -2.516 38.635 9.586 1.00 38.82 O HETATM 1644 O HOH 48 -5.146 26.265 13.835 1.00 20.71 O HETATM 1645 O HOH 49 14.130 20.773 8.722 1.00 20.99 O HETATM 1646 O HOH 50 22.553 1.553 9.214 1.00 49.32 O HETATM 1647 O HOH 51 -0.016 21.038 0.566 1.00 37.55 O HETATM 1648 O HOH 52 10.981 47.141 8.451 1.00 39.94 O HETATM 1649 O HOH 53 -7.566 31.928 10.252 1.00 38.44 O HETATM 1650 O HOH 54 29.020 9.457 5.639 1.00 35.33 O HETATM 1651 O HOH 55 4.486 42.565 12.136 1.00 22.96 O HETATM 1652 O HOH 56 19.089 25.822 -0.626 1.00 25.17 O HETATM 1653 O HOH 57 26.539 17.197 2.189 1.00 35.56 O HETATM 1654 O HOH 58 -3.511 29.267 1.298 1.00 50.36 O HETATM 1655 O HOH 59 9.603 22.790 -1.280 1.00 35.48 O HETATM 1656 O HOH 60 16.535 33.373 9.742 1.00 33.36 O HETATM 1657 O HOH 61 16.473 11.361 6.264 1.00 26.91 O HETATM 1658 O HOH 62 -4.010 34.474 13.348 1.00 33.25 O HETATM 1659 O HOH 63 7.540 22.463 19.826 1.00 42.90 O HETATM 1660 O HOH 64 23.346 25.017 12.395 1.00 44.21 O HETATM 1661 O HOH 65 -6.423 25.436 7.390 1.00 32.35 O HETATM 1662 O HOH 66 1.623 33.642 -4.759 1.00 40.10 O HETATM 1663 O HOH 67 20.943 -1.582 15.637 1.00 38.01 O HETATM 1664 O HOH 68 19.112 26.220 -5.529 1.00 33.68 O HETATM 1665 O HOH 69 12.831 24.560 22.339 1.00 55.88 O HETATM 1666 O HOH 70 3.865 47.460 10.358 1.00 28.42 O HETATM 1667 O HOH 71 22.391 24.168 15.650 1.00 41.08 O HETATM 1668 O HOH 72 28.164 22.078 1.048 1.00 53.71 O HETATM 1669 O HOH 73 -7.835 20.605 11.121 1.00 31.64 O HETATM 1670 O HOH 74 -1.434 39.225 14.107 1.00 32.09 O HETATM 1671 O HOH 75 15.821 37.628 17.341 1.00 25.97 O HETATM 1672 O HOH 76 10.383 50.378 11.257 1.00 52.02 O HETATM 1673 O HOH 77 3.632 35.635 -4.423 1.00 37.94 O HETATM 1674 O HOH 78 16.239 14.187 5.311 1.00 30.76 O HETATM 1675 O HOH 79 5.673 20.480 19.931 1.00 34.43 O HETATM 1676 O HOH 80 11.462 21.101 8.550 1.00 20.38 O HETATM 1677 O HOH 81 9.954 36.886 -7.365 1.00 30.89 O HETATM 1678 O HOH 82 26.604 35.447 -0.346 1.00 49.75 O HETATM 1679 O HOH 83 14.698 45.164 9.763 1.00 47.90 O HETATM 1680 O HOH 84 28.721 33.457 6.696 1.00 59.55 O HETATM 1681 O HOH 85 18.751 33.480 10.879 1.00 42.94 O HETATM 1682 O HOH 86 -4.851 31.706 2.347 1.00 46.68 O HETATM 1683 O HOH 87 2.268 44.281 15.271 1.00 36.32 O HETATM 1684 O HOH 88 26.547 23.949 5.263 1.00 53.62 O HETATM 1685 O HOH 89 21.196 41.041 9.679 1.00 41.68 O HETATM 1686 O HOH 90 10.986 45.554 14.240 1.00 33.49 O HETATM 1687 O HOH 91 23.480 1.321 12.267 1.00 36.93 O HETATM 1688 O HOH 92 -6.270 28.385 20.938 1.00 27.77 O HETATM 1689 O HOH 93 -0.018 38.729 19.226 1.00 36.25 O HETATM 1690 O HOH 94 24.031 8.623 11.792 1.00 32.66 O HETATM 1691 O HOH 95 3.175 21.148 21.532 1.00 31.27 O HETATM 1692 O HOH 96 4.754 39.704 19.389 1.00 25.00 O HETATM 1693 O HOH 97 -5.777 38.946 7.920 1.00 46.04 O HETATM 1694 O HOH 98 12.206 37.753 18.919 1.00 33.68 O HETATM 1695 O HOH 99 -0.287 15.717 22.415 1.00 49.55 O HETATM 1696 O HOH 100 -3.367 37.312 13.449 1.00 46.65 O HETATM 1697 O HOH 101 -11.033 27.223 11.146 1.00 45.24 O HETATM 1698 O HOH 102 -1.085 39.779 17.362 1.00 53.42 O HETATM 1699 O HOH 103 24.335 11.223 -0.441 1.00 33.91 O HETATM 1700 O HOH 104 12.731 28.025 19.428 1.00 47.57 O HETATM 1701 O HOH 105 7.415 25.013 20.256 1.00 40.28 O HETATM 1702 O HOH 106 17.977 40.448 19.522 1.00 42.02 O HETATM 1703 O HOH 107 11.378 23.208 -5.765 1.00 53.19 O HETATM 1704 O HOH 108 9.180 40.207 -3.813 1.00 38.62 O HETATM 1705 O HOH 109 13.297 -9.176 14.949 1.00 50.90 O HETATM 1706 O HOH 110 1.093 20.255 23.265 1.00 56.34 O HETATM 1707 O HOH 111 -8.480 27.384 7.089 1.00 48.52 O HETATM 1708 O HOH 112 14.112 39.576 18.294 1.00 52.51 O HETATM 1709 O HOH 113 13.692 5.900 14.384 1.00 43.83 O HETATM 1710 O HOH 114 27.157 15.634 6.338 1.00 46.47 O HETATM 1711 O HOH 115 26.726 17.933 8.896 1.00 40.93 O HETATM 1712 O HOH 116 22.831 15.039 -0.162 1.00 39.04 O HETATM 1713 O HOH 117 15.360 30.220 20.252 1.00 35.93 O HETATM 1714 O HOH 118 -11.886 22.725 16.776 1.00 42.82 O HETATM 1715 O HOH 119 20.878 21.093 -2.067 1.00 42.21 O HETATM 1716 O HOH 120 24.041 21.271 8.540 1.00 43.92 O HETATM 1717 O HOH 121 26.387 12.918 -0.737 1.00 44.72 O HETATM 1718 O HOH 122 2.060 19.824 -0.645 1.00 38.50 O HETATM 1719 O HOH 123 17.252 27.363 -10.772 1.00 47.23 O HETATM 1720 O HOH 124 23.066 -0.979 13.394 1.00 36.14 O HETATM 1721 O HOH 125 20.478 40.022 15.408 1.00 46.88 O HETATM 1722 O HOH 126 -5.808 37.555 12.821 1.00 54.22 O HETATM 1723 O HOH 127 26.086 15.631 -0.181 1.00 48.34 O HETATM 1724 O HOH 128 14.612 40.143 21.627 1.00 43.29 O HETATM 1725 O HOH 129 15.044 17.689 0.354 1.00 51.13 O HETATM 1726 O HOH 130 8.154 42.198 -2.445 1.00 42.14 O HETATM 1727 O HOH 131 12.814 18.691 -1.348 1.00 51.25 O HETATM 1728 O HOH 132 -7.555 17.581 11.117 1.00 44.37 O HETATM 1729 O HOH 133 -5.081 27.320 0.461 1.00 46.82 O HETATM 1730 O HOH 134 18.963 24.040 -2.518 1.00 32.04 O HETATM 1731 O HOH 135 21.329 17.166 -1.521 1.00 38.65 O HETATM 1732 O HOH 136 11.778 54.791 6.953 1.00 54.62 O HETATM 1733 O HOH 137 12.915 46.407 10.539 1.00 43.10 O HETATM 1734 O HOH 138 23.853 25.875 9.790 1.00 42.44 O HETATM 1735 O HOH 139 24.306 21.809 11.347 1.00 55.26 O HETATM 1736 O HOH 140 28.181 15.734 3.739 1.00 38.71 O HETATM 1737 O HOH 141 17.129 22.300 -2.879 1.00 49.41 O HETATM 1738 O HOH 142 13.565 54.273 4.684 1.00 57.84 O HETATM 1739 O HOH 143 9.562 19.661 9.885 1.00 25.79 O HETATM 1740 O HOH 144 8.796 15.253 18.480 1.00 48.21 O HETATM 1741 O HOH 145 14.513 23.465 17.751 1.00 40.93 O HETATM 1742 O HOH 146 12.435 25.392 18.392 1.00 40.12 O HETATM 1743 N ALA A 147 8.554 17.332 16.814 1.00 0.24 N HETATM 1744 CA ALA A 147 7.641 18.333 16.274 1.00 0.06 C HETATM 1745 C ALA A 147 8.180 18.963 14.988 1.00 0.23 C HETATM 1746 O ALA A 147 7.463 19.701 14.315 1.00 -0.39 O HETATM 1747 N ALA A 147 9.435 18.679 14.643 1.00 -0.26 N HETATM 1748 CA ALA A 147 9.931 18.961 13.288 1.00 0.11 C HETATM 1749 C ALA A 147 9.822 17.682 12.446 1.00 0.06 C HETATM 1750 O ALA A 147 10.093 17.671 11.237 1.00 -0.57 O HETATM 1751 OXT ALA A 147 9.458 16.605 12.939 1.00 -0.57 O HETATM 1752 CB ALA A 147 11.380 19.457 13.271 1.00 0.03 C HETATM 1753 CG ALA A 147 11.622 20.891 13.707 1.00 -0.00 C HETATM 1754 CD1 ALA A 147 11.855 21.204 15.045 1.00 -0.02 C HETATM 1755 CE1 ALA A 147 12.098 22.513 15.447 1.00 0.01 C HETATM 1756 CZ ALA A 147 12.113 23.526 14.519 1.00 0.17 C HETATM 1757 CE2 ALA A 147 11.890 23.244 13.175 1.00 0.01 C HETATM 1758 CD2 ALA A 147 11.654 21.935 12.777 1.00 -0.02 C HETATM 1759 H13 ALA A 147 11.492 21.718 11.727 1.00 0.07 H HETATM 1760 H15 ALA A 147 11.900 24.043 12.442 1.00 0.07 H HETATM 1761 OH ALA A 147 12.363 24.758 14.908 1.00 -0.20 O HETATM 1762 P ALA A 147 13.793 25.470 14.740 1.00 0.13 P HETATM 1763 O1P ALA A 147 14.034 25.785 13.257 1.00 -0.67 O HETATM 1764 O2P ALA A 147 13.772 26.790 15.527 1.00 -0.67 O HETATM 1765 O3P ALA A 147 14.837 24.538 15.287 1.00 -0.67 O HETATM 1766 H14 ALA A 147 12.276 22.734 16.493 1.00 0.07 H HETATM 1767 H12 ALA A 147 11.847 20.413 15.786 1.00 0.07 H HETATM 1768 H10 ALA A 147 11.754 19.356 12.241 1.00 0.06 H HETATM 1769 H11 ALA A 147 11.962 18.804 13.938 1.00 0.06 H HETATM 1770 H9 ALA A 147 9.296 19.740 12.842 1.00 0.08 H HETATM 1771 H8 ALA A 147 10.049 18.267 15.316 1.00 0.19 H HETATM 1772 CB ALA A 147 7.354 19.403 17.310 1.00 -0.00 C HETATM 1773 H5 ALA A 147 6.665 20.148 16.886 1.00 0.03 H HETATM 1774 H6 ALA A 147 8.294 19.895 17.599 1.00 0.03 H HETATM 1775 H7 ALA A 147 6.895 18.941 18.196 1.00 0.03 H HETATM 1776 H4 ALA A 147 6.694 17.829 16.031 1.00 0.11 H HETATM 1777 H1 ALA A 147 8.164 16.942 17.658 1.00 0.20 H HETATM 1778 H2 ALA A 147 9.441 17.764 17.022 1.00 0.20 H HETATM 1779 H3 ALA A 147 8.688 16.599 16.136 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1743 1744 1777 1778 1779 CONECT 1744 1743 1745 1772 1776 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 1748 1771 CONECT 1748 1747 1749 1752 1770 CONECT 1749 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 CONECT 1752 1748 1753 1768 1769 CONECT 1753 1752 1754 1758 CONECT 1754 1753 1755 1767 CONECT 1755 1754 1756 1766 CONECT 1756 1755 1757 1761 CONECT 1757 1756 1758 1760 CONECT 1758 1753 1757 1759 CONECT 1759 1758 CONECT 1760 1757 CONECT 1761 1756 1762 CONECT 1762 1761 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 CONECT 1766 1755 CONECT 1767 1754 CONECT 1768 1752 CONECT 1769 1752 CONECT 1770 1748 CONECT 1771 1747 CONECT 1772 1744 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1744 CONECT 1777 1743 CONECT 1778 1743 CONECT 1779 1743 MASTER 0 0 0 0 0 0 0 0 1778 1 41 13 END
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1jws
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1jwu
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1k3q
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13-mer
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1ow8
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13-mer
1r5v
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1r5w
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1rgj
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1sjh
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1sm3
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1thr
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RCSB PDB
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1uef
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1yvh
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1ywh
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1zhk
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1zhl
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2a25
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2c9t
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2dwx
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2fts
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2las
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2lct
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2lto
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2mc1
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2mkr
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2ndf
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2ndg
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2qki
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PDBbind
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2r0y
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13-mer
2rnx
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2v87
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PDBbind
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2vr3
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3ask
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3bum
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3bun
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3buo
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3buw
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3bux
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3c3o
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3c3r
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3coj
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3e1r
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3eg6
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3g2s
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3g2t
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3g2u
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3g2v
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3ml4
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3n5u
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13-mer
3nfk
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3nti
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3o1d
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3o1e
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3q5u
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3rqf
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3rqg
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3rz9
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3s7f
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3tdz
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3ui2
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4abi
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4abj
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4b9w
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4bea
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4bv2
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4f14
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4f20
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4ib5
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4jmg
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4jmh
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4m7c
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4mz5
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4mz6
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4n7h
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4po7
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4qh8
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4rme
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4um9
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4umn
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4w4z
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4wj7
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4x3e
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4yjl
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4z0d
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5cil
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5dd0
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5dxg
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13-mer
5eay
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13-mer
5eyz
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PDBbind
13-mer
5fyq
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5gg4
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PDBbind
13-mer
5h1e
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PDBbind
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5h7g
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PDBbind
13-mer
5hyr
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PDBbind
13-mer
5hyx
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PDBbind
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5jr2
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PDBbind
13-mer
5kgn
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PDBbind
13-mer
5lgp
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PDBbind
13-mer
5lu2
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PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
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PDBbind
13-mer
5t6j
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PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
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PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
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PDBbind
13-mer
5wgq
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PDBbind
13-mer
5yyz
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PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
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PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
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5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
6e8m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
LeSH (Llo2327)
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.61(Å)
Affinity (Kd/Ki/IC50)
Kd=0.53uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 4549-4549
Ligand Properties
Formula
C
1
2
H
1
9
N
2
O
7
P
Molecular Weight
334.262
Exact Mass
334.093
No. of atoms
41
No. of bonds
41
Polar Surface Area
177.55
LOGP Value
-2.60 (
Computed with XLOGP3
)
-1.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
Canonical SMILES
C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OP(O)(O)O)[NH3+]
InChI String
InChI=1S/C12H19N2O7P/c1-7(13)11(15)14-10(12(16)17)6-8-2-4-9(5-3-8)21-22(18,19)20/h2-5,7,10,18-20,22H,6,13H2,1H3,(H,14,15)(H,16,17)/p+1/t7-,10-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P31689
D3HJY4
Entrez Gene ID
NCBI Entrez Gene ID:
3301
ASD
Information of known allosteric effects of PDB entries
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