Browse entries in the PDBbind-CN Database
HEADER 5JNA_COMPLEX COMPND 5JNA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 132 ALA GLU SER HIS TRP CYS TYR GLU VAL GLN ALA GLU SER SEQRES 2 A 132 SER ASN TYR PRO CYS LEU VAL PRO VAL LYS TRP GLY GLY SEQRES 3 A 132 ASN CYS GLN LYS ASP ARG GLN SER PRO ILE ASN ILE VAL SEQRES 4 A 132 THR THR LYS ALA LYS VAL ASP LYS LYS LEU GLY ARG PHE SEQRES 5 A 132 PHE PHE SER GLY TYR ASP LYS LYS GLN THR TRP THR VAL SEQRES 6 A 132 GLN ASN ASN GLY HIS SER VAL MET MET LEU LEU GLU ASN SEQRES 7 A 132 LYS ALA SER ILE SER GLY GLY GLY LEU PRO ALA PRO TYR SEQRES 8 A 132 GLN ALA LYS GLN LEU HIS LEU HIS TRP SER ASP LEU PRO SEQRES 9 A 132 TYR LYS GLY SER GLU HIS SER LEU ASP GLY GLU HIS PHE SEQRES 10 A 132 ALA MET GLU MET HIS ILE VAL HIS GLU LYS GLU LYS GLY SEQRES 11 A 132 THR SER SEQRES 1 A 127 ASP PRO GLU ASP GLU ILE ALA VAL LEU ALA PHE LEU VAL SEQRES 2 A 127 GLU ALA GLY THR GLN VAL ASN GLU GLY PHE GLN PRO LEU SEQRES 3 A 127 VAL GLU ALA LEU SER ASN ILE PRO LYS PRO GLU MET SER SEQRES 4 A 127 THR THR MET ALA GLU SER SER LEU LEU ASP LEU LEU PRO SEQRES 5 A 127 LYS GLU GLU LYS LEU ARG HIS TYR PHE ARG TYR LEU GLY SEQRES 6 A 127 SER LEU THR THR PRO THR CYS ASP GLU LYS VAL VAL TRP SEQRES 7 A 127 THR VAL PHE ARG GLU PRO ILE GLN LEU HIS ARG GLU GLN SEQRES 8 A 127 ILE LEU ALA PHE SER GLN LYS LEU TYR TYR ASP LYS GLU SEQRES 9 A 127 GLN THR VAL SER MET LYS ASP ASN VAL ARG PRO LEU GLN SEQRES 10 A 127 GLN LEU GLY GLN ARG THR VAL ILE LYS SER HET ZN A 1 1 HET TOR A 489 43 SSBOND 1 CYS A 6 CYS A 11G SSBOND 2 CYS A 23 CYS A 203 ATOM 1 N ALA A 1 45.191 -5.874 27.963 1.00 49.61 N ATOM 2 CA ALA A 1 44.477 -6.367 26.757 1.00 46.29 C ATOM 3 C ALA A 1 45.418 -7.186 25.873 1.00 46.95 C ATOM 4 O ALA A 1 46.599 -6.851 25.723 1.00 48.66 O ATOM 5 CB ALA A 1 43.886 -5.198 25.983 1.00 43.17 C ATOM 6 HN3 ALA A 1 45.988 -5.273 27.671 1.00 0.00 H ATOM 7 HN2 ALA A 1 45.547 -6.684 28.509 1.00 0.00 H ATOM 8 HN1 ALA A 1 44.535 -5.320 28.550 1.00 0.00 H ATOM 9 N GLU A 2 44.885 -8.255 25.287 1.00 45.63 N ATOM 10 CA GLU A 2 45.704 -9.246 24.591 1.00 46.62 C ATOM 11 C GLU A 2 45.824 -8.997 23.085 1.00 43.35 C ATOM 12 O GLU A 2 46.556 -9.711 22.392 1.00 44.18 O ATOM 13 CB GLU A 2 45.179 -10.651 24.879 1.00 48.28 C ATOM 14 CG GLU A 2 45.148 -10.974 26.371 1.00 53.48 C ATOM 15 CD GLU A 2 44.829 -12.425 26.658 1.00 58.27 C ATOM 16 OE1 GLU A 2 45.069 -12.863 27.802 1.00 63.12 O ATOM 17 OE2 GLU A 2 44.344 -13.130 25.742 1.00 59.03 O ATOM 18 H GLU A 2 43.854 -8.390 25.325 1.00 0.00 H ATOM 19 N SER A 3 45.100 -7.993 22.589 1.00 39.38 N ATOM 20 CA SER A 3 45.257 -7.513 21.210 1.00 36.93 C ATOM 21 C SER A 3 44.579 -6.157 21.024 1.00 34.09 C ATOM 22 O SER A 3 43.860 -5.687 21.917 1.00 33.83 O ATOM 23 CB SER A 3 44.780 -8.552 20.170 1.00 35.87 C ATOM 24 OG SER A 3 43.368 -8.635 20.092 1.00 34.49 O ATOM 25 HG SER A 3 43.115 -9.311 19.415 1.00 0.00 H ATOM 26 H SER A 3 44.397 -7.532 23.202 1.00 0.00 H ATOM 27 N HIS A 4 44.829 -5.524 19.878 1.00 32.21 N ATOM 28 CA HIS A 4 44.251 -4.211 19.575 1.00 29.61 C ATOM 29 C HIS A 4 42.743 -4.271 19.391 1.00 26.69 C ATOM 30 O HIS A 4 42.210 -5.240 18.837 1.00 25.41 O ATOM 31 CB HIS A 4 44.871 -3.636 18.304 1.00 29.79 C ATOM 32 CG HIS A 4 44.738 -2.151 18.181 1.00 29.02 C ATOM 33 ND1 HIS A 4 43.539 -1.529 17.899 1.00 28.23 N ATOM 34 CD2 HIS A 4 45.662 -1.166 18.269 1.00 31.15 C ATOM 35 CE1 HIS A 4 43.728 -0.223 17.837 1.00 28.18 C ATOM 36 NE2 HIS A 4 45.006 0.022 18.059 1.00 29.82 N ATOM 37 H HIS A 4 45.452 -5.975 19.178 1.00 0.00 H ATOM 38 N TRP A 5 42.059 -3.227 19.847 1.00 24.34 N ATOM 39 CA TRP A 5 40.617 -3.135 19.659 1.00 22.54 C ATOM 40 C TRP A 5 40.262 -3.022 18.177 1.00 21.51 C ATOM 41 O TRP A 5 41.011 -2.455 17.384 1.00 21.25 O ATOM 42 CB TRP A 5 40.025 -1.956 20.453 1.00 22.11 C ATOM 43 CG TRP A 5 40.288 -0.566 19.887 1.00 21.50 C ATOM 44 CD1 TRP A 5 41.314 0.272 20.222 1.00 22.84 C ATOM 45 CD2 TRP A 5 39.471 0.158 18.950 1.00 20.99 C ATOM 46 NE1 TRP A 5 41.208 1.457 19.526 1.00 22.15 N ATOM 47 CE2 TRP A 5 40.088 1.412 18.738 1.00 22.17 C ATOM 48 CE3 TRP A 5 38.285 -0.138 18.259 1.00 20.71 C ATOM 49 CZ2 TRP A 5 39.559 2.375 17.863 1.00 22.71 C ATOM 50 CZ3 TRP A 5 37.756 0.819 17.384 1.00 19.97 C ATOM 51 CH2 TRP A 5 38.390 2.067 17.207 1.00 22.92 C ATOM 52 HE1 TRP A 5 41.871 2.256 19.589 1.00 0.00 H ATOM 53 H TRP A 5 42.560 -2.464 20.345 1.00 0.00 H ATOM 54 N CYS A 6 39.108 -3.565 17.822 1.00 20.76 N ATOM 55 CA CYS A 6 38.589 -3.458 16.470 1.00 20.99 C ATOM 56 C CYS A 6 37.057 -3.410 16.541 1.00 19.79 C ATOM 57 O CYS A 6 36.465 -3.576 17.619 1.00 20.27 O ATOM 58 CB CYS A 6 39.071 -4.647 15.620 1.00 21.16 C ATOM 59 SG CYS A 6 38.473 -6.250 16.213 1.00 25.67 S ATOM 60 H CYS A 6 38.556 -4.085 18.534 1.00 0.00 H ATOM 61 N TYR A 7 36.425 -3.158 15.403 1.00 19.21 N ATOM 62 CA TYR A 7 34.982 -3.328 15.281 1.00 19.10 C ATOM 63 C TYR A 7 34.700 -4.779 14.891 1.00 19.84 C ATOM 64 O TYR A 7 35.574 -5.449 14.318 1.00 19.34 O ATOM 65 CB TYR A 7 34.427 -2.366 14.230 1.00 19.21 C ATOM 66 CG TYR A 7 34.526 -0.895 14.616 1.00 18.21 C ATOM 67 CD1 TYR A 7 33.697 -0.363 15.604 1.00 17.71 C ATOM 68 CD2 TYR A 7 35.438 -0.053 13.995 1.00 16.63 C ATOM 69 CE1 TYR A 7 33.765 0.987 15.952 1.00 17.11 C ATOM 70 CE2 TYR A 7 35.530 1.300 14.346 1.00 18.71 C ATOM 71 CZ TYR A 7 34.681 1.808 15.318 1.00 18.53 C ATOM 72 OH TYR A 7 34.740 3.131 15.652 1.00 18.30 O ATOM 73 HH TYR A 7 34.071 3.323 16.356 1.00 0.00 H ATOM 74 H TYR A 7 36.970 -2.832 14.580 1.00 0.00 H ATOM 75 N GLU A 8 33.491 -5.252 15.198 1.00 19.86 N ATOM 76 CA GLU A 8 33.075 -6.624 14.886 1.00 21.71 C ATOM 77 C GLU A 8 33.451 -7.058 13.466 1.00 21.82 C ATOM 78 O GLU A 8 34.001 -8.144 13.269 1.00 22.72 O ATOM 79 CB GLU A 8 31.557 -6.781 15.092 1.00 22.46 C ATOM 80 CG GLU A 8 31.044 -8.227 15.132 1.00 27.27 C ATOM 81 CD GLU A 8 31.752 -9.090 16.179 1.00 31.85 C ATOM 82 OE1 GLU A 8 31.841 -8.681 17.361 1.00 33.38 O ATOM 83 OE2 GLU A 8 32.222 -10.185 15.812 1.00 35.64 O ATOM 84 H GLU A 8 32.816 -4.623 15.678 1.00 0.00 H ATOM 85 N VAL A 9 33.169 -6.201 12.486 1.00 21.15 N ATOM 86 CA VAL A 9 33.403 -6.537 11.082 1.00 21.07 C ATOM 87 C VAL A 9 34.847 -6.960 10.796 1.00 21.50 C ATOM 88 O VAL A 9 35.083 -7.882 10.008 1.00 21.95 O ATOM 89 CB VAL A 9 32.970 -5.389 10.131 1.00 21.57 C ATOM 90 CG1 VAL A 9 33.806 -4.087 10.362 1.00 18.18 C ATOM 91 CG2 VAL A 9 33.027 -5.859 8.675 1.00 22.50 C ATOM 92 H VAL A 9 32.773 -5.270 12.725 1.00 0.00 H ATOM 93 N GLN A 10 35.796 -6.286 11.449 1.00 20.38 N ATOM 94 CA GLN A 10 37.214 -6.557 11.267 1.00 21.26 C ATOM 95 C GLN A 10 37.575 -7.966 11.713 1.00 22.07 C ATOM 96 O GLN A 10 38.293 -8.672 11.009 1.00 23.36 O ATOM 97 CB GLN A 10 38.054 -5.540 12.023 1.00 20.83 C ATOM 98 CG GLN A 10 37.966 -4.131 11.457 1.00 21.05 C ATOM 99 CD GLN A 10 38.781 -3.170 12.277 1.00 21.79 C ATOM 100 OE1 GLN A 10 38.269 -2.534 13.202 1.00 20.35 O ATOM 101 NE2 GLN A 10 40.074 -3.102 11.985 1.00 24.11 N ATOM 102 HE22 GLN A 10 40.459 -3.658 11.195 1.00 0.00 H ATOM 103 HE21 GLN A 10 40.703 -2.493 12.547 1.00 0.00 H ATOM 104 H GLN A 10 35.511 -5.538 12.113 1.00 0.00 H ATOM 105 N ALA A 11 37.067 -8.375 12.874 1.00 22.30 N ATOM 106 CA ALA A 11 37.320 -9.720 13.394 1.00 23.44 C ATOM 107 C ALA A 11 36.668 -10.792 12.516 1.00 25.01 C ATOM 108 O ALA A 11 37.225 -11.876 12.339 1.00 26.06 O ATOM 109 CB ALA A 11 36.845 -9.833 14.813 1.00 23.80 C ATOM 110 H ALA A 11 36.475 -7.722 13.426 1.00 0.00 H ATOM 111 N GLU A 11A 35.500 -10.479 11.960 1.00 24.75 N ATOM 112 CA GLU A 11A 34.799 -11.406 11.070 1.00 26.67 C ATOM 113 C GLU A 11A 35.421 -11.520 9.672 1.00 27.38 C ATOM 114 O GLU A 11A 35.212 -12.522 8.979 1.00 28.72 O ATOM 115 CB GLU A 11A 33.321 -11.023 10.944 1.00 27.04 C ATOM 116 CG GLU A 11A 32.473 -11.445 12.134 1.00 29.66 C ATOM 117 CD GLU A 11A 31.074 -10.829 12.119 1.00 33.05 C ATOM 118 OE1 GLU A 11A 30.435 -10.782 13.194 1.00 31.76 O ATOM 119 OE2 GLU A 11A 30.616 -10.393 11.039 1.00 35.44 O ATOM 120 H GLU A 11A 35.074 -9.552 12.163 1.00 0.00 H ATOM 121 N SER A 11B 36.173 -10.500 9.255 1.00 26.19 N ATOM 122 CA SER A 11B 36.627 -10.413 7.862 1.00 27.20 C ATOM 123 C SER A 11B 38.100 -10.741 7.681 1.00 27.93 C ATOM 124 O SER A 11B 38.588 -10.816 6.558 1.00 28.11 O ATOM 125 CB SER A 11B 36.326 -9.032 7.285 1.00 26.66 C ATOM 126 OG SER A 11B 34.969 -8.682 7.517 1.00 25.96 O ATOM 127 HG SER A 11B 34.795 -8.669 8.491 1.00 0.00 H ATOM 128 H SER A 11B 36.442 -9.754 9.928 1.00 0.00 H ATOM 129 N SER A 11C 38.799 -10.942 8.794 1.00 27.43 N ATOM 130 CA SER A 11C 40.228 -11.223 8.764 1.00 28.79 C ATOM 131 C SER A 11C 40.559 -12.323 9.771 1.00 29.78 C ATOM 132 O SER A 11C 39.832 -12.518 10.752 1.00 29.21 O ATOM 133 CB SER A 11C 41.002 -9.940 9.094 1.00 27.83 C ATOM 134 OG SER A 11C 42.395 -10.189 9.220 1.00 28.79 O ATOM 135 HG SER A 11C 42.742 -10.554 8.368 1.00 0.00 H ATOM 136 H SER A 11C 38.312 -10.897 9.712 1.00 0.00 H ATOM 137 N ASN A 11D 41.647 -13.042 9.527 1.00 31.63 N ATOM 138 CA ASN A 11D 42.102 -14.069 10.463 1.00 33.40 C ATOM 139 C ASN A 11D 43.046 -13.528 11.536 1.00 33.47 C ATOM 140 O ASN A 11D 43.422 -14.248 12.463 1.00 35.25 O ATOM 141 CB ASN A 11D 42.755 -15.240 9.723 1.00 36.15 C ATOM 142 CG ASN A 11D 41.816 -15.913 8.737 1.00 37.11 C ATOM 143 OD1 ASN A 11D 40.641 -16.125 9.028 1.00 38.15 O ATOM 144 ND2 ASN A 11D 42.335 -16.249 7.560 1.00 38.10 N ATOM 145 HD22 ASN A 11D 43.335 -16.050 7.357 1.00 0.00 H ATOM 146 HD21 ASN A 11D 41.741 -16.711 6.842 1.00 0.00 H ATOM 147 H ASN A 11D 42.186 -12.872 8.654 1.00 0.00 H ATOM 148 N TYR A 11E 43.432 -12.263 11.404 1.00 32.32 N ATOM 149 CA TYR A 11E 44.287 -11.600 12.386 1.00 32.47 C ATOM 150 C TYR A 11E 43.464 -11.240 13.628 1.00 31.95 C ATOM 151 O TYR A 11E 42.515 -10.477 13.526 1.00 30.18 O ATOM 152 CB TYR A 11E 44.873 -10.333 11.759 1.00 31.56 C ATOM 153 CG TYR A 11E 46.042 -9.714 12.492 1.00 30.34 C ATOM 154 CD1 TYR A 11E 45.838 -8.897 13.611 1.00 28.22 C ATOM 155 CD2 TYR A 11E 47.348 -9.916 12.053 1.00 29.27 C ATOM 156 CE1 TYR A 11E 46.907 -8.309 14.278 1.00 28.54 C ATOM 157 CE2 TYR A 11E 48.430 -9.326 12.718 1.00 31.16 C ATOM 158 CZ TYR A 11E 48.194 -8.528 13.828 1.00 30.06 C ATOM 159 OH TYR A 11E 49.242 -7.942 14.490 1.00 32.69 O ATOM 160 HH TYR A 11E 48.895 -7.412 15.251 1.00 0.00 H ATOM 161 H TYR A 11E 43.114 -11.726 10.572 1.00 0.00 H ATOM 162 N PRO A 11F 43.834 -11.769 14.810 1.00 34.04 N ATOM 163 CA PRO A 11F 43.040 -11.522 16.016 1.00 33.70 C ATOM 164 C PRO A 11F 43.037 -10.076 16.517 1.00 32.37 C ATOM 165 O PRO A 11F 44.062 -9.388 16.514 1.00 33.21 O ATOM 166 CB PRO A 11F 43.687 -12.435 17.059 1.00 36.22 C ATOM 167 CG PRO A 11F 45.085 -12.581 16.598 1.00 38.86 C ATOM 168 CD PRO A 11F 44.987 -12.641 15.092 1.00 37.06 C ATOM 169 N CYS A 11G 41.867 -9.641 16.960 1.00 31.00 N ATOM 170 CA CYS A 11G 41.676 -8.311 17.493 1.00 30.11 C ATOM 171 C CYS A 11G 40.556 -8.362 18.525 1.00 28.65 C ATOM 172 O CYS A 11G 39.812 -9.342 18.570 1.00 29.59 O ATOM 173 CB CYS A 11G 41.354 -7.332 16.360 1.00 28.76 C ATOM 174 SG CYS A 11G 39.826 -7.667 15.473 1.00 32.37 S ATOM 175 H CYS A 11G 41.051 -10.284 16.923 1.00 0.00 H ATOM 176 N LEU A 11H 40.450 -7.332 19.361 1.00 26.72 N ATOM 177 CA LEU A 11H 39.441 -7.296 20.421 1.00 25.65 C ATOM 178 C LEU A 11H 38.168 -6.605 19.951 1.00 23.02 C ATOM 179 O LEU A 11H 38.179 -5.397 19.717 1.00 21.11 O ATOM 180 CB LEU A 11H 39.961 -6.520 21.625 1.00 26.58 C ATOM 181 CG LEU A 11H 40.564 -7.135 22.873 1.00 30.02 C ATOM 182 CD1 LEU A 11H 40.409 -6.084 23.943 1.00 29.70 C ATOM 183 CD2 LEU A 11H 39.866 -8.432 23.280 1.00 31.50 C ATOM 184 H LEU A 11H 41.103 -6.529 19.258 1.00 0.00 H ATOM 185 N VAL A 12 37.084 -7.372 19.829 1.00 22.46 N ATOM 186 CA VAL A 12 35.755 -6.847 19.454 1.00 21.09 C ATOM 187 C VAL A 12 35.082 -6.039 20.587 1.00 20.64 C ATOM 188 O VAL A 12 35.481 -6.153 21.763 1.00 21.26 O ATOM 189 CB VAL A 12 34.803 -7.986 18.973 1.00 21.78 C ATOM 190 CG1 VAL A 12 35.334 -8.619 17.665 1.00 22.13 C ATOM 191 CG2 VAL A 12 34.644 -9.038 20.047 1.00 22.05 C ATOM 192 H VAL A 12 37.179 -8.392 20.007 1.00 0.00 H ATOM 193 N PRO A 13 34.055 -5.231 20.240 1.00 19.70 N ATOM 194 CA PRO A 13 33.428 -4.272 21.174 1.00 19.42 C ATOM 195 C PRO A 13 32.968 -4.810 22.517 1.00 21.40 C ATOM 196 O PRO A 13 33.191 -4.164 23.558 1.00 21.67 O ATOM 197 CB PRO A 13 32.278 -3.719 20.340 1.00 19.50 C ATOM 198 CG PRO A 13 32.908 -3.699 18.931 1.00 17.37 C ATOM 199 CD PRO A 13 33.534 -5.039 18.868 1.00 18.48 C ATOM 200 N VAL A 14 32.382 -6.008 22.516 1.00 22.70 N ATOM 201 CA VAL A 14 31.899 -6.606 23.756 1.00 25.41 C ATOM 202 C VAL A 14 33.080 -6.958 24.684 1.00 26.58 C ATOM 203 O VAL A 14 32.909 -7.139 25.900 1.00 28.59 O ATOM 204 CB VAL A 14 30.971 -7.818 23.472 1.00 26.63 C ATOM 205 CG1 VAL A 14 31.774 -9.113 23.334 1.00 28.67 C ATOM 206 CG2 VAL A 14 29.928 -7.950 24.558 1.00 29.26 C ATOM 207 H VAL A 14 32.268 -6.523 21.620 1.00 0.00 H ATOM 208 N LYS A 15 34.277 -6.993 24.102 1.00 25.98 N ATOM 209 CA LYS A 15 35.508 -7.324 24.831 1.00 27.68 C ATOM 210 C LYS A 15 36.442 -6.124 25.051 1.00 26.71 C ATOM 211 O LYS A 15 37.460 -6.254 25.745 1.00 28.57 O ATOM 212 CB LYS A 15 36.249 -8.489 24.146 1.00 28.57 C ATOM 213 CG LYS A 15 35.594 -9.865 24.371 1.00 32.04 C ATOM 214 CD LYS A 15 36.450 -10.991 23.793 1.00 36.44 C ATOM 215 CE LYS A 15 35.630 -12.248 23.502 1.00 39.21 C ATOM 216 NZ LYS A 15 36.493 -13.472 23.479 1.00 44.32 N ATOM 217 HZ1 LYS A 15 37.216 -13.371 22.739 1.00 0.00 H ATOM 218 HZ2 LYS A 15 36.955 -13.586 24.404 1.00 0.00 H ATOM 219 HZ3 LYS A 15 35.905 -14.306 23.279 1.00 0.00 H ATOM 220 H LYS A 15 34.343 -6.776 23.087 1.00 0.00 H ATOM 221 N TRP A 16 36.078 -4.878 24.669 1.00 28.14 N ATOM 222 CA TRP A 16 36.879 -3.662 24.830 1.00 28.71 C ATOM 223 C TRP A 16 37.281 -3.403 26.287 1.00 27.74 C ATOM 224 O TRP A 16 36.483 -3.593 27.200 1.00 28.23 O ATOM 225 CB TRP A 16 36.117 -2.447 24.289 1.00 23.25 C ATOM 226 CG TRP A 16 36.079 -2.364 22.788 1.00 26.90 C ATOM 227 CD1 TRP A 16 36.694 -3.202 21.905 1.00 24.36 C ATOM 228 CD2 TRP A 16 35.391 -1.383 21.997 1.00 22.04 C ATOM 229 NE1 TRP A 16 36.431 -2.808 20.615 1.00 22.96 N ATOM 230 CE2 TRP A 16 35.638 -1.691 20.644 1.00 20.84 C ATOM 231 CE3 TRP A 16 34.590 -0.274 22.302 1.00 22.24 C ATOM 232 CZ2 TRP A 16 35.111 -0.934 19.595 1.00 19.40 C ATOM 233 CZ3 TRP A 16 34.072 0.478 21.259 1.00 17.64 C ATOM 234 CH2 TRP A 16 34.333 0.143 19.923 1.00 19.82 C ATOM 235 HE1 TRP A 16 36.778 -3.281 19.756 1.00 0.00 H ATOM 236 H TRP A 16 35.145 -4.774 24.221 1.00 0.00 H ATOM 237 N GLY A 20 38.519 -2.963 26.494 1.00 31.82 N ATOM 238 CA GLY A 20 39.003 -2.630 27.825 1.00 35.27 C ATOM 239 C GLY A 20 38.691 -1.198 28.226 1.00 36.26 C ATOM 240 O GLY A 20 37.611 -0.692 27.933 1.00 34.63 O ATOM 241 H GLY A 20 39.159 -2.854 25.682 1.00 0.00 H ATOM 242 N GLY A 21 39.638 -0.542 28.894 1.00 37.40 N ATOM 243 CA GLY A 21 39.456 0.835 29.328 1.00 37.08 C ATOM 244 C GLY A 21 38.221 1.032 30.191 1.00 39.25 C ATOM 245 O GLY A 21 37.949 0.225 31.082 1.00 39.53 O ATOM 246 H GLY A 21 40.532 -1.027 29.111 1.00 0.00 H ATOM 247 N ASN A 22 37.402 2.158 29.921 1.00 30.76 N ATOM 248 CA ASN A 22 36.164 2.409 30.643 1.00 30.30 C ATOM 249 C ASN A 22 34.946 1.870 29.883 1.00 28.09 C ATOM 250 O ASN A 22 33.809 2.165 30.249 1.00 26.74 O ATOM 251 CB ASN A 22 36.005 3.916 30.918 1.00 30.20 C ATOM 252 CG ASN A 22 37.230 4.536 31.599 1.00 32.23 C ATOM 253 OD1 ASN A 22 37.528 4.247 32.761 1.00 34.39 O ATOM 254 ND2 ASN A 22 37.946 5.396 30.868 1.00 30.89 N ATOM 255 HD22 ASN A 22 37.660 5.612 29.892 1.00 0.00 H ATOM 256 HD21 ASN A 22 38.789 5.849 31.276 1.00 0.00 H ATOM 257 H ASN A 22 37.696 2.827 29.181 1.00 0.00 H ATOM 258 N CYS A 23 35.197 1.062 28.847 1.00 27.13 N ATOM 259 CA CYS A 23 34.152 0.612 27.904 1.00 25.98 C ATOM 260 C CYS A 23 33.095 -0.299 28.508 1.00 27.10 C ATOM 261 O CYS A 23 32.028 -0.498 27.914 1.00 25.66 O ATOM 262 CB CYS A 23 34.777 -0.054 26.675 1.00 25.72 C ATOM 263 SG CYS A 23 35.954 1.025 25.807 1.00 24.94 S ATOM 264 H CYS A 23 36.173 0.735 28.698 1.00 0.00 H ATOM 265 N GLN A 24 33.402 -0.828 29.689 1.00 29.72 N ATOM 266 CA GLN A 24 32.526 -1.744 30.416 1.00 32.40 C ATOM 267 C GLN A 24 31.806 -1.068 31.593 1.00 33.72 C ATOM 268 O GLN A 24 31.199 -1.742 32.428 1.00 36.28 O ATOM 269 CB GLN A 24 33.324 -2.974 30.901 1.00 34.86 C ATOM 270 CG GLN A 24 33.942 -3.817 29.773 1.00 36.02 C ATOM 271 CD GLN A 24 32.906 -4.285 28.760 1.00 36.88 C ATOM 272 OE1 GLN A 24 31.874 -4.842 29.137 1.00 39.52 O ATOM 273 NE2 GLN A 24 33.180 -4.068 27.469 1.00 35.23 N ATOM 274 HE22 GLN A 24 34.065 -3.593 27.198 1.00 0.00 H ATOM 275 HE21 GLN A 24 32.508 -4.374 26.736 1.00 0.00 H ATOM 276 H GLN A 24 34.315 -0.576 30.118 1.00 0.00 H ATOM 277 N LYS A 25 31.875 0.257 31.667 1.00 32.92 N ATOM 278 CA LYS A 25 31.196 1.001 32.724 1.00 34.32 C ATOM 279 C LYS A 25 29.766 1.338 32.297 1.00 32.76 C ATOM 280 O LYS A 25 29.351 0.939 31.214 1.00 31.53 O ATOM 281 CB LYS A 25 32.004 2.242 33.118 1.00 34.78 C ATOM 282 CG LYS A 25 33.254 1.886 33.893 1.00 38.17 C ATOM 283 CD LYS A 25 34.077 3.113 34.216 1.00 41.50 C ATOM 284 CE LYS A 25 35.379 2.713 34.877 1.00 44.78 C ATOM 285 NZ LYS A 25 36.281 3.878 35.011 1.00 46.47 N ATOM 286 HZ1 LYS A 25 36.488 4.265 34.068 1.00 0.00 H ATOM 287 HZ2 LYS A 25 35.820 4.607 35.592 1.00 0.00 H ATOM 288 HZ3 LYS A 25 37.167 3.579 35.467 1.00 0.00 H ATOM 289 H LYS A 25 32.426 0.777 30.955 1.00 0.00 H ATOM 290 N ASP A 26 29.014 2.058 33.134 1.00 33.26 N ATOM 291 CA ASP A 26 27.549 2.127 32.963 1.00 32.82 C ATOM 292 C ASP A 26 26.923 3.423 32.417 1.00 30.11 C ATOM 293 O ASP A 26 25.690 3.591 32.462 1.00 30.49 O ATOM 294 CB ASP A 26 26.825 1.679 34.249 1.00 36.00 C ATOM 295 CG ASP A 26 27.130 2.562 35.444 1.00 40.02 C ATOM 296 OD1 ASP A 26 27.772 3.620 35.279 1.00 43.39 O ATOM 297 OD2 ASP A 26 26.714 2.199 36.564 1.00 44.83 O ATOM 298 H ASP A 26 29.465 2.576 33.915 1.00 0.00 H ATOM 299 N ARG A 27 27.751 4.343 31.935 1.00 27.56 N ATOM 300 CA ARG A 27 27.236 5.541 31.283 1.00 25.70 C ATOM 301 C ARG A 27 27.865 5.637 29.892 1.00 23.23 C ATOM 302 O ARG A 27 28.536 6.614 29.558 1.00 23.06 O ATOM 303 CB ARG A 27 27.483 6.792 32.146 1.00 26.57 C ATOM 304 CG ARG A 27 26.629 6.844 33.424 1.00 28.79 C ATOM 305 CD ARG A 27 26.961 8.049 34.298 1.00 30.39 C ATOM 306 NE ARG A 27 27.279 9.216 33.483 1.00 29.56 N ATOM 307 CZ ARG A 27 28.377 9.948 33.621 1.00 30.40 C ATOM 308 NH1 ARG A 27 29.248 9.650 34.580 1.00 33.36 N ATOM 309 NH2 ARG A 27 28.593 10.987 32.818 1.00 27.29 N ATOM 310 HE ARG A 27 26.600 9.493 32.745 1.00 0.00 H ATOM 311 HH12 ARG A 27 30.111 10.219 34.694 1.00 0.00 H ATOM 312 HH11 ARG A 27 29.067 8.848 35.216 1.00 0.00 H ATOM 313 HH22 ARG A 27 29.454 11.559 32.928 1.00 0.00 H ATOM 314 HH21 ARG A 27 27.900 11.227 32.080 1.00 0.00 H ATOM 315 H ARG A 27 28.778 4.207 32.024 1.00 0.00 H ATOM 316 N GLN A 28 27.644 4.591 29.096 1.00 21.93 N ATOM 317 CA GLN A 28 28.255 4.449 27.783 1.00 20.63 C ATOM 318 C GLN A 28 27.359 4.991 26.659 1.00 19.10 C ATOM 319 O GLN A 28 26.158 5.214 26.854 1.00 19.53 O ATOM 320 CB GLN A 28 28.617 2.972 27.542 1.00 20.64 C ATOM 321 CG GLN A 28 29.716 2.452 28.475 1.00 22.38 C ATOM 322 CD GLN A 28 31.061 3.112 28.202 1.00 20.58 C ATOM 323 OE1 GLN A 28 31.668 2.878 27.158 1.00 20.04 O ATOM 324 NE2 GLN A 28 31.517 3.955 29.125 1.00 20.81 N ATOM 325 HE22 GLN A 28 30.969 4.122 29.993 1.00 0.00 H ATOM 326 HE21 GLN A 28 32.421 4.447 28.978 1.00 0.00 H ATOM 327 H GLN A 28 27.005 3.841 29.429 1.00 0.00 H ATOM 328 N SER A 29 27.980 5.223 25.508 1.00 17.88 N ATOM 329 CA SER A 29 27.336 5.644 24.276 1.00 16.73 C ATOM 330 C SER A 29 27.797 4.694 23.175 1.00 16.66 C ATOM 331 O SER A 29 28.869 4.084 23.313 1.00 17.13 O ATOM 332 CB SER A 29 27.768 7.077 23.932 1.00 16.47 C ATOM 333 OG SER A 29 27.324 7.973 24.947 1.00 17.65 O ATOM 334 HG SER A 29 26.337 7.935 25.010 1.00 0.00 H ATOM 335 H SER A 29 29.012 5.093 25.487 1.00 0.00 H ATOM 336 N PRO A 30 27.029 4.560 22.067 1.00 16.29 N ATOM 337 CA PRO A 30 25.761 5.189 21.698 1.00 16.04 C ATOM 338 C PRO A 30 24.580 4.509 22.365 1.00 16.73 C ATOM 339 O PRO A 30 24.754 3.477 23.039 1.00 17.27 O ATOM 340 CB PRO A 30 25.684 4.955 20.188 1.00 15.88 C ATOM 341 CG PRO A 30 26.371 3.601 20.007 1.00 16.95 C ATOM 342 CD PRO A 30 27.491 3.602 21.031 1.00 15.93 C ATOM 343 N ILE A 31 23.400 5.095 22.173 1.00 16.00 N ATOM 344 CA ILE A 31 22.147 4.576 22.720 1.00 17.21 C ATOM 345 C ILE A 31 21.018 4.684 21.688 1.00 17.07 C ATOM 346 O ILE A 31 21.148 5.423 20.687 1.00 16.33 O ATOM 347 CB ILE A 31 21.726 5.330 24.029 1.00 17.94 C ATOM 348 CG1 ILE A 31 21.407 6.805 23.740 1.00 17.90 C ATOM 349 CG2 ILE A 31 22.816 5.225 25.083 1.00 17.74 C ATOM 350 CD1 ILE A 31 20.679 7.519 24.866 1.00 18.85 C ATOM 351 H ILE A 31 23.368 5.966 21.605 1.00 0.00 H ATOM 352 N ASN A 32 19.947 3.917 21.916 1.00 17.51 N ATOM 353 CA ASN A 32 18.666 4.186 21.281 1.00 17.70 C ATOM 354 C ASN A 32 17.974 5.317 22.015 1.00 18.13 C ATOM 355 O ASN A 32 17.935 5.331 23.258 1.00 18.60 O ATOM 356 CB ASN A 32 17.722 2.982 21.293 1.00 18.81 C ATOM 357 CG ASN A 32 16.399 3.289 20.606 1.00 19.61 C ATOM 358 OD1 ASN A 32 16.389 3.693 19.439 1.00 18.40 O ATOM 359 ND2 ASN A 32 15.278 3.119 21.326 1.00 19.38 N ATOM 360 HD22 ASN A 32 15.336 2.776 22.306 1.00 0.00 H ATOM 361 HD21 ASN A 32 14.352 3.330 20.903 1.00 0.00 H ATOM 362 H ASN A 32 20.032 3.108 22.564 1.00 0.00 H ATOM 363 N ILE A 33 17.428 6.257 21.246 1.00 17.90 N ATOM 364 CA ILE A 33 16.627 7.336 21.808 1.00 18.91 C ATOM 365 C ILE A 33 15.149 7.162 21.471 1.00 20.32 C ATOM 366 O ILE A 33 14.760 7.178 20.286 1.00 20.08 O ATOM 367 CB ILE A 33 17.113 8.724 21.334 1.00 18.73 C ATOM 368 CG1 ILE A 33 18.543 8.980 21.840 1.00 19.14 C ATOM 369 CG2 ILE A 33 16.142 9.818 21.807 1.00 20.20 C ATOM 370 CD1 ILE A 33 19.220 10.188 21.234 1.00 19.80 C ATOM 371 H ILE A 33 17.577 6.220 20.217 1.00 0.00 H ATOM 372 N VAL A 34 14.334 6.986 22.513 1.00 21.32 N ATOM 373 CA VAL A 34 12.878 6.991 22.358 1.00 23.12 C ATOM 374 C VAL A 34 12.409 8.451 22.354 1.00 23.86 C ATOM 375 O VAL A 34 12.294 9.098 23.415 1.00 23.62 O ATOM 376 CB VAL A 34 12.155 6.162 23.444 1.00 24.70 C ATOM 377 CG1 VAL A 34 10.649 6.201 23.220 1.00 25.78 C ATOM 378 CG2 VAL A 34 12.659 4.706 23.435 1.00 24.56 C ATOM 379 H VAL A 34 14.743 6.842 23.458 1.00 0.00 H ATOM 380 N THR A 35 12.165 8.969 21.148 1.00 24.00 N ATOM 381 CA THR A 35 11.931 10.398 20.958 1.00 24.62 C ATOM 382 C THR A 35 10.764 10.947 21.791 1.00 26.67 C ATOM 383 O THR A 35 10.885 12.022 22.369 1.00 26.71 O ATOM 384 CB THR A 35 11.778 10.765 19.465 1.00 24.82 C ATOM 385 OG1 THR A 35 10.611 10.140 18.939 1.00 26.21 O ATOM 386 CG2 THR A 35 12.999 10.308 18.661 1.00 23.73 C ATOM 387 HG1 THR A 35 10.694 9.158 19.031 1.00 0.00 H ATOM 388 H THR A 35 12.141 8.338 20.322 1.00 0.00 H ATOM 389 N THR A 36 9.655 10.206 21.881 1.00 28.72 N ATOM 390 CA THR A 36 8.500 10.671 22.662 1.00 31.19 C ATOM 391 C THR A 36 8.698 10.576 24.177 1.00 31.38 C ATOM 392 O THR A 36 7.893 11.104 24.934 1.00 32.93 O ATOM 393 CB THR A 36 7.179 9.939 22.314 1.00 33.64 C ATOM 394 OG1 THR A 36 7.349 8.520 22.480 1.00 34.05 O ATOM 395 CG2 THR A 36 6.723 10.265 20.891 1.00 34.52 C ATOM 396 HG1 THR A 36 8.068 8.202 21.878 1.00 0.00 H ATOM 397 H THR A 36 9.609 9.289 21.392 1.00 0.00 H ATOM 398 N LYS A 37 9.757 9.905 24.625 1.00 30.11 N ATOM 399 CA LYS A 37 9.996 9.797 26.066 1.00 30.53 C ATOM 400 C LYS A 37 11.017 10.798 26.563 1.00 29.49 C ATOM 401 O LYS A 37 11.152 11.015 27.768 1.00 30.12 O ATOM 402 CB LYS A 37 10.395 8.379 26.456 1.00 30.95 C ATOM 403 CG LYS A 37 9.238 7.407 26.380 1.00 32.76 C ATOM 404 CD LYS A 37 9.614 6.059 26.977 1.00 33.63 C ATOM 405 CE LYS A 37 8.410 5.142 26.896 1.00 35.28 C ATOM 406 NZ LYS A 37 8.327 4.294 28.112 1.00 39.84 N ATOM 407 HZ1 LYS A 37 9.189 3.718 28.191 1.00 0.00 H ATOM 408 HZ2 LYS A 37 8.237 4.901 28.951 1.00 0.00 H ATOM 409 HZ3 LYS A 37 7.497 3.671 28.043 1.00 0.00 H ATOM 410 H LYS A 37 10.413 9.458 23.953 1.00 0.00 H ATOM 411 N ALA A 38 11.723 11.422 25.631 1.00 27.73 N ATOM 412 CA ALA A 38 12.642 12.501 25.979 1.00 27.53 C ATOM 413 C ALA A 38 11.857 13.759 26.370 1.00 29.06 C ATOM 414 O ALA A 38 11.045 14.269 25.592 1.00 29.63 O ATOM 415 CB ALA A 38 13.625 12.779 24.814 1.00 25.21 C ATOM 416 H ALA A 38 11.620 11.138 24.636 1.00 0.00 H ATOM 417 N LYS A 39 12.084 14.238 27.589 1.00 30.60 N ATOM 418 CA LYS A 39 11.388 15.421 28.096 1.00 33.00 C ATOM 419 C LYS A 39 11.962 16.727 27.540 1.00 32.11 C ATOM 420 O LYS A 39 13.183 16.904 27.456 1.00 30.90 O ATOM 421 CB LYS A 39 11.366 15.448 29.632 1.00 35.28 C ATOM 422 CG LYS A 39 10.151 14.765 30.297 1.00 39.86 C ATOM 423 CD LYS A 39 8.834 15.526 30.043 1.00 44.75 C ATOM 424 CE LYS A 39 8.166 15.982 31.346 1.00 48.39 C ATOM 425 NZ LYS A 39 7.125 15.043 31.873 1.00 50.60 N ATOM 426 HZ1 LYS A 39 6.369 14.934 31.167 1.00 0.00 H ATOM 427 HZ2 LYS A 39 7.559 14.117 32.063 1.00 0.00 H ATOM 428 HZ3 LYS A 39 6.726 15.428 32.753 1.00 0.00 H ATOM 429 H LYS A 39 12.776 13.758 28.200 1.00 0.00 H ATOM 430 N VAL A 40 11.067 17.618 27.129 1.00 33.10 N ATOM 431 CA VAL A 40 11.446 18.942 26.657 1.00 33.84 C ATOM 432 C VAL A 40 12.064 19.736 27.806 1.00 35.18 C ATOM 433 O VAL A 40 11.503 19.796 28.900 1.00 37.10 O ATOM 434 CB VAL A 40 10.228 19.697 26.050 1.00 35.57 C ATOM 435 CG1 VAL A 40 10.465 21.211 26.012 1.00 36.80 C ATOM 436 CG2 VAL A 40 9.917 19.168 24.648 1.00 34.54 C ATOM 437 H VAL A 40 10.059 17.361 27.145 1.00 0.00 H ATOM 438 N ASP A 41 13.223 20.332 27.555 1.00 34.98 N ATOM 439 CA ASP A 41 13.871 21.215 28.520 1.00 36.58 C ATOM 440 C ASP A 41 14.049 22.597 27.889 1.00 38.26 C ATOM 441 O ASP A 41 14.814 22.749 26.932 1.00 36.90 O ATOM 442 CB ASP A 41 15.212 20.612 28.930 1.00 35.00 C ATOM 443 CG ASP A 41 15.951 21.437 29.972 1.00 37.22 C ATOM 444 OD1 ASP A 41 15.648 22.638 30.159 1.00 38.59 O ATOM 445 OD2 ASP A 41 16.870 20.869 30.608 1.00 38.23 O ATOM 446 H ASP A 41 13.686 20.164 26.639 1.00 0.00 H ATOM 447 N LYS A 42 13.341 23.588 28.441 1.00 37.27 N ATOM 448 CA LYS A 42 13.258 24.947 27.888 1.00 37.58 C ATOM 449 C LYS A 42 14.609 25.644 27.781 1.00 36.76 C ATOM 450 O LYS A 42 14.819 26.488 26.907 1.00 36.44 O ATOM 451 CB LYS A 42 12.299 25.815 28.720 1.00 39.41 C ATOM 452 CG LYS A 42 10.821 25.480 28.524 1.00 41.91 C ATOM 453 CD LYS A 42 9.902 26.420 29.317 1.00 46.45 C ATOM 454 CE LYS A 42 8.475 25.853 29.431 1.00 49.32 C ATOM 455 NZ LYS A 42 8.003 25.251 28.136 1.00 49.35 N ATOM 456 HZ1 LYS A 42 8.005 25.981 27.395 1.00 0.00 H ATOM 457 HZ2 LYS A 42 8.640 24.476 27.863 1.00 0.00 H ATOM 458 HZ3 LYS A 42 7.038 24.882 28.258 1.00 0.00 H ATOM 459 H LYS A 42 12.817 23.384 29.316 1.00 0.00 H ATOM 460 N LYS A 43 15.522 25.274 28.671 1.00 36.94 N ATOM 461 CA LYS A 43 16.871 25.833 28.705 1.00 35.91 C ATOM 462 C LYS A 43 17.781 25.379 27.540 1.00 33.81 C ATOM 463 O LYS A 43 18.899 25.895 27.376 1.00 33.36 O ATOM 464 CB LYS A 43 17.509 25.532 30.068 1.00 37.57 C ATOM 465 CG LYS A 43 16.595 25.928 31.231 1.00 39.88 C ATOM 466 CD LYS A 43 17.332 26.046 32.549 1.00 43.72 C ATOM 467 CE LYS A 43 16.401 26.606 33.615 1.00 45.62 C ATOM 468 NZ LYS A 43 17.117 27.556 34.511 1.00 48.17 N ATOM 469 HZ1 LYS A 43 17.902 27.062 34.982 1.00 0.00 H ATOM 470 HZ2 LYS A 43 17.491 28.346 33.948 1.00 0.00 H ATOM 471 HZ3 LYS A 43 16.456 27.921 35.227 1.00 0.00 H ATOM 472 H LYS A 43 15.265 24.554 29.376 1.00 0.00 H ATOM 473 N LEU A 44 17.317 24.419 26.738 1.00 31.62 N ATOM 474 CA LEU A 44 18.075 24.014 25.548 1.00 29.15 C ATOM 475 C LEU A 44 17.681 24.882 24.369 1.00 28.24 C ATOM 476 O LEU A 44 16.681 24.608 23.687 1.00 27.64 O ATOM 477 CB LEU A 44 17.887 22.528 25.208 1.00 28.47 C ATOM 478 CG LEU A 44 18.207 21.421 26.204 1.00 27.58 C ATOM 479 CD1 LEU A 44 17.992 20.065 25.526 1.00 24.55 C ATOM 480 CD2 LEU A 44 19.611 21.524 26.755 1.00 27.42 C ATOM 481 H LEU A 44 16.413 23.955 26.957 1.00 0.00 H ATOM 482 N GLY A 45 18.448 25.953 24.164 1.00 27.44 N ATOM 483 CA GLY A 45 18.185 26.908 23.098 1.00 26.61 C ATOM 484 C GLY A 45 19.016 26.615 21.858 1.00 25.69 C ATOM 485 O GLY A 45 19.677 25.568 21.766 1.00 24.56 O ATOM 486 H GLY A 45 19.264 26.112 24.789 1.00 0.00 H ATOM 487 N ARG A 46 19.004 27.550 20.911 1.00 25.24 N ATOM 488 CA ARG A 46 19.728 27.359 19.647 1.00 24.36 C ATOM 489 C ARG A 46 21.237 27.318 19.861 1.00 23.59 C ATOM 490 O ARG A 46 21.754 27.863 20.844 1.00 23.07 O ATOM 491 CB ARG A 46 19.371 28.451 18.622 1.00 24.98 C ATOM 492 CG ARG A 46 19.711 29.884 19.057 1.00 27.38 C ATOM 493 CD ARG A 46 19.680 30.844 17.872 1.00 28.62 C ATOM 494 NE ARG A 46 20.824 30.625 16.981 1.00 28.94 N ATOM 495 CZ ARG A 46 21.243 31.487 16.055 1.00 29.47 C ATOM 496 NH1 ARG A 46 20.620 32.648 15.892 1.00 31.25 N ATOM 497 NH2 ARG A 46 22.299 31.189 15.297 1.00 28.24 N ATOM 498 HE ARG A 46 21.347 29.731 17.079 1.00 0.00 H ATOM 499 HH12 ARG A 46 20.950 33.318 15.168 1.00 0.00 H ATOM 500 HH11 ARG A 46 19.802 32.887 16.488 1.00 0.00 H ATOM 501 HH22 ARG A 46 22.627 31.861 14.574 1.00 0.00 H ATOM 502 HH21 ARG A 46 22.795 30.284 15.429 1.00 0.00 H ATOM 503 H ARG A 46 18.473 28.430 21.068 1.00 0.00 H ATOM 504 N PHE A 47 21.922 26.651 18.938 1.00 22.54 N ATOM 505 CA PHE A 47 23.371 26.637 18.910 1.00 22.74 C ATOM 506 C PHE A 47 23.854 27.861 18.169 1.00 23.95 C ATOM 507 O PHE A 47 23.157 28.381 17.285 1.00 23.89 O ATOM 508 CB PHE A 47 23.901 25.383 18.192 1.00 21.79 C ATOM 509 CG PHE A 47 23.978 24.157 19.070 1.00 18.89 C ATOM 510 CD1 PHE A 47 22.905 23.285 19.161 1.00 19.49 C ATOM 511 CD2 PHE A 47 25.133 23.868 19.779 1.00 20.40 C ATOM 512 CE1 PHE A 47 22.980 22.140 19.956 1.00 17.12 C ATOM 513 CE2 PHE A 47 25.223 22.727 20.590 1.00 19.32 C ATOM 514 CZ PHE A 47 24.140 21.863 20.677 1.00 18.94 C ATOM 515 H PHE A 47 21.400 26.121 18.211 1.00 0.00 H ATOM 516 N PHE A 48 25.040 28.321 18.541 1.00 24.54 N ATOM 517 CA PHE A 48 25.722 29.346 17.780 1.00 26.04 C ATOM 518 C PHE A 48 26.992 28.740 17.246 1.00 26.28 C ATOM 519 O PHE A 48 27.812 28.224 18.002 1.00 26.58 O ATOM 520 CB PHE A 48 25.986 30.579 18.635 1.00 27.11 C ATOM 521 CG PHE A 48 24.738 31.294 19.015 1.00 28.13 C ATOM 522 CD1 PHE A 48 23.998 30.885 20.123 1.00 26.93 C ATOM 523 CD2 PHE A 48 24.260 32.342 18.229 1.00 28.99 C ATOM 524 CE1 PHE A 48 22.821 31.518 20.458 1.00 27.53 C ATOM 525 CE2 PHE A 48 23.089 32.992 18.568 1.00 29.77 C ATOM 526 CZ PHE A 48 22.361 32.575 19.682 1.00 29.00 C ATOM 527 H PHE A 48 25.490 27.938 19.397 1.00 0.00 H ATOM 528 N PHE A 49 27.117 28.771 15.928 1.00 26.39 N ATOM 529 CA PHE A 49 28.280 28.230 15.246 1.00 26.83 C ATOM 530 C PHE A 49 29.239 29.367 14.878 1.00 28.03 C ATOM 531 O PHE A 49 28.805 30.428 14.398 1.00 29.08 O ATOM 532 CB PHE A 49 27.828 27.448 14.000 1.00 26.16 C ATOM 533 CG PHE A 49 26.894 26.293 14.302 1.00 26.47 C ATOM 534 CD1 PHE A 49 27.396 25.037 14.635 1.00 24.87 C ATOM 535 CD2 PHE A 49 25.505 26.466 14.265 1.00 27.73 C ATOM 536 CE1 PHE A 49 26.536 23.968 14.916 1.00 25.22 C ATOM 537 CE2 PHE A 49 24.629 25.393 14.544 1.00 26.24 C ATOM 538 CZ PHE A 49 25.154 24.143 14.881 1.00 24.81 C ATOM 539 H PHE A 49 26.356 29.197 15.362 1.00 0.00 H ATOM 540 N SER A 50 30.530 29.167 15.147 1.00 28.11 N ATOM 541 CA SER A 50 31.578 30.100 14.733 1.00 28.83 C ATOM 542 C SER A 50 32.556 29.377 13.844 1.00 28.10 C ATOM 543 O SER A 50 33.025 28.291 14.200 1.00 26.12 O ATOM 544 CB SER A 50 32.354 30.640 15.936 1.00 30.64 C ATOM 545 OG SER A 50 31.732 31.779 16.477 1.00 33.40 O ATOM 546 HG SER A 50 32.257 32.104 17.251 1.00 0.00 H ATOM 547 H SER A 50 30.803 28.312 15.673 1.00 0.00 H ATOM 548 N GLY A 50A 32.877 29.977 12.697 1.00 28.45 N ATOM 549 CA GLY A 50A 33.844 29.383 11.771 1.00 28.04 C ATOM 550 C GLY A 50A 33.274 28.230 10.957 1.00 26.76 C ATOM 551 O GLY A 50A 34.009 27.541 10.242 1.00 26.67 O ATOM 552 H GLY A 50A 32.432 30.885 12.455 1.00 0.00 H ATOM 553 N TYR A 51 31.964 28.016 11.064 1.00 25.79 N ATOM 554 CA TYR A 51 31.301 26.944 10.331 1.00 24.86 C ATOM 555 C TYR A 51 30.978 27.363 8.902 1.00 26.17 C ATOM 556 O TYR A 51 30.813 26.516 8.029 1.00 25.47 O ATOM 557 CB TYR A 51 30.018 26.508 11.042 1.00 23.32 C ATOM 558 CG TYR A 51 30.197 25.409 12.060 1.00 21.62 C ATOM 559 CD1 TYR A 51 30.921 25.627 13.246 1.00 21.36 C ATOM 560 CD2 TYR A 51 29.616 24.158 11.862 1.00 19.57 C ATOM 561 CE1 TYR A 51 31.084 24.610 14.188 1.00 19.71 C ATOM 562 CE2 TYR A 51 29.771 23.131 12.799 1.00 19.60 C ATOM 563 CZ TYR A 51 30.493 23.370 13.962 1.00 20.57 C ATOM 564 OH TYR A 51 30.639 22.348 14.872 1.00 21.11 O ATOM 565 HH TYR A 51 31.173 22.667 15.642 1.00 0.00 H ATOM 566 H TYR A 51 31.399 28.629 11.686 1.00 0.00 H ATOM 567 N ASP A 52 30.877 28.670 8.678 1.00 28.42 N ATOM 568 CA ASP A 52 30.510 29.207 7.370 1.00 30.60 C ATOM 569 C ASP A 52 31.735 29.432 6.490 1.00 31.88 C ATOM 570 O ASP A 52 31.630 29.401 5.267 1.00 33.00 O ATOM 571 CB ASP A 52 29.711 30.513 7.531 1.00 32.15 C ATOM 572 CG ASP A 52 28.844 30.839 6.313 1.00 35.15 C ATOM 573 OD1 ASP A 52 28.373 29.904 5.636 1.00 36.26 O ATOM 574 OD2 ASP A 52 28.620 32.038 6.026 1.00 40.22 O ATOM 575 H ASP A 52 31.065 29.331 9.459 1.00 0.00 H ATOM 576 N LYS A 53 32.888 29.661 7.114 1.00 32.58 N ATOM 577 CA LYS A 53 34.119 30.042 6.411 1.00 34.29 C ATOM 578 C LYS A 53 34.656 28.866 5.578 1.00 33.49 C ATOM 579 O LYS A 53 34.760 27.726 6.066 1.00 31.64 O ATOM 580 CB LYS A 53 35.161 30.527 7.433 1.00 35.33 C ATOM 581 CG LYS A 53 36.544 30.957 6.886 1.00 39.64 C ATOM 582 CD LYS A 53 37.266 31.847 7.931 1.00 44.17 C ATOM 583 CE LYS A 53 38.800 31.803 7.836 1.00 46.46 C ATOM 584 NZ LYS A 53 39.336 32.498 6.638 1.00 48.41 N ATOM 585 HZ1 LYS A 53 38.956 32.050 5.780 1.00 0.00 H ATOM 586 HZ2 LYS A 53 39.052 33.498 6.663 1.00 0.00 H ATOM 587 HZ3 LYS A 53 40.374 32.431 6.635 1.00 0.00 H ATOM 588 H LYS A 53 32.918 29.565 8.149 1.00 0.00 H ATOM 589 N LYS A 54 34.970 29.146 4.317 1.00 34.54 N ATOM 590 CA LYS A 54 35.625 28.164 3.449 1.00 34.58 C ATOM 591 C LYS A 54 37.074 27.957 3.884 1.00 34.38 C ATOM 592 O LYS A 54 37.810 28.922 4.119 1.00 35.51 O ATOM 593 CB LYS A 54 35.587 28.601 1.979 1.00 36.62 C ATOM 594 CG LYS A 54 34.192 28.899 1.416 1.00 38.73 C ATOM 595 CD LYS A 54 33.325 27.650 1.397 1.00 39.43 C ATOM 596 CE LYS A 54 31.884 27.966 1.018 1.00 41.43 C ATOM 597 NZ LYS A 54 31.093 26.702 0.910 1.00 41.84 N ATOM 598 HZ1 LYS A 54 31.513 26.093 0.179 1.00 0.00 H ATOM 599 HZ2 LYS A 54 31.106 26.207 1.825 1.00 0.00 H ATOM 600 HZ3 LYS A 54 30.112 26.930 0.651 1.00 0.00 H ATOM 601 H LYS A 54 34.745 30.087 3.936 1.00 0.00 H ATOM 602 N GLN A 55 37.462 26.693 3.993 1.00 32.32 N ATOM 603 CA GLN A 55 38.809 26.290 4.366 1.00 32.32 C ATOM 604 C GLN A 55 39.222 25.138 3.454 1.00 31.69 C ATOM 605 O GLN A 55 38.362 24.466 2.874 1.00 30.91 O ATOM 606 CB GLN A 55 38.825 25.770 5.810 1.00 30.92 C ATOM 607 CG GLN A 55 38.284 26.707 6.887 1.00 31.36 C ATOM 608 CD GLN A 55 39.321 27.662 7.407 1.00 35.43 C ATOM 609 OE1 GLN A 55 39.115 28.315 8.431 1.00 37.37 O ATOM 610 NE2 GLN A 55 40.442 27.768 6.701 1.00 36.26 N ATOM 611 HE22 GLN A 55 40.572 27.196 5.842 1.00 0.00 H ATOM 612 HE21 GLN A 55 41.189 28.423 7.007 1.00 0.00 H ATOM 613 H GLN A 55 36.763 25.947 3.801 1.00 0.00 H ATOM 614 N THR A 56 40.524 24.891 3.335 1.00 32.10 N ATOM 615 CA THR A 56 40.999 23.646 2.716 1.00 30.94 C ATOM 616 C THR A 56 41.432 22.680 3.821 1.00 29.29 C ATOM 617 O THR A 56 42.561 22.744 4.297 1.00 30.21 O ATOM 618 CB THR A 56 42.177 23.880 1.748 1.00 32.28 C ATOM 619 OG1 THR A 56 43.230 24.547 2.443 1.00 32.09 O ATOM 620 CG2 THR A 56 41.753 24.715 0.551 1.00 34.80 C ATOM 621 HG1 THR A 56 43.529 23.987 3.202 1.00 0.00 H ATOM 622 H THR A 56 41.213 25.587 3.684 1.00 0.00 H ATOM 623 N TRP A 57 40.537 21.789 4.231 1.00 27.39 N ATOM 624 CA TRP A 57 40.786 20.948 5.397 1.00 25.95 C ATOM 625 C TRP A 57 41.736 19.769 5.138 1.00 25.34 C ATOM 626 O TRP A 57 41.753 19.194 4.050 1.00 25.34 O ATOM 627 CB TRP A 57 39.465 20.409 5.952 1.00 24.60 C ATOM 628 CG TRP A 57 38.418 21.460 6.248 1.00 25.05 C ATOM 629 CD1 TRP A 57 37.391 21.836 5.438 1.00 25.22 C ATOM 630 CD2 TRP A 57 38.292 22.241 7.444 1.00 24.54 C ATOM 631 NE1 TRP A 57 36.631 22.804 6.050 1.00 26.86 N ATOM 632 CE2 TRP A 57 37.160 23.071 7.282 1.00 24.99 C ATOM 633 CE3 TRP A 57 39.031 22.328 8.628 1.00 24.28 C ATOM 634 CZ2 TRP A 57 36.746 23.969 8.257 1.00 24.87 C ATOM 635 CZ3 TRP A 57 38.622 23.228 9.597 1.00 25.65 C ATOM 636 CH2 TRP A 57 37.486 24.033 9.406 1.00 25.74 C ATOM 637 HE1 TRP A 57 35.790 23.260 5.642 1.00 0.00 H ATOM 638 H TRP A 57 39.642 21.689 3.711 1.00 0.00 H ATOM 639 N THR A 58 42.516 19.410 6.154 1.00 24.77 N ATOM 640 CA THR A 58 43.281 18.181 6.115 1.00 23.89 C ATOM 641 C THR A 58 42.355 17.054 6.540 1.00 22.69 C ATOM 642 O THR A 58 41.675 17.119 7.589 1.00 22.04 O ATOM 643 CB THR A 58 44.522 18.235 7.032 1.00 24.92 C ATOM 644 OG1 THR A 58 45.411 19.243 6.556 1.00 25.89 O ATOM 645 CG2 THR A 58 45.283 16.897 7.047 1.00 24.43 C ATOM 646 HG1 THR A 58 46.209 19.281 7.141 1.00 0.00 H ATOM 647 H THR A 58 42.578 20.023 6.992 1.00 0.00 H ATOM 648 N VAL A 59 42.303 16.023 5.713 1.00 21.81 N ATOM 649 CA VAL A 59 41.517 14.863 6.057 1.00 21.44 C ATOM 650 C VAL A 59 42.426 13.635 6.055 1.00 21.51 C ATOM 651 O VAL A 59 43.326 13.527 5.205 1.00 22.07 O ATOM 652 CB VAL A 59 40.228 14.734 5.184 1.00 21.10 C ATOM 653 CG1 VAL A 59 40.528 14.348 3.769 1.00 21.78 C ATOM 654 CG2 VAL A 59 39.275 13.751 5.807 1.00 20.74 C ATOM 655 H VAL A 59 42.828 16.048 4.816 1.00 0.00 H ATOM 656 N GLN A 60 42.223 12.747 7.029 1.00 21.02 N ATOM 657 CA GLN A 60 43.088 11.572 7.166 1.00 21.59 C ATOM 658 C GLN A 60 42.352 10.277 7.516 1.00 20.68 C ATOM 659 O GLN A 60 41.287 10.295 8.158 1.00 20.40 O ATOM 660 CB GLN A 60 44.240 11.850 8.139 1.00 22.84 C ATOM 661 CG GLN A 60 43.849 11.873 9.607 1.00 26.08 C ATOM 662 CD GLN A 60 45.012 12.233 10.519 1.00 30.33 C ATOM 663 OE1 GLN A 60 45.939 12.935 10.115 1.00 32.85 O ATOM 664 NE2 GLN A 60 44.961 11.756 11.757 1.00 31.67 N ATOM 665 HE22 GLN A 60 44.157 11.167 12.054 1.00 0.00 H ATOM 666 HE21 GLN A 60 45.725 11.972 12.429 1.00 0.00 H ATOM 667 H GLN A 60 41.441 12.890 7.700 1.00 0.00 H ATOM 668 N ASN A 61 42.927 9.157 7.071 1.00 20.35 N ATOM 669 CA ASN A 61 42.445 7.826 7.426 1.00 19.80 C ATOM 670 C ASN A 61 43.222 7.329 8.644 1.00 20.53 C ATOM 671 O ASN A 61 44.438 7.098 8.568 1.00 21.16 O ATOM 672 CB ASN A 61 42.610 6.904 6.215 1.00 19.86 C ATOM 673 CG ASN A 61 42.255 5.453 6.499 1.00 20.91 C ATOM 674 OD1 ASN A 61 42.236 4.998 7.652 1.00 20.17 O ATOM 675 ND2 ASN A 61 41.989 4.705 5.427 1.00 19.26 N ATOM 676 HD22 ASN A 61 42.016 5.129 4.478 1.00 0.00 H ATOM 677 HD21 ASN A 61 41.754 3.698 5.541 1.00 0.00 H ATOM 678 H ASN A 61 43.754 9.237 6.445 1.00 0.00 H ATOM 679 N ASN A 62 42.549 7.187 9.782 1.00 20.16 N ATOM 680 CA ASN A 62 43.274 6.807 10.987 1.00 21.77 C ATOM 681 C ASN A 62 43.167 5.308 11.285 1.00 22.01 C ATOM 682 O ASN A 62 43.579 4.849 12.354 1.00 22.86 O ATOM 683 CB ASN A 62 42.858 7.665 12.189 1.00 21.81 C ATOM 684 CG ASN A 62 41.590 7.182 12.835 1.00 23.05 C ATOM 685 OD1 ASN A 62 40.755 6.537 12.186 1.00 21.83 O ATOM 686 ND2 ASN A 62 41.427 7.484 14.127 1.00 22.80 N ATOM 687 HD22 ASN A 62 42.157 8.028 14.630 1.00 0.00 H ATOM 688 HD21 ASN A 62 40.570 7.175 14.629 1.00 0.00 H ATOM 689 H ASN A 62 41.521 7.345 9.811 1.00 0.00 H ATOM 690 N GLY A 63 42.618 4.560 10.322 1.00 21.50 N ATOM 691 CA GLY A 63 42.388 3.125 10.477 1.00 21.77 C ATOM 692 C GLY A 63 41.033 2.764 11.072 1.00 21.80 C ATOM 693 O GLY A 63 40.685 1.594 11.129 1.00 22.16 O ATOM 694 H GLY A 63 42.344 5.017 9.429 1.00 0.00 H ATOM 695 N HIS A 64 40.276 3.756 11.540 1.00 21.63 N ATOM 696 CA HIS A 64 38.969 3.496 12.176 1.00 22.33 C ATOM 697 C HIS A 64 37.850 4.243 11.474 1.00 21.57 C ATOM 698 O HIS A 64 36.695 3.857 11.572 1.00 22.30 O ATOM 699 CB HIS A 64 38.969 3.910 13.657 1.00 23.00 C ATOM 700 CG HIS A 64 40.126 3.376 14.432 1.00 25.33 C ATOM 701 ND1 HIS A 64 40.382 2.025 14.552 1.00 28.42 N ATOM 702 CD2 HIS A 64 41.106 4.010 15.118 1.00 27.20 C ATOM 703 CE1 HIS A 64 41.472 1.850 15.279 1.00 29.79 C ATOM 704 NE2 HIS A 64 41.933 3.039 15.631 1.00 29.27 N ATOM 705 H HIS A 64 40.614 4.736 11.455 1.00 0.00 H ATOM 706 N SER A 65 38.213 5.353 10.828 1.00 21.02 N ATOM 707 CA SER A 65 37.301 6.229 10.110 1.00 20.70 C ATOM 708 C SER A 65 38.155 7.222 9.318 1.00 20.70 C ATOM 709 O SER A 65 39.382 7.133 9.320 1.00 20.95 O ATOM 710 CB SER A 65 36.361 6.971 11.074 1.00 20.50 C ATOM 711 OG SER A 65 35.434 7.797 10.382 1.00 22.33 O ATOM 712 HG SER A 65 34.849 8.255 11.037 1.00 0.00 H ATOM 713 H SER A 65 39.221 5.610 10.839 1.00 0.00 H ATOM 714 N VAL A 66 37.490 8.137 8.623 1.00 20.34 N ATOM 715 CA VAL A 66 38.123 9.310 8.063 1.00 20.56 C ATOM 716 C VAL A 66 37.809 10.503 8.966 1.00 20.35 C ATOM 717 O VAL A 66 36.689 10.632 9.468 1.00 19.91 O ATOM 718 CB VAL A 66 37.653 9.575 6.603 1.00 20.85 C ATOM 719 CG1 VAL A 66 36.157 9.733 6.523 1.00 20.25 C ATOM 720 CG2 VAL A 66 38.317 10.809 6.057 1.00 22.67 C ATOM 721 H VAL A 66 36.469 8.004 8.475 1.00 0.00 H ATOM 722 N MET A 67 38.789 11.390 9.114 1.00 20.19 N ATOM 723 CA MET A 67 38.766 12.443 10.110 1.00 20.89 C ATOM 724 C MET A 67 39.313 13.766 9.560 1.00 20.58 C ATOM 725 O MET A 67 40.468 13.829 9.120 1.00 21.05 O ATOM 726 CB MET A 67 39.621 11.973 11.300 1.00 21.50 C ATOM 727 CG MET A 67 39.894 12.989 12.366 1.00 25.76 C ATOM 728 SD MET A 67 40.679 12.185 13.806 1.00 32.87 S ATOM 729 CE MET A 67 42.182 11.533 13.069 1.00 31.23 C ATOM 730 H MET A 67 39.613 11.325 8.483 1.00 0.00 H ATOM 731 N MET A 68 38.487 14.810 9.596 1.00 19.89 N ATOM 732 CA MET A 68 38.928 16.163 9.255 1.00 21.05 C ATOM 733 C MET A 68 39.513 16.787 10.514 1.00 21.41 C ATOM 734 O MET A 68 38.945 16.645 11.585 1.00 21.56 O ATOM 735 CB MET A 68 37.776 17.016 8.738 1.00 20.67 C ATOM 736 CG MET A 68 37.289 16.633 7.340 1.00 22.90 C ATOM 737 SD MET A 68 35.618 17.229 6.963 1.00 24.04 S ATOM 738 CE MET A 68 35.871 19.002 6.846 1.00 23.97 C ATOM 739 H MET A 68 37.497 14.659 9.875 1.00 0.00 H ATOM 740 N LEU A 69 40.650 17.459 10.379 1.00 22.14 N ATOM 741 CA LEU A 69 41.294 18.119 11.505 1.00 23.63 C ATOM 742 C LEU A 69 40.831 19.568 11.508 1.00 24.29 C ATOM 743 O LEU A 69 41.144 20.329 10.583 1.00 24.64 O ATOM 744 CB LEU A 69 42.822 18.035 11.392 1.00 24.65 C ATOM 745 CG LEU A 69 43.443 16.658 11.100 1.00 25.34 C ATOM 746 CD1 LEU A 69 44.958 16.774 10.935 1.00 25.73 C ATOM 747 CD2 LEU A 69 43.091 15.651 12.205 1.00 24.21 C ATOM 748 H LEU A 69 41.094 17.516 9.440 1.00 0.00 H ATOM 749 N LEU A 70 40.074 19.937 12.540 1.00 24.48 N ATOM 750 CA LEU A 70 39.430 21.248 12.592 1.00 25.18 C ATOM 751 C LEU A 70 40.278 22.327 13.275 1.00 27.57 C ATOM 752 O LEU A 70 40.028 23.519 13.091 1.00 28.19 O ATOM 753 CB LEU A 70 38.034 21.133 13.202 1.00 22.90 C ATOM 754 CG LEU A 70 37.169 20.089 12.473 1.00 22.01 C ATOM 755 CD1 LEU A 70 35.798 19.968 13.077 1.00 20.69 C ATOM 756 CD2 LEU A 70 37.061 20.334 10.941 1.00 22.35 C ATOM 757 H LEU A 70 39.938 19.274 13.330 1.00 0.00 H ATOM 758 N GLU A 71 41.273 21.891 14.058 1.00 29.04 N ATOM 759 CA GLU A 71 42.336 22.757 14.606 1.00 32.03 C ATOM 760 C GLU A 71 41.865 24.050 15.294 1.00 31.89 C ATOM 761 O GLU A 71 42.451 25.110 15.091 1.00 33.93 O ATOM 762 CB GLU A 71 43.369 23.070 13.517 1.00 34.97 C ATOM 763 CG GLU A 71 43.733 21.856 12.670 1.00 37.49 C ATOM 764 CD GLU A 71 45.107 21.943 12.073 1.00 45.23 C ATOM 765 OE1 GLU A 71 45.557 23.064 11.724 1.00 50.04 O ATOM 766 OE2 GLU A 71 45.741 20.871 11.938 1.00 48.71 O ATOM 767 H GLU A 71 41.299 20.879 14.295 1.00 0.00 H ATOM 768 N ASN A 72 40.788 23.918 16.043 1.00 26.12 N ATOM 769 CA ASN A 72 40.246 25.085 16.744 1.00 27.04 C ATOM 770 C ASN A 72 39.844 26.212 15.793 1.00 26.19 C ATOM 771 O ASN A 72 39.692 27.356 16.216 1.00 25.34 O ATOM 772 CB ASN A 72 41.253 25.622 17.773 1.00 27.93 C ATOM 773 CG ASN A 72 41.743 24.552 18.730 1.00 29.94 C ATOM 774 OD1 ASN A 72 40.990 23.664 19.123 1.00 33.04 O ATOM 775 ND2 ASN A 72 43.013 24.634 19.111 1.00 30.74 N ATOM 776 HD22 ASN A 72 43.615 25.403 18.753 1.00 0.00 H ATOM 777 HD21 ASN A 72 43.406 23.929 19.767 1.00 0.00 H ATOM 778 H ASN A 72 40.326 22.991 16.136 1.00 0.00 H ATOM 779 N LYS A 76 39.669 25.895 14.514 1.00 26.14 N ATOM 780 CA LYS A 76 39.301 26.911 13.535 1.00 27.10 C ATOM 781 C LYS A 76 37.792 27.115 13.507 1.00 26.17 C ATOM 782 O LYS A 76 37.274 27.896 12.710 1.00 26.61 O ATOM 783 CB LYS A 76 39.823 26.538 12.148 1.00 30.98 C ATOM 784 CG LYS A 76 41.302 26.834 11.971 1.00 36.48 C ATOM 785 CD LYS A 76 41.834 26.315 10.647 1.00 40.27 C ATOM 786 CE LYS A 76 43.271 26.768 10.425 1.00 45.49 C ATOM 787 NZ LYS A 76 43.878 26.151 9.213 1.00 48.37 N ATOM 788 HZ1 LYS A 76 43.878 25.116 9.316 1.00 0.00 H ATOM 789 HZ2 LYS A 76 43.323 26.417 8.375 1.00 0.00 H ATOM 790 HZ3 LYS A 76 44.855 26.490 9.105 1.00 0.00 H ATOM 791 H LYS A 76 39.796 24.909 14.208 1.00 0.00 H ATOM 792 N ALA A 77 37.090 26.482 14.304 1.00 24.40 N ATOM 793 CA ALA A 77 35.652 26.586 14.543 1.00 22.73 C ATOM 794 C ALA A 77 35.298 26.306 16.000 1.00 21.57 C ATOM 795 O ALA A 77 36.042 25.634 16.717 1.00 21.49 O ATOM 796 CB ALA A 77 34.868 25.654 13.620 1.00 20.94 C ATOM 797 H ALA A 77 37.592 25.779 14.884 1.00 0.00 H ATOM 798 N SER A 78 34.155 26.830 16.430 1.00 21.02 N ATOM 799 CA SER A 78 33.695 26.663 17.810 1.00 20.88 C ATOM 800 C SER A 78 32.175 26.772 17.904 1.00 20.46 C ATOM 801 O SER A 78 31.508 27.208 16.951 1.00 20.92 O ATOM 802 CB SER A 78 34.380 27.674 18.731 1.00 22.01 C ATOM 803 OG SER A 78 33.906 28.978 18.472 1.00 23.35 O ATOM 804 HG SER A 78 34.099 29.217 17.531 1.00 0.00 H ATOM 805 H SER A 78 33.569 27.375 15.766 1.00 0.00 H ATOM 806 N ILE A 79 31.628 26.347 19.038 1.00 20.27 N ATOM 807 CA ILE A 79 30.178 26.371 19.263 1.00 19.73 C ATOM 808 C ILE A 79 29.850 26.947 20.632 1.00 20.88 C ATOM 809 O ILE A 79 30.670 26.904 21.562 1.00 21.01 O ATOM 810 CB ILE A 79 29.498 24.964 19.136 1.00 18.65 C ATOM 811 CG1 ILE A 79 30.107 23.932 20.105 1.00 18.73 C ATOM 812 CG2 ILE A 79 29.540 24.455 17.688 1.00 18.41 C ATOM 813 CD1 ILE A 79 29.362 22.569 20.117 1.00 15.71 C ATOM 814 H ILE A 79 32.248 25.985 19.791 1.00 0.00 H ATOM 815 N SER A 80 28.654 27.517 20.729 1.00 20.94 N ATOM 816 CA SER A 80 28.087 27.907 22.004 1.00 22.10 C ATOM 817 C SER A 80 26.570 27.827 21.918 1.00 21.55 C ATOM 818 O SER A 80 26.019 27.462 20.875 1.00 21.15 O ATOM 819 CB SER A 80 28.550 29.298 22.434 1.00 23.34 C ATOM 820 OG SER A 80 28.116 30.305 21.536 1.00 24.42 O ATOM 821 HG SER A 80 28.437 31.187 21.851 1.00 0.00 H ATOM 822 H SER A 80 28.107 27.689 19.861 1.00 0.00 H ATOM 823 N GLY A 81 25.907 28.183 23.011 1.00 22.26 N ATOM 824 CA GLY A 81 24.482 27.939 23.153 1.00 22.00 C ATOM 825 C GLY A 81 24.277 26.438 23.233 1.00 21.13 C ATOM 826 O GLY A 81 25.143 25.716 23.738 1.00 20.65 O ATOM 827 H GLY A 81 26.421 28.649 23.786 1.00 0.00 H ATOM 828 N GLY A 82 23.144 25.964 22.726 1.00 20.69 N ATOM 829 CA GLY A 82 22.816 24.540 22.753 1.00 20.25 C ATOM 830 C GLY A 82 22.615 23.971 24.155 1.00 21.56 C ATOM 831 O GLY A 82 22.773 22.770 24.369 1.00 21.32 O ATOM 832 H GLY A 82 22.469 26.628 22.296 1.00 0.00 H ATOM 833 N GLY A 83 22.262 24.826 25.105 1.00 22.74 N ATOM 834 CA GLY A 83 22.178 24.420 26.506 1.00 25.04 C ATOM 835 C GLY A 83 23.518 24.056 27.135 1.00 24.96 C ATOM 836 O GLY A 83 23.556 23.483 28.216 1.00 26.42 O ATOM 837 H GLY A 83 22.040 25.809 24.847 1.00 0.00 H ATOM 838 N LEU A 84 24.617 24.409 26.468 1.00 24.22 N ATOM 839 CA LEU A 84 25.973 24.085 26.929 1.00 24.25 C ATOM 840 C LEU A 84 26.462 25.093 27.970 1.00 25.57 C ATOM 841 O LEU A 84 26.095 26.265 27.917 1.00 25.76 O ATOM 842 CB LEU A 84 26.946 24.066 25.733 1.00 22.89 C ATOM 843 CG LEU A 84 27.276 22.782 24.963 1.00 23.06 C ATOM 844 CD1 LEU A 84 26.212 21.707 25.074 1.00 25.28 C ATOM 845 CD2 LEU A 84 27.669 23.064 23.491 1.00 21.84 C ATOM 846 H LEU A 84 24.509 24.939 25.580 1.00 0.00 H ATOM 847 N PRO A 85 27.316 24.645 28.915 1.00 26.61 N ATOM 848 CA PRO A 85 27.791 25.509 30.011 1.00 28.18 C ATOM 849 C PRO A 85 28.900 26.498 29.634 1.00 27.96 C ATOM 850 O PRO A 85 29.189 27.442 30.388 1.00 29.74 O ATOM 851 CB PRO A 85 28.333 24.506 31.032 1.00 29.73 C ATOM 852 CG PRO A 85 28.714 23.320 30.239 1.00 28.52 C ATOM 853 CD PRO A 85 27.784 23.254 29.063 1.00 26.23 C ATOM 854 N ALA A 86 29.513 26.273 28.481 1.00 26.21 N ATOM 855 CA ALA A 86 30.653 27.049 28.027 1.00 26.13 C ATOM 856 C ALA A 86 30.696 26.988 26.509 1.00 24.45 C ATOM 857 O ALA A 86 29.976 26.197 25.894 1.00 23.26 O ATOM 858 CB ALA A 86 31.942 26.478 28.609 1.00 26.84 C ATOM 859 H ALA A 86 29.161 25.506 27.874 1.00 0.00 H ATOM 860 N PRO A 87 31.525 27.839 25.891 1.00 24.90 N ATOM 861 CA PRO A 87 31.809 27.560 24.495 1.00 23.50 C ATOM 862 C PRO A 87 32.777 26.380 24.394 1.00 22.71 C ATOM 863 O PRO A 87 33.469 26.067 25.361 1.00 23.09 O ATOM 864 CB PRO A 87 32.423 28.860 23.982 1.00 24.53 C ATOM 865 CG PRO A 87 32.861 29.611 25.192 1.00 27.20 C ATOM 866 CD PRO A 87 32.079 29.126 26.358 1.00 26.64 C ATOM 867 N TYR A 88 32.771 25.710 23.248 1.00 21.37 N ATOM 868 CA TYR A 88 33.601 24.531 23.002 1.00 20.88 C ATOM 869 C TYR A 88 34.359 24.717 21.688 1.00 21.19 C ATOM 870 O TYR A 88 33.760 25.196 20.704 1.00 20.97 O ATOM 871 CB TYR A 88 32.710 23.283 22.879 1.00 19.36 C ATOM 872 CG TYR A 88 32.183 22.745 24.196 1.00 19.21 C ATOM 873 CD1 TYR A 88 31.274 23.470 24.955 1.00 20.41 C ATOM 874 CD2 TYR A 88 32.570 21.501 24.658 1.00 18.69 C ATOM 875 CE1 TYR A 88 30.783 22.983 26.167 1.00 20.08 C ATOM 876 CE2 TYR A 88 32.089 21.000 25.856 1.00 18.57 C ATOM 877 CZ TYR A 88 31.189 21.747 26.608 1.00 19.16 C ATOM 878 OH TYR A 88 30.713 21.262 27.809 1.00 19.61 O ATOM 879 HH TYR A 88 31.472 21.113 28.427 1.00 0.00 H ATOM 880 H TYR A 88 32.144 26.040 22.486 1.00 0.00 H ATOM 881 N GLN A 89 35.639 24.333 21.656 1.00 21.37 N ATOM 882 CA GLN A 89 36.458 24.433 20.423 1.00 21.65 C ATOM 883 C GLN A 89 36.430 23.154 19.575 1.00 20.08 C ATOM 884 O GLN A 89 36.596 22.066 20.109 1.00 19.69 O ATOM 885 CB GLN A 89 37.904 24.769 20.761 1.00 23.98 C ATOM 886 CG GLN A 89 38.105 26.090 21.485 1.00 26.79 C ATOM 887 CD GLN A 89 39.557 26.485 21.519 1.00 32.57 C ATOM 888 OE1 GLN A 89 39.999 27.313 20.717 1.00 35.89 O ATOM 889 NE2 GLN A 89 40.326 25.878 22.431 1.00 32.49 N ATOM 890 HE22 GLN A 89 39.908 25.187 23.086 1.00 0.00 H ATOM 891 HE21 GLN A 89 41.341 26.098 22.484 1.00 0.00 H ATOM 892 H GLN A 89 36.074 23.953 22.521 1.00 0.00 H ATOM 893 N ALA A 90 36.257 23.294 18.258 1.00 19.43 N ATOM 894 CA ALA A 90 36.214 22.134 17.360 1.00 18.48 C ATOM 895 C ALA A 90 37.585 21.515 17.132 1.00 20.08 C ATOM 896 O ALA A 90 38.548 22.210 16.804 1.00 21.58 O ATOM 897 CB ALA A 90 35.565 22.500 16.032 1.00 17.85 C ATOM 898 H ALA A 90 36.150 24.248 17.859 1.00 0.00 H ATOM 899 N LYS A 91 37.668 20.196 17.286 1.00 19.69 N ATOM 900 CA LYS A 91 38.942 19.502 17.106 1.00 21.96 C ATOM 901 C LYS A 91 38.990 18.652 15.840 1.00 21.30 C ATOM 902 O LYS A 91 40.009 18.615 15.152 1.00 23.22 O ATOM 903 CB LYS A 91 39.288 18.642 18.336 1.00 21.95 C ATOM 904 CG LYS A 91 39.338 19.401 19.663 1.00 23.60 C ATOM 905 CD LYS A 91 40.541 20.301 19.732 1.00 26.52 C ATOM 906 CE LYS A 91 40.598 21.029 21.039 1.00 28.92 C ATOM 907 NZ LYS A 91 41.775 21.927 21.086 1.00 32.90 N ATOM 908 HZ1 LYS A 91 42.643 21.365 20.975 1.00 0.00 H ATOM 909 HZ2 LYS A 91 41.710 22.622 20.315 1.00 0.00 H ATOM 910 HZ3 LYS A 91 41.796 22.422 22.000 1.00 0.00 H ATOM 911 H LYS A 91 36.817 19.653 17.537 1.00 0.00 H ATOM 912 N GLN A 92 37.893 17.947 15.572 1.00 20.10 N ATOM 913 CA GLN A 92 37.835 16.975 14.493 1.00 20.30 C ATOM 914 C GLN A 92 36.408 16.688 14.095 1.00 19.01 C ATOM 915 O GLN A 92 35.464 16.846 14.899 1.00 19.65 O ATOM 916 CB GLN A 92 38.527 15.664 14.904 1.00 20.92 C ATOM 917 CG GLN A 92 37.910 15.042 16.148 1.00 19.86 C ATOM 918 CD GLN A 92 38.233 13.573 16.312 1.00 21.47 C ATOM 919 OE1 GLN A 92 37.714 12.722 15.588 1.00 20.39 O ATOM 920 NE2 GLN A 92 39.087 13.264 17.284 1.00 22.11 N ATOM 921 HE22 GLN A 92 39.501 14.016 17.871 1.00 0.00 H ATOM 922 HE21 GLN A 92 39.341 12.270 17.457 1.00 0.00 H ATOM 923 H GLN A 92 37.046 18.097 16.156 1.00 0.00 H ATOM 924 N LEU A 93 36.245 16.276 12.847 1.00 18.68 N ATOM 925 CA LEU A 93 34.990 15.731 12.371 1.00 17.10 C ATOM 926 C LEU A 93 35.302 14.355 11.782 1.00 17.07 C ATOM 927 O LEU A 93 36.294 14.203 11.073 1.00 18.72 O ATOM 928 CB LEU A 93 34.408 16.654 11.303 1.00 17.05 C ATOM 929 CG LEU A 93 33.101 16.273 10.598 1.00 17.28 C ATOM 930 CD1 LEU A 93 32.452 17.557 10.081 1.00 17.58 C ATOM 931 CD2 LEU A 93 33.304 15.280 9.438 1.00 16.62 C ATOM 932 H LEU A 93 37.045 16.346 12.186 1.00 0.00 H ATOM 933 N HIS A 94 34.471 13.359 12.065 1.00 15.87 N ATOM 934 CA HIS A 94 34.667 12.026 11.479 1.00 16.26 C ATOM 935 C HIS A 94 33.309 11.372 11.283 1.00 15.03 C ATOM 936 O HIS A 94 32.292 11.920 11.710 1.00 14.40 O ATOM 937 CB HIS A 94 35.561 11.151 12.374 1.00 16.90 C ATOM 938 CG HIS A 94 34.974 10.876 13.725 1.00 16.65 C ATOM 939 ND1 HIS A 94 35.442 11.477 14.872 1.00 17.19 N ATOM 940 CD2 HIS A 94 33.940 10.088 14.109 1.00 15.69 C ATOM 941 CE1 HIS A 94 34.736 11.063 15.908 1.00 16.78 C ATOM 942 NE2 HIS A 94 33.819 10.216 15.474 1.00 17.16 N ATOM 943 H HIS A 94 33.672 13.524 12.709 1.00 0.00 H ATOM 944 N LEU A 95 33.282 10.208 10.642 1.00 15.18 N ATOM 945 CA LEU A 95 32.007 9.525 10.389 1.00 14.83 C ATOM 946 C LEU A 95 31.985 8.047 10.757 1.00 14.76 C ATOM 947 O LEU A 95 33.018 7.452 10.980 1.00 16.02 O ATOM 948 CB LEU A 95 31.531 9.725 8.929 1.00 14.85 C ATOM 949 CG LEU A 95 31.295 11.161 8.457 1.00 16.96 C ATOM 950 CD1 LEU A 95 32.558 11.724 7.800 1.00 18.69 C ATOM 951 CD2 LEU A 95 30.100 11.286 7.488 1.00 18.15 C ATOM 952 H LEU A 95 34.171 9.777 10.317 1.00 0.00 H ATOM 953 N HIS A 96 30.775 7.489 10.848 1.00 14.13 N ATOM 954 CA HIS A 96 30.550 6.064 11.021 1.00 14.12 C ATOM 955 C HIS A 96 29.515 5.692 9.975 1.00 13.18 C ATOM 956 O HIS A 96 28.593 6.469 9.729 1.00 12.82 O ATOM 957 CB HIS A 96 30.001 5.775 12.425 1.00 14.01 C ATOM 958 CG HIS A 96 30.872 6.301 13.528 1.00 15.21 C ATOM 959 ND1 HIS A 96 31.787 5.511 14.193 1.00 14.25 N ATOM 960 CD2 HIS A 96 30.974 7.539 14.079 1.00 12.85 C ATOM 961 CE1 HIS A 96 32.397 6.233 15.121 1.00 13.52 C ATOM 962 NE2 HIS A 96 31.926 7.467 15.066 1.00 15.30 N ATOM 963 H HIS A 96 29.944 8.112 10.792 1.00 0.00 H ATOM 964 N TRP A 97 29.667 4.531 9.349 1.00 13.12 N ATOM 965 CA TRP A 97 28.785 4.143 8.240 1.00 13.78 C ATOM 966 C TRP A 97 28.713 2.646 8.039 1.00 14.06 C ATOM 967 O TRP A 97 29.501 1.905 8.585 1.00 14.23 O ATOM 968 CB TRP A 97 29.195 4.810 6.905 1.00 13.56 C ATOM 969 CG TRP A 97 30.602 4.448 6.442 1.00 15.38 C ATOM 970 CD1 TRP A 97 30.964 3.395 5.646 1.00 16.78 C ATOM 971 CD2 TRP A 97 31.815 5.126 6.781 1.00 16.39 C ATOM 972 NE1 TRP A 97 32.321 3.384 5.456 1.00 16.67 N ATOM 973 CE2 TRP A 97 32.872 4.435 6.143 1.00 17.12 C ATOM 974 CE3 TRP A 97 32.114 6.260 7.558 1.00 15.98 C ATOM 975 CZ2 TRP A 97 34.203 4.834 6.258 1.00 18.10 C ATOM 976 CZ3 TRP A 97 33.435 6.667 7.666 1.00 16.92 C ATOM 977 CH2 TRP A 97 34.471 5.952 7.025 1.00 18.21 C ATOM 978 HE1 TRP A 97 32.847 2.692 4.885 1.00 0.00 H ATOM 979 H TRP A 97 30.424 3.884 9.649 1.00 0.00 H ATOM 980 N SER A 98 27.761 2.228 7.214 1.00 15.11 N ATOM 981 CA SER A 98 27.727 0.900 6.662 1.00 16.10 C ATOM 982 C SER A 98 27.623 0.989 5.127 1.00 17.15 C ATOM 983 O SER A 98 28.029 1.990 4.538 1.00 17.37 O ATOM 984 CB SER A 98 26.564 0.138 7.272 1.00 16.65 C ATOM 985 OG SER A 98 26.603 -1.205 6.845 1.00 19.41 O ATOM 986 HG SER A 98 27.455 -1.617 7.134 1.00 0.00 H ATOM 987 H SER A 98 27.004 2.892 6.954 1.00 0.00 H ATOM 988 N ASP A 99 27.116 -0.061 4.484 1.00 18.45 N ATOM 989 CA ASP A 99 26.833 -0.045 3.041 1.00 19.29 C ATOM 990 C ASP A 99 25.373 -0.439 2.768 1.00 21.15 C ATOM 991 O ASP A 99 24.991 -0.732 1.623 1.00 21.84 O ATOM 992 CB ASP A 99 27.840 -0.922 2.249 1.00 19.50 C ATOM 993 CG ASP A 99 27.849 -2.374 2.718 1.00 20.80 C ATOM 994 OD1 ASP A 99 26.983 -2.726 3.536 1.00 20.10 O ATOM 995 OD2 ASP A 99 28.709 -3.166 2.285 1.00 19.50 O ATOM 996 H ASP A 99 26.912 -0.926 5.023 1.00 0.00 H ATOM 997 N LEU A 100 24.560 -0.446 3.826 1.00 21.50 N ATOM 998 CA LEU A 100 23.110 -0.651 3.684 1.00 24.37 C ATOM 999 C LEU A 100 22.371 0.579 4.210 1.00 23.91 C ATOM 1000 O LEU A 100 22.831 1.207 5.158 1.00 22.80 O ATOM 1001 CB LEU A 100 22.659 -1.938 4.393 1.00 25.32 C ATOM 1002 CG LEU A 100 23.236 -3.223 3.795 1.00 27.77 C ATOM 1003 CD1 LEU A 100 22.938 -4.446 4.678 1.00 29.67 C ATOM 1004 CD2 LEU A 100 22.722 -3.458 2.344 1.00 29.82 C ATOM 1005 H LEU A 100 24.961 -0.303 4.775 1.00 0.00 H ATOM 1006 N PRO A 101 21.237 0.953 3.575 1.00 25.79 N ATOM 1007 CA PRO A 101 20.583 2.212 3.935 1.00 25.57 C ATOM 1008 C PRO A 101 20.004 2.226 5.353 1.00 25.77 C ATOM 1009 O PRO A 101 19.922 3.293 5.979 1.00 24.86 O ATOM 1010 CB PRO A 101 19.483 2.356 2.883 1.00 27.98 C ATOM 1011 CG PRO A 101 19.253 0.979 2.375 1.00 29.61 C ATOM 1012 CD PRO A 101 20.538 0.258 2.474 1.00 27.98 C ATOM 1013 N TYR A 102 19.654 1.054 5.874 1.00 36.27 N ATOM 1014 CA TYR A 102 19.011 0.962 7.192 1.00 34.49 C ATOM 1015 C TYR A 102 19.985 0.820 8.383 1.00 31.60 C ATOM 1016 O TYR A 102 19.549 0.653 9.529 1.00 30.75 O ATOM 1017 CB TYR A 102 17.970 -0.171 7.202 1.00 36.36 C ATOM 1018 CG TYR A 102 18.564 -1.544 6.971 1.00 39.40 C ATOM 1019 CD1 TYR A 102 19.022 -2.322 8.044 1.00 39.37 C ATOM 1020 CD2 TYR A 102 18.679 -2.062 5.677 1.00 43.46 C ATOM 1021 CE1 TYR A 102 19.571 -3.587 7.827 1.00 43.44 C ATOM 1022 CE2 TYR A 102 19.223 -3.321 5.449 1.00 47.52 C ATOM 1023 CZ TYR A 102 19.667 -4.078 6.525 1.00 47.26 C ATOM 1024 OH TYR A 102 20.201 -5.328 6.285 1.00 52.09 O ATOM 1025 HH TYR A 102 20.470 -5.741 7.144 1.00 0.00 H ATOM 1026 H TYR A 102 19.839 0.183 5.337 1.00 0.00 H ATOM 1027 N LYS A 103 21.290 0.864 8.117 1.00 30.72 N ATOM 1028 CA LYS A 103 22.285 0.865 9.200 1.00 28.43 C ATOM 1029 C LYS A 103 23.525 1.652 8.846 1.00 27.52 C ATOM 1030 O LYS A 103 23.743 2.005 7.687 1.00 29.28 O ATOM 1031 CB LYS A 103 22.677 -0.552 9.630 1.00 30.32 C ATOM 1032 CG LYS A 103 23.147 -1.451 8.517 1.00 32.56 C ATOM 1033 CD LYS A 103 23.191 -2.895 8.976 1.00 37.87 C ATOM 1034 CE LYS A 103 24.479 -3.223 9.723 1.00 38.20 C ATOM 1035 NZ LYS A 103 24.691 -4.694 9.746 1.00 45.04 N ATOM 1036 HZ1 LYS A 103 23.890 -5.151 10.226 1.00 0.00 H ATOM 1037 HZ2 LYS A 103 24.760 -5.048 8.771 1.00 0.00 H ATOM 1038 HZ3 LYS A 103 25.571 -4.908 10.257 1.00 0.00 H ATOM 1039 H LYS A 103 21.610 0.898 7.128 1.00 0.00 H ATOM 1040 N GLY A 104 24.342 1.911 9.853 1.00 25.19 N ATOM 1041 CA GLY A 104 25.511 2.761 9.688 1.00 24.01 C ATOM 1042 C GLY A 104 25.627 3.827 10.756 1.00 21.27 C ATOM 1043 O GLY A 104 26.727 4.307 11.023 1.00 20.96 O ATOM 1044 H GLY A 104 24.144 1.497 10.786 1.00 0.00 H ATOM 1045 N SER A 105 24.503 4.221 11.359 1.00 20.35 N ATOM 1046 CA SER A 105 24.549 5.193 12.474 1.00 18.71 C ATOM 1047 C SER A 105 24.905 4.504 13.779 1.00 18.62 C ATOM 1048 O SER A 105 24.660 3.302 13.930 1.00 19.06 O ATOM 1049 CB SER A 105 23.250 6.019 12.612 1.00 19.14 C ATOM 1050 OG SER A 105 22.112 5.236 12.933 1.00 18.38 O ATOM 1051 HG SER A 105 22.263 4.774 13.796 1.00 0.00 H ATOM 1052 H SER A 105 23.588 3.842 11.043 1.00 0.00 H ATOM 1053 N GLU A 106 25.525 5.241 14.700 1.00 17.91 N ATOM 1054 CA GLU A 106 25.852 4.682 16.018 1.00 18.04 C ATOM 1055 C GLU A 106 24.614 4.784 16.913 1.00 18.00 C ATOM 1056 O GLU A 106 24.184 3.797 17.502 1.00 18.87 O ATOM 1057 CB GLU A 106 27.062 5.387 16.653 1.00 17.99 C ATOM 1058 CG GLU A 106 28.357 5.133 15.901 1.00 18.40 C ATOM 1059 CD GLU A 106 29.576 5.097 16.795 1.00 19.54 C ATOM 1060 OE1 GLU A 106 29.948 6.164 17.343 1.00 19.53 O ATOM 1061 OE2 GLU A 106 30.181 4.006 16.938 1.00 19.04 O ATOM 1062 H GLU A 106 25.781 6.225 14.482 1.00 0.00 H ATOM 1063 N HIS A 107 24.050 5.985 17.001 1.00 17.35 N ATOM 1064 CA HIS A 107 22.783 6.182 17.682 1.00 17.78 C ATOM 1065 C HIS A 107 21.606 5.739 16.806 1.00 18.37 C ATOM 1066 O HIS A 107 21.693 5.704 15.552 1.00 17.77 O ATOM 1067 CB HIS A 107 22.607 7.650 18.051 1.00 18.06 C ATOM 1068 CG HIS A 107 23.519 8.113 19.140 1.00 17.79 C ATOM 1069 ND1 HIS A 107 24.772 8.626 18.892 1.00 19.34 N ATOM 1070 CD2 HIS A 107 23.357 8.145 20.486 1.00 17.81 C ATOM 1071 CE1 HIS A 107 25.345 8.955 20.039 1.00 19.51 C ATOM 1072 NE2 HIS A 107 24.503 8.681 21.022 1.00 19.70 N ATOM 1073 H HIS A 107 24.528 6.803 16.572 1.00 0.00 H ATOM 1074 N SER A 108 20.503 5.404 17.468 1.00 18.68 N ATOM 1075 CA SER A 108 19.257 5.128 16.760 1.00 19.32 C ATOM 1076 C SER A 108 18.148 5.998 17.326 1.00 19.63 C ATOM 1077 O SER A 108 18.149 6.344 18.523 1.00 19.87 O ATOM 1078 CB SER A 108 18.894 3.627 16.776 1.00 20.14 C ATOM 1079 OG SER A 108 18.622 3.127 18.077 1.00 20.90 O ATOM 1080 HG SER A 108 17.859 3.622 18.467 1.00 0.00 H ATOM 1081 H SER A 108 20.528 5.338 18.506 1.00 0.00 H ATOM 1082 N LEU A 109 17.232 6.389 16.452 1.00 20.19 N ATOM 1083 CA LEU A 109 16.051 7.142 16.855 1.00 21.34 C ATOM 1084 C LEU A 109 14.849 6.234 16.701 1.00 21.76 C ATOM 1085 O LEU A 109 14.532 5.781 15.589 1.00 22.30 O ATOM 1086 CB LEU A 109 15.865 8.427 16.031 1.00 22.29 C ATOM 1087 CG LEU A 109 16.887 9.563 16.147 1.00 23.58 C ATOM 1088 CD1 LEU A 109 16.464 10.718 15.240 1.00 26.86 C ATOM 1089 CD2 LEU A 109 17.037 10.064 17.580 1.00 24.00 C ATOM 1090 H LEU A 109 17.360 6.151 15.448 1.00 0.00 H ATOM 1091 N ASP A 110 14.194 5.950 17.825 1.00 21.58 N ATOM 1092 CA ASP A 110 13.051 5.044 17.836 1.00 22.61 C ATOM 1093 C ASP A 110 13.326 3.708 17.139 1.00 22.40 C ATOM 1094 O ASP A 110 12.458 3.170 16.454 1.00 23.65 O ATOM 1095 CB ASP A 110 11.813 5.727 17.236 1.00 24.78 C ATOM 1096 CG ASP A 110 11.397 6.960 18.016 1.00 26.39 C ATOM 1097 OD1 ASP A 110 11.545 6.969 19.261 1.00 24.94 O ATOM 1098 OD2 ASP A 110 10.927 7.925 17.382 1.00 30.22 O ATOM 1099 H ASP A 110 14.505 6.385 18.717 1.00 0.00 H ATOM 1100 N GLY A 111 14.525 3.169 17.345 1.00 21.38 N ATOM 1101 CA GLY A 111 14.889 1.873 16.784 1.00 22.72 C ATOM 1102 C GLY A 111 15.306 1.884 15.332 1.00 23.49 C ATOM 1103 O GLY A 111 15.554 0.819 14.751 1.00 25.13 O ATOM 1104 H GLY A 111 15.220 3.685 17.921 1.00 0.00 H ATOM 1105 N GLU A 112 15.366 3.078 14.734 1.00 23.36 N ATOM 1106 CA GLU A 112 15.854 3.227 13.361 1.00 24.36 C ATOM 1107 C GLU A 112 17.280 3.727 13.352 1.00 22.89 C ATOM 1108 O GLU A 112 17.560 4.816 13.869 1.00 21.81 O ATOM 1109 CB GLU A 112 14.997 4.220 12.580 1.00 25.99 C ATOM 1110 CG GLU A 112 13.616 3.714 12.298 1.00 30.14 C ATOM 1111 CD GLU A 112 12.874 4.560 11.278 1.00 36.09 C ATOM 1112 OE1 GLU A 112 12.730 5.793 11.499 1.00 36.84 O ATOM 1113 OE2 GLU A 112 12.430 3.979 10.258 1.00 39.87 O ATOM 1114 H GLU A 112 15.058 3.923 15.257 1.00 0.00 H ATOM 1115 N HIS A 113 18.172 2.924 12.778 1.00 21.86 N ATOM 1116 CA HIS A 113 19.508 3.388 12.435 1.00 20.04 C ATOM 1117 C HIS A 113 19.479 4.090 11.083 1.00 19.15 C ATOM 1118 O HIS A 113 18.639 3.793 10.240 1.00 20.72 O ATOM 1119 CB HIS A 113 20.497 2.226 12.420 1.00 20.60 C ATOM 1120 CG HIS A 113 20.756 1.627 13.774 1.00 23.62 C ATOM 1121 ND1 HIS A 113 21.778 2.058 14.601 1.00 23.13 N ATOM 1122 CD2 HIS A 113 20.135 0.624 14.439 1.00 25.71 C ATOM 1123 CE1 HIS A 113 21.775 1.339 15.711 1.00 24.35 C ATOM 1124 NE2 HIS A 113 20.787 0.464 15.638 1.00 25.06 N ATOM 1125 H HIS A 113 17.908 1.940 12.569 1.00 0.00 H ATOM 1126 N PHE A 114 20.403 5.020 10.882 1.00 17.91 N ATOM 1127 CA PHE A 114 20.525 5.763 9.635 1.00 17.59 C ATOM 1128 C PHE A 114 21.743 5.274 8.881 1.00 17.27 C ATOM 1129 O PHE A 114 22.502 4.459 9.421 1.00 18.07 O ATOM 1130 CB PHE A 114 20.566 7.264 9.922 1.00 16.60 C ATOM 1131 CG PHE A 114 19.215 7.831 10.268 1.00 19.79 C ATOM 1132 CD1 PHE A 114 18.609 7.539 11.489 1.00 19.52 C ATOM 1133 CD2 PHE A 114 18.527 8.639 9.356 1.00 22.73 C ATOM 1134 CE1 PHE A 114 17.352 8.059 11.795 1.00 21.95 C ATOM 1135 CE2 PHE A 114 17.258 9.164 9.663 1.00 22.32 C ATOM 1136 CZ PHE A 114 16.673 8.867 10.873 1.00 22.96 C ATOM 1137 H PHE A 114 21.072 5.229 11.651 1.00 0.00 H ATOM 1138 N ALA A 115 21.924 5.725 7.636 1.00 16.50 N ATOM 1139 CA ALA A 115 22.979 5.184 6.753 1.00 16.87 C ATOM 1140 C ALA A 115 24.404 5.518 7.224 1.00 16.31 C ATOM 1141 O ALA A 115 25.346 4.777 6.929 1.00 17.27 O ATOM 1142 CB ALA A 115 22.776 5.658 5.324 1.00 17.41 C ATOM 1143 H ALA A 115 21.304 6.479 7.278 1.00 0.00 H ATOM 1144 N MET A 116 24.545 6.655 7.907 1.00 15.79 N ATOM 1145 CA MET A 116 25.810 7.119 8.497 1.00 15.23 C ATOM 1146 C MET A 116 25.483 7.980 9.698 1.00 14.65 C ATOM 1147 O MET A 116 24.321 8.398 9.886 1.00 14.62 O ATOM 1148 CB MET A 116 26.653 7.991 7.537 1.00 15.44 C ATOM 1149 CG MET A 116 26.719 7.576 6.089 1.00 17.03 C ATOM 1150 SD MET A 116 27.768 8.662 5.110 1.00 20.81 S ATOM 1151 CE MET A 116 29.434 8.209 5.583 1.00 21.74 C ATOM 1152 H MET A 116 23.704 7.254 8.031 1.00 0.00 H ATOM 1153 N GLU A 117 26.522 8.269 10.484 1.00 14.84 N ATOM 1154 CA GLU A 117 26.459 9.258 11.553 1.00 14.71 C ATOM 1155 C GLU A 117 27.783 10.044 11.559 1.00 15.05 C ATOM 1156 O GLU A 117 28.869 9.466 11.580 1.00 16.63 O ATOM 1157 CB GLU A 117 26.156 8.586 12.901 1.00 14.47 C ATOM 1158 CG GLU A 117 26.077 9.534 14.093 1.00 14.38 C ATOM 1159 CD GLU A 117 25.554 8.873 15.363 1.00 15.01 C ATOM 1160 OE1 GLU A 117 24.760 7.925 15.261 1.00 17.13 O ATOM 1161 OE2 GLU A 117 25.942 9.291 16.479 1.00 15.72 O ATOM 1162 H GLU A 117 27.418 7.765 10.327 1.00 0.00 H ATOM 1163 N MET A 118 27.666 11.362 11.489 1.00 14.59 N ATOM 1164 CA MET A 118 28.797 12.269 11.480 1.00 15.62 C ATOM 1165 C MET A 118 28.933 12.882 12.868 1.00 15.10 C ATOM 1166 O MET A 118 27.931 13.327 13.463 1.00 14.90 O ATOM 1167 CB MET A 118 28.555 13.366 10.436 1.00 16.71 C ATOM 1168 CG MET A 118 29.716 14.347 10.179 1.00 18.23 C ATOM 1169 SD MET A 118 29.196 15.532 8.905 1.00 25.22 S ATOM 1170 CE MET A 118 28.236 16.561 9.980 1.00 21.78 C ATOM 1171 H MET A 118 26.710 11.768 11.438 1.00 0.00 H ATOM 1172 N HIS A 119 30.162 12.866 13.385 1.00 14.92 N ATOM 1173 CA HIS A 119 30.458 13.408 14.713 1.00 14.80 C ATOM 1174 C HIS A 119 31.432 14.587 14.593 1.00 15.36 C ATOM 1175 O HIS A 119 32.480 14.470 13.959 1.00 16.41 O ATOM 1176 CB HIS A 119 31.058 12.331 15.622 1.00 15.51 C ATOM 1177 CG HIS A 119 30.102 11.232 15.991 1.00 15.49 C ATOM 1178 ND1 HIS A 119 30.522 9.952 16.300 1.00 17.67 N ATOM 1179 CD2 HIS A 119 28.752 11.219 16.091 1.00 14.47 C ATOM 1180 CE1 HIS A 119 29.468 9.200 16.575 1.00 13.90 C ATOM 1181 NE2 HIS A 119 28.385 9.947 16.458 1.00 14.17 N ATOM 1182 H HIS A 119 30.937 12.455 12.826 1.00 0.00 H ATOM 1183 N ILE A 120 31.069 15.729 15.168 1.00 14.95 N ATOM 1184 CA ILE A 120 31.990 16.866 15.272 1.00 15.95 C ATOM 1185 C ILE A 120 32.335 17.001 16.755 1.00 15.96 C ATOM 1186 O ILE A 120 31.466 17.323 17.588 1.00 15.15 O ATOM 1187 CB ILE A 120 31.382 18.204 14.733 1.00 16.48 C ATOM 1188 CG1 ILE A 120 30.645 18.015 13.393 1.00 17.13 C ATOM 1189 CG2 ILE A 120 32.482 19.299 14.595 1.00 16.49 C ATOM 1190 CD1 ILE A 120 29.980 19.315 12.857 1.00 14.50 C ATOM 1191 H ILE A 120 30.107 15.819 15.554 1.00 0.00 H ATOM 1192 N VAL A 121 33.601 16.736 17.068 1.00 16.98 N ATOM 1193 CA VAL A 121 34.098 16.637 18.443 1.00 17.13 C ATOM 1194 C VAL A 121 34.634 18.008 18.877 1.00 18.15 C ATOM 1195 O VAL A 121 35.483 18.583 18.199 1.00 18.72 O ATOM 1196 CB VAL A 121 35.237 15.558 18.526 1.00 18.03 C ATOM 1197 CG1 VAL A 121 35.768 15.383 19.955 1.00 18.74 C ATOM 1198 CG2 VAL A 121 34.751 14.209 17.974 1.00 17.86 C ATOM 1199 H VAL A 121 34.277 16.591 16.291 1.00 0.00 H ATOM 1200 N HIS A 122 34.128 18.529 19.994 1.00 17.60 N ATOM 1201 CA HIS A 122 34.590 19.824 20.502 1.00 18.71 C ATOM 1202 C HIS A 122 35.081 19.645 21.934 1.00 19.11 C ATOM 1203 O HIS A 122 34.587 18.760 22.644 1.00 18.59 O ATOM 1204 CB HIS A 122 33.454 20.856 20.536 1.00 17.82 C ATOM 1205 CG HIS A 122 32.751 21.065 19.228 1.00 19.12 C ATOM 1206 ND1 HIS A 122 31.885 20.137 18.681 1.00 18.44 N ATOM 1207 CD2 HIS A 122 32.744 22.126 18.389 1.00 18.54 C ATOM 1208 CE1 HIS A 122 31.400 20.612 17.548 1.00 18.23 C ATOM 1209 NE2 HIS A 122 31.904 21.817 17.351 1.00 18.69 N ATOM 1210 H HIS A 122 33.393 18.008 20.514 1.00 0.00 H ATOM 1211 N GLU A 123 35.994 20.516 22.369 1.00 20.31 N ATOM 1212 CA GLU A 123 36.510 20.509 23.756 1.00 21.36 C ATOM 1213 C GLU A 123 36.129 21.739 24.581 1.00 21.40 C ATOM 1214 O GLU A 123 36.163 22.872 24.086 1.00 21.04 O ATOM 1215 CB GLU A 123 38.034 20.336 23.782 1.00 24.22 C ATOM 1216 CG GLU A 123 38.493 18.876 23.817 1.00 27.54 C ATOM 1217 CD GLU A 123 39.995 18.706 23.608 1.00 34.39 C ATOM 1218 OE1 GLU A 123 40.792 19.529 24.124 1.00 38.81 O ATOM 1219 OE2 GLU A 123 40.385 17.724 22.933 1.00 37.05 O ATOM 1220 H GLU A 123 36.358 21.229 21.706 1.00 0.00 H ATOM 1221 N LYS A 124 35.801 21.509 25.853 1.00 20.94 N ATOM 1222 CA LYS A 124 35.331 22.574 26.741 1.00 21.85 C ATOM 1223 C LYS A 124 36.386 23.649 27.021 1.00 23.37 C ATOM 1224 O LYS A 124 37.563 23.346 27.226 1.00 23.83 O ATOM 1225 CB LYS A 124 34.832 21.983 28.067 1.00 22.49 C ATOM 1226 CG LYS A 124 33.831 22.853 28.822 1.00 22.57 C ATOM 1227 CD LYS A 124 33.426 22.147 30.123 1.00 24.36 C ATOM 1228 CE LYS A 124 32.515 23.015 30.979 1.00 26.59 C ATOM 1229 NZ LYS A 124 32.115 22.296 32.231 1.00 30.23 N ATOM 1230 HZ1 LYS A 124 31.608 21.423 31.981 1.00 0.00 H ATOM 1231 HZ2 LYS A 124 32.966 22.059 32.780 1.00 0.00 H ATOM 1232 HZ3 LYS A 124 31.494 22.908 32.798 1.00 0.00 H ATOM 1233 H LYS A 124 35.882 20.542 26.226 1.00 0.00 H ATOM 1234 N GLU A 125 35.950 24.907 26.991 1.00 24.15 N ATOM 1235 CA GLU A 125 36.728 25.994 27.585 1.00 27.22 C ATOM 1236 C GLU A 125 36.387 26.032 29.066 1.00 28.27 C ATOM 1237 O GLU A 125 35.342 26.545 29.477 1.00 28.46 O ATOM 1238 CB GLU A 125 36.438 27.334 26.912 1.00 27.51 C ATOM 1239 CG GLU A 125 36.843 27.357 25.453 1.00 28.83 C ATOM 1240 CD GLU A 125 36.634 28.700 24.777 1.00 31.64 C ATOM 1241 OE1 GLU A 125 36.707 28.734 23.527 1.00 32.83 O ATOM 1242 OE2 GLU A 125 36.395 29.713 25.472 1.00 33.45 O ATOM 1243 H GLU A 125 35.039 25.121 26.537 1.00 0.00 H ATOM 1244 N LYS A 126 37.265 25.448 29.863 1.00 30.37 N ATOM 1245 CA LYS A 126 37.055 25.379 31.303 1.00 32.74 C ATOM 1246 C LYS A 126 37.449 26.676 32.004 1.00 35.06 C ATOM 1247 O LYS A 126 38.167 27.496 31.443 1.00 35.07 O ATOM 1248 CB LYS A 126 37.829 24.197 31.894 1.00 34.19 C ATOM 1249 CG LYS A 126 37.327 22.829 31.404 1.00 34.23 C ATOM 1250 CD LYS A 126 38.037 21.672 32.130 1.00 37.86 C ATOM 1251 CE LYS A 126 39.475 21.531 31.681 1.00 39.53 C ATOM 1252 NZ LYS A 126 39.497 21.376 30.205 1.00 38.48 N ATOM 1253 HZ1 LYS A 126 38.957 20.528 29.939 1.00 0.00 H ATOM 1254 HZ2 LYS A 126 39.068 22.214 29.763 1.00 0.00 H ATOM 1255 HZ3 LYS A 126 40.481 21.278 29.883 1.00 0.00 H ATOM 1256 H LYS A 126 38.124 25.029 29.453 1.00 0.00 H ATOM 1257 N GLY A 126A 36.946 26.864 33.218 1.00 36.79 N ATOM 1258 CA GLY A 126A 37.391 27.950 34.072 1.00 41.01 C ATOM 1259 C GLY A 126A 38.205 27.352 35.204 1.00 44.40 C ATOM 1260 O GLY A 126A 38.536 26.165 35.165 1.00 44.30 O ATOM 1261 H GLY A 126A 36.212 26.215 33.567 1.00 0.00 H ATOM 1262 N THR A 127 38.562 28.168 36.190 1.00 47.87 N ATOM 1263 CA THR A 127 39.073 27.650 37.462 1.00 51.90 C ATOM 1264 C THR A 127 37.881 27.499 38.433 1.00 53.64 C ATOM 1265 O THR A 127 36.824 28.104 38.207 1.00 53.05 O ATOM 1266 CB THR A 127 40.151 28.594 38.099 1.00 54.76 C ATOM 1267 OG1 THR A 127 39.540 29.809 38.540 1.00 55.57 O ATOM 1268 CG2 THR A 127 41.282 28.923 37.126 1.00 54.19 C ATOM 1269 HG1 THR A 127 40.229 30.397 38.940 1.00 0.00 H ATOM 1270 H THR A 127 38.477 29.196 36.056 1.00 0.00 H ATOM 1271 N SER A 128 38.036 26.688 39.489 1.00 56.99 N ATOM 1272 CA SER A 128 37.125 26.733 40.668 1.00 59.71 C ATOM 1273 C SER A 128 37.713 26.160 41.970 1.00 63.65 C ATOM 1274 O SER A 128 38.512 25.219 41.954 1.00 64.57 O ATOM 1275 CB SER A 128 35.729 26.142 40.380 1.00 58.04 C ATOM 1276 OG SER A 128 35.793 24.778 40.007 1.00 58.30 O ATOM 1277 HG SER A 128 34.878 24.442 39.832 1.00 0.00 H ATOM 1278 H SER A 128 38.819 26.004 39.486 1.00 0.00 H TER 1279 SER A 128 ATOM 1280 N ASP A 136 38.193 16.045 32.151 1.00 47.57 N ATOM 1281 CA ASP A 136 38.002 16.094 33.605 1.00 49.83 C ATOM 1282 C ASP A 136 36.504 16.075 34.019 1.00 48.15 C ATOM 1283 O ASP A 136 36.077 15.140 34.708 1.00 50.41 O ATOM 1284 CB ASP A 136 38.782 17.269 34.232 1.00 51.58 C ATOM 1285 CG ASP A 136 38.778 17.238 35.754 1.00 56.32 C ATOM 1286 OD1 ASP A 136 37.713 17.488 36.359 1.00 57.87 O ATOM 1287 OD2 ASP A 136 39.845 16.970 36.356 1.00 61.98 O ATOM 1288 HN3 ASP A 136 37.732 16.869 31.714 1.00 0.00 H ATOM 1289 HN2 ASP A 136 37.771 15.171 31.776 1.00 0.00 H ATOM 1290 HN1 ASP A 136 39.210 16.060 31.936 1.00 0.00 H ATOM 1291 N PRO A 137 35.704 17.090 33.611 1.00 44.56 N ATOM 1292 CA PRO A 137 34.278 16.983 33.944 1.00 43.08 C ATOM 1293 C PRO A 137 33.509 16.003 33.040 1.00 40.22 C ATOM 1294 O PRO A 137 34.025 15.566 32.012 1.00 38.00 O ATOM 1295 CB PRO A 137 33.767 18.406 33.720 1.00 41.66 C ATOM 1296 CG PRO A 137 34.671 18.960 32.644 1.00 40.68 C ATOM 1297 CD PRO A 137 36.026 18.404 33.010 1.00 42.99 C ATOM 1298 N GLU A 138 32.278 15.680 33.438 1.00 39.51 N ATOM 1299 CA GLU A 138 31.373 14.839 32.648 1.00 37.16 C ATOM 1300 C GLU A 138 31.067 15.386 31.249 1.00 32.49 C ATOM 1301 O GLU A 138 30.581 14.651 30.383 1.00 30.66 O ATOM 1302 CB GLU A 138 30.050 14.659 33.387 1.00 38.59 C ATOM 1303 CG GLU A 138 30.061 13.617 34.450 1.00 44.67 C ATOM 1304 CD GLU A 138 28.715 13.494 35.172 1.00 49.22 C ATOM 1305 OE1 GLU A 138 27.724 14.135 34.743 1.00 49.00 O ATOM 1306 OE2 GLU A 138 28.651 12.755 36.174 1.00 52.44 O ATOM 1307 H GLU A 138 31.943 16.042 34.354 1.00 0.00 H ATOM 1308 N ASP A 139 31.327 16.677 31.044 1.00 30.23 N ATOM 1309 CA ASP A 139 31.001 17.355 29.784 1.00 26.74 C ATOM 1310 C ASP A 139 32.215 18.053 29.147 1.00 25.37 C ATOM 1311 O ASP A 139 32.055 19.045 28.409 1.00 23.65 O ATOM 1312 CB ASP A 139 29.882 18.373 30.028 1.00 26.86 C ATOM 1313 CG ASP A 139 30.254 19.426 31.079 1.00 28.47 C ATOM 1314 OD1 ASP A 139 31.390 19.405 31.613 1.00 28.49 O ATOM 1315 OD2 ASP A 139 29.395 20.288 31.370 1.00 28.30 O ATOM 1316 H ASP A 139 31.778 17.224 31.805 1.00 0.00 H ATOM 1317 N GLU A 140 33.412 17.551 29.457 1.00 25.43 N ATOM 1318 CA GLU A 140 34.669 18.031 28.862 1.00 25.57 C ATOM 1319 C GLU A 140 34.593 18.050 27.336 1.00 22.87 C ATOM 1320 O GLU A 140 35.064 18.991 26.684 1.00 22.29 O ATOM 1321 CB GLU A 140 35.851 17.155 29.325 1.00 27.96 C ATOM 1322 CG GLU A 140 37.144 17.206 28.459 1.00 29.66 C ATOM 1323 CD GLU A 140 37.821 18.577 28.438 1.00 34.40 C ATOM 1324 OE1 GLU A 140 38.542 18.875 27.449 1.00 35.46 O ATOM 1325 OE2 GLU A 140 37.639 19.358 29.403 1.00 37.14 O ATOM 1326 H GLU A 140 33.459 16.781 30.155 1.00 0.00 H ATOM 1327 N ILE A 141 33.975 17.021 26.770 1.00 21.88 N ATOM 1328 CA ILE A 141 33.836 16.927 25.317 1.00 19.77 C ATOM 1329 C ILE A 141 32.370 17.066 24.911 1.00 19.31 C ATOM 1330 O ILE A 141 31.488 16.444 25.511 1.00 19.22 O ATOM 1331 CB ILE A 141 34.425 15.588 24.801 1.00 20.29 C ATOM 1332 CG1 ILE A 141 35.912 15.525 25.121 1.00 20.43 C ATOM 1333 CG2 ILE A 141 34.143 15.393 23.298 1.00 18.49 C ATOM 1334 CD1 ILE A 141 36.541 14.171 24.875 1.00 23.60 C ATOM 1335 H ILE A 141 33.582 16.268 27.370 1.00 0.00 H ATOM 1336 N ALA A 142 32.115 17.901 23.899 1.00 18.11 N ATOM 1337 CA ALA A 142 30.809 17.957 23.275 1.00 17.01 C ATOM 1338 C ALA A 142 30.938 17.369 21.876 1.00 16.17 C ATOM 1339 O ALA A 142 31.696 17.873 21.060 1.00 15.97 O ATOM 1340 CB ALA A 142 30.280 19.377 23.203 1.00 17.30 C ATOM 1341 H ALA A 142 32.871 18.525 23.552 1.00 0.00 H ATOM 1342 N VAL A 143 30.199 16.296 21.613 1.00 15.57 N ATOM 1343 CA VAL A 143 30.134 15.733 20.264 1.00 15.55 C ATOM 1344 C VAL A 143 28.780 16.084 19.679 1.00 15.13 C ATOM 1345 O VAL A 143 27.749 15.872 20.311 1.00 16.21 O ATOM 1346 CB VAL A 143 30.301 14.185 20.233 1.00 15.37 C ATOM 1347 CG1 VAL A 143 30.186 13.669 18.787 1.00 13.25 C ATOM 1348 CG2 VAL A 143 31.629 13.755 20.843 1.00 17.29 C ATOM 1349 H VAL A 143 29.657 15.849 22.380 1.00 0.00 H ATOM 1350 N LEU A 144 28.799 16.672 18.494 1.00 15.80 N ATOM 1351 CA LEU A 144 27.577 16.950 17.753 1.00 16.01 C ATOM 1352 C LEU A 144 27.388 15.818 16.758 1.00 15.89 C ATOM 1353 O LEU A 144 28.273 15.562 15.920 1.00 14.96 O ATOM 1354 CB LEU A 144 27.671 18.282 17.024 1.00 16.69 C ATOM 1355 CG LEU A 144 27.842 19.581 17.829 1.00 18.65 C ATOM 1356 CD1 LEU A 144 27.598 20.779 16.912 1.00 16.92 C ATOM 1357 CD2 LEU A 144 26.920 19.642 19.048 1.00 14.69 C ATOM 1358 H LEU A 144 29.713 16.944 18.080 1.00 0.00 H ATOM 1359 N ALA A 145 26.235 15.151 16.856 1.00 16.26 N ATOM 1360 CA ALA A 145 25.918 13.990 16.018 1.00 15.67 C ATOM 1361 C ALA A 145 24.806 14.301 15.014 1.00 16.13 C ATOM 1362 O ALA A 145 23.708 14.729 15.377 1.00 16.78 O ATOM 1363 CB ALA A 145 25.532 12.789 16.887 1.00 16.05 C ATOM 1364 H ALA A 145 25.533 15.468 17.555 1.00 0.00 H ATOM 1365 N PHE A 146 25.102 14.064 13.745 1.00 16.35 N ATOM 1366 CA PHE A 146 24.129 14.254 12.669 1.00 16.94 C ATOM 1367 C PHE A 146 23.880 12.912 11.996 1.00 16.70 C ATOM 1368 O PHE A 146 24.830 12.190 11.663 1.00 16.12 O ATOM 1369 CB PHE A 146 24.646 15.276 11.656 1.00 17.06 C ATOM 1370 CG PHE A 146 24.938 16.630 12.251 1.00 17.36 C ATOM 1371 CD1 PHE A 146 26.172 16.899 12.843 1.00 17.83 C ATOM 1372 CD2 PHE A 146 23.991 17.631 12.213 1.00 17.95 C ATOM 1373 CE1 PHE A 146 26.436 18.155 13.390 1.00 17.36 C ATOM 1374 CE2 PHE A 146 24.249 18.887 12.749 1.00 20.06 C ATOM 1375 CZ PHE A 146 25.479 19.147 13.336 1.00 19.06 C ATOM 1376 H PHE A 146 26.058 13.732 13.505 1.00 0.00 H ATOM 1377 N LEU A 147 22.604 12.582 11.800 1.00 17.66 N ATOM 1378 CA LEU A 147 22.221 11.350 11.109 1.00 17.64 C ATOM 1379 C LEU A 147 22.139 11.602 9.613 1.00 18.35 C ATOM 1380 O LEU A 147 21.815 12.700 9.171 1.00 19.16 O ATOM 1381 CB LEU A 147 20.889 10.819 11.645 1.00 18.72 C ATOM 1382 CG LEU A 147 20.986 10.490 13.143 1.00 19.93 C ATOM 1383 CD1 LEU A 147 19.627 10.438 13.798 1.00 21.89 C ATOM 1384 CD2 LEU A 147 21.732 9.187 13.349 1.00 19.31 C ATOM 1385 H LEU A 147 21.859 13.218 12.148 1.00 0.00 H ATOM 1386 N VAL A 148 22.488 10.578 8.843 1.00 17.86 N ATOM 1387 CA VAL A 148 22.564 10.681 7.399 1.00 17.80 C ATOM 1388 C VAL A 148 21.608 9.671 6.802 1.00 18.55 C ATOM 1389 O VAL A 148 21.691 8.462 7.081 1.00 17.79 O ATOM 1390 CB VAL A 148 23.998 10.439 6.901 1.00 17.61 C ATOM 1391 CG1 VAL A 148 24.078 10.614 5.385 1.00 19.98 C ATOM 1392 CG2 VAL A 148 24.954 11.392 7.598 1.00 16.49 C ATOM 1393 H VAL A 148 22.715 9.668 9.293 1.00 0.00 H ATOM 1394 N GLU A 149 20.687 10.191 6.008 1.00 18.61 N ATOM 1395 CA GLU A 149 19.686 9.401 5.346 1.00 20.48 C ATOM 1396 C GLU A 149 20.064 9.240 3.873 1.00 21.18 C ATOM 1397 O GLU A 149 20.429 10.214 3.191 1.00 21.90 O ATOM 1398 CB GLU A 149 18.332 10.090 5.462 1.00 22.40 C ATOM 1399 CG GLU A 149 17.171 9.216 5.032 1.00 27.31 C ATOM 1400 CD GLU A 149 15.820 9.883 5.219 1.00 32.99 C ATOM 1401 OE1 GLU A 149 15.751 10.934 5.885 1.00 34.65 O ATOM 1402 OE2 GLU A 149 14.819 9.350 4.686 1.00 37.83 O ATOM 1403 H GLU A 149 20.687 11.220 5.856 1.00 0.00 H ATOM 1404 N ALA A 150 19.974 8.009 3.389 1.00 20.35 N ATOM 1405 CA ALA A 150 20.346 7.711 2.011 1.00 19.77 C ATOM 1406 C ALA A 150 19.172 7.993 1.104 1.00 20.23 C ATOM 1407 O ALA A 150 18.029 7.668 1.453 1.00 21.39 O ATOM 1408 CB ALA A 150 20.781 6.262 1.879 1.00 19.53 C ATOM 1409 H ALA A 150 19.632 7.242 4.003 1.00 0.00 H ATOM 1410 N GLY A 151 19.448 8.595 -0.049 1.00 19.74 N ATOM 1411 CA GLY A 151 18.423 8.768 -1.077 1.00 21.30 C ATOM 1412 C GLY A 151 19.016 9.029 -2.447 1.00 21.80 C ATOM 1413 O GLY A 151 20.105 8.540 -2.767 1.00 20.65 O ATOM 1414 H GLY A 151 20.410 8.949 -0.223 1.00 0.00 H ATOM 1415 N THR A 151A 18.295 9.795 -3.265 1.00 23.04 N ATOM 1416 CA THR A 151A 18.756 10.098 -4.620 1.00 23.65 C ATOM 1417 C THR A 151A 19.195 11.562 -4.784 1.00 23.89 C ATOM 1418 O THR A 151A 19.519 11.999 -5.884 1.00 24.87 O ATOM 1419 CB THR A 151A 17.694 9.761 -5.686 1.00 25.16 C ATOM 1420 OG1 THR A 151A 16.548 10.603 -5.507 1.00 26.13 O ATOM 1421 CG2 THR A 151A 17.287 8.281 -5.616 1.00 25.12 C ATOM 1422 HG1 THR A 151A 15.869 10.384 -6.193 1.00 0.00 H ATOM 1423 H THR A 151A 17.389 10.184 -2.934 1.00 0.00 H ATOM 1424 N GLN A 152 19.195 12.313 -3.695 1.00 23.79 N ATOM 1425 CA GLN A 152 19.603 13.706 -3.747 1.00 25.07 C ATOM 1426 C GLN A 152 21.125 13.832 -3.633 1.00 24.00 C ATOM 1427 O GLN A 152 21.705 13.500 -2.597 1.00 23.12 O ATOM 1428 CB GLN A 152 18.917 14.493 -2.631 1.00 25.50 C ATOM 1429 CG GLN A 152 19.157 15.994 -2.691 1.00 29.00 C ATOM 1430 CD GLN A 152 18.303 16.753 -1.696 1.00 32.40 C ATOM 1431 OE1 GLN A 152 17.241 17.270 -2.045 1.00 37.64 O ATOM 1432 NE2 GLN A 152 18.755 16.825 -0.460 1.00 31.46 N ATOM 1433 HE22 GLN A 152 19.658 16.373 -0.209 1.00 0.00 H ATOM 1434 HE21 GLN A 152 18.209 17.334 0.265 1.00 0.00 H ATOM 1435 H GLN A 152 18.898 11.900 -2.788 1.00 0.00 H ATOM 1436 N VAL A 153 21.764 14.298 -4.706 1.00 24.33 N ATOM 1437 CA VAL A 153 23.196 14.564 -4.678 1.00 23.42 C ATOM 1438 C VAL A 153 23.438 15.739 -3.752 1.00 23.35 C ATOM 1439 O VAL A 153 22.963 16.841 -4.015 1.00 25.19 O ATOM 1440 CB VAL A 153 23.780 14.929 -6.065 1.00 24.74 C ATOM 1441 CG1 VAL A 153 25.279 15.182 -5.930 1.00 23.54 C ATOM 1442 CG2 VAL A 153 23.516 13.816 -7.091 1.00 24.69 C ATOM 1443 H VAL A 153 21.230 14.475 -5.580 1.00 0.00 H ATOM 1444 N ASN A 154 24.181 15.497 -2.681 1.00 21.48 N ATOM 1445 CA ASN A 154 24.543 16.539 -1.737 1.00 21.42 C ATOM 1446 C ASN A 154 25.846 17.141 -2.231 1.00 21.26 C ATOM 1447 O ASN A 154 26.911 16.554 -2.045 1.00 19.33 O ATOM 1448 CB ASN A 154 24.740 15.937 -0.340 1.00 19.66 C ATOM 1449 CG ASN A 154 24.929 16.994 0.756 1.00 21.79 C ATOM 1450 OD1 ASN A 154 25.730 17.936 0.634 1.00 23.20 O ATOM 1451 ND2 ASN A 154 24.199 16.825 1.842 1.00 19.25 N ATOM 1452 HD22 ASN A 154 23.539 16.023 1.906 1.00 0.00 H ATOM 1453 HD21 ASN A 154 24.283 17.493 2.634 1.00 0.00 H ATOM 1454 H ASN A 154 24.516 14.527 -2.511 1.00 0.00 H ATOM 1455 N GLU A 155 25.748 18.305 -2.865 1.00 23.13 N ATOM 1456 CA GLU A 155 26.914 19.016 -3.410 1.00 24.48 C ATOM 1457 C GLU A 155 27.940 19.410 -2.350 1.00 23.80 C ATOM 1458 O GLU A 155 29.146 19.450 -2.625 1.00 23.87 O ATOM 1459 CB GLU A 155 26.472 20.269 -4.169 1.00 27.01 C ATOM 1460 CG GLU A 155 25.520 20.007 -5.327 1.00 31.02 C ATOM 1461 CD GLU A 155 26.130 19.144 -6.438 1.00 35.69 C ATOM 1462 OE1 GLU A 155 27.353 18.873 -6.408 1.00 35.74 O ATOM 1463 OE2 GLU A 155 25.372 18.738 -7.355 1.00 39.22 O ATOM 1464 H GLU A 155 24.806 18.731 -2.981 1.00 0.00 H ATOM 1465 N GLY A 156 27.457 19.698 -1.144 1.00 23.44 N ATOM 1466 CA GLY A 156 28.310 20.114 -0.032 1.00 22.66 C ATOM 1467 C GLY A 156 29.290 19.045 0.398 1.00 21.56 C ATOM 1468 O GLY A 156 30.394 19.353 0.847 1.00 21.06 O ATOM 1469 H GLY A 156 26.432 19.624 -0.986 1.00 0.00 H ATOM 1470 N PHE A 157 28.885 17.779 0.273 1.00 20.74 N ATOM 1471 CA PHE A 157 29.770 16.655 0.572 1.00 19.41 C ATOM 1472 C PHE A 157 30.788 16.298 -0.486 1.00 19.64 C ATOM 1473 O PHE A 157 31.679 15.503 -0.228 1.00 19.90 O ATOM 1474 CB PHE A 157 28.967 15.392 0.859 1.00 18.56 C ATOM 1475 CG PHE A 157 28.689 15.196 2.290 1.00 16.47 C ATOM 1476 CD1 PHE A 157 27.758 15.988 2.931 1.00 18.37 C ATOM 1477 CD2 PHE A 157 29.361 14.228 3.007 1.00 17.33 C ATOM 1478 CE1 PHE A 157 27.499 15.813 4.265 1.00 17.32 C ATOM 1479 CE2 PHE A 157 29.105 14.048 4.345 1.00 16.43 C ATOM 1480 CZ PHE A 157 28.181 14.840 4.970 1.00 16.74 C ATOM 1481 H PHE A 157 27.914 17.588 -0.046 1.00 0.00 H ATOM 1482 N GLN A 158 30.652 16.838 -1.680 1.00 20.65 N ATOM 1483 CA GLN A 158 31.566 16.470 -2.751 1.00 21.92 C ATOM 1484 C GLN A 158 33.089 16.696 -2.490 1.00 22.52 C ATOM 1485 O GLN A 158 33.904 15.824 -2.813 1.00 22.21 O ATOM 1486 CB GLN A 158 31.077 17.012 -4.108 1.00 23.70 C ATOM 1487 CG GLN A 158 29.920 16.149 -4.672 1.00 24.30 C ATOM 1488 CD GLN A 158 30.318 14.674 -4.818 1.00 27.16 C ATOM 1489 OE1 GLN A 158 29.830 13.803 -4.095 1.00 27.70 O ATOM 1490 NE2 GLN A 158 31.241 14.399 -5.740 1.00 31.37 N ATOM 1491 HE22 GLN A 158 31.629 15.162 -6.331 1.00 0.00 H ATOM 1492 HE21 GLN A 158 31.573 13.422 -5.868 1.00 0.00 H ATOM 1493 H GLN A 158 29.893 17.526 -1.857 1.00 0.00 H ATOM 1494 N PRO A 159 33.485 17.857 -1.914 1.00 23.03 N ATOM 1495 CA PRO A 159 34.918 17.880 -1.587 1.00 23.23 C ATOM 1496 C PRO A 159 35.388 16.694 -0.718 1.00 22.00 C ATOM 1497 O PRO A 159 36.429 16.091 -1.011 1.00 21.95 O ATOM 1498 CB PRO A 159 35.095 19.238 -0.892 1.00 24.52 C ATOM 1499 CG PRO A 159 34.100 20.125 -1.614 1.00 24.43 C ATOM 1500 CD PRO A 159 32.904 19.218 -1.938 1.00 24.21 C ATOM 1501 N LEU A 160 34.624 16.329 0.303 1.00 20.75 N ATOM 1502 CA LEU A 160 35.024 15.216 1.149 1.00 19.87 C ATOM 1503 C LEU A 160 34.985 13.878 0.410 1.00 20.18 C ATOM 1504 O LEU A 160 35.956 13.108 0.470 1.00 20.13 O ATOM 1505 CB LEU A 160 34.207 15.174 2.437 1.00 19.40 C ATOM 1506 CG LEU A 160 34.361 13.963 3.368 1.00 18.17 C ATOM 1507 CD1 LEU A 160 35.735 13.886 4.022 1.00 18.05 C ATOM 1508 CD2 LEU A 160 33.263 14.001 4.435 1.00 18.62 C ATOM 1509 H LEU A 160 33.739 16.839 0.498 1.00 0.00 H ATOM 1510 N VAL A 161 33.884 13.599 -0.294 1.00 20.36 N ATOM 1511 CA VAL A 161 33.779 12.373 -1.081 1.00 20.47 C ATOM 1512 C VAL A 161 34.949 12.206 -2.099 1.00 21.70 C ATOM 1513 O VAL A 161 35.545 11.128 -2.188 1.00 21.40 O ATOM 1514 CB VAL A 161 32.388 12.253 -1.752 1.00 21.20 C ATOM 1515 CG1 VAL A 161 32.323 11.067 -2.691 1.00 21.00 C ATOM 1516 CG2 VAL A 161 31.303 12.130 -0.691 1.00 20.16 C ATOM 1517 H VAL A 161 33.087 14.267 -0.281 1.00 0.00 H ATOM 1518 N GLU A 162 35.291 13.266 -2.832 1.00 22.18 N ATOM 1519 CA GLU A 162 36.407 13.208 -3.782 1.00 23.91 C ATOM 1520 C GLU A 162 37.783 12.952 -3.119 1.00 24.09 C ATOM 1521 O GLU A 162 38.619 12.223 -3.674 1.00 25.29 O ATOM 1522 CB GLU A 162 36.430 14.452 -4.692 1.00 25.41 C ATOM 1523 CG GLU A 162 35.194 14.548 -5.588 1.00 27.81 C ATOM 1524 CD GLU A 162 35.047 15.892 -6.296 1.00 34.07 C ATOM 1525 OE1 GLU A 162 34.017 16.109 -6.976 1.00 33.75 O ATOM 1526 OE2 GLU A 162 35.960 16.737 -6.178 1.00 37.74 O ATOM 1527 H GLU A 162 34.756 14.152 -2.728 1.00 0.00 H ATOM 1528 N ALA A 163 37.982 13.511 -1.926 1.00 22.72 N ATOM 1529 CA ALA A 163 39.196 13.314 -1.137 1.00 22.79 C ATOM 1530 C ALA A 163 39.451 11.852 -0.759 1.00 22.18 C ATOM 1531 O ALA A 163 40.608 11.433 -0.609 1.00 22.25 O ATOM 1532 CB ALA A 163 39.145 14.185 0.133 1.00 22.59 C ATOM 1533 H ALA A 163 37.234 14.119 -1.536 1.00 0.00 H ATOM 1534 N LEU A 164 38.370 11.086 -0.600 1.00 20.95 N ATOM 1535 CA LEU A 164 38.459 9.699 -0.112 1.00 20.56 C ATOM 1536 C LEU A 164 39.372 8.780 -0.931 1.00 21.28 C ATOM 1537 O LEU A 164 40.022 7.920 -0.357 1.00 21.17 O ATOM 1538 CB LEU A 164 37.067 9.065 0.018 1.00 19.80 C ATOM 1539 CG LEU A 164 36.040 9.697 0.961 1.00 18.68 C ATOM 1540 CD1 LEU A 164 34.780 8.856 0.983 1.00 17.71 C ATOM 1541 CD2 LEU A 164 36.598 9.866 2.370 1.00 17.22 C ATOM 1542 H LEU A 164 37.435 11.481 -0.828 1.00 0.00 H ATOM 1543 N SER A 165 39.399 8.958 -2.255 1.00 22.39 N ATOM 1544 CA SER A 165 40.267 8.185 -3.164 1.00 23.97 C ATOM 1545 C SER A 165 41.738 8.308 -2.812 1.00 23.90 C ATOM 1546 O SER A 165 42.563 7.486 -3.217 1.00 24.73 O ATOM 1547 CB SER A 165 40.130 8.689 -4.605 1.00 25.57 C ATOM 1548 OG SER A 165 38.890 8.338 -5.174 1.00 28.57 O ATOM 1549 HG SER A 165 38.158 8.734 -4.638 1.00 0.00 H ATOM 1550 H SER A 165 38.775 9.680 -2.667 1.00 0.00 H ATOM 1551 N ASN A 166 42.066 9.373 -2.095 1.00 23.20 N ATOM 1552 CA ASN A 166 43.450 9.740 -1.888 1.00 23.30 C ATOM 1553 C ASN A 166 43.960 9.227 -0.553 1.00 22.06 C ATOM 1554 O ASN A 166 45.167 9.252 -0.287 1.00 22.73 O ATOM 1555 CB ASN A 166 43.598 11.263 -2.009 1.00 24.16 C ATOM 1556 CG ASN A 166 43.351 11.770 -3.439 1.00 26.79 C ATOM 1557 OD1 ASN A 166 43.507 11.027 -4.419 1.00 26.43 O ATOM 1558 ND2 ASN A 166 42.979 13.047 -3.559 1.00 29.79 N ATOM 1559 HD22 ASN A 166 42.860 13.636 -2.710 1.00 0.00 H ATOM 1560 HD21 ASN A 166 42.809 13.453 -4.501 1.00 0.00 H ATOM 1561 H ASN A 166 41.315 9.956 -1.673 1.00 0.00 H ATOM 1562 N ILE A 167 43.037 8.747 0.282 1.00 20.31 N ATOM 1563 CA ILE A 167 43.409 8.221 1.604 1.00 19.58 C ATOM 1564 C ILE A 167 42.903 6.791 1.863 1.00 18.71 C ATOM 1565 O ILE A 167 42.302 6.525 2.912 1.00 16.55 O ATOM 1566 CB ILE A 167 42.990 9.180 2.753 1.00 19.07 C ATOM 1567 CG1 ILE A 167 41.486 9.487 2.697 1.00 18.73 C ATOM 1568 CG2 ILE A 167 43.844 10.454 2.700 1.00 18.23 C ATOM 1569 CD1 ILE A 167 40.975 10.257 3.914 1.00 18.70 C ATOM 1570 H ILE A 167 42.038 8.745 -0.007 1.00 0.00 H ATOM 1571 N PRO A 168 43.194 5.855 0.928 1.00 19.39 N ATOM 1572 CA PRO A 168 42.603 4.522 1.080 1.00 19.32 C ATOM 1573 C PRO A 168 43.124 3.755 2.302 1.00 20.18 C ATOM 1574 O PRO A 168 42.353 3.024 2.920 1.00 19.64 O ATOM 1575 CB PRO A 168 42.966 3.818 -0.234 1.00 20.67 C ATOM 1576 CG PRO A 168 44.273 4.498 -0.668 1.00 20.98 C ATOM 1577 CD PRO A 168 44.074 5.940 -0.266 1.00 20.10 C ATOM 1578 N LYS A 169 44.387 3.972 2.680 1.00 20.76 N ATOM 1579 CA LYS A 169 45.030 3.185 3.728 1.00 22.23 C ATOM 1580 C LYS A 169 45.218 4.023 4.992 1.00 22.32 C ATOM 1581 O LYS A 169 45.349 5.241 4.903 1.00 22.23 O ATOM 1582 CB LYS A 169 46.402 2.683 3.251 1.00 23.92 C ATOM 1583 CG LYS A 169 46.408 1.859 1.950 1.00 25.39 C ATOM 1584 CD LYS A 169 47.850 1.523 1.565 1.00 29.47 C ATOM 1585 CE LYS A 169 48.004 1.257 0.081 1.00 33.21 C ATOM 1586 NZ LYS A 169 49.440 0.936 -0.238 1.00 37.98 N ATOM 1587 HZ1 LYS A 169 50.042 1.741 0.030 1.00 0.00 H ATOM 1588 HZ2 LYS A 169 49.731 0.091 0.294 1.00 0.00 H ATOM 1589 HZ3 LYS A 169 49.535 0.755 -1.258 1.00 0.00 H ATOM 1590 H LYS A 169 44.930 4.726 2.212 1.00 0.00 H ATOM 1591 N PRO A 170 45.239 3.381 6.171 1.00 22.61 N ATOM 1592 CA PRO A 170 45.484 4.142 7.403 1.00 22.99 C ATOM 1593 C PRO A 170 46.802 4.926 7.405 1.00 23.87 C ATOM 1594 O PRO A 170 47.778 4.547 6.738 1.00 23.72 O ATOM 1595 CB PRO A 170 45.472 3.071 8.513 1.00 23.83 C ATOM 1596 CG PRO A 170 45.392 1.751 7.820 1.00 24.45 C ATOM 1597 CD PRO A 170 44.877 1.980 6.440 1.00 23.29 C ATOM 1598 N GLU A 171 46.789 6.022 8.161 1.00 24.33 N ATOM 1599 CA GLU A 171 47.887 6.964 8.270 1.00 26.03 C ATOM 1600 C GLU A 171 48.183 7.708 6.958 1.00 25.77 C ATOM 1601 O GLU A 171 49.264 8.265 6.790 1.00 27.26 O ATOM 1602 CB GLU A 171 49.146 6.285 8.837 1.00 28.44 C ATOM 1603 CG GLU A 171 48.890 5.547 10.160 1.00 32.23 C ATOM 1604 CD GLU A 171 50.163 5.132 10.842 1.00 39.41 C ATOM 1605 OE1 GLU A 171 51.026 4.521 10.166 1.00 44.61 O ATOM 1606 OE2 GLU A 171 50.304 5.404 12.057 1.00 42.23 O ATOM 1607 H GLU A 171 45.930 6.217 8.713 1.00 0.00 H ATOM 1608 N MET A 172 47.232 7.716 6.035 1.00 24.17 N ATOM 1609 CA MET A 172 47.336 8.583 4.861 1.00 24.51 C ATOM 1610 C MET A 172 46.526 9.872 5.080 1.00 23.68 C ATOM 1611 O MET A 172 45.450 9.833 5.677 1.00 22.60 O ATOM 1612 CB MET A 172 46.883 7.852 3.590 1.00 23.82 C ATOM 1613 CG MET A 172 47.760 6.677 3.216 1.00 25.76 C ATOM 1614 SD MET A 172 47.216 5.994 1.637 1.00 26.95 S ATOM 1615 CE MET A 172 47.994 7.147 0.507 1.00 28.52 C ATOM 1616 H MET A 172 46.402 7.099 6.146 1.00 0.00 H ATOM 1617 N SER A 173 47.070 10.999 4.610 1.00 24.32 N ATOM 1618 CA SER A 173 46.466 12.323 4.765 1.00 24.75 C ATOM 1619 C SER A 173 46.365 12.992 3.413 1.00 25.29 C ATOM 1620 O SER A 173 47.277 12.857 2.594 1.00 26.06 O ATOM 1621 CB SER A 173 47.337 13.227 5.642 1.00 25.70 C ATOM 1622 OG SER A 173 47.373 12.754 6.961 1.00 28.23 O ATOM 1623 HG SER A 173 47.940 13.352 7.509 1.00 0.00 H ATOM 1624 H SER A 173 47.976 10.931 4.104 1.00 0.00 H ATOM 1625 N THR A 174 45.284 13.742 3.199 1.00 24.86 N ATOM 1626 CA THR A 174 45.123 14.552 1.987 1.00 25.77 C ATOM 1627 C THR A 174 44.476 15.906 2.308 1.00 26.14 C ATOM 1628 O THR A 174 43.995 16.116 3.426 1.00 25.06 O ATOM 1629 CB THR A 174 44.308 13.782 0.896 1.00 25.20 C ATOM 1630 OG1 THR A 174 44.406 14.479 -0.348 1.00 25.90 O ATOM 1631 CG2 THR A 174 42.846 13.632 1.291 1.00 24.73 C ATOM 1632 HG1 THR A 174 43.890 13.992 -1.039 1.00 0.00 H ATOM 1633 H THR A 174 44.530 13.753 3.915 1.00 0.00 H ATOM 1634 N THR A 175 44.464 16.820 1.336 1.00 27.06 N ATOM 1635 CA THR A 175 43.883 18.156 1.537 1.00 28.02 C ATOM 1636 C THR A 175 42.629 18.295 0.687 1.00 27.66 C ATOM 1637 O THR A 175 42.688 18.154 -0.534 1.00 28.84 O ATOM 1638 CB THR A 175 44.910 19.269 1.201 1.00 29.75 C ATOM 1639 OG1 THR A 175 45.956 19.264 2.179 1.00 31.47 O ATOM 1640 CG2 THR A 175 44.269 20.641 1.188 1.00 31.28 C ATOM 1641 HG1 THR A 175 46.611 19.975 1.964 1.00 0.00 H ATOM 1642 H THR A 175 44.876 16.581 0.412 1.00 0.00 H ATOM 1643 N MET A 176 41.490 18.544 1.328 1.00 26.89 N ATOM 1644 CA MET A 176 40.220 18.715 0.598 1.00 26.71 C ATOM 1645 C MET A 176 40.164 20.025 -0.174 1.00 27.92 C ATOM 1646 O MET A 176 40.761 21.017 0.233 1.00 29.68 O ATOM 1647 CB MET A 176 39.025 18.678 1.557 1.00 25.67 C ATOM 1648 CG MET A 176 38.667 17.317 2.109 1.00 23.89 C ATOM 1649 SD MET A 176 37.689 17.516 3.618 1.00 25.72 S ATOM 1650 CE MET A 176 36.250 18.445 3.053 1.00 25.93 C ATOM 1651 H MET A 176 41.495 18.620 2.365 1.00 0.00 H ATOM 1652 N ALA A 177 39.415 20.025 -1.274 1.00 28.21 N ATOM 1653 CA ALA A 177 39.083 21.253 -1.990 1.00 29.79 C ATOM 1654 C ALA A 177 38.288 22.183 -1.063 1.00 30.00 C ATOM 1655 O ALA A 177 37.640 21.724 -0.112 1.00 28.35 O ATOM 1656 CB ALA A 177 38.278 20.935 -3.251 1.00 30.02 C ATOM 1657 H ALA A 177 39.054 19.119 -1.636 1.00 0.00 H ATOM 1658 N GLU A 178 38.351 23.478 -1.347 1.00 31.77 N ATOM 1659 CA GLU A 178 37.686 24.518 -0.556 1.00 33.22 C ATOM 1660 C GLU A 178 36.257 24.120 -0.136 1.00 31.40 C ATOM 1661 O GLU A 178 35.451 23.717 -0.973 1.00 30.92 O ATOM 1662 CB GLU A 178 37.648 25.802 -1.380 1.00 36.14 C ATOM 1663 CG GLU A 178 37.637 27.080 -0.586 1.00 40.33 C ATOM 1664 CD GLU A 178 39.024 27.634 -0.338 1.00 45.08 C ATOM 1665 OE1 GLU A 178 39.683 27.192 0.620 1.00 45.39 O ATOM 1666 OE2 GLU A 178 39.448 28.534 -1.092 1.00 48.56 O ATOM 1667 H GLU A 178 38.903 23.772 -2.178 1.00 0.00 H ATOM 1668 N SER A 179 35.960 24.201 1.162 1.00 30.33 N ATOM 1669 CA SER A 179 34.634 23.853 1.675 1.00 29.28 C ATOM 1670 C SER A 179 34.434 24.350 3.102 1.00 28.72 C ATOM 1671 O SER A 179 35.406 24.634 3.817 1.00 28.99 O ATOM 1672 CB SER A 179 34.419 22.334 1.616 1.00 28.76 C ATOM 1673 OG SER A 179 35.277 21.680 2.536 1.00 28.62 O ATOM 1674 HG SER A 179 35.128 20.703 2.487 1.00 0.00 H ATOM 1675 H SER A 179 36.692 24.521 1.829 1.00 0.00 H ATOM 1676 N SER A 180 33.173 24.457 3.514 1.00 27.79 N ATOM 1677 CA SER A 180 32.844 24.910 4.865 1.00 27.40 C ATOM 1678 C SER A 180 32.187 23.785 5.643 1.00 25.33 C ATOM 1679 O SER A 180 31.711 22.808 5.054 1.00 25.05 O ATOM 1680 CB SER A 180 31.891 26.096 4.814 1.00 28.41 C ATOM 1681 OG SER A 180 30.609 25.645 4.418 1.00 29.69 O ATOM 1682 HG SER A 180 29.986 26.414 4.384 1.00 0.00 H ATOM 1683 H SER A 180 32.403 24.213 2.859 1.00 0.00 H ATOM 1684 N LEU A 181 32.142 23.923 6.963 1.00 24.35 N ATOM 1685 CA LEU A 181 31.446 22.932 7.772 1.00 23.23 C ATOM 1686 C LEU A 181 29.945 22.914 7.480 1.00 23.67 C ATOM 1687 O LEU A 181 29.349 21.838 7.416 1.00 22.99 O ATOM 1688 CB LEU A 181 31.727 23.119 9.255 1.00 22.35 C ATOM 1689 CG LEU A 181 33.217 23.034 9.627 1.00 23.47 C ATOM 1690 CD1 LEU A 181 33.412 23.339 11.112 1.00 22.87 C ATOM 1691 CD2 LEU A 181 33.854 21.680 9.261 1.00 22.66 C ATOM 1692 H LEU A 181 32.603 24.737 7.418 1.00 0.00 H ATOM 1693 N LEU A 182 29.365 24.096 7.268 1.00 25.28 N ATOM 1694 CA LEU A 182 27.941 24.235 6.932 1.00 26.89 C ATOM 1695 C LEU A 182 27.542 23.508 5.653 1.00 27.47 C ATOM 1696 O LEU A 182 26.398 23.047 5.543 1.00 28.36 O ATOM 1697 CB LEU A 182 27.534 25.709 6.856 1.00 28.72 C ATOM 1698 CG LEU A 182 26.732 26.331 8.021 1.00 30.15 C ATOM 1699 CD1 LEU A 182 27.007 25.709 9.384 1.00 28.34 C ATOM 1700 CD2 LEU A 182 26.918 27.848 8.058 1.00 32.11 C ATOM 1701 H LEU A 182 29.945 24.956 7.344 1.00 0.00 H ATOM 1702 N ASP A 183 28.477 23.401 4.702 1.00 27.69 N ATOM 1703 CA ASP A 183 28.289 22.613 3.474 1.00 28.47 C ATOM 1704 C ASP A 183 27.903 21.165 3.799 1.00 27.68 C ATOM 1705 O ASP A 183 27.215 20.498 3.022 1.00 28.40 O ATOM 1706 CB ASP A 183 29.579 22.572 2.632 1.00 28.76 C ATOM 1707 CG ASP A 183 29.872 23.882 1.892 1.00 30.52 C ATOM 1708 OD1 ASP A 183 28.962 24.713 1.726 1.00 33.08 O ATOM 1709 OD2 ASP A 183 31.033 24.067 1.451 1.00 30.72 O ATOM 1710 H ASP A 183 29.380 23.899 4.837 1.00 0.00 H ATOM 1711 N LEU A 184 28.377 20.691 4.943 1.00 26.34 N ATOM 1712 CA LEU A 184 28.191 19.303 5.364 1.00 26.29 C ATOM 1713 C LEU A 184 26.932 19.071 6.226 1.00 26.30 C ATOM 1714 O LEU A 184 26.562 17.930 6.495 1.00 26.09 O ATOM 1715 CB LEU A 184 29.447 18.817 6.117 1.00 25.15 C ATOM 1716 CG LEU A 184 30.795 18.801 5.378 1.00 25.06 C ATOM 1717 CD1 LEU A 184 31.871 18.168 6.265 1.00 24.44 C ATOM 1718 CD2 LEU A 184 30.688 18.033 4.069 1.00 25.50 C ATOM 1719 H LEU A 184 28.904 21.334 5.568 1.00 0.00 H ATOM 1720 N LEU A 185 26.277 20.149 6.645 1.00 26.78 N ATOM 1721 CA LEU A 185 25.206 20.054 7.636 1.00 26.92 C ATOM 1722 C LEU A 185 23.837 20.373 7.032 1.00 28.40 C ATOM 1723 O LEU A 185 23.763 20.962 5.953 1.00 29.97 O ATOM 1724 CB LEU A 185 25.499 21.006 8.802 1.00 26.21 C ATOM 1725 CG LEU A 185 26.833 20.874 9.548 1.00 26.26 C ATOM 1726 CD1 LEU A 185 26.930 21.933 10.616 1.00 25.62 C ATOM 1727 CD2 LEU A 185 26.952 19.507 10.158 1.00 27.43 C ATOM 1728 H LEU A 185 26.532 21.081 6.259 1.00 0.00 H ATOM 1729 N PRO A 186 22.738 19.984 7.717 1.00 28.65 N ATOM 1730 CA PRO A 186 21.426 20.482 7.266 1.00 30.91 C ATOM 1731 C PRO A 186 21.382 22.014 7.346 1.00 32.06 C ATOM 1732 O PRO A 186 22.311 22.614 7.890 1.00 30.74 O ATOM 1733 CB PRO A 186 20.451 19.865 8.279 1.00 30.65 C ATOM 1734 CG PRO A 186 21.151 18.650 8.789 1.00 28.59 C ATOM 1735 CD PRO A 186 22.607 19.023 8.831 1.00 27.06 C ATOM 1736 N LYS A 187 20.337 22.637 6.798 1.00 34.72 N ATOM 1737 CA LYS A 187 20.113 24.082 6.955 1.00 36.74 C ATOM 1738 C LYS A 187 20.117 24.439 8.438 1.00 35.95 C ATOM 1739 O LYS A 187 19.472 23.768 9.245 1.00 35.37 O ATOM 1740 CB LYS A 187 18.765 24.508 6.354 1.00 39.93 C ATOM 1741 CG LYS A 187 18.464 23.943 4.971 1.00 42.37 C ATOM 1742 CD LYS A 187 18.521 24.987 3.878 1.00 44.79 C ATOM 1743 CE LYS A 187 18.365 24.309 2.518 1.00 47.14 C ATOM 1744 NZ LYS A 187 17.539 25.107 1.574 1.00 50.43 N ATOM 1745 HZ1 LYS A 187 16.589 25.242 1.975 1.00 0.00 H ATOM 1746 HZ2 LYS A 187 17.987 26.033 1.421 1.00 0.00 H ATOM 1747 HZ3 LYS A 187 17.465 24.602 0.668 1.00 0.00 H ATOM 1748 H LYS A 187 19.657 22.081 6.240 1.00 0.00 H ATOM 1749 N GLU A 187A 20.830 25.499 8.793 1.00 36.28 N ATOM 1750 CA GLU A 187A 20.956 25.911 10.191 1.00 35.62 C ATOM 1751 C GLU A 187A 19.606 25.998 10.920 1.00 36.27 C ATOM 1752 O GLU A 187A 19.491 25.543 12.061 1.00 33.97 O ATOM 1753 CB GLU A 187A 21.735 27.237 10.291 1.00 37.37 C ATOM 1754 CG GLU A 187A 22.075 27.647 11.725 1.00 38.75 C ATOM 1755 CD GLU A 187A 23.293 28.568 11.856 1.00 42.34 C ATOM 1756 OE1 GLU A 187A 23.431 29.178 12.941 1.00 45.34 O ATOM 1757 OE2 GLU A 187A 24.111 28.681 10.914 1.00 42.16 O ATOM 1758 H GLU A 187A 21.313 26.053 8.057 1.00 0.00 H ATOM 1759 N GLU A 187B 18.587 26.552 10.259 1.00 38.52 N ATOM 1760 CA GLU A 187B 17.273 26.749 10.896 1.00 40.50 C ATOM 1761 C GLU A 187B 16.577 25.426 11.288 1.00 38.66 C ATOM 1762 O GLU A 187B 15.678 25.411 12.136 1.00 39.10 O ATOM 1763 CB GLU A 187B 16.354 27.636 10.026 1.00 44.80 C ATOM 1764 CG GLU A 187B 15.715 26.902 8.831 1.00 48.62 C ATOM 1765 CD GLU A 187B 15.377 27.799 7.643 1.00 55.76 C ATOM 1766 OE1 GLU A 187B 15.400 27.284 6.501 1.00 58.14 O ATOM 1767 OE2 GLU A 187B 15.081 29.004 7.830 1.00 59.63 O ATOM 1768 H GLU A 187B 18.724 26.851 9.272 1.00 0.00 H ATOM 1769 N LYS A 188 17.006 24.325 10.672 1.00 36.19 N ATOM 1770 CA LYS A 188 16.468 23.000 10.976 1.00 34.44 C ATOM 1771 C LYS A 188 17.207 22.314 12.132 1.00 30.85 C ATOM 1772 O LYS A 188 16.884 21.185 12.493 1.00 30.18 O ATOM 1773 CB LYS A 188 16.489 22.112 9.727 1.00 34.68 C ATOM 1774 CG LYS A 188 15.436 22.468 8.685 1.00 39.63 C ATOM 1775 CD LYS A 188 15.613 21.604 7.450 1.00 42.45 C ATOM 1776 CE LYS A 188 14.930 22.201 6.234 1.00 46.92 C ATOM 1777 NZ LYS A 188 13.436 22.156 6.344 1.00 50.40 N ATOM 1778 HZ1 LYS A 188 13.126 21.168 6.436 1.00 0.00 H ATOM 1779 HZ2 LYS A 188 13.135 22.695 7.181 1.00 0.00 H ATOM 1780 HZ3 LYS A 188 13.014 22.575 5.491 1.00 0.00 H ATOM 1781 H LYS A 188 17.749 24.411 9.950 1.00 0.00 H ATOM 1782 N LEU A 189 18.192 22.993 12.708 1.00 28.81 N ATOM 1783 CA LEU A 189 18.985 22.425 13.793 1.00 26.20 C ATOM 1784 C LEU A 189 18.496 22.857 15.182 1.00 25.86 C ATOM 1785 O LEU A 189 19.197 22.690 16.179 1.00 24.38 O ATOM 1786 CB LEU A 189 20.473 22.716 13.576 1.00 24.73 C ATOM 1787 CG LEU A 189 21.112 22.139 12.292 1.00 26.14 C ATOM 1788 CD1 LEU A 189 22.613 22.414 12.234 1.00 24.45 C ATOM 1789 CD2 LEU A 189 20.845 20.631 12.153 1.00 23.73 C ATOM 1790 H LEU A 189 18.404 23.956 12.377 1.00 0.00 H ATOM 1791 N ARG A 189A 17.273 23.384 15.241 1.00 27.67 N ATOM 1792 CA ARG A 189A 16.673 23.839 16.501 1.00 28.18 C ATOM 1793 C ARG A 189A 16.215 22.669 17.388 1.00 26.40 C ATOM 1794 O ARG A 189A 16.162 22.803 18.622 1.00 25.63 O ATOM 1795 CB ARG A 189A 15.502 24.800 16.242 1.00 31.30 C ATOM 1796 CG ARG A 189A 15.898 26.051 15.461 1.00 35.43 C ATOM 1797 CD ARG A 189A 14.806 27.107 15.458 1.00 44.13 C ATOM 1798 NE ARG A 189A 14.966 28.052 16.567 1.00 48.81 N ATOM 1799 CZ ARG A 189A 15.734 29.142 16.528 1.00 51.42 C ATOM 1800 NH1 ARG A 189A 16.435 29.433 15.433 1.00 53.05 N ATOM 1801 NH2 ARG A 189A 15.807 29.942 17.588 1.00 52.01 N ATOM 1802 HE ARG A 189A 14.444 27.859 17.446 1.00 0.00 H ATOM 1803 HH12 ARG A 189A 17.032 30.284 15.409 1.00 0.00 H ATOM 1804 HH11 ARG A 189A 16.385 28.809 14.603 1.00 0.00 H ATOM 1805 HH22 ARG A 189A 16.406 30.792 17.558 1.00 0.00 H ATOM 1806 HH21 ARG A 189A 15.265 29.718 18.447 1.00 0.00 H ATOM 1807 H ARG A 189A 16.724 23.476 14.362 1.00 0.00 H ATOM 1808 N HIS A 190 15.892 21.540 16.750 1.00 25.33 N ATOM 1809 CA HIS A 190 15.411 20.348 17.433 1.00 24.59 C ATOM 1810 C HIS A 190 16.528 19.327 17.571 1.00 22.35 C ATOM 1811 O HIS A 190 17.028 18.805 16.567 1.00 21.86 O ATOM 1812 CB HIS A 190 14.237 19.708 16.673 1.00 26.17 C ATOM 1813 CG HIS A 190 12.931 20.409 16.867 1.00 30.55 C ATOM 1814 ND1 HIS A 190 12.380 21.232 15.908 1.00 34.72 N ATOM 1815 CD2 HIS A 190 12.058 20.403 17.905 1.00 31.68 C ATOM 1816 CE1 HIS A 190 11.223 21.701 16.344 1.00 37.09 C ATOM 1817 NE2 HIS A 190 11.004 21.213 17.553 1.00 35.36 N ATOM 1818 H HIS A 190 15.989 21.512 15.715 1.00 0.00 H ATOM 1819 N TYR A 191 16.922 19.055 18.813 1.00 21.22 N ATOM 1820 CA TYR A 191 17.972 18.070 19.111 1.00 19.97 C ATOM 1821 C TYR A 191 17.723 17.339 20.429 1.00 19.77 C ATOM 1822 O TYR A 191 16.965 17.817 21.280 1.00 20.19 O ATOM 1823 CB TYR A 191 19.357 18.727 19.160 1.00 19.17 C ATOM 1824 CG TYR A 191 19.469 19.875 20.138 1.00 19.86 C ATOM 1825 CD1 TYR A 191 19.839 19.657 21.474 1.00 18.71 C ATOM 1826 CD2 TYR A 191 19.233 21.185 19.723 1.00 19.13 C ATOM 1827 CE1 TYR A 191 19.944 20.717 22.363 1.00 18.08 C ATOM 1828 CE2 TYR A 191 19.340 22.240 20.599 1.00 19.59 C ATOM 1829 CZ TYR A 191 19.699 22.004 21.911 1.00 19.20 C ATOM 1830 OH TYR A 191 19.804 23.068 22.766 1.00 20.87 O ATOM 1831 HH TYR A 191 20.490 23.696 22.427 1.00 0.00 H ATOM 1832 H TYR A 191 16.470 19.558 19.603 1.00 0.00 H ATOM 1833 N PHE A 192 18.403 16.207 20.592 1.00 19.07 N ATOM 1834 CA PHE A 192 18.341 15.393 21.795 1.00 18.39 C ATOM 1835 C PHE A 192 19.670 15.542 22.510 1.00 17.96 C ATOM 1836 O PHE A 192 20.695 15.814 21.872 1.00 17.60 O ATOM 1837 CB PHE A 192 18.051 13.925 21.435 1.00 18.60 C ATOM 1838 CG PHE A 192 16.763 13.734 20.686 1.00 19.95 C ATOM 1839 CD1 PHE A 192 15.538 13.749 21.357 1.00 20.03 C ATOM 1840 CD2 PHE A 192 16.767 13.573 19.304 1.00 19.93 C ATOM 1841 CE1 PHE A 192 14.343 13.583 20.669 1.00 21.42 C ATOM 1842 CE2 PHE A 192 15.584 13.412 18.594 1.00 21.69 C ATOM 1843 CZ PHE A 192 14.362 13.415 19.278 1.00 24.85 C ATOM 1844 H PHE A 192 19.014 15.886 19.814 1.00 0.00 H ATOM 1845 N ARG A 193 19.637 15.416 23.834 1.00 17.68 N ATOM 1846 CA ARG A 193 20.781 15.720 24.696 1.00 17.27 C ATOM 1847 C ARG A 193 20.836 14.680 25.812 1.00 17.62 C ATOM 1848 O ARG A 193 19.812 14.379 26.447 1.00 17.16 O ATOM 1849 CB ARG A 193 20.668 17.139 25.276 1.00 17.76 C ATOM 1850 CG ARG A 193 21.580 17.484 26.510 1.00 17.39 C ATOM 1851 CD ARG A 193 23.084 17.519 26.161 1.00 19.03 C ATOM 1852 NE ARG A 193 23.319 18.277 24.933 1.00 18.62 N ATOM 1853 CZ ARG A 193 23.201 19.603 24.822 1.00 19.83 C ATOM 1854 NH1 ARG A 193 22.899 20.351 25.882 1.00 18.48 N ATOM 1855 NH2 ARG A 193 23.403 20.189 23.639 1.00 20.88 N ATOM 1856 HE ARG A 193 23.598 17.745 24.084 1.00 0.00 H ATOM 1857 HH12 ARG A 193 22.810 21.382 25.782 1.00 0.00 H ATOM 1858 HH11 ARG A 193 22.752 19.904 26.809 1.00 0.00 H ATOM 1859 HH22 ARG A 193 23.312 21.221 23.548 1.00 0.00 H ATOM 1860 HH21 ARG A 193 23.651 19.613 22.809 1.00 0.00 H ATOM 1861 H ARG A 193 18.756 15.086 24.278 1.00 0.00 H ATOM 1862 N TYR A 194 22.025 14.124 26.021 1.00 16.99 N ATOM 1863 CA TYR A 194 22.304 13.261 27.181 1.00 18.34 C ATOM 1864 C TYR A 194 23.811 13.212 27.455 1.00 18.05 C ATOM 1865 O TYR A 194 24.628 13.707 26.661 1.00 18.28 O ATOM 1866 CB TYR A 194 21.701 11.840 27.010 1.00 18.13 C ATOM 1867 CG TYR A 194 22.510 10.943 26.092 1.00 17.27 C ATOM 1868 CD1 TYR A 194 22.452 11.095 24.704 1.00 16.25 C ATOM 1869 CD2 TYR A 194 23.344 9.940 26.616 1.00 16.03 C ATOM 1870 CE1 TYR A 194 23.217 10.272 23.867 1.00 16.06 C ATOM 1871 CE2 TYR A 194 24.106 9.127 25.788 1.00 15.32 C ATOM 1872 CZ TYR A 194 24.039 9.297 24.419 1.00 14.63 C ATOM 1873 OH TYR A 194 24.800 8.497 23.592 1.00 17.23 O ATOM 1874 HH TYR A 194 24.635 8.748 22.649 1.00 0.00 H ATOM 1875 H TYR A 194 22.788 14.306 25.338 1.00 0.00 H ATOM 1876 N LEU A 195 24.164 12.623 28.588 1.00 19.15 N ATOM 1877 CA LEU A 195 25.544 12.526 29.035 1.00 19.12 C ATOM 1878 C LEU A 195 26.014 11.101 28.818 1.00 19.01 C ATOM 1879 O LEU A 195 25.315 10.153 29.193 1.00 19.72 O ATOM 1880 CB LEU A 195 25.648 12.922 30.523 1.00 19.84 C ATOM 1881 CG LEU A 195 25.459 14.417 30.868 1.00 19.91 C ATOM 1882 CD1 LEU A 195 25.371 14.652 32.367 1.00 19.53 C ATOM 1883 CD2 LEU A 195 26.584 15.299 30.276 1.00 19.22 C ATOM 1884 H LEU A 195 23.419 12.211 29.185 1.00 0.00 H ATOM 1885 N GLY A 196 27.175 10.939 28.189 1.00 18.65 N ATOM 1886 CA GLY A 196 27.721 9.602 27.974 1.00 19.18 C ATOM 1887 C GLY A 196 29.222 9.561 27.753 1.00 19.20 C ATOM 1888 O GLY A 196 29.978 10.280 28.413 1.00 19.63 O ATOM 1889 H GLY A 196 27.698 11.771 27.848 1.00 0.00 H ATOM 1890 N SER A 197 29.634 8.705 26.816 1.00 18.70 N ATOM 1891 CA SER A 197 31.031 8.373 26.616 1.00 18.45 C ATOM 1892 C SER A 197 31.444 8.557 25.162 1.00 17.58 C ATOM 1893 O SER A 197 30.592 8.718 24.273 1.00 16.38 O ATOM 1894 CB SER A 197 31.304 6.920 27.042 1.00 19.62 C ATOM 1895 OG SER A 197 30.849 5.993 26.062 1.00 19.04 O ATOM 1896 HG SER A 197 31.318 6.162 25.207 1.00 0.00 H ATOM 1897 H SER A 197 28.923 8.257 26.203 1.00 0.00 H ATOM 1898 N LEU A 198 32.758 8.560 24.939 1.00 17.78 N ATOM 1899 CA LEU A 198 33.324 8.304 23.618 1.00 17.22 C ATOM 1900 C LEU A 198 32.966 6.869 23.206 1.00 17.53 C ATOM 1901 O LEU A 198 32.817 5.979 24.064 1.00 18.75 O ATOM 1902 CB LEU A 198 34.849 8.518 23.632 1.00 17.97 C ATOM 1903 CG LEU A 198 35.304 9.941 23.992 1.00 18.72 C ATOM 1904 CD1 LEU A 198 36.811 10.027 24.303 1.00 20.97 C ATOM 1905 CD2 LEU A 198 34.904 10.929 22.900 1.00 17.47 C ATOM 1906 H LEU A 198 33.402 8.751 25.733 1.00 0.00 H ATOM 1907 N THR A 199 32.801 6.651 21.907 1.00 16.46 N ATOM 1908 CA THR A 199 32.368 5.359 21.391 1.00 16.41 C ATOM 1909 C THR A 199 33.518 4.452 20.870 1.00 16.80 C ATOM 1910 O THR A 199 33.264 3.454 20.199 1.00 17.48 O ATOM 1911 CB THR A 199 31.270 5.530 20.314 1.00 15.27 C ATOM 1912 OG1 THR A 199 31.815 6.141 19.140 1.00 14.86 O ATOM 1913 CG2 THR A 199 30.092 6.414 20.832 1.00 14.79 C ATOM 1914 HG1 THR A 199 31.102 6.244 18.461 1.00 0.00 H ATOM 1915 H THR A 199 32.986 7.425 21.238 1.00 0.00 H ATOM 1916 N THR A 200 34.771 4.814 21.153 1.00 17.33 N ATOM 1917 CA THR A 200 35.918 3.937 20.901 1.00 17.90 C ATOM 1918 C THR A 200 36.751 3.872 22.190 1.00 19.30 C ATOM 1919 O THR A 200 36.679 4.799 23.011 1.00 19.69 O ATOM 1920 CB THR A 200 36.810 4.435 19.726 1.00 17.87 C ATOM 1921 OG1 THR A 200 37.406 5.680 20.094 1.00 18.03 O ATOM 1922 CG2 THR A 200 36.006 4.616 18.428 1.00 15.96 C ATOM 1923 HG1 THR A 200 37.975 6.004 19.352 1.00 0.00 H ATOM 1924 H THR A 200 34.940 5.753 21.568 1.00 0.00 H ATOM 1925 N PRO A 201 37.535 2.787 22.393 1.00 20.30 N ATOM 1926 CA PRO A 201 38.392 2.747 23.611 1.00 22.31 C ATOM 1927 C PRO A 201 39.302 3.981 23.715 1.00 22.31 C ATOM 1928 O PRO A 201 39.856 4.397 22.702 1.00 22.02 O ATOM 1929 CB PRO A 201 39.227 1.463 23.429 1.00 23.59 C ATOM 1930 CG PRO A 201 38.440 0.618 22.517 1.00 22.90 C ATOM 1931 CD PRO A 201 37.656 1.550 21.602 1.00 20.13 C ATOM 1932 N THR A 202 39.469 4.563 24.906 1.00 23.10 N ATOM 1933 CA THR A 202 39.032 4.007 26.196 1.00 24.16 C ATOM 1934 C THR A 202 37.592 4.380 26.659 1.00 23.24 C ATOM 1935 O THR A 202 37.254 4.220 27.835 1.00 23.75 O ATOM 1936 CB THR A 202 40.043 4.393 27.315 1.00 26.14 C ATOM 1937 OG1 THR A 202 40.239 5.814 27.311 1.00 26.29 O ATOM 1938 CG2 THR A 202 41.389 3.716 27.091 1.00 28.11 C ATOM 1939 HG1 THR A 202 39.374 6.266 27.476 1.00 0.00 H ATOM 1940 H THR A 202 39.948 5.486 24.922 1.00 0.00 H ATOM 1941 N CYS A 203 36.749 4.865 25.751 1.00 21.19 N ATOM 1942 CA CYS A 203 35.332 5.098 26.080 1.00 21.26 C ATOM 1943 C CYS A 203 35.147 5.963 27.327 1.00 22.07 C ATOM 1944 O CYS A 203 34.338 5.630 28.211 1.00 22.37 O ATOM 1945 CB CYS A 203 34.594 3.756 26.292 1.00 22.02 C ATOM 1946 SG CYS A 203 34.765 2.494 24.948 1.00 22.87 S ATOM 1947 H CYS A 203 37.095 5.083 24.795 1.00 0.00 H ATOM 1948 N ASP A 204 35.908 7.055 27.414 1.00 22.38 N ATOM 1949 CA ASP A 204 35.910 7.898 28.617 1.00 23.52 C ATOM 1950 C ASP A 204 34.546 8.523 28.780 1.00 22.18 C ATOM 1951 O ASP A 204 33.951 8.978 27.795 1.00 20.69 O ATOM 1952 CB ASP A 204 36.971 9.000 28.516 1.00 24.52 C ATOM 1953 CG ASP A 204 38.381 8.508 28.831 1.00 28.65 C ATOM 1954 OD1 ASP A 204 38.593 7.295 29.050 1.00 31.30 O ATOM 1955 OD2 ASP A 204 39.294 9.364 28.865 1.00 33.01 O ATOM 1956 H ASP A 204 36.515 7.316 26.611 1.00 0.00 H ATOM 1957 N GLU A 205 34.039 8.542 30.011 1.00 22.31 N ATOM 1958 CA GLU A 205 32.691 9.058 30.258 1.00 22.05 C ATOM 1959 C GLU A 205 32.783 10.552 30.514 1.00 21.92 C ATOM 1960 O GLU A 205 32.705 11.011 31.656 1.00 22.42 O ATOM 1961 CB GLU A 205 32.004 8.291 31.403 1.00 23.16 C ATOM 1962 CG GLU A 205 31.800 6.809 31.024 1.00 25.57 C ATOM 1963 CD GLU A 205 31.114 5.948 32.090 1.00 29.56 C ATOM 1964 OE1 GLU A 205 31.192 6.253 33.304 1.00 32.30 O ATOM 1965 OE2 GLU A 205 30.501 4.937 31.692 1.00 30.14 O ATOM 1966 H GLU A 205 34.607 8.186 30.806 1.00 0.00 H ATOM 1967 N LYS A 206 32.989 11.297 29.427 1.00 20.84 N ATOM 1968 CA LYS A 206 33.264 12.727 29.517 1.00 21.89 C ATOM 1969 C LYS A 206 32.615 13.517 28.370 1.00 20.42 C ATOM 1970 O LYS A 206 33.051 14.627 28.025 1.00 20.63 O ATOM 1971 CB LYS A 206 34.781 12.982 29.605 1.00 23.32 C ATOM 1972 CG LYS A 206 35.608 12.574 28.389 1.00 25.38 C ATOM 1973 CD LYS A 206 37.121 12.825 28.697 1.00 32.16 C ATOM 1974 CE LYS A 206 38.019 12.451 27.514 1.00 33.16 C ATOM 1975 NZ LYS A 206 39.470 12.711 27.785 1.00 37.07 N ATOM 1976 HZ1 LYS A 206 39.608 13.722 27.984 1.00 0.00 H ATOM 1977 HZ2 LYS A 206 39.774 12.150 28.606 1.00 0.00 H ATOM 1978 HZ3 LYS A 206 40.031 12.440 26.952 1.00 0.00 H ATOM 1979 H LYS A 206 32.953 10.847 28.490 1.00 0.00 H ATOM 1980 N VAL A 207 31.543 12.956 27.823 1.00 18.53 N ATOM 1981 CA VAL A 207 30.911 13.528 26.656 1.00 17.98 C ATOM 1982 C VAL A 207 29.511 14.018 26.964 1.00 17.88 C ATOM 1983 O VAL A 207 28.663 13.271 27.468 1.00 18.00 O ATOM 1984 CB VAL A 207 30.841 12.529 25.466 1.00 16.71 C ATOM 1985 CG1 VAL A 207 30.265 13.220 24.193 1.00 15.33 C ATOM 1986 CG2 VAL A 207 32.208 11.952 25.168 1.00 16.51 C ATOM 1987 H VAL A 207 31.151 12.089 28.242 1.00 0.00 H ATOM 1988 N VAL A 208 29.271 15.277 26.639 1.00 17.98 N ATOM 1989 CA VAL A 208 27.910 15.733 26.495 1.00 17.43 C ATOM 1990 C VAL A 208 27.503 15.542 25.029 1.00 17.22 C ATOM 1991 O VAL A 208 28.090 16.135 24.113 1.00 17.00 O ATOM 1992 CB VAL A 208 27.709 17.172 27.051 1.00 18.75 C ATOM 1993 CG1 VAL A 208 28.757 18.173 26.487 1.00 18.50 C ATOM 1994 CG2 VAL A 208 26.289 17.638 26.814 1.00 18.15 C ATOM 1995 H VAL A 208 30.061 15.936 26.488 1.00 0.00 H ATOM 1996 N TRP A 209 26.511 14.675 24.823 1.00 16.79 N ATOM 1997 CA TRP A 209 26.017 14.324 23.492 1.00 15.94 C ATOM 1998 C TRP A 209 24.912 15.247 22.992 1.00 16.00 C ATOM 1999 O TRP A 209 24.053 15.667 23.762 1.00 16.32 O ATOM 2000 CB TRP A 209 25.523 12.872 23.470 1.00 15.75 C ATOM 2001 CG TRP A 209 26.653 11.878 23.324 1.00 15.82 C ATOM 2002 CD1 TRP A 209 27.258 11.158 24.327 1.00 15.06 C ATOM 2003 CD2 TRP A 209 27.350 11.553 22.118 1.00 14.12 C ATOM 2004 NE1 TRP A 209 28.267 10.382 23.802 1.00 17.06 N ATOM 2005 CE2 TRP A 209 28.345 10.599 22.451 1.00 15.47 C ATOM 2006 CE3 TRP A 209 27.207 11.946 20.776 1.00 15.57 C ATOM 2007 CZ2 TRP A 209 29.214 10.050 21.497 1.00 14.13 C ATOM 2008 CZ3 TRP A 209 28.066 11.392 19.818 1.00 13.15 C ATOM 2009 CH2 TRP A 209 29.063 10.458 20.187 1.00 14.45 C ATOM 2010 HE1 TRP A 209 28.873 9.734 24.344 1.00 0.00 H ATOM 2011 H TRP A 209 26.067 14.226 25.649 1.00 0.00 H ATOM 2012 N THR A 210 24.951 15.557 21.696 1.00 15.35 N ATOM 2013 CA THR A 210 23.813 16.163 21.016 1.00 16.01 C ATOM 2014 C THR A 210 23.505 15.374 19.742 1.00 15.73 C ATOM 2015 O THR A 210 24.399 15.146 18.921 1.00 16.38 O ATOM 2016 CB THR A 210 24.075 17.636 20.659 1.00 17.04 C ATOM 2017 OG1 THR A 210 24.416 18.355 21.849 1.00 16.52 O ATOM 2018 CG2 THR A 210 22.828 18.267 19.995 1.00 16.78 C ATOM 2019 HG1 THR A 210 25.230 17.960 22.250 1.00 0.00 H ATOM 2020 H THR A 210 25.817 15.361 21.155 1.00 0.00 H ATOM 2021 N VAL A 211 22.262 14.916 19.603 1.00 16.24 N ATOM 2022 CA VAL A 211 21.851 14.221 18.385 1.00 16.06 C ATOM 2023 C VAL A 211 20.757 15.062 17.751 1.00 16.70 C ATOM 2024 O VAL A 211 19.704 15.257 18.347 1.00 17.92 O ATOM 2025 CB VAL A 211 21.325 12.788 18.646 1.00 16.08 C ATOM 2026 CG1 VAL A 211 21.016 12.090 17.323 1.00 16.81 C ATOM 2027 CG2 VAL A 211 22.322 11.951 19.444 1.00 15.86 C ATOM 2028 H VAL A 211 21.575 15.055 20.371 1.00 0.00 H ATOM 2029 N PHE A 212 21.009 15.562 16.547 1.00 16.56 N ATOM 2030 CA PHE A 212 20.035 16.429 15.882 1.00 18.44 C ATOM 2031 C PHE A 212 18.914 15.616 15.245 1.00 18.86 C ATOM 2032 O PHE A 212 19.179 14.569 14.675 1.00 18.64 O ATOM 2033 CB PHE A 212 20.733 17.346 14.864 1.00 18.62 C ATOM 2034 CG PHE A 212 21.563 18.432 15.510 1.00 18.52 C ATOM 2035 CD1 PHE A 212 22.904 18.206 15.819 1.00 17.56 C ATOM 2036 CD2 PHE A 212 20.988 19.654 15.842 1.00 17.78 C ATOM 2037 CE1 PHE A 212 23.667 19.195 16.441 1.00 15.42 C ATOM 2038 CE2 PHE A 212 21.738 20.657 16.468 1.00 19.34 C ATOM 2039 CZ PHE A 212 23.083 20.426 16.765 1.00 18.52 C ATOM 2040 H PHE A 212 21.906 15.336 16.072 1.00 0.00 H ATOM 2041 N ARG A 213 17.677 16.096 15.362 1.00 20.29 N ATOM 2042 CA ARG A 213 16.516 15.420 14.748 1.00 22.14 C ATOM 2043 C ARG A 213 16.583 15.398 13.208 1.00 22.54 C ATOM 2044 O ARG A 213 16.195 14.415 12.573 1.00 22.73 O ATOM 2045 CB ARG A 213 15.200 16.062 15.208 1.00 23.49 C ATOM 2046 CG ARG A 213 13.955 15.255 14.862 1.00 26.96 C ATOM 2047 CD ARG A 213 12.682 15.961 15.333 1.00 33.95 C ATOM 2048 NE ARG A 213 12.202 16.964 14.375 1.00 38.21 N ATOM 2049 CZ ARG A 213 11.242 17.851 14.631 1.00 40.92 C ATOM 2050 NH1 ARG A 213 10.654 17.884 15.823 1.00 41.84 N ATOM 2051 NH2 ARG A 213 10.874 18.714 13.693 1.00 42.52 N ATOM 2052 HE ARG A 213 12.641 16.983 13.432 1.00 0.00 H ATOM 2053 HH12 ARG A 213 9.905 18.580 16.014 1.00 0.00 H ATOM 2054 HH11 ARG A 213 10.943 17.214 16.564 1.00 0.00 H ATOM 2055 HH22 ARG A 213 10.125 19.408 13.890 1.00 0.00 H ATOM 2056 HH21 ARG A 213 11.335 18.697 12.761 1.00 0.00 H ATOM 2057 H ARG A 213 17.524 16.972 15.901 1.00 0.00 H ATOM 2058 N GLU A 214 17.083 16.477 12.618 1.00 22.94 N ATOM 2059 CA GLU A 214 17.096 16.609 11.166 1.00 23.57 C ATOM 2060 C GLU A 214 18.247 15.850 10.540 1.00 22.16 C ATOM 2061 O GLU A 214 19.398 16.099 10.872 1.00 21.35 O ATOM 2062 CB GLU A 214 17.157 18.079 10.736 1.00 24.83 C ATOM 2063 CG GLU A 214 17.115 18.271 9.210 1.00 26.34 C ATOM 2064 CD GLU A 214 15.714 18.180 8.645 1.00 31.94 C ATOM 2065 OE1 GLU A 214 14.758 18.034 9.437 1.00 34.90 O ATOM 2066 OE2 GLU A 214 15.561 18.273 7.403 1.00 34.53 O ATOM 2067 H GLU A 214 17.473 17.243 13.203 1.00 0.00 H ATOM 2068 N PRO A 215 17.936 14.923 9.620 1.00 22.78 N ATOM 2069 CA PRO A 215 18.964 14.191 8.875 1.00 21.83 C ATOM 2070 C PRO A 215 19.661 14.990 7.768 1.00 21.76 C ATOM 2071 O PRO A 215 19.040 15.852 7.139 1.00 22.72 O ATOM 2072 CB PRO A 215 18.181 13.028 8.235 1.00 22.32 C ATOM 2073 CG PRO A 215 16.863 12.978 8.963 1.00 24.17 C ATOM 2074 CD PRO A 215 16.587 14.396 9.349 1.00 23.93 C ATOM 2075 N ILE A 216 20.947 14.683 7.546 1.00 20.52 N ATOM 2076 CA ILE A 216 21.657 15.068 6.323 1.00 20.18 C ATOM 2077 C ILE A 216 21.170 14.138 5.207 1.00 20.58 C ATOM 2078 O ILE A 216 21.029 12.933 5.413 1.00 19.83 O ATOM 2079 CB ILE A 216 23.198 14.917 6.498 1.00 19.40 C ATOM 2080 CG1 ILE A 216 23.722 15.887 7.564 1.00 17.93 C ATOM 2081 CG2 ILE A 216 23.942 15.115 5.173 1.00 19.36 C ATOM 2082 CD1 ILE A 216 25.067 15.425 8.214 1.00 16.72 C ATOM 2083 H ILE A 216 21.463 14.148 8.273 1.00 0.00 H ATOM 2084 N GLN A 217 20.882 14.700 4.045 1.00 21.79 N ATOM 2085 CA GLN A 217 20.498 13.912 2.877 1.00 22.80 C ATOM 2086 C GLN A 217 21.735 13.689 2.012 1.00 22.04 C ATOM 2087 O GLN A 217 22.383 14.642 1.589 1.00 21.66 O ATOM 2088 CB GLN A 217 19.403 14.617 2.067 1.00 25.54 C ATOM 2089 CG GLN A 217 18.098 14.945 2.811 1.00 27.97 C ATOM 2090 CD GLN A 217 17.368 13.706 3.333 1.00 32.41 C ATOM 2091 OE1 GLN A 217 17.228 12.702 2.634 1.00 35.05 O ATOM 2092 NE2 GLN A 217 16.890 13.783 4.568 1.00 34.26 N ATOM 2093 HE22 GLN A 217 17.029 14.649 5.126 1.00 0.00 H ATOM 2094 HE21 GLN A 217 16.376 12.977 4.978 1.00 0.00 H ATOM 2095 H GLN A 217 20.931 15.735 3.960 1.00 0.00 H ATOM 2096 N LEU A 218 22.089 12.425 1.800 1.00 20.78 N ATOM 2097 CA LEU A 218 23.207 12.062 0.918 1.00 20.95 C ATOM 2098 C LEU A 218 22.748 11.007 -0.045 1.00 20.81 C ATOM 2099 O LEU A 218 22.018 10.089 0.346 1.00 21.46 O ATOM 2100 CB LEU A 218 24.368 11.468 1.707 1.00 19.20 C ATOM 2101 CG LEU A 218 25.688 12.200 1.903 1.00 21.42 C ATOM 2102 CD1 LEU A 218 26.816 11.216 2.291 1.00 17.18 C ATOM 2103 CD2 LEU A 218 26.077 12.957 0.668 1.00 22.48 C ATOM 2104 H LEU A 218 21.557 11.668 2.274 1.00 0.00 H ATOM 2105 N HIS A 219 23.181 11.125 -1.297 1.00 21.11 N ATOM 2106 CA HIS A 219 22.898 10.125 -2.307 1.00 21.15 C ATOM 2107 C HIS A 219 23.527 8.790 -1.896 1.00 20.38 C ATOM 2108 O HIS A 219 24.619 8.760 -1.312 1.00 19.32 O ATOM 2109 CB HIS A 219 23.450 10.612 -3.643 1.00 22.31 C ATOM 2110 CG HIS A 219 22.950 9.857 -4.833 1.00 22.61 C ATOM 2111 ND1 HIS A 219 23.384 8.587 -5.145 1.00 21.88 N ATOM 2112 CD2 HIS A 219 22.100 10.217 -5.823 1.00 23.87 C ATOM 2113 CE1 HIS A 219 22.804 8.187 -6.263 1.00 24.47 C ATOM 2114 NE2 HIS A 219 22.013 9.157 -6.691 1.00 25.31 N ATOM 2115 H HIS A 219 23.740 11.961 -1.560 1.00 0.00 H ATOM 2116 N ARG A 220 22.826 7.694 -2.174 1.00 21.40 N ATOM 2117 CA ARG A 220 23.318 6.327 -1.904 1.00 21.04 C ATOM 2118 C ARG A 220 24.736 6.088 -2.405 1.00 20.33 C ATOM 2119 O ARG A 220 25.542 5.446 -1.739 1.00 19.12 O ATOM 2120 CB ARG A 220 22.403 5.277 -2.548 1.00 22.73 C ATOM 2121 CG ARG A 220 21.034 5.149 -1.912 1.00 25.96 C ATOM 2122 CD ARG A 220 20.161 4.099 -2.634 1.00 31.45 C ATOM 2123 NE ARG A 220 18.886 3.959 -1.929 1.00 36.58 N ATOM 2124 CZ ARG A 220 17.786 4.662 -2.204 1.00 39.16 C ATOM 2125 NH1 ARG A 220 17.771 5.541 -3.204 1.00 39.77 N ATOM 2126 NH2 ARG A 220 16.686 4.470 -1.487 1.00 40.63 N ATOM 2127 HE ARG A 220 18.834 3.262 -1.159 1.00 0.00 H ATOM 2128 HH12 ARG A 220 16.907 6.082 -3.408 1.00 0.00 H ATOM 2129 HH11 ARG A 220 18.624 5.686 -3.782 1.00 0.00 H ATOM 2130 HH22 ARG A 220 15.826 5.016 -1.698 1.00 0.00 H ATOM 2131 HH21 ARG A 220 16.684 3.774 -0.714 1.00 0.00 H ATOM 2132 H ARG A 220 21.885 7.805 -2.603 1.00 0.00 H ATOM 2133 N GLU A 221 25.041 6.596 -3.591 1.00 20.63 N ATOM 2134 CA GLU A 221 26.360 6.387 -4.140 1.00 20.51 C ATOM 2135 C GLU A 221 27.460 7.235 -3.487 1.00 19.42 C ATOM 2136 O GLU A 221 28.616 6.841 -3.482 1.00 20.17 O ATOM 2137 CB GLU A 221 26.325 6.512 -5.651 1.00 21.64 C ATOM 2138 CG GLU A 221 25.775 5.260 -6.256 1.00 23.25 C ATOM 2139 CD GLU A 221 25.689 5.321 -7.753 1.00 24.73 C ATOM 2140 OE1 GLU A 221 25.197 6.339 -8.275 1.00 26.78 O ATOM 2141 OE2 GLU A 221 26.113 4.344 -8.405 1.00 25.99 O ATOM 2142 H GLU A 221 24.334 7.142 -4.123 1.00 0.00 H ATOM 2143 N GLN A 222 27.089 8.379 -2.920 1.00 19.54 N ATOM 2144 CA GLN A 222 27.991 9.168 -2.086 1.00 18.57 C ATOM 2145 C GLN A 222 28.267 8.446 -0.765 1.00 17.28 C ATOM 2146 O GLN A 222 29.385 8.477 -0.277 1.00 16.73 O ATOM 2147 CB GLN A 222 27.419 10.561 -1.803 1.00 18.15 C ATOM 2148 CG GLN A 222 27.331 11.458 -3.017 1.00 20.99 C ATOM 2149 CD GLN A 222 26.789 12.849 -2.678 1.00 22.22 C ATOM 2150 OE1 GLN A 222 25.625 13.003 -2.300 1.00 23.09 O ATOM 2151 NE2 GLN A 222 27.645 13.859 -2.787 1.00 20.35 N ATOM 2152 HE22 GLN A 222 28.618 13.684 -3.110 1.00 0.00 H ATOM 2153 HE21 GLN A 222 27.342 14.825 -2.549 1.00 0.00 H ATOM 2154 H GLN A 222 26.121 8.725 -3.076 1.00 0.00 H ATOM 2155 N ILE A 223 27.254 7.807 -0.179 1.00 17.36 N ATOM 2156 CA ILE A 223 27.490 6.976 1.011 1.00 16.40 C ATOM 2157 C ILE A 223 28.360 5.751 0.664 1.00 16.55 C ATOM 2158 O ILE A 223 29.275 5.391 1.418 1.00 15.84 O ATOM 2159 CB ILE A 223 26.162 6.531 1.682 1.00 16.97 C ATOM 2160 CG1 ILE A 223 25.369 7.754 2.178 1.00 16.53 C ATOM 2161 CG2 ILE A 223 26.427 5.600 2.845 1.00 16.55 C ATOM 2162 CD1 ILE A 223 23.894 7.492 2.260 1.00 14.32 C ATOM 2163 H ILE A 223 26.293 7.897 -0.565 1.00 0.00 H ATOM 2164 N LEU A 224 28.094 5.118 -0.477 1.00 16.46 N ATOM 2165 CA LEU A 224 28.848 3.917 -0.841 1.00 17.25 C ATOM 2166 C LEU A 224 30.313 4.225 -1.157 1.00 17.85 C ATOM 2167 O LEU A 224 31.167 3.342 -1.021 1.00 18.06 O ATOM 2168 CB LEU A 224 28.177 3.159 -1.993 1.00 19.06 C ATOM 2169 CG LEU A 224 26.889 2.413 -1.613 1.00 19.72 C ATOM 2170 CD1 LEU A 224 26.127 1.993 -2.857 1.00 22.42 C ATOM 2171 CD2 LEU A 224 27.192 1.196 -0.720 1.00 19.77 C ATOM 2172 H LEU A 224 27.351 5.477 -1.110 1.00 0.00 H ATOM 2173 N ALA A 225 30.599 5.480 -1.534 1.00 17.28 N ATOM 2174 CA ALA A 225 31.961 5.923 -1.810 1.00 17.59 C ATOM 2175 C ALA A 225 32.888 5.700 -0.608 1.00 17.08 C ATOM 2176 O ALA A 225 34.086 5.437 -0.779 1.00 16.24 O ATOM 2177 CB ALA A 225 31.976 7.396 -2.240 1.00 17.38 C ATOM 2178 H ALA A 225 29.821 6.163 -1.633 1.00 0.00 H ATOM 2179 N PHE A 226 32.320 5.800 0.591 1.00 16.31 N ATOM 2180 CA PHE A 226 33.056 5.575 1.833 1.00 17.06 C ATOM 2181 C PHE A 226 33.548 4.123 1.951 1.00 17.56 C ATOM 2182 O PHE A 226 34.742 3.890 2.079 1.00 18.93 O ATOM 2183 CB PHE A 226 32.212 6.002 3.042 1.00 16.17 C ATOM 2184 CG PHE A 226 32.190 7.496 3.255 1.00 17.00 C ATOM 2185 CD1 PHE A 226 31.341 8.312 2.500 1.00 16.30 C ATOM 2186 CD2 PHE A 226 33.037 8.089 4.192 1.00 18.41 C ATOM 2187 CE1 PHE A 226 31.330 9.691 2.675 1.00 18.33 C ATOM 2188 CE2 PHE A 226 33.039 9.486 4.377 1.00 18.66 C ATOM 2189 CZ PHE A 226 32.178 10.286 3.605 1.00 19.65 C ATOM 2190 H PHE A 226 31.312 6.048 0.646 1.00 0.00 H ATOM 2191 N SER A 227 32.654 3.142 1.860 1.00 17.12 N ATOM 2192 CA SER A 227 33.109 1.751 1.859 1.00 17.16 C ATOM 2193 C SER A 227 33.862 1.355 0.572 1.00 17.45 C ATOM 2194 O SER A 227 34.660 0.405 0.576 1.00 17.99 O ATOM 2195 CB SER A 227 31.941 0.793 2.145 1.00 17.32 C ATOM 2196 OG SER A 227 30.928 0.892 1.164 1.00 19.86 O ATOM 2197 HG SER A 227 30.575 1.817 1.148 1.00 0.00 H ATOM 2198 H SER A 227 31.640 3.362 1.790 1.00 0.00 H ATOM 2199 N GLN A 227A 33.620 2.064 -0.528 1.00 16.65 N ATOM 2200 CA GLN A 227A 34.274 1.695 -1.786 1.00 17.03 C ATOM 2201 C GLN A 227A 35.724 2.135 -1.862 1.00 17.11 C ATOM 2202 O GLN A 227A 36.522 1.486 -2.511 1.00 17.63 O ATOM 2203 CB GLN A 227A 33.498 2.196 -3.017 1.00 17.27 C ATOM 2204 CG GLN A 227A 32.280 1.366 -3.324 1.00 17.85 C ATOM 2205 CD GLN A 227A 31.257 2.110 -4.176 1.00 18.27 C ATOM 2206 OE1 GLN A 227A 31.371 3.318 -4.411 1.00 17.04 O ATOM 2207 NE2 GLN A 227A 30.243 1.392 -4.623 1.00 17.44 N ATOM 2208 HE22 GLN A 227A 30.186 0.377 -4.401 1.00 0.00 H ATOM 2209 HE21 GLN A 227A 29.501 1.841 -5.197 1.00 0.00 H ATOM 2210 H GLN A 227A 32.970 2.875 -0.495 1.00 0.00 H ATOM 2211 N LYS A 228 36.047 3.231 -1.181 1.00 16.83 N ATOM 2212 CA LYS A 228 37.320 3.922 -1.337 1.00 17.60 C ATOM 2213 C LYS A 228 38.305 3.754 -0.184 1.00 17.52 C ATOM 2214 O LYS A 228 39.493 4.030 -0.356 1.00 18.49 O ATOM 2215 CB LYS A 228 37.074 5.417 -1.581 1.00 17.86 C ATOM 2216 CG LYS A 228 36.482 5.770 -2.987 1.00 19.31 C ATOM 2217 CD LYS A 228 37.090 4.835 -4.056 1.00 24.78 C ATOM 2218 CE LYS A 228 37.163 5.426 -5.460 1.00 26.84 C ATOM 2219 NZ LYS A 228 35.857 5.395 -6.159 1.00 29.36 N ATOM 2220 HZ1 LYS A 228 35.533 4.410 -6.243 1.00 0.00 H ATOM 2221 HZ2 LYS A 228 35.161 5.945 -5.616 1.00 0.00 H ATOM 2222 HZ3 LYS A 228 35.963 5.808 -7.108 1.00 0.00 H ATOM 2223 H LYS A 228 35.357 3.614 -0.504 1.00 0.00 H ATOM 2224 N LEU A 229 37.808 3.321 0.974 1.00 17.03 N ATOM 2225 CA LEU A 229 38.582 3.276 2.213 1.00 17.05 C ATOM 2226 C LEU A 229 38.767 1.852 2.708 1.00 17.33 C ATOM 2227 O LEU A 229 37.908 0.993 2.492 1.00 17.46 O ATOM 2228 CB LEU A 229 37.876 4.084 3.314 1.00 16.03 C ATOM 2229 CG LEU A 229 37.587 5.550 2.993 1.00 17.34 C ATOM 2230 CD1 LEU A 229 36.711 6.202 4.061 1.00 14.80 C ATOM 2231 CD2 LEU A 229 38.885 6.316 2.798 1.00 14.84 C ATOM 2232 H LEU A 229 36.819 2.999 0.997 1.00 0.00 H ATOM 2233 N TYR A 230 39.880 1.628 3.397 1.00 17.41 N ATOM 2234 CA TYR A 230 40.199 0.339 3.998 1.00 17.98 C ATOM 2235 C TYR A 230 40.651 0.527 5.438 1.00 18.28 C ATOM 2236 O TYR A 230 41.207 1.568 5.790 1.00 18.49 O ATOM 2237 CB TYR A 230 41.311 -0.330 3.213 1.00 18.60 C ATOM 2238 CG TYR A 230 40.919 -0.720 1.818 1.00 18.56 C ATOM 2239 CD1 TYR A 230 40.393 -1.990 1.566 1.00 17.54 C ATOM 2240 CD2 TYR A 230 41.093 0.162 0.747 1.00 17.22 C ATOM 2241 CE1 TYR A 230 40.051 -2.375 0.301 1.00 19.20 C ATOM 2242 CE2 TYR A 230 40.762 -0.214 -0.545 1.00 17.46 C ATOM 2243 CZ TYR A 230 40.233 -1.487 -0.760 1.00 19.59 C ATOM 2244 OH TYR A 230 39.880 -1.897 -2.020 1.00 16.76 O ATOM 2245 HH TYR A 230 39.184 -1.292 -2.380 1.00 0.00 H ATOM 2246 H TYR A 230 40.556 2.410 3.513 1.00 0.00 H ATOM 2247 N TYR A 231 40.390 -0.486 6.262 1.00 18.61 N ATOM 2248 CA TYR A 231 40.861 -0.533 7.630 1.00 18.80 C ATOM 2249 C TYR A 231 42.374 -0.772 7.735 1.00 20.86 C ATOM 2250 O TYR A 231 42.996 -0.421 8.748 1.00 21.25 O ATOM 2251 CB TYR A 231 40.181 -1.676 8.361 1.00 19.04 C ATOM 2252 CG TYR A 231 38.786 -1.421 8.857 1.00 17.40 C ATOM 2253 CD1 TYR A 231 38.552 -0.544 9.913 1.00 18.08 C ATOM 2254 CD2 TYR A 231 37.706 -2.113 8.326 1.00 17.51 C ATOM 2255 CE1 TYR A 231 37.281 -0.336 10.398 1.00 17.37 C ATOM 2256 CE2 TYR A 231 36.410 -1.911 8.812 1.00 16.81 C ATOM 2257 CZ TYR A 231 36.210 -1.026 9.840 1.00 17.88 C ATOM 2258 OH TYR A 231 34.937 -0.822 10.327 1.00 18.21 O ATOM 2259 HH TYR A 231 34.357 -0.484 9.599 1.00 0.00 H ATOM 2260 H TYR A 231 39.821 -1.281 5.906 1.00 0.00 H ATOM 2261 N ASP A 232 42.964 -1.394 6.713 1.00 21.58 N ATOM 2262 CA ASP A 232 44.346 -1.876 6.809 1.00 23.69 C ATOM 2263 C ASP A 232 45.197 -1.476 5.599 1.00 24.50 C ATOM 2264 O ASP A 232 44.695 -1.376 4.479 1.00 24.41 O ATOM 2265 CB ASP A 232 44.368 -3.406 7.010 1.00 24.32 C ATOM 2266 CG ASP A 232 43.591 -4.179 5.915 1.00 25.83 C ATOM 2267 OD1 ASP A 232 42.620 -3.648 5.303 1.00 25.26 O ATOM 2268 OD2 ASP A 232 43.934 -5.365 5.696 1.00 27.95 O ATOM 2269 H ASP A 232 42.433 -1.540 5.830 1.00 0.00 H ATOM 2270 N LYS A 233 46.495 -1.361 5.790 1.00 21.18 N ATOM 2271 CA LYS A 233 47.414 -1.058 4.713 1.00 22.96 C ATOM 2272 C LYS A 233 47.442 -2.119 3.615 1.00 22.92 C ATOM 2273 O LYS A 233 47.574 -1.792 2.510 1.00 25.04 O ATOM 2274 CB LYS A 233 48.781 -0.691 5.215 1.00 27.95 C ATOM 2275 CG LYS A 233 49.613 -1.837 5.677 1.00 36.83 C ATOM 2276 CD LYS A 233 51.095 -1.500 5.491 1.00 45.85 C ATOM 2277 CE LYS A 233 51.392 -1.047 4.064 1.00 51.91 C ATOM 2278 NZ LYS A 233 52.824 -1.178 3.642 1.00 55.66 N ATOM 2279 HZ1 LYS A 233 53.423 -0.603 4.268 1.00 0.00 H ATOM 2280 HZ2 LYS A 233 53.113 -2.175 3.704 1.00 0.00 H ATOM 2281 HZ3 LYS A 233 52.927 -0.847 2.662 1.00 0.00 H ATOM 2282 H LYS A 233 46.874 -1.493 6.750 1.00 0.00 H ATOM 2283 N GLU A 236 47.230 -3.381 3.954 1.00 25.32 N ATOM 2284 CA GLU A 236 47.056 -4.501 3.034 1.00 24.42 C ATOM 2285 C GLU A 236 45.706 -4.462 2.187 1.00 27.69 C ATOM 2286 O GLU A 236 45.517 -5.239 1.309 1.00 22.78 O ATOM 2287 CB GLU A 236 47.072 -5.804 3.802 1.00 25.81 C ATOM 2288 CG GLU A 236 48.371 -6.193 4.461 1.00 29.88 C ATOM 2289 CD GLU A 236 48.521 -5.727 5.904 1.00 32.63 C ATOM 2290 OE1 GLU A 236 47.781 -4.888 6.367 1.00 30.64 O ATOM 2291 OE2 GLU A 236 49.391 -6.232 6.571 1.00 35.70 O ATOM 2292 H GLU A 236 47.183 -3.594 4.971 1.00 0.00 H ATOM 2293 N GLN A 237 44.784 -3.582 2.551 1.00 23.78 N ATOM 2294 CA GLN A 237 43.534 -3.377 1.863 1.00 23.08 C ATOM 2295 C GLN A 237 42.769 -4.667 1.718 1.00 23.21 C ATOM 2296 O GLN A 237 42.312 -4.957 0.685 1.00 23.34 O ATOM 2297 CB GLN A 237 43.755 -2.686 0.506 1.00 23.56 C ATOM 2298 CG GLN A 237 44.554 -1.409 0.561 1.00 25.72 C ATOM 2299 CD GLN A 237 44.525 -0.609 -0.729 1.00 27.62 C ATOM 2300 OE1 GLN A 237 44.343 0.567 -0.718 1.00 26.10 O ATOM 2301 NE2 GLN A 237 44.726 -1.275 -1.826 1.00 28.41 N ATOM 2302 HE22 GLN A 237 44.881 -2.303 -1.789 1.00 0.00 H ATOM 2303 HE21 GLN A 237 44.732 -0.780 -2.741 1.00 0.00 H ATOM 2304 H GLN A 237 44.976 -2.999 3.391 1.00 0.00 H ATOM 2305 N THR A 238 42.620 -5.416 2.801 1.00 23.40 N ATOM 2306 CA THR A 238 41.885 -6.671 2.747 1.00 24.03 C ATOM 2307 C THR A 238 40.466 -6.536 3.306 1.00 23.09 C ATOM 2308 O THR A 238 39.613 -7.388 3.049 1.00 23.13 O ATOM 2309 CB THR A 238 42.601 -7.799 3.513 1.00 25.79 C ATOM 2310 OG1 THR A 238 42.804 -7.397 4.871 1.00 25.92 O ATOM 2311 CG2 THR A 238 43.923 -8.141 2.876 1.00 26.72 C ATOM 2312 HG1 THR A 238 43.360 -6.578 4.892 1.00 0.00 H ATOM 2313 H THR A 238 43.034 -5.103 3.702 1.00 0.00 H ATOM 2314 N VAL A 239 40.229 -5.481 4.088 1.00 22.06 N ATOM 2315 CA VAL A 239 38.924 -5.235 4.683 1.00 20.40 C ATOM 2316 C VAL A 239 38.530 -3.794 4.394 1.00 19.14 C ATOM 2317 O VAL A 239 39.114 -2.855 4.950 1.00 18.32 O ATOM 2318 CB VAL A 239 38.895 -5.510 6.212 1.00 20.85 C ATOM 2319 CG1 VAL A 239 37.480 -5.339 6.750 1.00 19.92 C ATOM 2320 CG2 VAL A 239 39.420 -6.911 6.544 1.00 21.47 C ATOM 2321 H VAL A 239 41.003 -4.812 4.279 1.00 0.00 H ATOM 2322 N SER A 240 37.531 -3.629 3.522 1.00 18.53 N ATOM 2323 CA SER A 240 36.993 -2.318 3.199 1.00 17.55 C ATOM 2324 C SER A 240 36.438 -1.697 4.473 1.00 17.58 C ATOM 2325 O SER A 240 35.886 -2.409 5.341 1.00 17.56 O ATOM 2326 CB SER A 240 35.898 -2.422 2.125 1.00 17.35 C ATOM 2327 OG SER A 240 36.458 -2.766 0.864 1.00 17.37 O ATOM 2328 HG SER A 240 37.108 -2.070 0.592 1.00 0.00 H ATOM 2329 H SER A 240 37.125 -4.467 3.059 1.00 0.00 H ATOM 2330 N MET A 241 36.612 -0.386 4.607 1.00 17.01 N ATOM 2331 CA MET A 241 36.123 0.320 5.793 1.00 17.49 C ATOM 2332 C MET A 241 34.624 0.583 5.744 1.00 17.15 C ATOM 2333 O MET A 241 34.150 1.375 4.939 1.00 16.85 O ATOM 2334 CB MET A 241 36.896 1.629 6.024 1.00 16.95 C ATOM 2335 CG MET A 241 36.579 2.291 7.369 1.00 17.44 C ATOM 2336 SD MET A 241 37.466 3.846 7.556 1.00 17.62 S ATOM 2337 CE MET A 241 39.106 3.208 7.901 1.00 16.94 C ATOM 2338 H MET A 241 37.102 0.145 3.859 1.00 0.00 H ATOM 2339 N LYS A 242 33.895 -0.117 6.615 1.00 18.01 N ATOM 2340 CA LYS A 242 32.449 0.028 6.805 1.00 18.07 C ATOM 2341 C LYS A 242 32.092 -0.678 8.128 1.00 18.32 C ATOM 2342 O LYS A 242 32.913 -1.419 8.683 1.00 18.56 O ATOM 2343 CB LYS A 242 31.659 -0.582 5.638 1.00 19.20 C ATOM 2344 CG LYS A 242 31.887 -2.088 5.466 1.00 21.09 C ATOM 2345 CD LYS A 242 30.851 -2.747 4.572 1.00 23.96 C ATOM 2346 CE LYS A 242 31.148 -4.241 4.456 1.00 27.67 C ATOM 2347 NZ LYS A 242 29.998 -5.034 3.913 1.00 31.52 N ATOM 2348 HZ1 LYS A 242 29.176 -4.925 4.541 1.00 0.00 H ATOM 2349 HZ2 LYS A 242 29.757 -4.687 2.962 1.00 0.00 H ATOM 2350 HZ3 LYS A 242 30.265 -6.038 3.860 1.00 0.00 H ATOM 2351 H LYS A 242 34.390 -0.818 7.203 1.00 0.00 H ATOM 2352 N ASP A 243 30.881 -0.442 8.632 1.00 18.03 N ATOM 2353 CA ASP A 243 30.446 -0.979 9.943 1.00 17.91 C ATOM 2354 C ASP A 243 31.436 -0.607 11.046 1.00 17.02 C ATOM 2355 O ASP A 243 31.649 -1.368 11.983 1.00 18.06 O ATOM 2356 CB ASP A 243 30.231 -2.500 9.888 1.00 18.71 C ATOM 2357 CG ASP A 243 29.150 -2.910 8.899 1.00 20.73 C ATOM 2358 OD1 ASP A 243 28.093 -2.249 8.837 1.00 22.51 O ATOM 2359 OD2 ASP A 243 29.358 -3.908 8.177 1.00 23.83 O ATOM 2360 H ASP A 243 30.216 0.141 8.085 1.00 0.00 H ATOM 2361 N ASN A 244 32.083 0.544 10.890 1.00 16.58 N ATOM 2362 CA ASN A 244 32.884 1.115 11.954 1.00 16.14 C ATOM 2363 C ASN A 244 31.974 1.745 13.019 1.00 16.31 C ATOM 2364 O ASN A 244 32.059 2.952 13.301 1.00 16.05 O ATOM 2365 CB ASN A 244 33.934 2.103 11.418 1.00 15.73 C ATOM 2366 CG ASN A 244 33.352 3.169 10.474 1.00 15.38 C ATOM 2367 OD1 ASN A 244 32.227 3.060 9.986 1.00 19.22 O ATOM 2368 ND2 ASN A 244 34.137 4.199 10.210 1.00 12.99 N ATOM 2369 HD22 ASN A 244 35.082 4.257 10.641 1.00 0.00 H ATOM 2370 HD21 ASN A 244 33.810 4.952 9.571 1.00 0.00 H ATOM 2371 H ASN A 244 32.012 1.047 9.982 1.00 0.00 H ATOM 2372 N VAL A 245 31.149 0.885 13.616 1.00 19.74 N ATOM 2373 CA VAL A 245 30.040 1.266 14.494 1.00 19.27 C ATOM 2374 C VAL A 245 30.097 0.457 15.797 1.00 18.00 C ATOM 2375 O VAL A 245 30.169 -0.779 15.780 1.00 19.04 O ATOM 2376 CB VAL A 245 28.653 0.992 13.802 1.00 20.12 C ATOM 2377 CG1 VAL A 245 27.499 1.212 14.775 1.00 20.16 C ATOM 2378 CG2 VAL A 245 28.460 1.893 12.582 1.00 21.81 C ATOM 2379 H VAL A 245 31.304 -0.129 13.446 1.00 0.00 H ATOM 2380 N ARG A 246 30.072 1.153 16.923 1.00 16.46 N ATOM 2381 CA ARG A 246 29.949 0.492 18.216 1.00 16.58 C ATOM 2382 C ARG A 246 28.491 0.050 18.434 1.00 16.89 C ATOM 2383 O ARG A 246 27.568 0.824 18.158 1.00 16.86 O ATOM 2384 CB ARG A 246 30.389 1.433 19.344 1.00 15.33 C ATOM 2385 CG ARG A 246 30.570 0.715 20.668 1.00 15.85 C ATOM 2386 CD ARG A 246 30.641 1.630 21.860 1.00 12.26 C ATOM 2387 NE ARG A 246 30.878 0.867 23.089 1.00 16.77 N ATOM 2388 CZ ARG A 246 31.060 1.397 24.298 1.00 18.83 C ATOM 2389 NH1 ARG A 246 31.007 2.718 24.483 1.00 18.78 N ATOM 2390 NH2 ARG A 246 31.297 0.604 25.335 1.00 18.12 N ATOM 2391 HE ARG A 246 30.906 -0.170 23.011 1.00 0.00 H ATOM 2392 HH12 ARG A 246 31.151 3.116 25.433 1.00 0.00 H ATOM 2393 HH11 ARG A 246 30.822 3.349 23.677 1.00 0.00 H ATOM 2394 HH22 ARG A 246 31.440 1.013 26.280 1.00 0.00 H ATOM 2395 HH21 ARG A 246 31.340 -0.427 25.202 1.00 0.00 H ATOM 2396 H ARG A 246 30.141 2.190 16.884 1.00 0.00 H ATOM 2397 N PRO A 247 28.270 -1.187 18.937 1.00 18.60 N ATOM 2398 CA PRO A 247 26.882 -1.606 19.229 1.00 18.82 C ATOM 2399 C PRO A 247 26.231 -0.752 20.331 1.00 18.40 C ATOM 2400 O PRO A 247 26.944 -0.085 21.103 1.00 17.54 O ATOM 2401 CB PRO A 247 27.022 -3.077 19.675 1.00 20.60 C ATOM 2402 CG PRO A 247 28.471 -3.274 19.986 1.00 20.86 C ATOM 2403 CD PRO A 247 29.245 -2.275 19.167 1.00 18.48 C ATOM 2404 N LEU A 248 24.892 -0.764 20.377 1.00 18.70 N ATOM 2405 CA LEU A 248 24.109 0.040 21.329 1.00 18.01 C ATOM 2406 C LEU A 248 24.351 -0.342 22.779 1.00 18.56 C ATOM 2407 O LEU A 248 24.426 -1.532 23.104 1.00 19.28 O ATOM 2408 CB LEU A 248 22.600 -0.079 21.063 1.00 19.09 C ATOM 2409 CG LEU A 248 22.033 0.504 19.772 1.00 18.15 C ATOM 2410 CD1 LEU A 248 20.570 0.114 19.604 1.00 20.50 C ATOM 2411 CD2 LEU A 248 22.208 2.016 19.731 1.00 14.80 C ATOM 2412 H LEU A 248 24.380 -1.372 19.706 1.00 0.00 H ATOM 2413 N GLN A 249 24.431 0.687 23.626 1.00 17.94 N ATOM 2414 CA GLN A 249 24.615 0.567 25.067 1.00 18.81 C ATOM 2415 C GLN A 249 23.307 0.889 25.799 1.00 20.51 C ATOM 2416 O GLN A 249 22.451 1.588 25.262 1.00 20.01 O ATOM 2417 CB GLN A 249 25.723 1.537 25.500 1.00 17.81 C ATOM 2418 CG GLN A 249 27.013 1.386 24.657 1.00 16.25 C ATOM 2419 CD GLN A 249 27.644 0.028 24.872 1.00 19.05 C ATOM 2420 OE1 GLN A 249 27.893 -0.360 26.017 1.00 21.08 O ATOM 2421 NE2 GLN A 249 27.872 -0.725 23.779 1.00 19.11 N ATOM 2422 HE22 GLN A 249 27.645 -0.353 22.835 1.00 0.00 H ATOM 2423 HE21 GLN A 249 28.275 -1.678 23.879 1.00 0.00 H ATOM 2424 H GLN A 249 24.357 1.645 23.228 1.00 0.00 H ATOM 2425 N GLN A 250 23.155 0.388 27.021 1.00 22.63 N ATOM 2426 CA GLN A 250 21.959 0.684 27.833 1.00 24.84 C ATOM 2427 C GLN A 250 21.992 2.097 28.422 1.00 23.98 C ATOM 2428 O GLN A 250 23.027 2.560 28.930 1.00 23.54 O ATOM 2429 CB GLN A 250 21.788 -0.321 28.977 1.00 27.32 C ATOM 2430 CG GLN A 250 21.489 -1.757 28.557 1.00 30.99 C ATOM 2431 CD GLN A 250 20.545 -1.836 27.363 1.00 34.43 C ATOM 2432 OE1 GLN A 250 20.936 -2.290 26.286 1.00 36.19 O ATOM 2433 NE2 GLN A 250 19.310 -1.369 27.539 1.00 35.35 N ATOM 2434 HE22 GLN A 250 19.023 -0.995 28.466 1.00 0.00 H ATOM 2435 HE21 GLN A 250 18.633 -1.379 26.750 1.00 0.00 H ATOM 2436 H GLN A 250 23.896 -0.227 27.414 1.00 0.00 H ATOM 2437 N LEU A 251 20.850 2.772 28.364 1.00 24.03 N ATOM 2438 CA LEU A 251 20.723 4.084 28.981 1.00 23.73 C ATOM 2439 C LEU A 251 20.888 3.993 30.511 1.00 25.60 C ATOM 2440 O LEU A 251 21.448 4.888 31.152 1.00 25.14 O ATOM 2441 CB LEU A 251 19.371 4.697 28.619 1.00 24.25 C ATOM 2442 CG LEU A 251 19.116 6.112 29.140 1.00 24.43 C ATOM 2443 CD1 LEU A 251 20.050 7.116 28.469 1.00 20.45 C ATOM 2444 CD2 LEU A 251 17.658 6.468 28.933 1.00 26.48 C ATOM 2445 H LEU A 251 20.034 2.357 27.870 1.00 0.00 H ATOM 2446 N GLY A 252 20.410 2.900 31.087 1.00 27.58 N ATOM 2447 CA GLY A 252 20.435 2.734 32.538 1.00 30.45 C ATOM 2448 C GLY A 252 19.668 3.839 33.225 1.00 31.02 C ATOM 2449 O GLY A 252 18.579 4.203 32.786 1.00 30.86 O ATOM 2450 H GLY A 252 20.009 2.145 30.494 1.00 0.00 H ATOM 2451 N GLN A 253 20.255 4.400 34.277 1.00 32.36 N ATOM 2452 CA GLN A 253 19.548 5.379 35.110 1.00 33.99 C ATOM 2453 C GLN A 253 19.566 6.826 34.592 1.00 31.54 C ATOM 2454 O GLN A 253 18.950 7.717 35.193 1.00 32.95 O ATOM 2455 CB GLN A 253 20.007 5.291 36.570 1.00 37.36 C ATOM 2456 CG GLN A 253 19.408 4.101 37.331 1.00 42.80 C ATOM 2457 CD GLN A 253 17.976 3.743 36.879 1.00 46.18 C ATOM 2458 OE1 GLN A 253 17.054 4.564 36.957 1.00 47.66 O ATOM 2459 NE2 GLN A 253 17.796 2.510 36.404 1.00 47.46 N ATOM 2460 HE22 GLN A 253 18.598 1.849 36.355 1.00 0.00 H ATOM 2461 HE21 GLN A 253 16.854 2.209 36.083 1.00 0.00 H ATOM 2462 H GLN A 253 21.234 4.140 34.514 1.00 0.00 H ATOM 2463 N ARG A 254 20.236 7.041 33.463 1.00 27.91 N ATOM 2464 CA ARG A 254 20.318 8.347 32.821 1.00 25.66 C ATOM 2465 C ARG A 254 18.994 8.817 32.179 1.00 25.78 C ATOM 2466 O ARG A 254 18.079 8.017 31.934 1.00 26.36 O ATOM 2467 CB ARG A 254 21.412 8.339 31.754 1.00 23.26 C ATOM 2468 CG ARG A 254 22.821 8.102 32.277 1.00 21.74 C ATOM 2469 CD ARG A 254 23.801 7.987 31.117 1.00 18.09 C ATOM 2470 NE ARG A 254 23.668 6.730 30.381 1.00 18.44 N ATOM 2471 CZ ARG A 254 24.358 6.426 29.282 1.00 17.78 C ATOM 2472 NH1 ARG A 254 25.237 7.295 28.786 1.00 15.14 N ATOM 2473 NH2 ARG A 254 24.205 5.235 28.704 1.00 16.12 N ATOM 2474 HE ARG A 254 22.990 6.027 30.739 1.00 0.00 H ATOM 2475 HH12 ARG A 254 25.775 7.058 27.928 1.00 0.00 H ATOM 2476 HH11 ARG A 254 25.385 8.211 29.256 1.00 0.00 H ATOM 2477 HH22 ARG A 254 24.744 5.000 27.846 1.00 0.00 H ATOM 2478 HH21 ARG A 254 23.546 4.541 29.110 1.00 0.00 H ATOM 2479 H ARG A 254 20.725 6.239 33.017 1.00 0.00 H ATOM 2480 N THR A 255 18.932 10.119 31.901 1.00 24.64 N ATOM 2481 CA THR A 255 17.782 10.768 31.283 1.00 25.00 C ATOM 2482 C THR A 255 18.213 11.424 29.973 1.00 22.85 C ATOM 2483 O THR A 255 19.296 12.023 29.882 1.00 21.97 O ATOM 2484 CB THR A 255 17.182 11.829 32.243 1.00 26.32 C ATOM 2485 OG1 THR A 255 16.740 11.173 33.437 1.00 30.26 O ATOM 2486 CG2 THR A 255 16.005 12.559 31.628 1.00 27.01 C ATOM 2487 HG1 THR A 255 16.355 11.842 34.057 1.00 0.00 H ATOM 2488 H THR A 255 19.755 10.709 32.140 1.00 0.00 H ATOM 2489 N VAL A 256 17.377 11.269 28.953 1.00 21.95 N ATOM 2490 CA VAL A 256 17.569 11.947 27.688 1.00 20.22 C ATOM 2491 C VAL A 256 16.586 13.112 27.651 1.00 20.73 C ATOM 2492 O VAL A 256 15.406 12.940 27.935 1.00 21.69 O ATOM 2493 CB VAL A 256 17.331 10.996 26.493 1.00 20.02 C ATOM 2494 CG1 VAL A 256 17.425 11.751 25.191 1.00 19.08 C ATOM 2495 CG2 VAL A 256 18.336 9.861 26.522 1.00 18.26 C ATOM 2496 H VAL A 256 16.557 10.640 29.066 1.00 0.00 H ATOM 2497 N ILE A 257 17.098 14.299 27.338 1.00 19.86 N ATOM 2498 CA ILE A 257 16.262 15.495 27.167 1.00 20.75 C ATOM 2499 C ILE A 257 16.243 16.008 25.724 1.00 20.28 C ATOM 2500 O ILE A 257 17.035 15.572 24.895 1.00 20.04 O ATOM 2501 CB ILE A 257 16.612 16.616 28.177 1.00 20.92 C ATOM 2502 CG1 ILE A 257 18.096 16.980 28.125 1.00 19.58 C ATOM 2503 CG2 ILE A 257 16.183 16.181 29.605 1.00 23.64 C ATOM 2504 CD1 ILE A 257 18.479 18.167 29.023 1.00 20.83 C ATOM 2505 H ILE A 257 18.127 14.384 27.210 1.00 0.00 H ATOM 2506 N LYS A 258 15.312 16.910 25.420 1.00 21.32 N ATOM 2507 CA LYS A 258 15.250 17.508 24.085 1.00 21.88 C ATOM 2508 C LYS A 258 14.878 18.982 24.138 1.00 22.72 C ATOM 2509 O LYS A 258 14.229 19.435 25.084 1.00 23.06 O ATOM 2510 CB LYS A 258 14.298 16.728 23.159 1.00 22.77 C ATOM 2511 CG LYS A 258 12.828 16.719 23.566 1.00 25.35 C ATOM 2512 CD LYS A 258 12.023 15.714 22.729 1.00 27.66 C ATOM 2513 CE LYS A 258 10.518 15.936 22.865 1.00 30.64 C ATOM 2514 NZ LYS A 258 9.693 14.861 22.215 1.00 33.57 N ATOM 2515 HZ1 LYS A 258 9.913 14.824 21.199 1.00 0.00 H ATOM 2516 HZ2 LYS A 258 9.914 13.944 22.653 1.00 0.00 H ATOM 2517 HZ3 LYS A 258 8.683 15.074 22.345 1.00 0.00 H ATOM 2518 H LYS A 258 14.619 17.194 26.141 1.00 0.00 H ATOM 2519 N SER A 259 15.291 19.724 23.114 1.00 23.12 N ATOM 2520 CA SER A 259 14.881 21.117 22.961 1.00 24.77 C ATOM 2521 C SER A 259 13.388 21.218 22.605 1.00 27.08 C ATOM 2522 O SER A 259 12.807 20.266 22.096 1.00 27.93 O ATOM 2523 CB SER A 259 15.740 21.808 21.902 1.00 25.28 C ATOM 2524 OG SER A 259 15.612 21.173 20.645 1.00 24.32 O ATOM 2525 OXT SER A 259 12.698 22.230 22.817 1.00 28.76 O ATOM 2526 HG SER A 259 16.178 21.641 19.981 1.00 0.00 H ATOM 2527 H SER A 259 15.922 19.301 22.404 1.00 0.00 H TER 2528 SER A 259 HETATM 2529 ZN ZN A 1 32.375 9.024 16.349 1.00 17.14 ZN HETATM 2530 O HOH 2 37.960 -0.229 -2.614 1.00 12.82 O HETATM 2531 O HOH 3 18.157 0.560 28.035 1.00 40.24 O HETATM 2532 O HOH 4 18.614 11.288 1.399 1.00 31.98 O HETATM 2533 O HOH 5 15.852 17.628 -3.929 1.00 36.79 O HETATM 2534 O HOH 6 37.434 17.993 -4.732 1.00 30.54 O HETATM 2535 O HOH 7 39.115 21.413 27.490 1.00 35.74 O HETATM 2536 O HOH 8 29.966 4.764 34.890 1.00 37.29 O HETATM 2537 O HOH 9 14.526 12.539 12.576 1.00 39.58 O HETATM 2538 O HOH 10 35.111 5.625 -8.547 1.00 33.95 O HETATM 2539 O HOH 11 34.010 26.121 7.879 1.00 26.53 O HETATM 2540 O HOH 12 13.877 23.989 24.212 1.00 33.33 O HETATM 2541 O HOH 13 40.201 24.856 40.095 1.00 64.61 O HETATM 2542 O HOH 14 14.807 21.336 13.959 1.00 34.46 O HETATM 2543 O HOH 15 21.016 29.234 22.873 1.00 23.42 O HETATM 2544 O HOH 16 28.327 -0.731 29.567 1.00 50.11 O HETATM 2545 O HOH 17 25.844 4.265 -10.949 1.00 38.45 O HETATM 2546 O HOH 18 24.035 1.663 32.108 1.00 34.69 O HETATM 2547 O HOH 19 13.516 13.152 29.664 1.00 41.17 O HETATM 2548 O HOH 20 33.512 4.669 -5.381 1.00 28.20 O HETATM 2549 O HOH 21 24.361 -3.930 22.161 1.00 33.80 O HETATM 2550 O HOH 22 17.512 18.963 14.035 1.00 20.70 O HETATM 2551 O HOH 23 37.146 -0.437 -0.018 1.00 16.81 O HETATM 2552 O HOH 24 25.708 13.683 36.295 1.00 59.91 O HETATM 2553 O HOH 25 25.398 30.267 14.217 1.00 24.25 O HETATM 2554 O HOH 26 47.157 -4.383 26.274 1.00 55.15 O HETATM 2555 O HOH 27 25.082 1.213 17.546 1.00 19.23 O HETATM 2556 O HOH 28 30.437 23.795 33.522 1.00 39.74 O HETATM 2557 O HOH 29 31.581 10.699 34.128 1.00 45.53 O HETATM 2558 O HOH 30 39.161 -0.015 13.463 1.00 28.11 O HETATM 2559 O HOH 31 25.050 2.839 5.195 1.00 15.98 O HETATM 2560 O HOH 32 46.451 -7.557 0.525 1.00 39.92 O HETATM 2561 O HOH 33 24.001 1.088 12.677 1.00 22.39 O HETATM 2562 O HOH 34 9.049 12.016 17.963 1.00 49.97 O HETATM 2563 O HOH 35 49.368 2.591 5.991 1.00 47.89 O HETATM 2564 O HOH 36 36.902 9.812 -4.020 1.00 40.28 O HETATM 2565 O HOH 37 9.014 7.872 20.543 1.00 35.15 O HETATM 2566 O HOH 38 24.004 24.010 6.430 1.00 34.94 O HETATM 2567 O HOH 39 29.975 21.350 33.714 1.00 42.41 O HETATM 2568 O HOH 40 38.428 27.696 18.632 1.00 67.21 O HETATM 2569 O HOH 41 33.862 26.582 31.666 1.00 39.77 O HETATM 2570 O HOH 42 26.940 17.782 22.386 1.00 14.51 O HETATM 2571 O HOH 43 29.802 5.310 -5.282 1.00 24.15 O HETATM 2572 O HOH 44 42.371 24.465 7.840 1.00 52.05 O HETATM 2573 O HOH 45 33.502 20.285 3.916 1.00 35.81 O HETATM 2574 O HOH 46 38.347 17.384 -2.298 1.00 22.86 O HETATM 2575 O HOH 47 35.533 23.287 -3.586 1.00 44.82 O HETATM 2576 O HOH 48 40.610 25.192 33.832 1.00 46.78 O HETATM 2577 O HOH 49 32.853 3.729 17.430 1.00 22.06 O HETATM 2578 O HOH 50 20.831 14.527 12.482 1.00 16.57 O HETATM 2579 O HOH 51 40.390 -4.488 -2.427 1.00 21.28 O HETATM 2580 O HOH 52 22.028 11.948 30.469 1.00 19.77 O HETATM 2581 O HOH 53 8.797 1.992 29.394 1.00 62.58 O HETATM 2582 O HOH 54 35.549 -0.786 31.702 1.00 29.22 O HETATM 2583 O HOH 55 13.128 7.369 13.635 1.00 40.53 O HETATM 2584 O HOH 56 39.282 15.552 21.803 1.00 37.86 O HETATM 2585 O HOH 57 29.341 2.857 2.320 1.00 15.00 O HETATM 2586 O HOH 58 42.561 21.031 8.405 1.00 23.78 O HETATM 2587 O HOH 59 19.404 12.075 -8.573 1.00 20.54 O HETATM 2588 O HOH 60 40.172 -11.800 13.420 1.00 34.72 O HETATM 2589 O HOH 61 42.690 -11.198 20.580 1.00 49.55 O HETATM 2590 O HOH 62 29.407 28.020 3.989 1.00 33.27 O HETATM 2591 O HOH 63 29.712 -1.833 27.562 1.00 27.93 O HETATM 2592 O HOH 64 42.582 19.345 14.798 1.00 36.25 O HETATM 2593 O HOH 65 18.446 29.657 13.619 1.00 52.81 O HETATM 2594 O HOH 66 36.892 27.979 9.974 1.00 32.62 O HETATM 2595 O HOH 67 29.516 12.143 30.514 1.00 20.21 O HETATM 2596 O HOH 68 31.262 -3.905 12.922 1.00 20.68 O HETATM 2597 O HOH 69 39.308 -7.230 27.509 1.00 52.47 O HETATM 2598 O HOH 70 20.706 -6.541 8.684 1.00 65.24 O HETATM 2599 O HOH 71 32.879 18.559 1.673 1.00 29.73 O HETATM 2600 O HOH 72 15.056 -1.789 15.420 1.00 32.62 O HETATM 2601 O HOH 73 23.174 -0.397 -0.398 1.00 26.87 O HETATM 2602 O HOH 74 40.223 5.001 20.055 1.00 30.87 O HETATM 2603 O HOH 75 21.460 16.369 -0.366 1.00 39.84 O HETATM 2604 O HOH 76 43.148 -9.588 6.490 1.00 33.20 O HETATM 2605 O HOH 77 18.872 1.221 -1.658 1.00 40.28 O HETATM 2606 O HOH 78 34.351 -4.656 4.909 1.00 35.39 O HETATM 2607 O HOH 79 43.362 8.842 15.550 1.00 40.57 O HETATM 2608 O HOH 80 16.712 4.306 25.510 1.00 41.83 O HETATM 2609 O HOH 81 41.612 7.932 29.325 1.00 43.23 O HETATM 2610 O HOH 82 25.025 18.986 3.783 1.00 29.98 O HETATM 2611 O HOH 83 19.533 26.397 14.696 1.00 37.87 O HETATM 2612 O HOH 84 24.278 6.493 35.772 1.00 32.66 O HETATM 2613 O HOH 85 46.266 25.634 10.959 1.00 61.86 O HETATM 2614 O HOH 86 20.973 9.832 -9.174 1.00 28.76 O HETATM 2615 O HOH 87 49.313 -0.298 -2.727 1.00 46.43 O HETATM 2616 O HOH 88 18.818 0.599 34.660 1.00 41.45 O HETATM 2617 O HOH 89 48.049 -3.351 8.679 1.00 43.57 O HETATM 2618 O HOH 90 26.969 -1.259 11.196 1.00 33.70 O HETATM 2619 O HOH 91 15.471 2.254 23.979 1.00 24.86 O HETATM 2620 O HOH 92 19.923 1.908 24.103 1.00 18.54 O HETATM 2621 O HOH 93 7.588 14.585 24.041 1.00 62.98 O HETATM 2622 O HOH 94 31.206 -3.385 15.758 1.00 16.69 O HETATM 2623 O HOH 95 16.659 25.189 20.012 1.00 26.50 O HETATM 2624 O HOH 96 17.161 0.872 11.148 1.00 39.14 O HETATM 2625 O HOH 97 20.215 15.808 -6.506 1.00 24.97 O HETATM 2626 O HOH 98 31.478 -1.930 23.394 1.00 23.51 O HETATM 2627 O HOH 99 39.851 24.565 29.162 1.00 37.59 O HETATM 2628 O HOH 100 42.150 -0.668 11.982 1.00 33.74 O HETATM 2629 O HOH 101 42.216 26.670 4.791 1.00 49.46 O HETATM 2630 O HOH 102 37.909 -10.446 20.354 1.00 24.27 O HETATM 2631 O HOH 103 20.292 25.204 16.897 1.00 26.56 O HETATM 2632 O HOH 104 18.871 18.106 5.419 1.00 51.24 O HETATM 2633 O HOH 105 28.280 32.670 16.061 1.00 42.20 O HETATM 2634 O HOH 106 18.603 0.772 30.530 1.00 34.33 O HETATM 2635 O HOH 107 15.753 9.358 1.743 1.00 38.89 O HETATM 2636 O HOH 108 15.143 6.671 25.241 1.00 31.68 O HETATM 2637 O HOH 109 15.458 7.015 -2.379 1.00 33.93 O HETATM 2638 O HOH 110 42.776 28.014 20.692 1.00 46.68 O HETATM 2639 O HOH 111 27.386 28.046 25.460 1.00 36.44 O HETATM 2640 O HOH 112 11.280 8.766 14.662 1.00 30.96 O HETATM 2641 O HOH 113 24.600 20.574 0.476 1.00 42.92 O HETATM 2642 O HOH 114 13.564 18.569 19.895 1.00 29.84 O HETATM 2643 O HOH 115 19.101 5.988 5.367 1.00 29.83 O HETATM 2644 O HOH 116 18.814 27.862 7.700 1.00 55.20 O HETATM 2645 O HOH 117 29.720 29.849 11.724 1.00 30.64 O HETATM 2646 O HOH 118 39.780 15.180 19.328 1.00 42.26 O HETATM 2647 O HOH 119 42.033 -7.850 12.432 1.00 32.56 O HETATM 2648 O HOH 120 20.927 27.384 25.213 1.00 30.91 O HETATM 2649 O HOH 121 18.768 2.315 26.413 1.00 24.26 O HETATM 2650 O HOH 122 6.409 2.330 27.199 1.00 54.53 O HETATM 2651 O HOH 123 21.655 27.846 14.797 1.00 35.90 O HETATM 2652 O HOH 124 40.737 -2.237 24.783 1.00 36.39 O HETATM 2653 O HOH 125 23.676 4.326 34.409 1.00 32.58 O HETATM 2654 O HOH 126 34.912 31.820 3.196 1.00 38.70 O HETATM 2655 O HOH 127 36.898 -8.406 3.148 1.00 37.64 O HETATM 2656 O HOH 128 35.467 7.520 32.327 1.00 30.17 O HETATM 2657 O HOH 129 22.584 19.839 28.734 1.00 22.69 O HETATM 2658 O HOH 130 19.418 11.695 -0.851 1.00 20.43 O HETATM 2659 O HOH 131 17.584 0.398 18.082 1.00 25.81 O HETATM 2660 O HOH 132 26.051 2.162 29.442 1.00 32.20 O HETATM 2661 O HOH 133 31.354 16.960 35.903 1.00 52.67 O HETATM 2662 O HOH 134 32.349 33.349 6.465 1.00 44.06 O HETATM 2663 O HOH 135 23.523 -2.555 18.487 1.00 19.52 O HETATM 2664 O HOH 136 24.911 22.460 3.073 1.00 57.44 O HETATM 2665 O HOH 137 44.766 -6.528 16.379 1.00 34.73 O HETATM 2666 O HOH 138 38.910 24.132 24.343 1.00 32.08 O HETATM 2667 O HOH 139 49.535 -6.673 25.979 1.00 42.62 O HETATM 2668 O HOH 140 43.636 23.090 9.472 1.00 62.10 O HETATM 2669 O HOH 141 10.528 14.639 19.381 1.00 51.43 O HETATM 2670 O HOH 142 31.553 -7.438 20.040 1.00 30.88 O HETATM 2671 O HOH 143 12.610 23.455 20.111 1.00 48.56 O HETATM 2672 O HOH 144 14.880 9.683 29.262 1.00 29.14 O HETATM 2673 O HOH 145 34.623 28.892 36.361 1.00 58.31 O HETATM 2674 O HOH 146 25.661 -0.732 28.187 1.00 33.34 O HETATM 2675 O HOH 147 20.489 18.435 -4.530 1.00 55.29 O HETATM 2676 O HOH 148 43.685 -7.204 30.177 1.00 50.75 O HETATM 2677 O HOH 149 29.135 -3.436 23.898 1.00 22.37 O HETATM 2678 O HOH 150 13.644 18.964 12.574 1.00 41.48 O HETATM 2679 O HOH 151 21.879 18.413 -6.352 1.00 37.16 O HETATM 2680 O HOH 152 16.822 5.588 3.282 1.00 37.95 O HETATM 2681 O HOH 153 38.427 7.391 25.470 1.00 30.00 O HETATM 2682 O HOH 154 35.806 -6.034 2.884 1.00 37.45 O HETATM 2683 O HOH 155 20.347 6.471 -4.969 1.00 33.54 O HETATM 2684 O HOH 156 42.798 7.427 27.062 1.00 43.81 O HETATM 2685 O HOH 157 42.788 -3.236 23.354 1.00 36.82 O HETATM 2686 O HOH 158 46.814 17.163 -0.585 1.00 37.99 O HETATM 2687 O HOH 159 39.944 24.343 -3.806 1.00 37.78 O HETATM 2688 O HOH 160 11.286 22.984 30.631 1.00 50.65 O HETATM 2689 O HOH 161 20.976 17.740 3.675 1.00 27.07 O HETATM 2690 O HOH 162 23.338 20.171 -2.471 1.00 27.79 O HETATM 2691 O HOH 163 24.108 15.468 35.121 1.00 55.64 O HETATM 2692 O HOH 164 34.767 24.915 34.233 1.00 40.53 O HETATM 2693 O HOH 165 14.449 8.781 25.623 1.00 37.59 O HETATM 2694 O HOH 166 19.551 14.737 31.392 1.00 27.60 O HETATM 2695 O HOH 167 38.304 7.433 22.568 1.00 25.69 O HETATM 2696 O HOH 168 43.746 -1.398 21.765 1.00 37.42 O HETATM 2697 O HOH 169 34.889 22.649 33.665 1.00 38.86 O HETATM 2698 O HOH 170 17.109 29.978 21.570 1.00 32.88 O HETATM 2699 O HOH 171 41.049 -5.131 9.772 1.00 31.96 O HETATM 2700 O HOH 172 43.671 -1.836 14.758 1.00 47.13 O HETATM 2701 O HOH 173 47.182 -1.066 8.859 1.00 42.54 O HETATM 2702 O HOH 174 8.165 20.337 13.997 1.00 42.45 O HETATM 2703 O HOH 175 40.901 7.229 23.880 1.00 39.62 O HETATM 2704 O HOH 176 11.935 16.455 18.394 1.00 50.20 O HETATM 2705 O HOH 177 30.274 1.793 36.273 1.00 45.04 O HETATM 2706 O HOH 178 26.345 19.917 30.225 1.00 45.96 O HETATM 2707 O HOH 179 40.999 16.249 -2.602 1.00 34.30 O HETATM 2708 O HOH 180 16.419 2.608 1.205 1.00 44.32 O HETATM 2709 O HOH 181 22.983 26.949 6.735 1.00 49.95 O HETATM 2710 O HOH 182 23.139 3.421 2.425 1.00 33.00 O HETATM 2711 O HOH 183 16.233 5.511 8.677 1.00 36.66 O HETATM 2712 O HOH 184 41.321 0.327 26.129 1.00 28.41 O HETATM 2713 O HOH 185 36.119 29.983 16.134 1.00 50.06 O HETATM 2714 O HOH 186 25.362 -0.890 36.482 1.00 43.49 O HETATM 2715 O HOH 187 28.091 17.351 33.754 1.00 60.92 O HETATM 2716 O HOH 188 41.544 30.386 9.576 1.00 44.29 O HETATM 2717 O HOH 189 25.411 2.603 2.448 1.00 30.25 O HETATM 2718 O HOH 190 7.996 22.811 17.643 1.00 64.26 O HETATM 2719 O HOH 191 14.476 16.671 18.992 1.00 44.02 O HETATM 2720 O HOH 192 17.981 -2.171 24.487 1.00 44.30 O HETATM 2721 O HOH 193 35.083 8.189 -4.310 1.00 42.29 O HETATM 2722 O HOH 194 21.365 15.754 32.268 1.00 42.11 O HETATM 2723 O HOH 195 16.382 14.327 -0.423 1.00 55.41 O HETATM 2724 O HOH 196 43.063 -0.830 28.533 1.00 50.95 O HETATM 2725 O HOH 197 7.984 16.791 19.904 1.00 54.55 O HETATM 2726 O HOH 198 43.744 3.726 18.847 1.00 38.83 O HETATM 2727 O HOH 199 25.469 9.818 -8.268 1.00 45.52 O HETATM 2728 O HOH 200 42.425 -5.667 11.704 1.00 36.26 O HETATM 2729 O HOH 201 23.947 -0.914 16.242 1.00 38.62 O HETATM 2730 O HOH 202 27.375 29.910 11.228 1.00 45.18 O HETATM 2731 O HOH 203 46.158 23.357 3.979 1.00 47.51 O HETATM 2732 O HOH 204 29.439 -7.198 9.456 1.00 40.19 O HETATM 2733 O HOH 205 36.615 29.645 41.419 1.00 61.66 O HETATM 2734 O HOH 206 27.173 -2.814 15.882 1.00 34.88 O HETATM 2735 O HOH 207 29.543 -4.168 26.380 1.00 36.15 O HETATM 2736 O HOH 208 47.632 1.395 20.295 1.00 67.08 O HETATM 2737 O HOH 209 20.930 8.880 38.166 1.00 49.53 O HETATM 2738 O HOH 210 42.753 -3.165 29.088 1.00 48.01 O HETATM 2739 O HOH 211 24.587 -3.409 26.441 1.00 46.17 O HETATM 2740 O HOH 212 9.213 24.022 15.679 1.00 51.00 O HETATM 2741 O HOH 213 31.365 7.403 -6.110 1.00 36.19 O HETATM 2742 O HOH 214 31.458 26.454 33.377 1.00 62.30 O HETATM 2743 O HOH 215 7.581 12.344 28.616 1.00 43.99 O HETATM 2744 O HOH 216 7.721 20.856 19.656 1.00 57.45 O HETATM 2745 O HOH 217 48.819 9.835 10.367 1.00 46.18 O HETATM 2746 O HOH 218 41.296 24.850 31.155 1.00 61.90 O HETATM 2747 O HOH 219 27.621 -3.029 12.766 1.00 44.66 O HETATM 2748 O HOH 220 26.614 10.674 -6.373 1.00 34.92 O HETATM 2749 O HOH 221 21.670 15.486 29.976 1.00 29.00 O HETATM 2750 O HOH 222 11.679 25.259 15.221 1.00 57.76 O HETATM 2751 O HOH 223 29.128 -5.302 12.268 1.00 33.18 O HETATM 2752 O HOH 224 21.456 0.443 35.029 1.00 50.16 O HETATM 2753 O HOH 225 27.746 23.082 34.290 1.00 45.94 O HETATM 2754 O HOH 226 29.377 -5.073 16.826 1.00 37.22 O HETATM 2755 O HOH 227 17.232 0.265 -0.106 1.00 51.40 O HETATM 2756 O HOH 228 43.666 -5.364 14.099 1.00 41.44 O HETATM 2757 O HOH 229 19.335 21.845 -2.470 1.00 42.99 O HETATM 2758 CAT TOR A 230 39.787 10.555 20.873 1.00 -0.01 C HETATM 2759 CAU TOR A 230 38.497 10.698 20.072 1.00 0.17 C HETATM 2760 CAV TOR A 230 37.798 11.995 20.464 1.00 -0.01 C HETATM 2761 H4 TOR A 230 36.867 12.099 19.887 1.00 0.03 H HETATM 2762 H5 TOR A 230 38.459 12.847 20.250 1.00 0.03 H HETATM 2763 H6 TOR A 230 37.563 11.975 21.538 1.00 0.03 H HETATM 2764 OAR TOR A 230 37.666 9.536 20.221 1.00 -0.31 O HETATM 2765 CAL TOR A 230 37.315 8.940 18.956 1.00 0.23 C HETATM 2766 CAK TOR A 230 37.740 10.034 17.980 1.00 0.15 C HETATM 2767 OAQ TOR A 230 38.770 10.754 18.667 1.00 -0.34 O HETATM 2768 CAG TOR A 230 38.275 9.561 16.639 1.00 0.12 C HETATM 2769 OAF TOR A 230 37.208 9.056 15.855 1.00 -0.34 O HETATM 2770 CAE TOR A 230 37.700 8.040 15.015 1.00 0.17 C HETATM 2771 CAD TOR A 230 38.031 8.628 13.643 1.00 -0.01 C HETATM 2772 H9 TOR A 230 37.109 8.998 13.171 1.00 0.03 H HETATM 2773 H10 TOR A 230 38.481 7.850 13.009 1.00 0.03 H HETATM 2774 H11 TOR A 230 38.741 9.460 13.762 1.00 0.03 H HETATM 2775 CAJ TOR A 230 36.617 6.967 14.899 1.00 -0.01 C HETATM 2776 H12 TOR A 230 36.973 6.156 14.246 1.00 0.03 H HETATM 2777 H13 TOR A 230 35.706 7.410 14.470 1.00 0.03 H HETATM 2778 H14 TOR A 230 36.393 6.563 15.897 1.00 0.03 H HETATM 2779 OAA TOR A 230 38.885 7.546 15.662 1.00 -0.34 O HETATM 2780 CAB TOR A 230 39.292 8.437 16.710 1.00 0.11 C HETATM 2781 CAC TOR A 230 39.319 7.779 18.090 1.00 0.08 C HETATM 2782 OAH TOR A 230 38.018 7.714 18.698 1.00 -0.34 O HETATM 2783 H16 TOR A 230 39.985 8.361 18.744 1.00 0.06 H HETATM 2784 H17 TOR A 230 39.710 6.756 17.985 1.00 0.06 H HETATM 2785 H15 TOR A 230 40.299 8.826 16.497 1.00 0.06 H HETATM 2786 H8 TOR A 230 38.736 10.423 16.134 1.00 0.07 H HETATM 2787 H7 TOR A 230 36.879 10.692 17.789 1.00 0.07 H HETATM 2788 CAM TOR A 230 35.822 8.607 18.899 1.00 0.13 C HETATM 2789 OAN TOR A 230 34.983 9.754 19.017 1.00 -0.22 O HETATM 2790 SAO TOR A 230 33.451 9.604 19.168 1.00 0.16 S HETATM 2791 OAS TOR A 230 33.137 9.143 20.526 1.00 -0.13 O HETATM 2792 OAI TOR A 230 32.840 10.894 18.821 1.00 -0.13 O HETATM 2793 NAP TOR A 230 32.915 8.507 18.260 1.00 -0.24 N HETATM 2794 H20 TOR A 230 31.937 8.298 18.252 1.00 0.17 H HETATM 2795 H21 TOR A 230 33.541 7.995 17.671 1.00 0.17 H HETATM 2796 H18 TOR A 230 35.587 7.916 19.722 1.00 0.06 H HETATM 2797 H19 TOR A 230 35.610 8.117 17.937 1.00 0.06 H HETATM 2798 H1 TOR A 230 39.550 10.514 21.946 1.00 0.03 H HETATM 2799 H2 TOR A 230 40.440 11.418 20.674 1.00 0.03 H HETATM 2800 H3 TOR A 230 40.302 9.630 20.576 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 59 58 174 CONECT 174 59 173 CONECT 263 262 1946 CONECT 942 940 941 2529 CONECT 962 960 961 2529 CONECT 1178 1177 1180 2529 CONECT 1280 1281 1288 1289 1290 CONECT 1288 1280 CONECT 1289 1280 CONECT 1290 1280 CONECT 1946 263 1945 CONECT 2529 942 962 1178 CONECT 2758 2759 2798 2799 2800 CONECT 2759 2758 2760 2764 2767 CONECT 2760 2759 2761 2762 2763 CONECT 2761 2760 CONECT 2762 2760 CONECT 2763 2760 CONECT 2764 2759 2765 CONECT 2765 2764 2766 2782 2788 CONECT 2766 2765 2767 2768 2787 CONECT 2767 2759 2766 CONECT 2768 2766 2769 2780 2786 CONECT 2769 2768 2770 CONECT 2770 2769 2771 2775 2779 CONECT 2771 2770 2772 2773 2774 CONECT 2772 2771 CONECT 2773 2771 CONECT 2774 2771 CONECT 2775 2770 2776 2777 2778 CONECT 2776 2775 CONECT 2777 2775 CONECT 2778 2775 CONECT 2779 2770 2780 CONECT 2780 2768 2779 2781 2785 CONECT 2781 2780 2782 2783 2784 CONECT 2782 2765 2781 CONECT 2783 2781 CONECT 2784 2781 CONECT 2785 2780 CONECT 2786 2768 CONECT 2787 2766 CONECT 2788 2765 2789 2796 2797 CONECT 2789 2788 2790 CONECT 2790 2789 2791 2792 2793 CONECT 2791 2790 CONECT 2792 2790 CONECT 2793 2790 2794 2795 CONECT 2794 2793 CONECT 2795 2793 CONECT 2796 2788 CONECT 2797 2788 CONECT 2798 2758 CONECT 2799 2758 CONECT 2800 2758 MASTER 0 0 0 0 0 0 0 0 2798 2 59 21 END
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Related entries of code: 5jna
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3hku
RCSB PDB
PDBbind
TOR
3lxe
RCSB PDB
PDBbind
TOR
Entry Information
PDB ID
5jna
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Carbonic anhydrase 4
Ligand Name
TOR
EC.Number
E.C.4.2.1.1
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=45nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur. Biophys. J. Vol. 47: pp. 271-290
Ligand Properties
Formula
C
1
2
H
2
1
NO
8
S
Molecular Weight
339.362
Exact Mass
339.099
No. of atoms
43
No. of bonds
45
Polar Surface Area
123.92
LOGP Value
-0.83 (
Computed with XLOGP3
)
1.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
NS(=O)(=O)OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC(O1)(C)C)OC(O3)(C)C
InChI String
InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/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):
P22748
Entrez Gene ID
NCBI Entrez Gene ID:
762
ASD
Information of known allosteric effects of PDB entries
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