Browse entries in the PDBbind-CN Database
HEADER 5CQX_COMPLEX COMPND 5CQX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 17 MET VAL SER ARG TYR VAL PRO ASP MET GLY ASP LEU ILE SEQRES 2 A 17 TRP VAL ASP PHE SEQRES 1 A 41 HIS ARG PRO ALA VAL VAL LEU SER PRO PHE MET TYR ASN SEQRES 2 A 41 ASN LYS THR GLY MET CYS LEU CYS VAL PRO CYS THR THR SEQRES 3 A 41 GLN SER LYS GLY TYR PRO PHE GLU VAL VAL LEU SER GLY SEQRES 4 A 41 GLN GLU SEQRES 1 A 49 GLY VAL ALA LEU ALA ASP GLN VAL LYS SER ILE ALA TRP SEQRES 2 A 49 ARG ALA ARG GLY ALA THR LYS LYS GLY THR VAL ALA PRO SEQRES 3 A 49 GLU GLU LEU GLN LEU ILE LYS ALA LYS ILE ASN VAL LEU SEQRES 4 A 49 ILE GLY LEU SER HIS HIS HIS HIS HIS HIS SEQRES 1 B 64 SER ARG TYR VAL PRO ASP MET GLY ASP LEU ILE TRP VAL SEQRES 2 B 64 ASP PHE ASP PRO THR LYS GLY SER ALA GLN ALA GLY HIS SEQRES 3 B 64 ARG PRO ALA VAL VAL LEU SER PRO PHE MET TYR ASN ASN SEQRES 4 B 64 LYS THR GLY MET CYS LEU CYS VAL PRO CYS THR THR GLN SEQRES 5 B 64 SER LYS GLY TYR PRO PHE GLU VAL VAL LEU SER GLY SEQRES 1 B 53 GLN GLU ARG ASP GLY VAL ALA LEU ALA ASP GLN VAL LYS SEQRES 2 B 53 SER ILE ALA TRP ARG ALA ARG GLY ALA THR LYS LYS GLY SEQRES 3 B 53 THR VAL ALA PRO GLU GLU LEU GLN LEU ILE LYS ALA LYS SEQRES 4 B 53 ILE ASN VAL LEU ILE GLY LEU SER HIS HIS HIS HIS HIS SEQRES 5 B 53 HIS HET HIS A 410 247 ATOM 1 C MET A 1 80.667 -59.052 -3.908 1.00 44.68 C ATOM 2 O MET A 1 79.651 -58.596 -3.393 1.00 45.30 O ATOM 3 N VAL A 2 81.721 -58.309 -4.217 1.00 45.00 N ATOM 4 CA VAL A 2 81.776 -56.890 -3.914 1.00 43.07 C ATOM 5 C VAL A 2 81.389 -56.623 -2.462 1.00 38.17 C ATOM 6 O VAL A 2 81.965 -57.194 -1.550 1.00 39.22 O ATOM 7 CB VAL A 2 80.877 -56.068 -4.853 1.00 44.93 C ATOM 8 H VAL A 2 82.532 -58.756 -4.690 1.00 0.00 H ATOM 9 N SER A 3 80.405 -55.755 -2.275 1.00 32.60 N ATOM 10 CA SER A 3 79.998 -55.293 -0.959 1.00 28.99 C ATOM 11 C SER A 3 78.766 -56.033 -0.480 1.00 26.05 C ATOM 12 O SER A 3 77.700 -55.916 -1.064 1.00 28.24 O ATOM 13 CB SER A 3 79.706 -53.800 -1.001 1.00 31.50 C ATOM 14 OG SER A 3 80.760 -53.105 -1.637 1.00 35.75 O ATOM 15 HG SER A 3 80.552 -52.137 -1.655 1.00 0.00 H ATOM 16 H SER A 3 79.902 -55.388 -3.108 1.00 0.00 H ATOM 17 N ARG A 4 78.927 -56.794 0.591 1.00 25.16 N ATOM 18 CA ARG A 4 77.829 -57.590 1.147 1.00 24.94 C ATOM 19 C ARG A 4 76.679 -56.736 1.683 1.00 22.86 C ATOM 20 O ARG A 4 76.895 -55.642 2.208 1.00 26.23 O ATOM 21 CB ARG A 4 78.335 -58.488 2.280 1.00 29.10 C ATOM 22 CG ARG A 4 79.345 -59.548 1.861 1.00 37.27 C ATOM 23 CD ARG A 4 78.664 -60.754 1.227 1.00 41.69 C ATOM 24 NE ARG A 4 79.603 -61.855 1.027 1.00 44.23 N ATOM 25 HE ARG A 4 80.598 -61.748 1.310 1.00 0.00 H ATOM 26 H ARG A 4 79.859 -56.828 1.051 1.00 0.00 H ATOM 27 N TYR A 5 75.463 -57.251 1.530 1.00 19.83 N ATOM 28 CA TYR A 5 74.268 -56.652 2.132 1.00 16.36 C ATOM 29 C TYR A 5 74.420 -56.603 3.645 1.00 17.93 C ATOM 30 O TYR A 5 74.817 -57.587 4.271 1.00 18.75 O ATOM 31 CB TYR A 5 73.032 -57.465 1.753 1.00 17.44 C ATOM 32 CG TYR A 5 71.858 -57.368 2.712 1.00 15.45 C ATOM 33 CD1 TYR A 5 71.118 -56.196 2.833 1.00 15.81 C ATOM 34 CD2 TYR A 5 71.468 -58.469 3.471 1.00 17.11 C ATOM 35 CE1 TYR A 5 70.034 -56.120 3.700 1.00 14.73 C ATOM 36 CE2 TYR A 5 70.377 -58.399 4.337 1.00 19.06 C ATOM 37 CZ TYR A 5 69.666 -57.227 4.444 1.00 17.55 C ATOM 38 OH TYR A 5 68.589 -57.158 5.317 1.00 18.85 O ATOM 39 HH TYR A 5 68.189 -56.253 5.275 1.00 0.00 H ATOM 40 H TYR A 5 75.355 -58.114 0.960 1.00 0.00 H ATOM 41 N VAL A 6 74.106 -55.449 4.222 1.00 13.58 N ATOM 42 CA VAL A 6 74.105 -55.276 5.671 1.00 17.88 C ATOM 43 C VAL A 6 72.666 -55.067 6.140 1.00 17.24 C ATOM 44 O VAL A 6 72.002 -54.116 5.733 1.00 18.80 O ATOM 45 CB VAL A 6 74.960 -54.070 6.080 1.00 17.50 C ATOM 46 CG1 VAL A 6 74.901 -53.862 7.581 1.00 16.74 C ATOM 47 CG2 VAL A 6 76.429 -54.238 5.579 1.00 18.50 C ATOM 48 H VAL A 6 73.852 -54.640 3.620 1.00 0.00 H ATOM 49 N PRO A 7 72.175 -55.965 7.002 1.00 17.87 N ATOM 50 CA PRO A 7 70.793 -55.874 7.484 1.00 17.06 C ATOM 51 C PRO A 7 70.491 -54.556 8.195 1.00 16.54 C ATOM 52 O PRO A 7 71.311 -54.053 8.971 1.00 17.92 O ATOM 53 CB PRO A 7 70.691 -57.040 8.482 1.00 16.66 C ATOM 54 CG PRO A 7 71.806 -57.980 8.093 1.00 20.48 C ATOM 55 CD PRO A 7 72.899 -57.113 7.571 1.00 21.59 C ATOM 56 N ASP A 8 69.304 -54.020 7.928 1.00 16.90 N ATOM 57 CA ASP A 8 68.797 -52.850 8.610 1.00 21.36 C ATOM 58 C ASP A 8 67.662 -53.315 9.509 1.00 17.75 C ATOM 59 O ASP A 8 67.135 -54.408 9.337 1.00 15.80 O ATOM 60 CB ASP A 8 68.253 -51.852 7.592 1.00 26.52 C ATOM 61 CG ASP A 8 68.022 -50.475 8.181 1.00 33.29 C ATOM 62 OD1 ASP A 8 68.416 -50.245 9.345 1.00 34.42 O ATOM 63 OD2 ASP A 8 67.457 -49.616 7.462 1.00 35.02 O ATOM 64 H ASP A 8 68.713 -54.462 7.195 1.00 0.00 H ATOM 65 N MET A 9 67.292 -52.471 10.463 1.00 19.85 N ATOM 66 CA MET A 9 66.161 -52.739 11.338 1.00 19.08 C ATOM 67 C MET A 9 64.881 -52.914 10.522 1.00 20.16 C ATOM 68 O MET A 9 64.546 -52.080 9.678 1.00 19.60 O ATOM 69 CB MET A 9 65.998 -51.598 12.342 1.00 16.60 C ATOM 70 CG MET A 9 65.014 -51.880 13.458 1.00 15.21 C ATOM 71 SD MET A 9 64.920 -50.505 14.618 1.00 13.85 S ATOM 72 CE MET A 9 64.103 -49.270 13.601 1.00 15.93 C ATOM 73 H MET A 9 67.828 -51.589 10.590 1.00 0.00 H ATOM 74 N GLY A 10 64.181 -54.015 10.767 1.00 19.57 N ATOM 75 CA GLY A 10 62.956 -54.322 10.058 1.00 20.25 C ATOM 76 C GLY A 10 63.124 -55.236 8.854 1.00 17.94 C ATOM 77 O GLY A 10 62.135 -55.716 8.300 1.00 20.42 O ATOM 78 H GLY A 10 64.523 -54.678 11.491 1.00 0.00 H ATOM 79 N ASP A 11 64.362 -55.479 8.435 1.00 16.37 N ATOM 80 CA ASP A 11 64.586 -56.343 7.269 1.00 15.43 C ATOM 81 C ASP A 11 64.159 -57.782 7.557 1.00 15.64 C ATOM 82 O ASP A 11 64.352 -58.290 8.677 1.00 19.42 O ATOM 83 CB ASP A 11 66.053 -56.304 6.827 1.00 14.92 C ATOM 84 CG ASP A 11 66.414 -55.032 6.072 1.00 21.50 C ATOM 85 OD1 ASP A 11 65.543 -54.144 5.946 1.00 24.15 O ATOM 86 OD2 ASP A 11 67.579 -54.917 5.606 1.00 22.29 O ATOM 87 H ASP A 11 65.172 -55.057 8.933 1.00 0.00 H ATOM 88 N LEU A 12 63.536 -58.421 6.567 1.00 14.62 N ATOM 89 CA LEU A 12 63.336 -59.857 6.599 1.00 13.98 C ATOM 90 C LEU A 12 64.507 -60.455 5.847 1.00 16.23 C ATOM 91 O LEU A 12 64.696 -60.165 4.673 1.00 18.46 O ATOM 92 CB LEU A 12 62.036 -60.256 5.912 1.00 18.15 C ATOM 93 CG LEU A 12 61.800 -61.765 5.890 1.00 19.83 C ATOM 94 CD1 LEU A 12 61.535 -62.260 7.313 1.00 19.02 C ATOM 95 CD2 LEU A 12 60.628 -62.119 4.993 1.00 26.85 C ATOM 96 H LEU A 12 63.185 -57.877 5.753 1.00 0.00 H ATOM 97 N ILE A 13 65.286 -61.279 6.532 1.00 14.31 N ATOM 98 CA ILE A 13 66.480 -61.875 5.961 1.00 15.68 C ATOM 99 C ILE A 13 66.383 -63.379 5.895 1.00 17.45 C ATOM 100 O ILE A 13 65.608 -64.009 6.617 1.00 19.32 O ATOM 101 CB ILE A 13 67.767 -61.467 6.732 1.00 16.48 C ATOM 102 CG1 ILE A 13 67.819 -62.092 8.131 1.00 19.73 C ATOM 103 CG2 ILE A 13 67.871 -59.962 6.814 1.00 16.59 C ATOM 104 CD1 ILE A 13 69.109 -61.781 8.872 1.00 20.63 C ATOM 105 H ILE A 13 65.033 -61.507 7.515 1.00 0.00 H ATOM 106 N TRP A 14 67.168 -63.950 4.995 1.00 17.52 N ATOM 107 CA TRP A 14 67.348 -65.386 4.946 1.00 17.07 C ATOM 108 C TRP A 14 68.764 -65.670 5.401 1.00 18.10 C ATOM 109 O TRP A 14 69.711 -65.080 4.885 1.00 18.07 O ATOM 110 CB TRP A 14 67.115 -65.908 3.531 1.00 22.80 C ATOM 111 CG TRP A 14 65.662 -65.994 3.175 1.00 30.68 C ATOM 112 CD1 TRP A 14 64.610 -65.499 3.897 1.00 32.47 C ATOM 113 CD2 TRP A 14 65.096 -66.625 2.025 1.00 33.47 C ATOM 114 NE1 TRP A 14 63.425 -65.778 3.261 1.00 34.04 N ATOM 115 CE2 TRP A 14 63.694 -66.471 2.111 1.00 35.01 C ATOM 116 CE3 TRP A 14 65.634 -67.307 0.929 1.00 35.28 C ATOM 117 CZ2 TRP A 14 62.827 -66.973 1.140 1.00 36.54 C ATOM 118 CZ3 TRP A 14 64.772 -67.801 -0.031 1.00 35.61 C ATOM 119 CH2 TRP A 14 63.388 -67.625 0.074 1.00 35.49 C ATOM 120 HE1 TRP A 14 62.479 -65.507 3.598 1.00 0.00 H ATOM 121 H TRP A 14 67.668 -63.352 4.306 1.00 0.00 H ATOM 122 N VAL A 15 68.900 -66.543 6.395 1.00 22.04 N ATOM 123 CA VAL A 15 70.194 -66.866 6.978 1.00 27.32 C ATOM 124 C VAL A 15 70.518 -68.345 6.810 1.00 35.44 C ATOM 125 O VAL A 15 69.668 -69.205 7.052 1.00 35.12 O ATOM 126 CB VAL A 15 70.222 -66.541 8.488 1.00 29.38 C ATOM 127 CG1 VAL A 15 71.443 -67.168 9.146 1.00 32.31 C ATOM 128 CG2 VAL A 15 70.197 -65.044 8.710 1.00 32.97 C ATOM 129 H VAL A 15 68.051 -67.012 6.769 1.00 0.00 H ATOM 130 N ASP A 16 71.751 -68.635 6.425 1.00 44.13 N ATOM 131 CA ASP A 16 72.205 -70.010 6.296 1.00 52.30 C ATOM 132 C ASP A 16 72.443 -70.632 7.672 1.00 56.28 C ATOM 133 O ASP A 16 73.444 -70.350 8.328 1.00 57.47 O ATOM 134 CB ASP A 16 73.461 -70.062 5.430 1.00 55.17 C ATOM 135 CG ASP A 16 73.237 -69.461 4.051 1.00 57.36 C ATOM 136 OD1 ASP A 16 72.327 -68.620 3.909 1.00 56.18 O ATOM 137 OD2 ASP A 16 73.963 -69.835 3.110 1.00 59.32 O ATOM 138 H ASP A 16 72.411 -67.860 6.210 1.00 0.00 H ATOM 139 N PHE A 17 71.504 -71.468 8.108 1.00 56.97 N ATOM 140 CA PHE A 17 71.537 -72.046 9.450 1.00 58.33 C ATOM 141 C PHE A 17 71.983 -73.506 9.428 1.00 60.52 C ATOM 142 O PHE A 17 71.325 -74.376 10.002 1.00 62.07 O ATOM 143 CB PHE A 17 70.164 -71.923 10.116 1.00 57.69 C ATOM 144 H PHE A 17 70.720 -71.719 7.472 1.00 0.00 H TER 145 PHE A 17 ATOM 146 N HIS A 28 68.464 -72.642 4.795 1.00 41.83 N ATOM 147 CA HIS A 28 68.192 -71.266 5.196 1.00 42.27 C ATOM 148 C HIS A 28 67.013 -71.177 6.166 1.00 40.79 C ATOM 149 O HIS A 28 66.133 -72.037 6.181 1.00 40.88 O ATOM 150 CB HIS A 28 67.925 -70.383 3.972 1.00 46.35 C ATOM 151 CG HIS A 28 66.476 -70.291 3.595 1.00 50.24 C ATOM 152 ND1 HIS A 28 65.553 -69.590 4.342 1.00 50.71 N ATOM 153 CD2 HIS A 28 65.796 -70.809 2.545 1.00 52.11 C ATOM 154 CE1 HIS A 28 64.364 -69.682 3.769 1.00 50.43 C ATOM 155 NE2 HIS A 28 64.485 -70.417 2.679 1.00 51.85 N ATOM 156 HN3 HIS A 28 67.625 -73.037 4.325 1.00 0.00 H ATOM 157 HN2 HIS A 28 68.691 -73.209 5.637 1.00 0.00 H ATOM 158 HN1 HIS A 28 69.270 -72.657 4.138 1.00 0.00 H ATOM 159 N ARG A 29 67.014 -70.122 6.971 1.00 38.62 N ATOM 160 CA ARG A 29 65.934 -69.830 7.897 1.00 37.51 C ATOM 161 C ARG A 29 65.648 -68.347 7.782 1.00 31.95 C ATOM 162 O ARG A 29 66.576 -67.535 7.829 1.00 28.33 O ATOM 163 CB ARG A 29 66.361 -70.155 9.327 1.00 40.12 C ATOM 164 CG ARG A 29 65.599 -69.386 10.405 1.00 41.75 C ATOM 165 CD ARG A 29 64.277 -70.050 10.716 1.00 45.02 C ATOM 166 NE ARG A 29 64.469 -71.463 11.035 1.00 48.63 N ATOM 167 CZ ARG A 29 63.489 -72.306 11.348 1.00 50.50 C ATOM 168 NH1 ARG A 29 62.233 -71.880 11.389 1.00 49.42 N ATOM 169 NH2 ARG A 29 63.766 -73.577 11.619 1.00 52.60 N ATOM 170 HE ARG A 29 65.440 -71.836 11.016 1.00 0.00 H ATOM 171 HH12 ARG A 29 61.468 -72.540 11.634 1.00 0.00 H ATOM 172 HH11 ARG A 29 62.014 -70.886 11.176 1.00 0.00 H ATOM 173 HH22 ARG A 29 62.999 -74.236 11.864 1.00 0.00 H ATOM 174 HH21 ARG A 29 64.750 -73.913 11.586 1.00 0.00 H ATOM 175 H ARG A 29 67.827 -69.474 6.937 1.00 0.00 H ATOM 176 N PRO A 30 64.373 -67.985 7.589 1.00 30.00 N ATOM 177 CA PRO A 30 64.031 -66.562 7.578 1.00 26.66 C ATOM 178 C PRO A 30 64.060 -65.995 8.992 1.00 23.42 C ATOM 179 O PRO A 30 63.795 -66.712 9.954 1.00 23.65 O ATOM 180 CB PRO A 30 62.606 -66.538 7.003 1.00 29.01 C ATOM 181 CG PRO A 30 62.063 -67.901 7.261 1.00 31.54 C ATOM 182 CD PRO A 30 63.235 -68.842 7.220 1.00 31.27 C ATOM 183 N ALA A 31 64.418 -64.725 9.114 1.00 18.87 N ATOM 184 CA ALA A 31 64.370 -64.049 10.407 1.00 15.55 C ATOM 185 C ALA A 31 64.081 -62.566 10.222 1.00 16.35 C ATOM 186 O ALA A 31 64.372 -61.981 9.185 1.00 15.05 O ATOM 187 CB ALA A 31 65.669 -64.257 11.172 1.00 18.57 C ATOM 188 H ALA A 31 64.738 -64.201 8.275 1.00 0.00 H ATOM 189 N VAL A 32 63.489 -61.958 11.237 1.00 15.20 N ATOM 190 CA VAL A 32 63.257 -60.534 11.221 1.00 12.78 C ATOM 191 C VAL A 32 64.307 -59.846 12.079 1.00 12.70 C ATOM 192 O VAL A 32 64.492 -60.182 13.248 1.00 16.56 O ATOM 193 CB VAL A 32 61.854 -60.183 11.755 1.00 15.06 C ATOM 194 CG1 VAL A 32 61.653 -58.677 11.725 1.00 14.54 C ATOM 195 CG2 VAL A 32 60.785 -60.905 10.951 1.00 15.57 C ATOM 196 H VAL A 32 63.186 -62.516 12.061 1.00 0.00 H ATOM 197 N VAL A 33 64.988 -58.865 11.499 1.00 13.05 N ATOM 198 CA VAL A 33 66.040 -58.149 12.201 1.00 10.92 C ATOM 199 C VAL A 33 65.462 -57.017 13.037 1.00 11.28 C ATOM 200 O VAL A 33 64.702 -56.204 12.539 1.00 15.76 O ATOM 201 CB VAL A 33 67.061 -57.574 11.213 1.00 12.44 C ATOM 202 CG1 VAL A 33 68.061 -56.685 11.953 1.00 13.08 C ATOM 203 CG2 VAL A 33 67.767 -58.712 10.508 1.00 14.03 C ATOM 204 H VAL A 33 64.763 -58.602 10.518 1.00 0.00 H ATOM 205 N LEU A 34 65.805 -56.992 14.321 1.00 9.82 N ATOM 206 CA LEU A 34 65.309 -55.968 15.232 1.00 12.82 C ATOM 207 C LEU A 34 66.319 -54.858 15.515 1.00 14.22 C ATOM 208 O LEU A 34 65.942 -53.728 15.813 1.00 17.95 O ATOM 209 CB LEU A 34 64.925 -56.612 16.564 1.00 15.23 C ATOM 210 CG LEU A 34 63.996 -57.819 16.480 1.00 17.18 C ATOM 211 CD1 LEU A 34 63.732 -58.294 17.893 1.00 18.86 C ATOM 212 CD2 LEU A 34 62.687 -57.471 15.770 1.00 20.34 C ATOM 213 H LEU A 34 66.446 -57.725 14.686 1.00 0.00 H ATOM 214 N SER A 35 67.599 -55.183 15.447 1.00 14.57 N ATOM 215 CA SER A 35 68.637 -54.259 15.885 1.00 13.85 C ATOM 216 C SER A 35 68.954 -53.193 14.834 1.00 14.40 C ATOM 217 O SER A 35 68.733 -53.409 13.638 1.00 16.84 O ATOM 218 CB SER A 35 69.901 -55.026 16.280 1.00 15.06 C ATOM 219 OG SER A 35 70.209 -56.034 15.341 1.00 12.94 O ATOM 220 HG SER A 35 70.356 -55.622 14.453 1.00 0.00 H ATOM 221 H SER A 35 67.870 -56.115 15.074 1.00 0.00 H ATOM 222 N PRO A 36 69.464 -52.033 15.279 1.00 17.40 N ATOM 223 CA PRO A 36 69.762 -50.931 14.356 1.00 18.45 C ATOM 224 C PRO A 36 70.956 -51.192 13.437 1.00 19.58 C ATOM 225 O PRO A 36 71.911 -51.904 13.791 1.00 17.34 O ATOM 226 CB PRO A 36 70.050 -49.752 15.289 1.00 19.05 C ATOM 227 CG PRO A 36 70.382 -50.358 16.595 1.00 23.71 C ATOM 228 CD PRO A 36 69.628 -51.638 16.687 1.00 19.00 C ATOM 229 N PHE A 37 70.889 -50.595 12.250 1.00 21.09 N ATOM 230 CA PHE A 37 71.927 -50.761 11.238 1.00 22.67 C ATOM 231 C PHE A 37 73.315 -50.476 11.793 1.00 20.46 C ATOM 232 O PHE A 37 74.284 -51.172 11.472 1.00 18.67 O ATOM 233 CB PHE A 37 71.664 -49.851 10.032 1.00 25.65 C ATOM 234 CG PHE A 37 72.767 -49.873 9.010 1.00 24.83 C ATOM 235 CD1 PHE A 37 72.718 -50.758 7.945 1.00 24.34 C ATOM 236 CD2 PHE A 37 73.853 -49.020 9.120 1.00 23.76 C ATOM 237 CE1 PHE A 37 73.723 -50.791 7.009 1.00 24.31 C ATOM 238 CE2 PHE A 37 74.875 -49.051 8.184 1.00 23.10 C ATOM 239 CZ PHE A 37 74.806 -49.938 7.127 1.00 24.30 C ATOM 240 H PHE A 37 70.070 -49.990 12.036 1.00 0.00 H ATOM 241 N MET A 38 73.420 -49.437 12.609 1.00 20.38 N ATOM 242 CA MET A 38 74.717 -49.068 13.153 1.00 24.25 C ATOM 243 C MET A 38 75.352 -50.252 13.886 1.00 20.77 C ATOM 244 O MET A 38 76.535 -50.562 13.679 1.00 18.18 O ATOM 245 CB MET A 38 74.600 -47.846 14.065 1.00 25.66 C ATOM 246 CG MET A 38 75.852 -47.599 14.890 1.00 33.42 C ATOM 247 SD MET A 38 75.809 -46.009 15.716 1.00 38.99 S ATOM 248 CE MET A 38 74.207 -46.105 16.515 1.00 40.89 C ATOM 249 H MET A 38 72.575 -48.886 12.860 1.00 0.00 H ATOM 250 N TYR A 39 74.556 -50.924 14.718 1.00 18.90 N ATOM 251 CA TYR A 39 75.029 -52.085 15.472 1.00 16.53 C ATOM 252 C TYR A 39 75.351 -53.251 14.541 1.00 16.26 C ATOM 253 O TYR A 39 76.418 -53.884 14.661 1.00 14.74 O ATOM 254 CB TYR A 39 73.996 -52.518 16.523 1.00 17.75 C ATOM 255 CG TYR A 39 74.314 -53.836 17.208 1.00 17.90 C ATOM 256 CD1 TYR A 39 75.159 -53.882 18.307 1.00 16.02 C ATOM 257 CD2 TYR A 39 73.767 -55.029 16.758 1.00 18.44 C ATOM 258 CE1 TYR A 39 75.456 -55.071 18.931 1.00 18.52 C ATOM 259 CE2 TYR A 39 74.059 -56.229 17.381 1.00 18.46 C ATOM 260 CZ TYR A 39 74.906 -56.243 18.465 1.00 18.23 C ATOM 261 OH TYR A 39 75.200 -57.429 19.101 1.00 20.54 O ATOM 262 HH TYR A 39 74.365 -57.832 19.447 1.00 0.00 H ATOM 263 H TYR A 39 73.570 -50.614 14.834 1.00 0.00 H ATOM 264 N ASN A 40 74.433 -53.512 13.615 1.00 12.98 N ATOM 265 CA ASN A 40 74.556 -54.637 12.696 1.00 12.32 C ATOM 266 C ASN A 40 75.828 -54.507 11.874 1.00 12.11 C ATOM 267 O ASN A 40 76.586 -55.465 11.726 1.00 12.28 O ATOM 268 CB ASN A 40 73.345 -54.704 11.778 1.00 12.64 C ATOM 269 CG ASN A 40 72.060 -54.796 12.544 1.00 13.60 C ATOM 270 OD1 ASN A 40 72.063 -55.186 13.714 1.00 14.90 O ATOM 271 ND2 ASN A 40 70.960 -54.429 11.913 1.00 16.65 N ATOM 272 HD22 ASN A 40 71.010 -54.107 10.925 1.00 0.00 H ATOM 273 HD21 ASN A 40 70.044 -54.462 12.404 1.00 0.00 H ATOM 274 H ASN A 40 73.600 -52.893 13.544 1.00 0.00 H ATOM 275 N ASN A 41 76.061 -53.301 11.370 1.00 13.96 N ATOM 276 CA ASN A 41 77.234 -53.015 10.550 1.00 15.35 C ATOM 277 C ASN A 41 78.572 -53.100 11.309 1.00 17.41 C ATOM 278 O ASN A 41 79.561 -53.617 10.788 1.00 19.83 O ATOM 279 CB ASN A 41 77.073 -51.640 9.887 1.00 17.37 C ATOM 280 CG ASN A 41 78.129 -51.373 8.832 1.00 19.37 C ATOM 281 OD1 ASN A 41 78.531 -52.276 8.096 1.00 24.08 O ATOM 282 ND2 ASN A 41 78.591 -50.129 8.758 1.00 24.19 N ATOM 283 HD22 ASN A 41 78.222 -49.398 9.400 1.00 0.00 H ATOM 284 HD21 ASN A 41 79.321 -49.886 8.058 1.00 0.00 H ATOM 285 H ASN A 41 75.385 -52.535 11.566 1.00 0.00 H ATOM 286 N LYS A 42 78.595 -52.593 12.533 1.00 15.19 N ATOM 287 CA LYS A 42 79.831 -52.530 13.291 1.00 17.93 C ATOM 288 C LYS A 42 80.249 -53.905 13.811 1.00 17.48 C ATOM 289 O LYS A 42 81.415 -54.269 13.773 1.00 16.83 O ATOM 290 CB LYS A 42 79.679 -51.534 14.442 1.00 23.38 C ATOM 291 CG LYS A 42 80.966 -51.149 15.137 1.00 28.92 C ATOM 292 CD LYS A 42 80.693 -50.196 16.293 1.00 32.36 C ATOM 293 CE LYS A 42 79.818 -49.037 15.858 1.00 35.61 C ATOM 294 NZ LYS A 42 79.879 -47.880 16.805 1.00 38.48 N ATOM 295 HZ1 LYS A 42 79.558 -48.186 17.746 1.00 0.00 H ATOM 296 HZ2 LYS A 42 80.858 -47.535 16.866 1.00 0.00 H ATOM 297 HZ3 LYS A 42 79.263 -47.117 16.459 1.00 0.00 H ATOM 298 H LYS A 42 77.715 -52.235 12.956 1.00 0.00 H ATOM 299 N THR A 43 79.272 -54.668 14.283 1.00 15.48 N ATOM 300 CA THR A 43 79.531 -55.937 14.962 1.00 16.33 C ATOM 301 C THR A 43 79.504 -57.168 14.054 1.00 17.67 C ATOM 302 O THR A 43 80.091 -58.191 14.383 1.00 20.04 O ATOM 303 CB THR A 43 78.503 -56.180 16.076 1.00 14.82 C ATOM 304 OG1 THR A 43 77.204 -56.368 15.499 1.00 15.22 O ATOM 305 CG2 THR A 43 78.487 -55.009 17.057 1.00 14.83 C ATOM 306 HG1 THR A 43 76.951 -55.559 14.988 1.00 0.00 H ATOM 307 H THR A 43 78.288 -54.353 14.166 1.00 0.00 H ATOM 308 N GLY A 44 78.816 -57.081 12.923 1.00 17.95 N ATOM 309 CA GLY A 44 78.594 -58.264 12.110 1.00 19.19 C ATOM 310 C GLY A 44 77.575 -59.195 12.751 1.00 17.45 C ATOM 311 O GLY A 44 77.358 -60.320 12.290 1.00 16.53 O ATOM 312 H GLY A 44 78.434 -56.163 12.618 1.00 0.00 H ATOM 313 N MET A 45 76.940 -58.710 13.816 1.00 14.39 N ATOM 314 CA MET A 45 75.866 -59.430 14.501 1.00 12.78 C ATOM 315 C MET A 45 74.558 -58.671 14.363 1.00 11.16 C ATOM 316 O MET A 45 74.531 -57.482 13.981 1.00 13.05 O ATOM 317 CB MET A 45 76.200 -59.539 15.995 1.00 15.31 C ATOM 318 CG MET A 45 77.568 -60.113 16.319 1.00 20.96 C ATOM 319 SD MET A 45 77.686 -61.867 15.942 1.00 25.50 S ATOM 320 CE MET A 45 76.857 -62.565 17.362 1.00 24.83 C ATOM 321 H MET A 45 77.220 -57.776 14.178 1.00 0.00 H ATOM 322 N CYS A 46 73.459 -59.351 14.666 1.00 11.31 N ATOM 323 CA CYS A 46 72.168 -58.684 14.730 1.00 13.70 C ATOM 324 C CYS A 46 71.255 -59.402 15.720 1.00 16.33 C ATOM 325 O CYS A 46 71.411 -60.594 15.970 1.00 17.19 O ATOM 326 CB CYS A 46 71.519 -58.594 13.339 1.00 15.54 C ATOM 327 SG CYS A 46 70.981 -60.185 12.645 1.00 22.20 S ATOM 328 H CYS A 46 73.522 -60.371 14.860 1.00 0.00 H ATOM 329 N LEU A 47 70.329 -58.661 16.309 1.00 15.18 N ATOM 330 CA LEU A 47 69.303 -59.277 17.141 1.00 14.95 C ATOM 331 C LEU A 47 68.118 -59.523 16.227 1.00 14.48 C ATOM 332 O LEU A 47 67.580 -58.587 15.625 1.00 16.49 O ATOM 333 CB LEU A 47 68.921 -58.357 18.296 1.00 20.58 C ATOM 334 CG LEU A 47 68.339 -59.048 19.522 1.00 23.77 C ATOM 335 CD1 LEU A 47 69.367 -60.022 20.097 1.00 23.92 C ATOM 336 CD2 LEU A 47 67.918 -58.013 20.559 1.00 25.11 C ATOM 337 H LEU A 47 70.334 -57.629 16.177 1.00 0.00 H ATOM 338 N CYS A 48 67.700 -60.772 16.124 1.00 14.41 N ATOM 339 CA CYS A 48 66.605 -61.092 15.226 1.00 14.16 C ATOM 340 C CYS A 48 65.619 -62.057 15.857 1.00 13.45 C ATOM 341 O CYS A 48 65.833 -62.572 16.962 1.00 13.09 O ATOM 342 CB CYS A 48 67.136 -61.676 13.918 1.00 17.12 C ATOM 343 SG CYS A 48 67.868 -63.299 14.101 1.00 21.63 S ATOM 344 H CYS A 48 68.153 -61.522 16.684 1.00 0.00 H ATOM 345 N VAL A 49 64.524 -62.273 15.149 1.00 13.35 N ATOM 346 CA VAL A 49 63.551 -63.305 15.540 1.00 12.77 C ATOM 347 C VAL A 49 63.296 -64.257 14.382 1.00 12.50 C ATOM 348 O VAL A 49 63.058 -63.834 13.251 1.00 15.86 O ATOM 349 CB VAL A 49 62.191 -62.746 16.085 1.00 16.79 C ATOM 350 CG1 VAL A 49 62.411 -61.879 17.318 1.00 18.80 C ATOM 351 CG2 VAL A 49 61.424 -61.980 15.029 1.00 16.80 C ATOM 352 H VAL A 49 64.347 -61.702 14.298 1.00 0.00 H ATOM 353 N PRO A 50 63.320 -65.558 14.661 1.00 13.56 N ATOM 354 CA PRO A 50 63.151 -66.503 13.550 1.00 13.10 C ATOM 355 C PRO A 50 61.697 -66.578 13.093 1.00 14.01 C ATOM 356 O PRO A 50 60.768 -66.310 13.866 1.00 15.38 O ATOM 357 CB PRO A 50 63.586 -67.832 14.164 1.00 12.93 C ATOM 358 CG PRO A 50 63.184 -67.699 15.613 1.00 13.45 C ATOM 359 CD PRO A 50 63.329 -66.230 15.973 1.00 14.56 C ATOM 360 N CYS A 51 61.500 -66.929 11.827 1.00 14.71 N ATOM 361 CA CYS A 51 60.164 -67.115 11.293 1.00 14.83 C ATOM 362 C CYS A 51 59.914 -68.581 11.032 1.00 20.87 C ATOM 363 O CYS A 51 60.842 -69.341 10.762 1.00 21.39 O ATOM 364 CB CYS A 51 59.996 -66.334 9.994 1.00 17.98 C ATOM 365 SG CYS A 51 60.101 -64.566 10.238 1.00 22.87 S ATOM 366 H CYS A 51 62.321 -67.074 11.205 1.00 0.00 H ATOM 367 N THR A 52 58.652 -68.975 11.114 1.00 24.92 N ATOM 368 CA THR A 52 58.269 -70.345 10.826 1.00 25.19 C ATOM 369 C THR A 52 57.135 -70.343 9.804 1.00 25.81 C ATOM 370 O THR A 52 56.652 -69.282 9.401 1.00 23.86 O ATOM 371 CB THR A 52 57.888 -71.095 12.115 1.00 26.69 C ATOM 372 OG1 THR A 52 57.680 -72.483 11.827 1.00 29.34 O ATOM 373 CG2 THR A 52 56.642 -70.497 12.723 1.00 23.90 C ATOM 374 HG1 THR A 52 57.435 -72.959 12.660 1.00 0.00 H ATOM 375 H THR A 52 57.921 -68.289 11.390 1.00 0.00 H ATOM 376 N THR A 53 56.721 -71.527 9.369 1.00 29.10 N ATOM 377 CA THR A 53 55.832 -71.628 8.219 1.00 33.87 C ATOM 378 C THR A 53 54.358 -71.431 8.556 1.00 32.11 C ATOM 379 O THR A 53 53.625 -70.831 7.776 1.00 34.67 O ATOM 380 CB THR A 53 56.010 -72.974 7.481 1.00 40.53 C ATOM 381 OG1 THR A 53 55.270 -73.998 8.156 1.00 45.59 O ATOM 382 CG2 THR A 53 57.486 -73.365 7.433 1.00 44.43 C ATOM 383 HG1 THR A 53 55.388 -74.857 7.679 1.00 0.00 H ATOM 384 H THR A 53 57.035 -72.392 9.854 1.00 0.00 H ATOM 385 N GLN A 54 53.928 -71.926 9.714 1.00 28.75 N ATOM 386 CA GLN A 54 52.505 -71.926 10.062 1.00 30.35 C ATOM 387 C GLN A 54 52.242 -71.343 11.442 1.00 28.36 C ATOM 388 O GLN A 54 53.079 -71.441 12.340 1.00 28.65 O ATOM 389 CB GLN A 54 51.933 -73.346 10.010 1.00 32.81 C ATOM 390 H GLN A 54 54.617 -72.321 10.386 1.00 0.00 H ATOM 391 N SER A 55 51.073 -70.735 11.603 1.00 25.57 N ATOM 392 CA SER A 55 50.648 -70.246 12.902 1.00 24.00 C ATOM 393 C SER A 55 49.934 -71.355 13.666 1.00 20.66 C ATOM 394 O SER A 55 49.322 -72.254 13.064 1.00 21.91 O ATOM 395 CB SER A 55 49.723 -69.038 12.755 1.00 25.78 C ATOM 396 OG SER A 55 48.549 -69.386 12.051 1.00 27.96 O ATOM 397 HG SER A 55 48.792 -69.714 11.149 1.00 0.00 H ATOM 398 H SER A 55 50.449 -70.606 10.781 1.00 0.00 H ATOM 399 N LYS A 56 50.020 -71.282 14.993 1.00 16.34 N ATOM 400 CA LYS A 56 49.371 -72.248 15.865 1.00 15.51 C ATOM 401 C LYS A 56 48.511 -71.569 16.912 1.00 16.20 C ATOM 402 O LYS A 56 47.879 -72.245 17.713 1.00 20.56 O ATOM 403 CB LYS A 56 50.393 -73.113 16.581 1.00 16.54 C ATOM 404 CG LYS A 56 51.162 -74.036 15.679 1.00 17.80 C ATOM 405 CD LYS A 56 52.122 -74.895 16.487 1.00 21.40 C ATOM 406 CE LYS A 56 53.159 -75.528 15.566 1.00 27.48 C ATOM 407 NZ LYS A 56 54.223 -76.264 16.312 1.00 30.85 N ATOM 408 HZ1 LYS A 56 54.720 -75.605 16.945 1.00 0.00 H ATOM 409 HZ2 LYS A 56 53.789 -77.025 16.873 1.00 0.00 H ATOM 410 HZ3 LYS A 56 54.899 -76.673 15.636 1.00 0.00 H ATOM 411 H LYS A 56 50.569 -70.509 15.420 1.00 0.00 H ATOM 412 N GLY A 57 48.491 -70.238 16.912 1.00 17.56 N ATOM 413 CA GLY A 57 47.738 -69.507 17.919 1.00 17.99 C ATOM 414 C GLY A 57 48.514 -69.280 19.209 1.00 16.33 C ATOM 415 O GLY A 57 47.935 -69.005 20.253 1.00 18.19 O ATOM 416 H GLY A 57 49.019 -69.715 16.184 1.00 0.00 H ATOM 417 N TYR A 58 49.831 -69.420 19.137 1.00 14.58 N ATOM 418 CA TYR A 58 50.705 -69.105 20.258 1.00 14.68 C ATOM 419 C TYR A 58 50.882 -67.580 20.380 1.00 14.74 C ATOM 420 O TYR A 58 51.094 -66.893 19.382 1.00 15.50 O ATOM 421 CB TYR A 58 52.048 -69.822 20.071 1.00 14.14 C ATOM 422 CG TYR A 58 53.002 -69.645 21.215 1.00 15.84 C ATOM 423 CD1 TYR A 58 52.760 -70.243 22.450 1.00 19.61 C ATOM 424 CD2 TYR A 58 54.160 -68.887 21.060 1.00 19.75 C ATOM 425 CE1 TYR A 58 53.644 -70.071 23.501 1.00 18.88 C ATOM 426 CE2 TYR A 58 55.043 -68.715 22.089 1.00 20.33 C ATOM 427 CZ TYR A 58 54.787 -69.308 23.308 1.00 19.60 C ATOM 428 OH TYR A 58 55.679 -69.123 24.331 1.00 21.81 O ATOM 429 HH TYR A 58 56.565 -69.474 24.062 1.00 0.00 H ATOM 430 H TYR A 58 50.253 -69.766 18.252 1.00 0.00 H ATOM 431 N PRO A 59 50.784 -67.037 21.604 1.00 16.33 N ATOM 432 CA PRO A 59 50.677 -65.575 21.757 1.00 18.60 C ATOM 433 C PRO A 59 51.887 -64.754 21.295 1.00 17.51 C ATOM 434 O PRO A 59 51.743 -63.546 21.073 1.00 19.29 O ATOM 435 CB PRO A 59 50.461 -65.387 23.267 1.00 18.22 C ATOM 436 CG PRO A 59 50.076 -66.719 23.778 1.00 18.17 C ATOM 437 CD PRO A 59 50.727 -67.731 22.900 1.00 16.53 C ATOM 438 N PHE A 60 53.053 -65.379 21.169 1.00 14.84 N ATOM 439 CA PHE A 60 54.253 -64.664 20.740 1.00 14.39 C ATOM 440 C PHE A 60 54.489 -64.708 19.233 1.00 13.41 C ATOM 441 O PHE A 60 55.464 -64.129 18.728 1.00 16.76 O ATOM 442 CB PHE A 60 55.459 -65.117 21.559 1.00 17.03 C ATOM 443 CG PHE A 60 55.430 -64.594 22.970 1.00 16.19 C ATOM 444 CD1 PHE A 60 54.774 -65.302 23.971 1.00 15.76 C ATOM 445 CD2 PHE A 60 55.996 -63.367 23.276 1.00 17.74 C ATOM 446 CE1 PHE A 60 54.715 -64.813 25.249 1.00 17.36 C ATOM 447 CE2 PHE A 60 55.947 -62.866 24.563 1.00 17.98 C ATOM 448 CZ PHE A 60 55.308 -63.591 25.554 1.00 17.07 C ATOM 449 H PHE A 60 53.113 -66.396 21.380 1.00 0.00 H ATOM 450 N GLU A 61 53.571 -65.368 18.530 1.00 14.23 N ATOM 451 CA GLU A 61 53.526 -65.332 17.064 1.00 17.16 C ATOM 452 C GLU A 61 53.171 -63.944 16.566 1.00 17.88 C ATOM 453 O GLU A 61 52.285 -63.284 17.104 1.00 17.27 O ATOM 454 CB GLU A 61 52.447 -66.276 16.534 1.00 17.06 C ATOM 455 CG GLU A 61 52.774 -67.745 16.619 1.00 20.24 C ATOM 456 CD GLU A 61 51.551 -68.637 16.434 1.00 23.19 C ATOM 457 OE1 GLU A 61 50.462 -68.140 16.070 1.00 23.41 O ATOM 458 OE2 GLU A 61 51.685 -69.850 16.667 1.00 27.50 O ATOM 459 H GLU A 61 52.859 -65.930 19.039 1.00 0.00 H ATOM 460 N VAL A 62 53.839 -63.516 15.506 1.00 15.44 N ATOM 461 CA VAL A 62 53.391 -62.360 14.758 1.00 15.83 C ATOM 462 C VAL A 62 53.336 -62.768 13.293 1.00 19.08 C ATOM 463 O VAL A 62 54.366 -63.096 12.689 1.00 16.69 O ATOM 464 CB VAL A 62 54.324 -61.164 14.955 1.00 15.14 C ATOM 465 CG1 VAL A 62 53.888 -60.005 14.068 1.00 17.67 C ATOM 466 CG2 VAL A 62 54.341 -60.747 16.438 1.00 16.02 C ATOM 467 H VAL A 62 54.699 -64.018 15.206 1.00 0.00 H ATOM 468 N VAL A 63 52.133 -62.785 12.731 1.00 18.96 N ATOM 469 CA VAL A 63 51.971 -63.136 11.324 1.00 20.89 C ATOM 470 C VAL A 63 52.397 -61.963 10.445 1.00 22.43 C ATOM 471 O VAL A 63 51.946 -60.830 10.632 1.00 25.47 O ATOM 472 CB VAL A 63 50.519 -63.584 10.986 1.00 25.02 C ATOM 473 CG1 VAL A 63 50.411 -63.984 9.512 1.00 27.37 C ATOM 474 CG2 VAL A 63 50.103 -64.748 11.870 1.00 27.09 C ATOM 475 H VAL A 63 51.296 -62.545 13.300 1.00 0.00 H ATOM 476 N LEU A 64 53.294 -62.239 9.509 1.00 18.99 N ATOM 477 CA LEU A 64 53.759 -61.225 8.579 1.00 22.20 C ATOM 478 C LEU A 64 52.846 -61.233 7.356 1.00 28.76 C ATOM 479 O LEU A 64 52.619 -62.280 6.744 1.00 29.97 O ATOM 480 CB LEU A 64 55.212 -61.494 8.165 1.00 20.90 C ATOM 481 CG LEU A 64 56.276 -61.761 9.241 1.00 19.31 C ATOM 482 CD1 LEU A 64 57.636 -62.022 8.613 1.00 20.64 C ATOM 483 CD2 LEU A 64 56.377 -60.622 10.258 1.00 19.11 C ATOM 484 H LEU A 64 53.674 -63.205 9.439 1.00 0.00 H ATOM 485 N SER A 65 52.321 -60.074 6.986 1.00 32.88 N ATOM 486 CA SER A 65 51.426 -59.994 5.840 1.00 42.63 C ATOM 487 C SER A 65 52.209 -59.974 4.538 1.00 49.72 C ATOM 488 O SER A 65 53.185 -59.248 4.405 1.00 50.96 O ATOM 489 CB SER A 65 50.547 -58.751 5.942 1.00 47.30 C ATOM 490 OG SER A 65 49.618 -58.879 7.000 1.00 49.95 O ATOM 491 HG SER A 65 49.059 -58.063 7.048 1.00 0.00 H ATOM 492 H SER A 65 52.551 -59.212 7.520 1.00 0.00 H ATOM 493 N GLY A 66 51.769 -60.767 3.570 1.00 55.63 N ATOM 494 CA GLY A 66 50.623 -61.635 3.746 1.00 60.06 C ATOM 495 C GLY A 66 50.791 -62.906 2.936 1.00 63.03 C ATOM 496 O GLY A 66 50.004 -63.843 3.063 1.00 63.37 O ATOM 497 H GLY A 66 52.263 -60.765 2.655 1.00 0.00 H ATOM 498 N GLN A 67 51.831 -62.937 2.110 1.00 64.38 N ATOM 499 CA GLN A 67 52.092 -64.080 1.245 1.00 65.46 C ATOM 500 C GLN A 67 53.314 -64.896 1.660 1.00 66.51 C ATOM 501 O GLN A 67 53.709 -64.924 2.828 1.00 66.89 O ATOM 502 CB GLN A 67 52.253 -63.626 -0.208 1.00 65.71 C ATOM 503 H GLN A 67 52.477 -62.123 2.080 1.00 0.00 H ATOM 504 N GLU A 68 53.899 -65.564 0.676 1.00 66.14 N ATOM 505 CA GLU A 68 55.035 -66.452 0.878 1.00 65.82 C ATOM 506 H GLU A 68 53.528 -65.448 -0.289 1.00 0.00 H TER 507 GLU A 68 ATOM 508 N GLY A 71 55.487 -66.928 6.735 1.00 34.97 N ATOM 509 CA GLY A 71 55.835 -65.721 7.453 1.00 33.31 C ATOM 510 C GLY A 71 55.142 -65.574 8.795 1.00 29.78 C ATOM 511 O GLY A 71 54.254 -64.751 8.947 1.00 33.14 O ATOM 512 HN3 GLY A 71 54.463 -66.939 6.553 1.00 0.00 H ATOM 513 HN2 GLY A 71 55.748 -67.757 7.306 1.00 0.00 H ATOM 514 HN1 GLY A 71 56.001 -66.953 5.831 1.00 0.00 H ATOM 515 N VAL A 72 55.556 -66.382 9.761 1.00 23.38 N ATOM 516 CA VAL A 72 55.130 -66.216 11.142 1.00 21.35 C ATOM 517 C VAL A 72 56.366 -66.028 12.012 1.00 17.93 C ATOM 518 O VAL A 72 57.158 -66.940 12.177 1.00 20.72 O ATOM 519 CB VAL A 72 54.316 -67.424 11.654 1.00 23.04 C ATOM 520 CG1 VAL A 72 53.937 -67.223 13.114 1.00 26.30 C ATOM 521 CG2 VAL A 72 53.075 -67.628 10.809 1.00 24.81 C ATOM 522 H VAL A 72 56.206 -67.159 9.524 1.00 0.00 H ATOM 523 N ALA A 73 56.531 -64.832 12.556 1.00 17.15 N ATOM 524 CA ALA A 73 57.672 -64.534 13.422 1.00 16.92 C ATOM 525 C ALA A 73 57.406 -65.030 14.846 1.00 15.83 C ATOM 526 O ALA A 73 56.292 -64.871 15.374 1.00 16.61 O ATOM 527 CB ALA A 73 57.968 -63.033 13.422 1.00 18.93 C ATOM 528 H ALA A 73 55.832 -64.086 12.363 1.00 0.00 H ATOM 529 N LEU A 74 58.413 -65.647 15.465 1.00 14.74 N ATOM 530 CA LEU A 74 58.257 -66.099 16.859 1.00 14.10 C ATOM 531 C LEU A 74 59.019 -65.173 17.805 1.00 15.11 C ATOM 532 O LEU A 74 60.236 -65.314 17.991 1.00 15.93 O ATOM 533 CB LEU A 74 58.720 -67.549 17.028 1.00 17.50 C ATOM 534 CG LEU A 74 57.987 -68.568 16.150 1.00 20.75 C ATOM 535 CD1 LEU A 74 58.563 -69.969 16.322 1.00 24.95 C ATOM 536 CD2 LEU A 74 56.501 -68.555 16.451 1.00 25.26 C ATOM 537 H LEU A 74 59.310 -65.809 14.964 1.00 0.00 H ATOM 538 N ALA A 75 58.294 -64.239 18.416 1.00 14.58 N ATOM 539 CA ALA A 75 58.922 -63.137 19.136 1.00 17.54 C ATOM 540 C ALA A 75 59.752 -63.587 20.349 1.00 16.69 C ATOM 541 O ALA A 75 60.820 -63.030 20.619 1.00 16.82 O ATOM 542 CB ALA A 75 57.868 -62.086 19.534 1.00 16.30 C ATOM 543 H ALA A 75 57.256 -64.296 18.379 1.00 0.00 H ATOM 544 N ASP A 76 59.275 -64.599 21.069 1.00 17.05 N ATOM 545 CA ASP A 76 60.004 -65.075 22.243 1.00 16.70 C ATOM 546 C ASP A 76 61.197 -65.983 21.944 1.00 14.36 C ATOM 547 O ASP A 76 61.807 -66.545 22.854 1.00 16.57 O ATOM 548 CB ASP A 76 59.058 -65.709 23.295 1.00 16.50 C ATOM 549 CG ASP A 76 58.358 -66.964 22.790 1.00 18.22 C ATOM 550 OD1 ASP A 76 58.368 -67.218 21.573 1.00 20.63 O ATOM 551 OD2 ASP A 76 57.760 -67.699 23.617 1.00 19.04 O ATOM 552 H ASP A 76 58.380 -65.053 20.795 1.00 0.00 H ATOM 553 N GLN A 77 61.559 -66.097 20.668 1.00 13.06 N ATOM 554 CA GLN A 77 62.752 -66.846 20.307 1.00 14.61 C ATOM 555 C GLN A 77 63.816 -65.919 19.735 1.00 14.15 C ATOM 556 O GLN A 77 64.621 -66.310 18.890 1.00 14.71 O ATOM 557 CB GLN A 77 62.424 -67.986 19.346 1.00 17.18 C ATOM 558 CG GLN A 77 61.397 -68.958 19.913 1.00 20.55 C ATOM 559 CD GLN A 77 61.549 -70.352 19.354 1.00 25.54 C ATOM 560 OE1 GLN A 77 62.661 -70.793 19.059 1.00 26.36 O ATOM 561 NE2 GLN A 77 60.432 -71.056 19.197 1.00 27.24 N ATOM 562 HE22 GLN A 77 59.515 -70.642 19.460 1.00 0.00 H ATOM 563 HE21 GLN A 77 60.475 -72.021 18.811 1.00 0.00 H ATOM 564 H GLN A 77 60.986 -65.648 19.926 1.00 0.00 H ATOM 565 N VAL A 78 63.811 -64.684 20.222 1.00 15.36 N ATOM 566 CA VAL A 78 64.820 -63.702 19.874 1.00 17.23 C ATOM 567 C VAL A 78 66.228 -64.262 20.112 1.00 16.01 C ATOM 568 O VAL A 78 66.459 -65.033 21.046 1.00 16.56 O ATOM 569 CB VAL A 78 64.571 -62.375 20.632 1.00 20.46 C ATOM 570 CG1 VAL A 78 64.495 -62.613 22.143 1.00 21.78 C ATOM 571 CG2 VAL A 78 65.628 -61.334 20.270 1.00 24.96 C ATOM 572 H VAL A 78 63.053 -64.410 20.879 1.00 0.00 H ATOM 573 N LYS A 79 67.165 -63.884 19.253 1.00 17.09 N ATOM 574 CA LYS A 79 68.489 -64.494 19.234 1.00 17.59 C ATOM 575 C LYS A 79 69.499 -63.563 18.561 1.00 16.11 C ATOM 576 O LYS A 79 69.169 -62.892 17.581 1.00 17.39 O ATOM 577 CB LYS A 79 68.412 -65.820 18.470 1.00 19.16 C ATOM 578 CG LYS A 79 69.737 -66.531 18.255 1.00 25.58 C ATOM 579 CD LYS A 79 70.051 -67.459 19.412 1.00 28.78 C ATOM 580 CE LYS A 79 71.286 -68.295 19.137 1.00 29.67 C ATOM 581 NZ LYS A 79 72.376 -67.986 20.104 1.00 31.90 N ATOM 582 HZ1 LYS A 79 72.632 -66.981 20.026 1.00 0.00 H ATOM 583 HZ2 LYS A 79 72.048 -68.188 21.070 1.00 0.00 H ATOM 584 HZ3 LYS A 79 73.206 -68.574 19.889 1.00 0.00 H ATOM 585 H LYS A 79 66.949 -63.129 18.572 1.00 0.00 H ATOM 586 N SER A 80 70.721 -63.517 19.085 1.00 16.18 N ATOM 587 CA SER A 80 71.796 -62.776 18.430 1.00 15.40 C ATOM 588 C SER A 80 72.481 -63.709 17.443 1.00 17.49 C ATOM 589 O SER A 80 72.948 -64.790 17.814 1.00 20.74 O ATOM 590 CB SER A 80 72.802 -62.222 19.439 1.00 18.73 C ATOM 591 OG SER A 80 73.864 -61.553 18.777 1.00 23.04 O ATOM 592 HG SER A 80 73.499 -60.802 18.245 1.00 0.00 H ATOM 593 H SER A 80 70.914 -64.017 19.976 1.00 0.00 H ATOM 594 N ILE A 81 72.543 -63.276 16.186 1.00 15.06 N ATOM 595 CA ILE A 81 73.006 -64.108 15.085 1.00 14.85 C ATOM 596 C ILE A 81 74.139 -63.389 14.364 1.00 14.99 C ATOM 597 O ILE A 81 74.085 -62.173 14.168 1.00 15.96 O ATOM 598 CB ILE A 81 71.850 -64.358 14.096 1.00 19.72 C ATOM 599 CG1 ILE A 81 70.787 -65.252 14.742 1.00 25.34 C ATOM 600 CG2 ILE A 81 72.346 -64.975 12.814 1.00 25.04 C ATOM 601 CD1 ILE A 81 71.313 -66.614 15.150 1.00 28.02 C ATOM 602 H ILE A 81 72.248 -62.300 15.981 1.00 0.00 H ATOM 603 N ALA A 82 75.174 -64.137 13.995 1.00 14.23 N ATOM 604 CA ALA A 82 76.271 -63.562 13.218 1.00 15.83 C ATOM 605 C ALA A 82 75.887 -63.526 11.738 1.00 17.11 C ATOM 606 O ALA A 82 76.239 -64.426 10.983 1.00 16.65 O ATOM 607 CB ALA A 82 77.575 -64.363 13.426 1.00 18.19 C ATOM 608 H ALA A 82 75.204 -65.142 14.262 1.00 0.00 H ATOM 609 N TRP A 83 75.148 -62.499 11.324 1.00 17.49 N ATOM 610 CA TRP A 83 74.665 -62.447 9.948 1.00 18.36 C ATOM 611 C TRP A 83 75.837 -62.385 8.971 1.00 15.80 C ATOM 612 O TRP A 83 75.786 -62.959 7.879 1.00 18.44 O ATOM 613 CB TRP A 83 73.763 -61.236 9.732 1.00 18.10 C ATOM 614 CG TRP A 83 74.475 -59.951 9.922 1.00 15.34 C ATOM 615 CD1 TRP A 83 74.505 -59.195 11.051 1.00 14.82 C ATOM 616 CD2 TRP A 83 75.277 -59.261 8.951 1.00 16.71 C ATOM 617 NE1 TRP A 83 75.274 -58.067 10.848 1.00 15.67 N ATOM 618 CE2 TRP A 83 75.765 -58.090 9.569 1.00 19.42 C ATOM 619 CE3 TRP A 83 75.634 -59.521 7.625 1.00 14.42 C ATOM 620 CZ2 TRP A 83 76.582 -57.178 8.906 1.00 17.81 C ATOM 621 CZ3 TRP A 83 76.452 -58.615 6.969 1.00 17.68 C ATOM 622 CH2 TRP A 83 76.913 -57.456 7.607 1.00 17.38 C ATOM 623 HE1 TRP A 83 75.452 -57.321 11.551 1.00 0.00 H ATOM 624 H TRP A 83 74.914 -61.730 11.984 1.00 0.00 H ATOM 625 N ARG A 84 76.885 -61.672 9.352 1.00 16.68 N ATOM 626 CA ARG A 84 78.024 -61.464 8.459 1.00 18.26 C ATOM 627 C ARG A 84 78.776 -62.757 8.193 1.00 22.89 C ATOM 628 O ARG A 84 79.164 -63.035 7.062 1.00 28.49 O ATOM 629 CB ARG A 84 78.964 -60.407 9.030 1.00 18.96 C ATOM 630 CG ARG A 84 80.029 -59.906 8.067 1.00 23.45 C ATOM 631 CD ARG A 84 80.617 -58.598 8.577 1.00 30.44 C ATOM 632 NE ARG A 84 81.442 -58.818 9.761 1.00 35.43 N ATOM 633 CZ ARG A 84 81.809 -57.868 10.616 1.00 39.99 C ATOM 634 NH1 ARG A 84 81.421 -56.618 10.432 1.00 45.08 N ATOM 635 NH2 ARG A 84 82.562 -58.174 11.656 1.00 37.55 N ATOM 636 HE ARG A 84 81.766 -59.788 9.949 1.00 0.00 H ATOM 637 HH12 ARG A 84 81.711 -55.879 11.104 1.00 0.00 H ATOM 638 HH11 ARG A 84 80.826 -56.373 9.615 1.00 0.00 H ATOM 639 HH22 ARG A 84 82.850 -57.432 12.326 1.00 0.00 H ATOM 640 HH21 ARG A 84 82.867 -59.157 11.806 1.00 0.00 H ATOM 641 H ARG A 84 76.899 -61.252 10.303 1.00 0.00 H ATOM 642 N ALA A 85 78.974 -63.556 9.232 1.00 23.68 N ATOM 643 CA ALA A 85 79.680 -64.824 9.081 1.00 27.34 C ATOM 644 C ALA A 85 78.808 -65.882 8.413 1.00 27.20 C ATOM 645 O ALA A 85 79.304 -66.693 7.627 1.00 28.72 O ATOM 646 CB ALA A 85 80.190 -65.317 10.419 1.00 25.89 C ATOM 647 H ALA A 85 78.621 -63.275 10.169 1.00 0.00 H ATOM 648 N ARG A 86 77.510 -65.863 8.709 1.00 26.95 N ATOM 649 CA ARG A 86 76.585 -66.838 8.133 1.00 23.67 C ATOM 650 C ARG A 86 76.202 -66.561 6.670 1.00 27.47 C ATOM 651 O ARG A 86 75.893 -67.491 5.930 1.00 32.36 O ATOM 652 CB ARG A 86 75.341 -67.010 9.016 1.00 19.98 C ATOM 653 CG ARG A 86 75.643 -67.652 10.382 1.00 20.51 C ATOM 654 CD ARG A 86 74.381 -67.796 11.234 1.00 19.30 C ATOM 655 NE ARG A 86 74.649 -68.375 12.551 1.00 18.78 N ATOM 656 CZ ARG A 86 74.377 -69.632 12.892 1.00 22.37 C ATOM 657 NH1 ARG A 86 73.823 -70.461 12.012 1.00 26.15 N ATOM 658 NH2 ARG A 86 74.658 -70.064 14.114 1.00 19.79 N ATOM 659 HE ARG A 86 75.082 -67.761 13.270 1.00 0.00 H ATOM 660 HH12 ARG A 86 73.612 -71.443 12.283 1.00 0.00 H ATOM 661 HH11 ARG A 86 73.600 -70.128 11.052 1.00 0.00 H ATOM 662 HH22 ARG A 86 74.445 -71.047 14.380 1.00 0.00 H ATOM 663 HH21 ARG A 86 75.091 -69.420 14.806 1.00 0.00 H ATOM 664 H ARG A 86 77.147 -65.140 9.363 1.00 0.00 H ATOM 665 N GLY A 87 76.220 -65.297 6.251 1.00 24.15 N ATOM 666 CA GLY A 87 75.923 -64.952 4.865 1.00 28.09 C ATOM 667 C GLY A 87 74.470 -64.605 4.567 1.00 30.64 C ATOM 668 O GLY A 87 73.842 -65.162 3.659 1.00 35.91 O ATOM 669 H GLY A 87 76.451 -64.540 6.926 1.00 0.00 H ATOM 670 N ALA A 88 73.934 -63.655 5.316 1.00 24.83 N ATOM 671 CA ALA A 88 72.522 -63.323 5.220 1.00 18.21 C ATOM 672 C ALA A 88 72.179 -62.638 3.901 1.00 19.41 C ATOM 673 O ALA A 88 72.997 -61.902 3.339 1.00 21.20 O ATOM 674 CB ALA A 88 72.121 -62.443 6.399 1.00 14.67 C ATOM 675 H ALA A 88 74.535 -63.135 5.987 1.00 0.00 H ATOM 676 N THR A 89 70.978 -62.900 3.397 1.00 16.01 N ATOM 677 CA THR A 89 70.480 -62.187 2.216 1.00 13.96 C ATOM 678 C THR A 89 69.152 -61.476 2.509 1.00 13.27 C ATOM 679 O THR A 89 68.396 -61.877 3.416 1.00 15.31 O ATOM 680 CB THR A 89 70.325 -63.120 1.004 1.00 17.01 C ATOM 681 OG1 THR A 89 69.420 -64.179 1.322 1.00 19.13 O ATOM 682 CG2 THR A 89 71.678 -63.721 0.604 1.00 19.11 C ATOM 683 HG1 THR A 89 69.324 -64.776 0.538 1.00 0.00 H ATOM 684 H THR A 89 70.381 -63.623 3.847 1.00 0.00 H ATOM 685 N LYS A 90 68.850 -60.428 1.744 1.00 12.65 N ATOM 686 CA LYS A 90 67.651 -59.632 2.018 1.00 15.95 C ATOM 687 C LYS A 90 66.418 -60.125 1.263 1.00 13.51 C ATOM 688 O LYS A 90 66.386 -60.139 0.037 1.00 15.84 O ATOM 689 CB LYS A 90 67.899 -58.161 1.705 1.00 15.09 C ATOM 690 CG LYS A 90 66.734 -57.260 2.068 1.00 17.09 C ATOM 691 CD LYS A 90 67.019 -55.831 1.672 1.00 21.46 C ATOM 692 CE LYS A 90 65.938 -54.881 2.138 1.00 22.38 C ATOM 693 NZ LYS A 90 66.261 -53.486 1.723 1.00 26.24 N ATOM 694 HZ1 LYS A 90 67.168 -53.202 2.144 1.00 0.00 H ATOM 695 HZ2 LYS A 90 66.329 -53.441 0.686 1.00 0.00 H ATOM 696 HZ3 LYS A 90 65.510 -52.846 2.050 1.00 0.00 H ATOM 697 H LYS A 90 69.469 -60.174 0.948 1.00 0.00 H ATOM 698 N LYS A 91 65.391 -60.528 2.001 1.00 15.37 N ATOM 699 CA LYS A 91 64.141 -60.944 1.380 1.00 18.93 C ATOM 700 C LYS A 91 63.182 -59.765 1.203 1.00 20.29 C ATOM 701 O LYS A 91 62.357 -59.749 0.292 1.00 23.02 O ATOM 702 CB LYS A 91 63.459 -62.024 2.221 1.00 24.20 C ATOM 703 CG LYS A 91 62.186 -62.525 1.604 1.00 29.14 C ATOM 704 CD LYS A 91 62.472 -63.152 0.254 1.00 32.79 C ATOM 705 CE LYS A 91 61.191 -63.568 -0.443 1.00 37.73 C ATOM 706 NZ LYS A 91 61.463 -64.074 -1.813 1.00 40.07 N ATOM 707 HZ1 LYS A 91 61.918 -63.325 -2.374 1.00 0.00 H ATOM 708 HZ2 LYS A 91 62.094 -64.899 -1.758 1.00 0.00 H ATOM 709 HZ3 LYS A 91 60.567 -64.350 -2.263 1.00 0.00 H ATOM 710 H LYS A 91 65.480 -60.547 3.037 1.00 0.00 H ATOM 711 N GLY A 92 63.279 -58.786 2.095 1.00 19.21 N ATOM 712 CA GLY A 92 62.410 -57.625 2.037 1.00 19.32 C ATOM 713 C GLY A 92 62.398 -56.908 3.370 1.00 20.89 C ATOM 714 O GLY A 92 63.337 -57.024 4.144 1.00 22.98 O ATOM 715 H GLY A 92 63.991 -58.853 2.850 1.00 0.00 H ATOM 716 N THR A 93 61.340 -56.152 3.626 1.00 20.97 N ATOM 717 CA THR A 93 61.230 -55.409 4.867 1.00 23.41 C ATOM 718 C THR A 93 59.840 -55.614 5.426 1.00 20.89 C ATOM 719 O THR A 93 58.870 -55.620 4.693 1.00 24.35 O ATOM 720 CB THR A 93 61.477 -53.902 4.655 1.00 29.11 C ATOM 721 OG1 THR A 93 60.494 -53.368 3.756 1.00 34.98 O ATOM 722 CG2 THR A 93 62.868 -53.662 4.080 1.00 29.40 C ATOM 723 HG1 THR A 93 59.591 -53.501 4.140 1.00 0.00 H ATOM 724 H THR A 93 60.575 -56.090 2.924 1.00 0.00 H ATOM 725 N VAL A 94 59.767 -55.800 6.736 1.00 19.15 N ATOM 726 CA VAL A 94 58.499 -56.000 7.419 1.00 18.76 C ATOM 727 C VAL A 94 57.757 -54.679 7.580 1.00 21.47 C ATOM 728 O VAL A 94 58.370 -53.614 7.637 1.00 21.36 O ATOM 729 CB VAL A 94 58.746 -56.677 8.783 1.00 20.19 C ATOM 730 CG1 VAL A 94 57.475 -56.771 9.586 1.00 24.58 C ATOM 731 CG2 VAL A 94 59.381 -58.062 8.574 1.00 22.85 C ATOM 732 H VAL A 94 60.645 -55.803 7.294 1.00 0.00 H ATOM 733 N ALA A 95 56.430 -54.738 7.645 1.00 23.28 N ATOM 734 CA ALA A 95 55.658 -53.514 7.808 1.00 23.94 C ATOM 735 C ALA A 95 55.950 -52.934 9.193 1.00 23.49 C ATOM 736 O ALA A 95 56.197 -53.683 10.137 1.00 20.49 O ATOM 737 CB ALA A 95 54.169 -53.788 7.629 1.00 27.93 C ATOM 738 H ALA A 95 55.945 -55.656 7.580 1.00 0.00 H ATOM 739 N PRO A 96 55.934 -51.599 9.316 1.00 25.60 N ATOM 740 CA PRO A 96 56.210 -50.954 10.599 1.00 25.96 C ATOM 741 C PRO A 96 55.359 -51.541 11.717 1.00 25.51 C ATOM 742 O PRO A 96 55.880 -51.796 12.799 1.00 24.66 O ATOM 743 CB PRO A 96 55.811 -49.502 10.340 1.00 27.46 C ATOM 744 CG PRO A 96 56.127 -49.304 8.891 1.00 28.46 C ATOM 745 CD PRO A 96 55.758 -50.612 8.232 1.00 27.57 C ATOM 746 N GLU A 97 54.075 -51.765 11.459 1.00 25.96 N ATOM 747 CA GLU A 97 53.188 -52.276 12.503 1.00 23.95 C ATOM 748 C GLU A 97 53.634 -53.654 13.004 1.00 21.69 C ATOM 749 O GLU A 97 53.612 -53.920 14.210 1.00 19.92 O ATOM 750 CB GLU A 97 51.725 -52.306 12.037 1.00 27.63 C ATOM 751 CG GLU A 97 50.744 -52.695 13.155 1.00 32.84 C ATOM 752 CD GLU A 97 49.280 -52.429 12.815 1.00 37.24 C ATOM 753 OE1 GLU A 97 48.999 -51.578 11.942 1.00 39.60 O ATOM 754 OE2 GLU A 97 48.404 -53.073 13.431 1.00 38.14 O ATOM 755 H GLU A 97 53.698 -51.576 10.508 1.00 0.00 H ATOM 756 N GLU A 98 54.044 -54.524 12.080 1.00 17.89 N ATOM 757 CA GLU A 98 54.507 -55.859 12.440 1.00 20.13 C ATOM 758 C GLU A 98 55.808 -55.810 13.247 1.00 17.59 C ATOM 759 O GLU A 98 55.975 -56.557 14.218 1.00 18.23 O ATOM 760 CB GLU A 98 54.703 -56.710 11.184 1.00 24.85 C ATOM 761 CG GLU A 98 53.414 -57.031 10.443 1.00 33.39 C ATOM 762 CD GLU A 98 53.657 -57.813 9.166 1.00 43.95 C ATOM 763 OE1 GLU A 98 54.830 -57.941 8.760 1.00 49.46 O ATOM 764 OE2 GLU A 98 52.673 -58.298 8.569 1.00 46.09 O ATOM 765 H GLU A 98 54.033 -54.243 11.079 1.00 0.00 H ATOM 766 N LEU A 99 56.721 -54.925 12.858 1.00 18.66 N ATOM 767 CA LEU A 99 57.980 -54.765 13.576 1.00 17.17 C ATOM 768 C LEU A 99 57.693 -54.301 15.003 1.00 15.92 C ATOM 769 O LEU A 99 58.243 -54.829 15.971 1.00 17.66 O ATOM 770 CB LEU A 99 58.873 -53.747 12.870 1.00 20.75 C ATOM 771 CG LEU A 99 60.225 -53.469 13.528 1.00 23.81 C ATOM 772 CD1 LEU A 99 61.049 -54.751 13.678 1.00 25.40 C ATOM 773 CD2 LEU A 99 60.984 -52.425 12.715 1.00 24.06 C ATOM 774 H LEU A 99 56.533 -54.334 12.023 1.00 0.00 H ATOM 775 N GLN A 100 56.823 -53.308 15.116 1.00 15.59 N ATOM 776 CA GLN A 100 56.423 -52.790 16.416 1.00 15.94 C ATOM 777 C GLN A 100 55.821 -53.876 17.310 1.00 15.41 C ATOM 778 O GLN A 100 56.113 -53.925 18.507 1.00 15.22 O ATOM 779 CB GLN A 100 55.440 -51.632 16.249 1.00 18.94 C ATOM 780 CG GLN A 100 54.901 -51.090 17.561 1.00 20.42 C ATOM 781 CD GLN A 100 55.987 -50.453 18.413 1.00 23.09 C ATOM 782 OE1 GLN A 100 57.103 -50.211 17.944 1.00 23.22 O ATOM 783 NE2 GLN A 100 55.666 -50.181 19.675 1.00 26.97 N ATOM 784 HE22 GLN A 100 54.713 -50.402 20.028 1.00 0.00 H ATOM 785 HE21 GLN A 100 56.368 -49.747 20.308 1.00 0.00 H ATOM 786 H GLN A 100 56.416 -52.889 14.255 1.00 0.00 H ATOM 787 N LEU A 101 54.986 -54.734 16.732 1.00 14.07 N ATOM 788 CA LEU A 101 54.308 -55.790 17.494 1.00 12.79 C ATOM 789 C LEU A 101 55.307 -56.812 18.041 1.00 11.34 C ATOM 790 O LEU A 101 55.213 -57.240 19.200 1.00 13.98 O ATOM 791 CB LEU A 101 53.262 -56.494 16.630 1.00 14.78 C ATOM 792 CG LEU A 101 52.364 -57.490 17.361 1.00 18.16 C ATOM 793 CD1 LEU A 101 51.789 -56.823 18.593 1.00 20.31 C ATOM 794 CD2 LEU A 101 51.255 -58.013 16.456 1.00 22.48 C ATOM 795 H LEU A 101 54.808 -54.655 15.710 1.00 0.00 H ATOM 796 N ILE A 102 56.255 -57.216 17.199 1.00 11.51 N ATOM 797 CA ILE A 102 57.304 -58.131 17.623 1.00 13.47 C ATOM 798 C ILE A 102 58.076 -57.533 18.811 1.00 13.84 C ATOM 799 O ILE A 102 58.273 -58.182 19.839 1.00 12.74 O ATOM 800 CB ILE A 102 58.262 -58.435 16.436 1.00 14.72 C ATOM 801 CG1 ILE A 102 57.499 -59.167 15.320 1.00 14.58 C ATOM 802 CG2 ILE A 102 59.493 -59.208 16.905 1.00 15.06 C ATOM 803 CD1 ILE A 102 58.363 -59.376 14.016 1.00 14.73 C ATOM 804 H ILE A 102 56.246 -56.871 16.218 1.00 0.00 H ATOM 805 N LYS A 103 58.491 -56.283 18.665 1.00 11.35 N ATOM 806 CA LYS A 103 59.287 -55.616 19.679 1.00 11.54 C ATOM 807 C LYS A 103 58.507 -55.467 20.970 1.00 15.62 C ATOM 808 O LYS A 103 59.065 -55.628 22.054 1.00 15.62 O ATOM 809 CB LYS A 103 59.716 -54.243 19.183 1.00 15.09 C ATOM 810 CG LYS A 103 60.796 -54.296 18.131 1.00 19.00 C ATOM 811 CD LYS A 103 61.199 -52.906 17.695 1.00 20.21 C ATOM 812 CE LYS A 103 62.389 -52.956 16.743 1.00 24.26 C ATOM 813 NZ LYS A 103 63.161 -51.684 16.758 1.00 24.80 N ATOM 814 HZ1 LYS A 103 62.542 -50.901 16.467 1.00 0.00 H ATOM 815 HZ2 LYS A 103 63.517 -51.508 17.719 1.00 0.00 H ATOM 816 HZ3 LYS A 103 63.961 -51.758 16.098 1.00 0.00 H ATOM 817 H LYS A 103 58.239 -55.765 17.799 1.00 0.00 H ATOM 818 N ALA A 104 57.225 -55.153 20.843 1.00 14.74 N ATOM 819 CA ALA A 104 56.383 -54.932 22.018 1.00 14.42 C ATOM 820 C ALA A 104 56.244 -56.223 22.806 1.00 14.43 C ATOM 821 O ALA A 104 56.262 -56.218 24.047 1.00 14.82 O ATOM 822 CB ALA A 104 55.024 -54.411 21.611 1.00 15.80 C ATOM 823 H ALA A 104 56.812 -55.062 19.893 1.00 0.00 H ATOM 824 N LYS A 105 56.103 -57.338 22.096 1.00 12.84 N ATOM 825 CA LYS A 105 55.938 -58.613 22.790 1.00 14.20 C ATOM 826 C LYS A 105 57.219 -58.986 23.542 1.00 12.32 C ATOM 827 O LYS A 105 57.163 -59.463 24.664 1.00 15.96 O ATOM 828 CB LYS A 105 55.482 -59.712 21.836 1.00 12.68 C ATOM 829 CG LYS A 105 54.067 -59.503 21.309 1.00 11.90 C ATOM 830 CD LYS A 105 53.650 -60.653 20.407 1.00 13.82 C ATOM 831 CE LYS A 105 52.299 -60.415 19.746 1.00 14.31 C ATOM 832 NZ LYS A 105 51.198 -60.575 20.733 1.00 17.01 N ATOM 833 HZ1 LYS A 105 51.219 -61.540 21.120 1.00 0.00 H ATOM 834 HZ2 LYS A 105 51.322 -59.888 21.504 1.00 0.00 H ATOM 835 HZ3 LYS A 105 50.285 -60.409 20.263 1.00 0.00 H ATOM 836 H LYS A 105 56.110 -57.303 21.057 1.00 0.00 H ATOM 837 N ILE A 106 58.377 -58.750 22.938 1.00 12.19 N ATOM 838 CA ILE A 106 59.641 -58.983 23.631 1.00 12.61 C ATOM 839 C ILE A 106 59.756 -58.065 24.858 1.00 12.67 C ATOM 840 O ILE A 106 60.171 -58.483 25.949 1.00 14.51 O ATOM 841 CB ILE A 106 60.825 -58.776 22.676 1.00 14.58 C ATOM 842 CG1 ILE A 106 60.742 -59.811 21.561 1.00 14.41 C ATOM 843 CG2 ILE A 106 62.152 -58.900 23.434 1.00 15.14 C ATOM 844 CD1 ILE A 106 61.628 -59.507 20.347 1.00 15.86 C ATOM 845 H ILE A 106 58.384 -58.395 21.960 1.00 0.00 H ATOM 846 N ASN A 107 59.345 -56.819 24.684 1.00 13.33 N ATOM 847 CA ASN A 107 59.424 -55.826 25.752 1.00 14.81 C ATOM 848 C ASN A 107 58.643 -56.247 26.996 1.00 15.44 C ATOM 849 O ASN A 107 59.064 -55.971 28.113 1.00 16.15 O ATOM 850 CB ASN A 107 58.936 -54.479 25.229 1.00 16.98 C ATOM 851 CG ASN A 107 59.189 -53.349 26.188 1.00 23.32 C ATOM 852 OD1 ASN A 107 60.330 -52.944 26.394 1.00 25.51 O ATOM 853 ND2 ASN A 107 58.120 -52.816 26.770 1.00 26.91 N ATOM 854 HD22 ASN A 107 57.173 -53.194 26.564 1.00 0.00 H ATOM 855 HD21 ASN A 107 58.230 -52.021 27.432 1.00 0.00 H ATOM 856 H ASN A 107 58.955 -56.539 23.761 1.00 0.00 H ATOM 857 N VAL A 108 57.512 -56.915 26.803 1.00 16.56 N ATOM 858 CA VAL A 108 56.735 -57.413 27.940 1.00 16.36 C ATOM 859 C VAL A 108 57.591 -58.332 28.800 1.00 15.90 C ATOM 860 O VAL A 108 57.484 -58.326 30.025 1.00 20.95 O ATOM 861 CB VAL A 108 55.491 -58.204 27.488 1.00 18.07 C ATOM 862 CG1 VAL A 108 54.896 -58.971 28.655 1.00 18.51 C ATOM 863 CG2 VAL A 108 54.447 -57.278 26.854 1.00 18.92 C ATOM 864 H VAL A 108 57.174 -57.086 25.834 1.00 0.00 H ATOM 865 N LEU A 109 58.449 -59.121 28.163 1.00 13.84 N ATOM 866 CA LEU A 109 59.244 -60.104 28.890 1.00 13.93 C ATOM 867 C LEU A 109 60.532 -59.559 29.507 1.00 15.77 C ATOM 868 O LEU A 109 60.916 -59.964 30.613 1.00 16.84 O ATOM 869 CB LEU A 109 59.591 -61.285 27.974 1.00 15.54 C ATOM 870 CG LEU A 109 58.405 -62.120 27.498 1.00 18.01 C ATOM 871 CD1 LEU A 109 58.878 -63.203 26.555 1.00 20.66 C ATOM 872 CD2 LEU A 109 57.658 -62.717 28.688 1.00 18.13 C ATOM 873 H LEU A 109 58.555 -59.037 27.132 1.00 0.00 H ATOM 874 N ILE A 110 61.220 -58.662 28.801 1.00 14.15 N ATOM 875 CA ILE A 110 62.546 -58.270 29.255 1.00 15.18 C ATOM 876 C ILE A 110 62.819 -56.762 29.248 1.00 17.54 C ATOM 877 O ILE A 110 63.949 -56.326 29.468 1.00 18.33 O ATOM 878 CB ILE A 110 63.624 -59.018 28.462 1.00 13.21 C ATOM 879 CG1 ILE A 110 63.523 -58.648 26.983 1.00 17.84 C ATOM 880 CG2 ILE A 110 63.451 -60.517 28.650 1.00 15.22 C ATOM 881 CD1 ILE A 110 64.713 -59.102 26.174 1.00 20.31 C ATOM 882 H ILE A 110 60.815 -58.248 27.937 1.00 0.00 H ATOM 883 N GLY A 111 61.779 -55.968 29.019 1.00 17.32 N ATOM 884 CA GLY A 111 61.921 -54.526 29.013 1.00 17.05 C ATOM 885 C GLY A 111 62.106 -53.951 30.409 1.00 16.98 C ATOM 886 O GLY A 111 61.546 -54.460 31.383 1.00 21.73 O ATOM 887 H GLY A 111 60.845 -56.389 28.841 1.00 0.00 H ATOM 888 N LEU A 112 62.886 -52.878 30.505 1.00 16.72 N ATOM 889 CA LEU A 112 63.224 -52.228 31.781 1.00 18.67 C ATOM 890 C LEU A 112 61.841 -51.607 32.335 1.00 21.68 C ATOM 891 O LEU A 112 61.616 -51.614 33.543 1.00 21.34 O ATOM 892 CB LEU A 112 64.329 -51.171 31.646 1.00 20.77 C ATOM 893 CG LEU A 112 64.802 -50.496 32.929 1.00 23.47 C ATOM 894 CD1 LEU A 112 65.455 -51.504 33.855 1.00 26.29 C ATOM 895 CD2 LEU A 112 65.759 -49.369 32.601 1.00 21.78 C ATOM 896 H LEU A 112 63.279 -52.476 29.630 1.00 0.00 H ATOM 897 N SER A 113 60.990 -51.086 31.454 1.00 24.57 N ATOM 898 CA SER A 113 59.744 -50.463 31.898 1.00 28.93 C ATOM 899 C SER A 113 58.845 -51.452 32.643 1.00 29.13 C ATOM 900 O SER A 113 58.191 -51.093 33.627 1.00 33.20 O ATOM 901 CB SER A 113 58.990 -49.849 30.715 1.00 34.98 C ATOM 902 OG SER A 113 59.793 -48.907 30.023 1.00 38.59 O ATOM 903 HG SER A 113 59.278 -48.529 29.266 1.00 0.00 H ATOM 904 H SER A 113 61.214 -51.122 30.439 1.00 0.00 H ATOM 905 N HIS A 114 58.819 -52.697 32.176 1.00 27.17 N ATOM 906 CA HIS A 114 58.023 -53.744 32.812 1.00 29.13 C ATOM 907 C HIS A 114 58.739 -54.396 33.983 1.00 31.10 C ATOM 908 O HIS A 114 58.100 -54.926 34.893 1.00 31.89 O ATOM 909 CB HIS A 114 57.629 -54.811 31.793 1.00 32.26 C ATOM 910 CG HIS A 114 56.598 -54.347 30.821 1.00 35.82 C ATOM 911 ND1 HIS A 114 55.266 -54.220 31.156 1.00 40.22 N ATOM 912 CD2 HIS A 114 56.703 -53.956 29.529 1.00 35.98 C ATOM 913 CE1 HIS A 114 54.593 -53.783 30.106 1.00 39.24 C ATOM 914 NE2 HIS A 114 55.442 -53.613 29.108 1.00 37.77 N ATOM 915 H HIS A 114 59.382 -52.932 31.334 1.00 0.00 H ATOM 916 N HIS A 115 60.066 -54.368 33.953 1.00 28.72 N ATOM 917 CA HIS A 115 60.855 -54.972 35.018 1.00 28.59 C ATOM 918 C HIS A 115 60.347 -54.561 36.397 1.00 28.69 C ATOM 919 O HIS A 115 60.224 -55.391 37.298 1.00 27.10 O ATOM 920 CB HIS A 115 62.322 -54.583 34.884 1.00 28.52 C ATOM 921 CG HIS A 115 63.144 -54.946 36.080 1.00 27.42 C ATOM 922 ND1 HIS A 115 63.647 -56.211 36.282 1.00 28.52 N ATOM 923 CD2 HIS A 115 63.521 -54.211 37.154 1.00 26.13 C ATOM 924 CE1 HIS A 115 64.317 -56.238 37.424 1.00 30.19 C ATOM 925 NE2 HIS A 115 64.254 -55.038 37.970 1.00 27.89 N ATOM 926 H HIS A 115 60.550 -53.907 33.156 1.00 0.00 H ATOM 927 N HIS A 116 60.052 -53.278 36.561 1.00 31.22 N ATOM 928 CA HIS A 116 59.694 -52.748 37.874 1.00 35.24 C ATOM 929 C HIS A 116 58.274 -53.109 38.317 1.00 36.41 C ATOM 930 O HIS A 116 57.837 -52.726 39.405 1.00 37.17 O ATOM 931 CB HIS A 116 59.927 -51.235 37.921 1.00 35.75 C ATOM 932 CG HIS A 116 61.361 -50.848 37.724 1.00 40.29 C ATOM 933 ND1 HIS A 116 62.242 -50.689 38.774 1.00 41.29 N ATOM 934 CD2 HIS A 116 62.076 -50.613 36.597 1.00 39.86 C ATOM 935 CE1 HIS A 116 63.432 -50.363 38.302 1.00 40.94 C ATOM 936 NE2 HIS A 116 63.359 -50.310 36.984 1.00 39.86 N ATOM 937 H HIS A 116 60.076 -52.639 35.741 1.00 0.00 H ATOM 938 N HIS A 117 57.578 -53.879 37.496 1.00 38.01 N ATOM 939 CA HIS A 117 56.263 -54.353 37.872 1.00 39.97 C ATOM 940 C HIS A 117 56.319 -55.730 38.525 1.00 39.00 C ATOM 941 O HIS A 117 55.289 -56.274 38.900 1.00 38.90 O ATOM 942 CB HIS A 117 55.336 -54.379 36.656 1.00 45.31 C ATOM 943 CG HIS A 117 54.965 -53.020 36.156 1.00 50.88 C ATOM 944 ND1 HIS A 117 54.821 -51.936 36.993 1.00 53.38 N ATOM 945 CD2 HIS A 117 54.710 -52.566 34.906 1.00 53.42 C ATOM 946 CE1 HIS A 117 54.494 -50.872 36.283 1.00 53.91 C ATOM 947 NE2 HIS A 117 54.423 -51.227 35.013 1.00 54.63 N ATOM 948 H HIS A 117 57.979 -54.145 36.574 1.00 0.00 H ATOM 949 N HIS A 118 57.528 -56.280 38.556 1.00 37.58 N ATOM 950 CA HIS A 118 57.796 -57.595 39.106 1.00 42.19 C ATOM 951 C HIS A 118 58.832 -57.468 40.203 1.00 45.02 C ATOM 952 O HIS A 118 58.703 -58.065 41.261 1.00 44.32 O ATOM 953 CB HIS A 118 58.362 -58.527 38.029 1.00 44.04 C ATOM 954 CG HIS A 118 57.484 -58.681 36.828 1.00 44.31 C ATOM 955 ND1 HIS A 118 56.373 -59.495 36.820 1.00 46.17 N ATOM 956 CD2 HIS A 118 57.564 -58.142 35.589 1.00 42.32 C ATOM 957 CE1 HIS A 118 55.800 -59.442 35.631 1.00 45.86 C ATOM 958 NE2 HIS A 118 56.505 -58.630 34.866 1.00 43.97 N ATOM 959 H HIS A 118 58.325 -55.738 38.165 1.00 0.00 H ATOM 960 N HIS A 119 59.843 -56.636 40.000 1.00 49.83 N ATOM 961 CA HIS A 119 60.789 -56.408 41.079 1.00 53.91 C ATOM 962 C HIS A 119 62.100 -55.781 40.637 1.00 55.50 C ATOM 963 O HIS A 119 62.741 -56.260 39.712 1.00 57.54 O ATOM 964 CB HIS A 119 61.062 -57.724 41.789 1.00 56.59 C ATOM 965 CG HIS A 119 62.275 -58.439 41.287 1.00 58.00 C ATOM 966 ND1 HIS A 119 62.293 -59.796 41.055 1.00 58.76 N ATOM 967 CD2 HIS A 119 63.520 -57.992 41.005 1.00 57.14 C ATOM 968 CE1 HIS A 119 63.494 -60.152 40.640 1.00 58.49 C ATOM 969 NE2 HIS A 119 64.257 -59.076 40.602 1.00 57.00 N ATOM 970 H HIS A 119 59.957 -56.155 39.085 1.00 0.00 H TER 971 HIS A 119 ATOM 972 N SER B 3 58.416 -77.614 44.599 1.00 47.89 N ATOM 973 CA SER B 3 58.993 -78.755 43.899 1.00 48.00 C ATOM 974 C SER B 3 60.149 -78.344 42.999 1.00 45.28 C ATOM 975 O SER B 3 61.089 -77.693 43.438 1.00 48.14 O ATOM 976 CB SER B 3 57.929 -79.469 43.067 1.00 49.38 C ATOM 977 OG SER B 3 57.169 -78.554 42.300 1.00 50.05 O ATOM 978 HG SER B 3 56.491 -79.049 41.775 1.00 0.00 H ATOM 979 HN3 SER B 3 58.060 -76.927 43.904 1.00 0.00 H ATOM 980 HN2 SER B 3 59.146 -77.166 45.189 1.00 0.00 H ATOM 981 HN1 SER B 3 57.632 -77.938 45.201 1.00 0.00 H ATOM 982 N ARG B 4 60.079 -78.746 41.735 1.00 37.27 N ATOM 983 CA ARG B 4 61.030 -78.393 40.711 1.00 31.56 C ATOM 984 C ARG B 4 61.320 -76.916 40.726 1.00 27.78 C ATOM 985 O ARG B 4 60.381 -76.135 40.774 1.00 27.27 O ATOM 986 CB ARG B 4 60.461 -78.772 39.342 1.00 31.37 C ATOM 987 CG ARG B 4 61.340 -79.665 38.488 1.00 31.50 C ATOM 988 CD ARG B 4 61.186 -79.349 36.993 1.00 25.75 C ATOM 989 NE ARG B 4 62.476 -79.050 36.384 1.00 22.75 N ATOM 990 CZ ARG B 4 62.836 -79.421 35.162 1.00 20.21 C ATOM 991 NH1 ARG B 4 64.037 -79.100 34.704 1.00 20.94 N ATOM 992 NH2 ARG B 4 61.998 -80.105 34.400 1.00 20.52 N ATOM 993 HE ARG B 4 63.162 -78.508 36.947 1.00 0.00 H ATOM 994 HH12 ARG B 4 64.323 -79.389 33.747 1.00 0.00 H ATOM 995 HH11 ARG B 4 64.694 -78.559 35.302 1.00 0.00 H ATOM 996 HH22 ARG B 4 62.283 -80.394 33.443 1.00 0.00 H ATOM 997 HH21 ARG B 4 61.054 -80.353 34.758 1.00 0.00 H ATOM 998 H ARG B 4 59.283 -79.358 41.465 1.00 0.00 H ATOM 999 N TYR B 5 62.576 -76.522 40.618 1.00 22.10 N ATOM 1000 CA TYR B 5 62.938 -75.122 40.502 1.00 19.93 C ATOM 1001 C TYR B 5 62.457 -74.565 39.160 1.00 15.59 C ATOM 1002 O TYR B 5 62.602 -75.218 38.136 1.00 18.53 O ATOM 1003 CB TYR B 5 64.450 -74.985 40.621 1.00 19.29 C ATOM 1004 CG TYR B 5 65.005 -73.702 40.068 1.00 20.82 C ATOM 1005 CD1 TYR B 5 64.677 -72.483 40.630 1.00 22.05 C ATOM 1006 CD2 TYR B 5 65.869 -73.713 38.987 1.00 21.32 C ATOM 1007 CE1 TYR B 5 65.184 -71.314 40.128 1.00 19.51 C ATOM 1008 CE2 TYR B 5 66.381 -72.553 38.484 1.00 21.01 C ATOM 1009 CZ TYR B 5 66.041 -71.354 39.057 1.00 20.77 C ATOM 1010 OH TYR B 5 66.554 -70.198 38.545 1.00 18.89 O ATOM 1011 HH TYR B 5 66.214 -69.428 39.067 1.00 0.00 H ATOM 1012 H TYR B 5 63.330 -77.239 40.616 1.00 0.00 H ATOM 1013 N VAL B 6 61.889 -73.362 39.187 1.00 14.84 N ATOM 1014 CA VAL B 6 61.456 -72.640 37.995 1.00 14.34 C ATOM 1015 C VAL B 6 62.152 -71.284 37.961 1.00 12.35 C ATOM 1016 O VAL B 6 61.980 -70.484 38.864 1.00 14.28 O ATOM 1017 CB VAL B 6 59.942 -72.381 38.009 1.00 13.04 C ATOM 1018 CG1 VAL B 6 59.538 -71.562 36.795 1.00 14.42 C ATOM 1019 CG2 VAL B 6 59.175 -73.681 38.061 1.00 16.49 C ATOM 1020 H VAL B 6 61.745 -72.910 40.112 1.00 0.00 H ATOM 1021 N PRO B 7 62.940 -71.031 36.926 1.00 15.06 N ATOM 1022 CA PRO B 7 63.715 -69.793 36.857 1.00 18.01 C ATOM 1023 C PRO B 7 62.849 -68.554 37.021 1.00 17.56 C ATOM 1024 O PRO B 7 61.705 -68.536 36.600 1.00 15.94 O ATOM 1025 CB PRO B 7 64.314 -69.843 35.450 1.00 15.53 C ATOM 1026 CG PRO B 7 64.474 -71.285 35.186 1.00 16.17 C ATOM 1027 CD PRO B 7 63.280 -71.939 35.818 1.00 16.36 C ATOM 1028 N ASP B 8 63.417 -67.529 37.642 1.00 17.29 N ATOM 1029 CA ASP B 8 62.745 -66.243 37.769 1.00 16.71 C ATOM 1030 C ASP B 8 63.773 -65.167 37.472 1.00 14.04 C ATOM 1031 O ASP B 8 64.975 -65.428 37.508 1.00 11.33 O ATOM 1032 CB ASP B 8 62.173 -66.090 39.177 1.00 18.65 C ATOM 1033 CG ASP B 8 61.156 -64.962 39.285 1.00 27.00 C ATOM 1034 OD1 ASP B 8 60.919 -64.235 38.286 1.00 22.71 O ATOM 1035 OD2 ASP B 8 60.592 -64.805 40.392 1.00 35.17 O ATOM 1036 H ASP B 8 64.367 -67.646 38.049 1.00 0.00 H ATOM 1037 N MET B 9 63.318 -63.968 37.136 1.00 14.38 N ATOM 1038 CA MET B 9 64.253 -62.954 36.648 1.00 15.82 C ATOM 1039 C MET B 9 65.282 -62.592 37.721 1.00 12.97 C ATOM 1040 O MET B 9 64.960 -62.479 38.900 1.00 15.06 O ATOM 1041 CB MET B 9 63.524 -61.716 36.142 1.00 18.05 C ATOM 1042 CG MET B 9 62.923 -60.881 37.235 1.00 22.10 C ATOM 1043 SD MET B 9 62.215 -59.385 36.534 1.00 26.63 S ATOM 1044 CE MET B 9 60.800 -60.064 35.674 1.00 31.43 C ATOM 1045 H MET B 9 62.304 -63.750 37.219 1.00 0.00 H ATOM 1046 N GLY B 10 66.535 -62.461 37.312 1.00 13.14 N ATOM 1047 CA GLY B 10 67.591 -62.126 38.240 1.00 15.46 C ATOM 1048 C GLY B 10 68.354 -63.338 38.738 1.00 16.41 C ATOM 1049 O GLY B 10 69.437 -63.195 39.309 1.00 15.99 O ATOM 1050 H GLY B 10 66.763 -62.601 36.307 1.00 0.00 H ATOM 1051 N ASP B 11 67.800 -64.532 38.523 1.00 14.55 N ATOM 1052 CA ASP B 11 68.499 -65.758 38.893 1.00 12.99 C ATOM 1053 C ASP B 11 69.769 -65.955 38.073 1.00 11.93 C ATOM 1054 O ASP B 11 69.778 -65.764 36.846 1.00 12.65 O ATOM 1055 CB ASP B 11 67.601 -66.986 38.728 1.00 14.60 C ATOM 1056 CG ASP B 11 66.470 -67.037 39.753 1.00 15.87 C ATOM 1057 OD1 ASP B 11 66.423 -66.148 40.638 1.00 15.43 O ATOM 1058 OD2 ASP B 11 65.625 -67.962 39.667 1.00 17.70 O ATOM 1059 H ASP B 11 66.858 -64.590 38.086 1.00 0.00 H ATOM 1060 N LEU B 12 70.844 -66.276 38.776 1.00 10.80 N ATOM 1061 CA LEU B 12 72.065 -66.757 38.159 1.00 13.87 C ATOM 1062 C LEU B 12 71.983 -68.278 38.090 1.00 13.52 C ATOM 1063 O LEU B 12 72.081 -68.951 39.113 1.00 15.84 O ATOM 1064 CB LEU B 12 73.276 -66.343 38.989 1.00 16.32 C ATOM 1065 CG LEU B 12 74.606 -66.737 38.352 1.00 18.45 C ATOM 1066 CD1 LEU B 12 74.800 -65.943 37.075 1.00 17.56 C ATOM 1067 CD2 LEU B 12 75.772 -66.524 39.305 1.00 18.73 C ATOM 1068 H LEU B 12 70.812 -66.179 39.811 1.00 0.00 H ATOM 1069 N ILE B 13 71.790 -68.819 36.894 1.00 14.61 N ATOM 1070 CA ILE B 13 71.645 -70.259 36.736 1.00 16.51 C ATOM 1071 C ILE B 13 72.844 -70.892 36.049 1.00 16.90 C ATOM 1072 O ILE B 13 73.635 -70.221 35.364 1.00 16.02 O ATOM 1073 CB ILE B 13 70.352 -70.643 35.965 1.00 14.71 C ATOM 1074 CG1 ILE B 13 70.395 -70.136 34.512 1.00 16.65 C ATOM 1075 CG2 ILE B 13 69.119 -70.095 36.665 1.00 14.12 C ATOM 1076 CD1 ILE B 13 69.160 -70.519 33.699 1.00 15.90 C ATOM 1077 H ILE B 13 71.742 -68.205 36.056 1.00 0.00 H ATOM 1078 N TRP B 14 72.974 -72.196 36.255 1.00 16.64 N ATOM 1079 CA TRP B 14 73.891 -73.007 35.472 1.00 15.76 C ATOM 1080 C TRP B 14 73.085 -73.867 34.517 1.00 17.22 C ATOM 1081 O TRP B 14 72.084 -74.479 34.897 1.00 18.78 O ATOM 1082 CB TRP B 14 74.765 -73.884 36.370 1.00 18.16 C ATOM 1083 CG TRP B 14 75.938 -73.151 36.949 1.00 20.57 C ATOM 1084 CD1 TRP B 14 76.195 -71.810 36.859 1.00 22.24 C ATOM 1085 CD2 TRP B 14 77.012 -73.715 37.709 1.00 25.07 C ATOM 1086 NE1 TRP B 14 77.366 -71.509 37.516 1.00 26.53 N ATOM 1087 CE2 TRP B 14 77.887 -72.662 38.045 1.00 27.40 C ATOM 1088 CE3 TRP B 14 77.323 -75.012 38.134 1.00 30.66 C ATOM 1089 CZ2 TRP B 14 79.054 -72.865 38.783 1.00 30.50 C ATOM 1090 CZ3 TRP B 14 78.485 -75.212 38.873 1.00 32.17 C ATOM 1091 CH2 TRP B 14 79.332 -74.144 39.193 1.00 32.20 C ATOM 1092 HE1 TRP B 14 77.787 -70.562 37.598 1.00 0.00 H ATOM 1093 H TRP B 14 72.404 -72.650 36.997 1.00 0.00 H ATOM 1094 N VAL B 15 73.515 -73.887 33.261 1.00 15.39 N ATOM 1095 CA VAL B 15 72.940 -74.779 32.266 1.00 18.63 C ATOM 1096 C VAL B 15 74.062 -75.603 31.644 1.00 19.95 C ATOM 1097 O VAL B 15 75.229 -75.204 31.669 1.00 21.04 O ATOM 1098 CB VAL B 15 72.158 -74.010 31.168 1.00 17.71 C ATOM 1099 CG1 VAL B 15 70.949 -73.285 31.762 1.00 19.26 C ATOM 1100 CG2 VAL B 15 73.066 -73.030 30.429 1.00 18.65 C ATOM 1101 H VAL B 15 74.285 -73.247 32.980 1.00 0.00 H ATOM 1102 N ASP B 16 73.718 -76.761 31.097 1.00 23.06 N ATOM 1103 CA ASP B 16 74.720 -77.606 30.467 1.00 26.19 C ATOM 1104 C ASP B 16 75.195 -76.971 29.164 1.00 24.98 C ATOM 1105 O ASP B 16 74.422 -76.302 28.474 1.00 26.26 O ATOM 1106 CB ASP B 16 74.143 -78.999 30.187 1.00 32.97 C ATOM 1107 CG ASP B 16 73.536 -79.645 31.425 1.00 39.35 C ATOM 1108 OD1 ASP B 16 74.277 -79.855 32.408 1.00 42.47 O ATOM 1109 OD2 ASP B 16 72.323 -79.959 31.410 1.00 41.06 O ATOM 1110 H ASP B 16 72.724 -77.067 31.119 1.00 0.00 H ATOM 1111 N PHE B 17 76.473 -77.158 28.845 1.00 21.54 N ATOM 1112 CA PHE B 17 76.923 -76.926 27.481 1.00 20.54 C ATOM 1113 C PHE B 17 76.218 -77.949 26.593 1.00 21.81 C ATOM 1114 O PHE B 17 76.187 -79.143 26.909 1.00 24.09 O ATOM 1115 CB PHE B 17 78.446 -77.064 27.361 1.00 18.50 C ATOM 1116 CG PHE B 17 79.205 -75.960 28.034 1.00 21.57 C ATOM 1117 CD1 PHE B 17 79.333 -74.718 27.424 1.00 22.74 C ATOM 1118 CD2 PHE B 17 79.783 -76.158 29.276 1.00 23.31 C ATOM 1119 CE1 PHE B 17 80.023 -73.689 28.042 1.00 22.82 C ATOM 1120 CE2 PHE B 17 80.473 -75.137 29.903 1.00 22.66 C ATOM 1121 CZ PHE B 17 80.598 -73.896 29.284 1.00 23.26 C ATOM 1122 H PHE B 17 77.150 -77.470 29.570 1.00 0.00 H ATOM 1123 N ASP B 18 75.638 -77.474 25.494 1.00 18.97 N ATOM 1124 CA ASP B 18 74.884 -78.321 24.580 1.00 18.88 C ATOM 1125 C ASP B 18 75.819 -79.406 24.038 1.00 19.68 C ATOM 1126 O ASP B 18 76.795 -79.099 23.352 1.00 19.25 O ATOM 1127 CB ASP B 18 74.312 -77.466 23.444 1.00 20.76 C ATOM 1128 CG ASP B 18 73.411 -78.249 22.506 1.00 21.66 C ATOM 1129 OD1 ASP B 18 73.693 -79.434 22.255 1.00 21.97 O ATOM 1130 OD2 ASP B 18 72.427 -77.666 21.995 1.00 23.56 O ATOM 1131 H ASP B 18 75.726 -76.460 25.280 1.00 0.00 H ATOM 1132 N PRO B 19 75.526 -80.679 24.348 1.00 21.29 N ATOM 1133 CA PRO B 19 76.482 -81.739 24.011 1.00 19.37 C ATOM 1134 C PRO B 19 76.651 -81.973 22.507 1.00 17.20 C ATOM 1135 O PRO B 19 77.546 -82.730 22.124 1.00 20.34 O ATOM 1136 CB PRO B 19 75.887 -82.979 24.696 1.00 20.16 C ATOM 1137 CG PRO B 19 74.424 -82.702 24.765 1.00 19.71 C ATOM 1138 CD PRO B 19 74.315 -81.211 25.004 1.00 22.76 C ATOM 1139 N THR B 20 75.820 -81.340 21.681 1.00 14.74 N ATOM 1140 CA THR B 20 75.945 -81.488 20.225 1.00 19.25 C ATOM 1141 C THR B 20 76.778 -80.387 19.577 1.00 20.07 C ATOM 1142 O THR B 20 77.134 -80.492 18.402 1.00 22.85 O ATOM 1143 CB THR B 20 74.570 -81.507 19.502 1.00 20.29 C ATOM 1144 OG1 THR B 20 73.911 -80.238 19.655 1.00 18.20 O ATOM 1145 CG2 THR B 20 73.688 -82.636 20.015 1.00 21.61 C ATOM 1146 HG1 THR B 20 73.769 -80.055 20.618 1.00 0.00 H ATOM 1147 H THR B 20 75.072 -80.732 22.072 1.00 0.00 H ATOM 1148 N LYS B 21 77.092 -79.333 20.323 1.00 17.78 N ATOM 1149 CA LYS B 21 77.716 -78.166 19.707 1.00 17.58 C ATOM 1150 C LYS B 21 79.238 -78.072 19.862 1.00 20.44 C ATOM 1151 O LYS B 21 79.867 -77.132 19.367 1.00 23.79 O ATOM 1152 CB LYS B 21 77.024 -76.885 20.165 1.00 19.68 C ATOM 1153 CG LYS B 21 75.543 -76.872 19.816 1.00 25.41 C ATOM 1154 CD LYS B 21 74.918 -75.506 20.001 1.00 28.99 C ATOM 1155 CE LYS B 21 73.453 -75.537 19.585 1.00 31.31 C ATOM 1156 NZ LYS B 21 73.301 -76.254 18.286 1.00 33.46 N ATOM 1157 HZ1 LYS B 21 73.853 -75.763 17.554 1.00 0.00 H ATOM 1158 HZ2 LYS B 21 73.647 -77.229 18.387 1.00 0.00 H ATOM 1159 HZ3 LYS B 21 72.297 -76.268 18.014 1.00 0.00 H ATOM 1160 H LYS B 21 76.894 -79.340 21.344 1.00 0.00 H ATOM 1161 N GLY B 22 79.827 -79.044 20.545 1.00 21.62 N ATOM 1162 CA GLY B 22 81.265 -79.227 20.511 1.00 24.23 C ATOM 1163 C GLY B 22 82.102 -78.388 21.460 1.00 23.35 C ATOM 1164 O GLY B 22 83.306 -78.287 21.272 1.00 24.78 O ATOM 1165 H GLY B 22 79.245 -79.689 21.117 1.00 0.00 H ATOM 1166 N SER B 23 81.495 -77.804 22.492 1.00 21.15 N ATOM 1167 CA SER B 23 82.272 -76.979 23.420 1.00 19.97 C ATOM 1168 C SER B 23 83.373 -77.770 24.123 1.00 20.81 C ATOM 1169 O SER B 23 83.146 -78.892 24.566 1.00 23.38 O ATOM 1170 CB SER B 23 81.382 -76.334 24.479 1.00 18.91 C ATOM 1171 OG SER B 23 82.187 -75.526 25.323 1.00 22.86 O ATOM 1172 HG SER B 23 81.618 -75.103 26.014 1.00 0.00 H ATOM 1173 H SER B 23 80.473 -77.933 22.638 1.00 0.00 H ATOM 1174 N ALA B 24 84.557 -77.172 24.236 1.00 19.87 N ATOM 1175 CA ALA B 24 85.676 -77.792 24.944 1.00 21.09 C ATOM 1176 C ALA B 24 85.778 -77.280 26.386 1.00 24.11 C ATOM 1177 O ALA B 24 86.676 -77.681 27.140 1.00 25.13 O ATOM 1178 CB ALA B 24 86.994 -77.542 24.192 1.00 21.06 C ATOM 1179 H ALA B 24 84.690 -76.234 23.807 1.00 0.00 H ATOM 1180 N GLN B 25 84.855 -76.398 26.766 1.00 22.48 N ATOM 1181 CA GLN B 25 84.866 -75.815 28.112 1.00 22.31 C ATOM 1182 C GLN B 25 84.411 -76.801 29.190 1.00 26.61 C ATOM 1183 O GLN B 25 83.603 -77.701 28.941 1.00 28.22 O ATOM 1184 CB GLN B 25 84.024 -74.539 28.168 1.00 20.38 C ATOM 1185 CG GLN B 25 84.546 -73.412 27.289 1.00 23.62 C ATOM 1186 CD GLN B 25 83.605 -72.229 27.252 1.00 28.04 C ATOM 1187 OE1 GLN B 25 83.352 -71.588 28.273 1.00 29.09 O ATOM 1188 NE2 GLN B 25 83.065 -71.940 26.075 1.00 28.23 N ATOM 1189 HE22 GLN B 25 83.307 -72.508 25.238 1.00 0.00 H ATOM 1190 HE21 GLN B 25 82.400 -71.145 25.989 1.00 0.00 H ATOM 1191 H GLN B 25 84.112 -76.117 26.095 1.00 0.00 H ATOM 1192 N ALA B 26 84.939 -76.615 30.395 1.00 29.56 N ATOM 1193 CA ALA B 26 84.655 -77.511 31.496 1.00 30.87 C ATOM 1194 C ALA B 26 83.543 -76.920 32.347 1.00 29.33 C ATOM 1195 O ALA B 26 83.245 -75.732 32.247 1.00 29.42 O ATOM 1196 CB ALA B 26 85.900 -77.730 32.328 1.00 32.36 C ATOM 1197 H ALA B 26 85.572 -75.805 30.551 1.00 0.00 H ATOM 1198 N GLY B 27 82.929 -77.757 33.173 1.00 28.43 N ATOM 1199 CA GLY B 27 81.858 -77.317 34.045 1.00 28.10 C ATOM 1200 C GLY B 27 80.568 -77.020 33.305 1.00 29.14 C ATOM 1201 O GLY B 27 80.226 -77.697 32.334 1.00 28.89 O ATOM 1202 H GLY B 27 83.224 -78.754 33.195 1.00 0.00 H ATOM 1203 N HIS B 28 79.851 -76.005 33.780 1.00 28.61 N ATOM 1204 CA HIS B 28 78.572 -75.601 33.216 1.00 25.77 C ATOM 1205 C HIS B 28 78.648 -74.179 32.680 1.00 23.81 C ATOM 1206 O HIS B 28 79.601 -73.448 32.954 1.00 25.18 O ATOM 1207 CB HIS B 28 77.482 -75.660 34.281 1.00 28.60 C ATOM 1208 CG HIS B 28 77.111 -77.048 34.688 1.00 36.45 C ATOM 1209 ND1 HIS B 28 77.934 -77.844 35.453 1.00 40.44 N ATOM 1210 CD2 HIS B 28 76.002 -77.783 34.435 1.00 39.57 C ATOM 1211 CE1 HIS B 28 77.350 -79.012 35.654 1.00 42.59 C ATOM 1212 NE2 HIS B 28 76.175 -79.000 35.049 1.00 42.69 N ATOM 1213 H HIS B 28 80.223 -75.475 34.594 1.00 0.00 H ATOM 1214 N ARG B 29 77.635 -73.796 31.913 1.00 18.94 N ATOM 1215 CA ARG B 29 77.520 -72.437 31.404 1.00 20.66 C ATOM 1216 C ARG B 29 76.646 -71.622 32.346 1.00 18.05 C ATOM 1217 O ARG B 29 75.486 -71.944 32.539 1.00 18.12 O ATOM 1218 CB ARG B 29 76.902 -72.451 30.004 1.00 26.04 C ATOM 1219 CG ARG B 29 76.201 -71.158 29.623 1.00 29.97 C ATOM 1220 CD ARG B 29 76.977 -70.428 28.572 1.00 30.67 C ATOM 1221 NE ARG B 29 77.142 -71.261 27.383 1.00 33.82 N ATOM 1222 CZ ARG B 29 78.152 -71.141 26.532 1.00 36.71 C ATOM 1223 NH1 ARG B 29 79.091 -70.228 26.749 1.00 37.35 N ATOM 1224 NH2 ARG B 29 78.229 -71.939 25.472 1.00 36.37 N ATOM 1225 HE ARG B 29 76.426 -71.991 27.193 1.00 0.00 H ATOM 1226 HH12 ARG B 29 79.885 -70.130 26.084 1.00 0.00 H ATOM 1227 HH11 ARG B 29 79.033 -69.610 27.584 1.00 0.00 H ATOM 1228 HH22 ARG B 29 79.022 -71.843 24.806 1.00 0.00 H ATOM 1229 HH21 ARG B 29 77.496 -72.659 25.309 1.00 0.00 H ATOM 1230 H ARG B 29 76.900 -74.489 31.668 1.00 0.00 H ATOM 1231 N PRO B 30 77.209 -70.575 32.956 1.00 17.61 N ATOM 1232 CA PRO B 30 76.360 -69.712 33.784 1.00 15.78 C ATOM 1233 C PRO B 30 75.548 -68.760 32.915 1.00 14.85 C ATOM 1234 O PRO B 30 75.971 -68.418 31.810 1.00 15.21 O ATOM 1235 CB PRO B 30 77.371 -68.939 34.641 1.00 19.78 C ATOM 1236 CG PRO B 30 78.645 -68.976 33.864 1.00 19.44 C ATOM 1237 CD PRO B 30 78.638 -70.222 33.040 1.00 19.44 C ATOM 1238 N ALA B 31 74.384 -68.347 33.405 1.00 15.21 N ATOM 1239 CA ALA B 31 73.515 -67.462 32.647 1.00 13.85 C ATOM 1240 C ALA B 31 72.615 -66.678 33.590 1.00 13.64 C ATOM 1241 O ALA B 31 72.303 -67.139 34.694 1.00 14.15 O ATOM 1242 CB ALA B 31 72.678 -68.264 31.672 1.00 11.46 C ATOM 1243 H ALA B 31 74.089 -68.664 34.351 1.00 0.00 H ATOM 1244 N VAL B 32 72.196 -65.503 33.146 1.00 12.21 N ATOM 1245 CA VAL B 32 71.279 -64.680 33.915 1.00 11.25 C ATOM 1246 C VAL B 32 69.881 -64.696 33.307 1.00 11.10 C ATOM 1247 O VAL B 32 69.690 -64.417 32.127 1.00 11.55 O ATOM 1248 CB VAL B 32 71.750 -63.227 34.001 1.00 12.83 C ATOM 1249 CG1 VAL B 32 70.792 -62.424 34.918 1.00 14.80 C ATOM 1250 CG2 VAL B 32 73.207 -63.156 34.495 1.00 14.44 C ATOM 1251 H VAL B 32 72.532 -65.161 32.223 1.00 0.00 H ATOM 1252 N VAL B 33 68.893 -65.008 34.131 1.00 12.51 N ATOM 1253 CA VAL B 33 67.523 -65.082 33.674 1.00 11.66 C ATOM 1254 C VAL B 33 66.916 -63.681 33.619 1.00 11.49 C ATOM 1255 O VAL B 33 67.029 -62.908 34.576 1.00 12.81 O ATOM 1256 CB VAL B 33 66.701 -65.994 34.611 1.00 11.95 C ATOM 1257 CG1 VAL B 33 65.229 -66.026 34.175 1.00 13.99 C ATOM 1258 CG2 VAL B 33 67.312 -67.397 34.619 1.00 13.57 C ATOM 1259 H VAL B 33 69.107 -65.204 35.130 1.00 0.00 H ATOM 1260 N LEU B 34 66.305 -63.341 32.486 1.00 10.35 N ATOM 1261 CA LEU B 34 65.722 -62.009 32.302 1.00 11.68 C ATOM 1262 C LEU B 34 64.201 -61.966 32.416 1.00 13.09 C ATOM 1263 O LEU B 34 63.639 -60.960 32.836 1.00 14.80 O ATOM 1264 CB LEU B 34 66.136 -61.416 30.960 1.00 11.75 C ATOM 1265 CG LEU B 34 67.650 -61.301 30.765 1.00 13.24 C ATOM 1266 CD1 LEU B 34 67.981 -60.586 29.444 1.00 16.50 C ATOM 1267 CD2 LEU B 34 68.342 -60.601 31.950 1.00 13.30 C ATOM 1268 H LEU B 34 66.240 -64.036 31.715 1.00 0.00 H ATOM 1269 N SER B 35 63.539 -63.043 32.014 1.00 11.08 N ATOM 1270 CA SER B 35 62.090 -63.053 31.892 1.00 10.29 C ATOM 1271 C SER B 35 61.401 -63.451 33.200 1.00 13.57 C ATOM 1272 O SER B 35 62.004 -64.125 34.043 1.00 14.74 O ATOM 1273 CB SER B 35 61.648 -63.979 30.749 1.00 14.28 C ATOM 1274 OG SER B 35 62.241 -65.261 30.839 1.00 15.21 O ATOM 1275 HG SER B 35 61.982 -65.684 31.696 1.00 0.00 H ATOM 1276 H SER B 35 64.072 -63.905 31.779 1.00 0.00 H ATOM 1277 N PRO B 36 60.137 -63.029 33.364 1.00 14.46 N ATOM 1278 CA PRO B 36 59.463 -63.249 34.653 1.00 14.67 C ATOM 1279 C PRO B 36 59.013 -64.687 34.883 1.00 13.82 C ATOM 1280 O PRO B 36 58.731 -65.435 33.947 1.00 13.31 O ATOM 1281 CB PRO B 36 58.252 -62.310 34.590 1.00 15.15 C ATOM 1282 CG PRO B 36 57.978 -62.121 33.135 1.00 16.47 C ATOM 1283 CD PRO B 36 59.289 -62.307 32.398 1.00 15.80 C ATOM 1284 N PHE B 37 58.929 -65.051 36.160 1.00 14.53 N ATOM 1285 CA PHE B 37 58.435 -66.354 36.586 1.00 14.57 C ATOM 1286 C PHE B 37 57.159 -66.830 35.878 1.00 14.94 C ATOM 1287 O PHE B 37 57.080 -67.996 35.478 1.00 12.57 O ATOM 1288 CB PHE B 37 58.218 -66.351 38.103 1.00 14.79 C ATOM 1289 CG PHE B 37 57.585 -67.609 38.632 1.00 17.59 C ATOM 1290 CD1 PHE B 37 58.352 -68.732 38.880 1.00 19.33 C ATOM 1291 CD2 PHE B 37 56.213 -67.665 38.890 1.00 19.63 C ATOM 1292 CE1 PHE B 37 57.768 -69.893 39.377 1.00 17.99 C ATOM 1293 CE2 PHE B 37 55.632 -68.823 39.375 1.00 22.19 C ATOM 1294 CZ PHE B 37 56.411 -69.936 39.611 1.00 18.11 C ATOM 1295 H PHE B 37 59.230 -64.373 36.889 1.00 0.00 H ATOM 1296 N MET B 38 56.163 -65.968 35.740 1.00 14.29 N ATOM 1297 CA MET B 38 54.888 -66.411 35.185 1.00 16.91 C ATOM 1298 C MET B 38 55.029 -66.928 33.759 1.00 17.19 C ATOM 1299 O MET B 38 54.476 -67.957 33.414 1.00 18.56 O ATOM 1300 CB MET B 38 53.828 -65.320 35.274 1.00 19.30 C ATOM 1301 CG MET B 38 53.303 -65.122 36.677 1.00 19.14 C ATOM 1302 H MET B 38 56.289 -64.976 36.027 1.00 0.00 H ATOM 1303 N TYR B 39 55.784 -66.209 32.940 1.00 13.05 N ATOM 1304 CA TYR B 39 56.109 -66.690 31.609 1.00 12.97 C ATOM 1305 C TYR B 39 56.936 -67.983 31.655 1.00 11.15 C ATOM 1306 O TYR B 39 56.619 -68.957 30.949 1.00 10.69 O ATOM 1307 CB TYR B 39 56.849 -65.607 30.811 1.00 13.12 C ATOM 1308 CG TYR B 39 57.452 -66.127 29.541 1.00 13.72 C ATOM 1309 CD1 TYR B 39 56.715 -66.153 28.361 1.00 13.24 C ATOM 1310 CD2 TYR B 39 58.755 -66.607 29.524 1.00 14.77 C ATOM 1311 CE1 TYR B 39 57.275 -66.648 27.182 1.00 11.52 C ATOM 1312 CE2 TYR B 39 59.322 -67.108 28.354 1.00 13.93 C ATOM 1313 CZ TYR B 39 58.573 -67.121 27.193 1.00 16.07 C ATOM 1314 OH TYR B 39 59.129 -67.621 26.036 1.00 16.47 O ATOM 1315 HH TYR B 39 59.934 -67.094 25.803 1.00 0.00 H ATOM 1316 H TYR B 39 56.149 -65.287 33.255 1.00 0.00 H ATOM 1317 N ASN B 40 57.983 -67.995 32.487 1.00 11.94 N ATOM 1318 CA ASN B 40 58.923 -69.123 32.538 1.00 10.40 C ATOM 1319 C ASN B 40 58.201 -70.390 32.979 1.00 11.60 C ATOM 1320 O ASN B 40 58.382 -71.478 32.437 1.00 11.46 O ATOM 1321 CB ASN B 40 60.064 -68.828 33.508 1.00 10.30 C ATOM 1322 CG ASN B 40 60.832 -67.571 33.138 1.00 9.38 C ATOM 1323 OD1 ASN B 40 60.753 -67.099 31.997 1.00 10.97 O ATOM 1324 ND2 ASN B 40 61.592 -67.034 34.088 1.00 10.15 N ATOM 1325 HD22 ASN B 40 61.626 -67.467 35.033 1.00 0.00 H ATOM 1326 HD21 ASN B 40 62.152 -66.181 33.886 1.00 0.00 H ATOM 1327 H ASN B 40 58.136 -67.182 33.117 1.00 0.00 H ATOM 1328 N ASN B 41 57.371 -70.222 33.994 1.00 11.86 N ATOM 1329 CA ASN B 41 56.556 -71.313 34.474 1.00 13.11 C ATOM 1330 C ASN B 41 55.557 -71.846 33.448 1.00 18.14 C ATOM 1331 O ASN B 41 55.415 -73.066 33.288 1.00 20.54 O ATOM 1332 CB ASN B 41 55.824 -70.850 35.732 1.00 14.73 C ATOM 1333 CG ASN B 41 55.065 -71.963 36.396 1.00 19.87 C ATOM 1334 OD1 ASN B 41 55.600 -73.055 36.598 1.00 23.67 O ATOM 1335 ND2 ASN B 41 53.804 -71.707 36.722 1.00 23.25 N ATOM 1336 HD22 ASN B 41 53.398 -70.769 36.531 1.00 0.00 H ATOM 1337 HD21 ASN B 41 53.222 -72.445 37.168 1.00 0.00 H ATOM 1338 H ASN B 41 57.304 -69.291 34.453 1.00 0.00 H ATOM 1339 N LYS B 42 54.875 -70.942 32.758 1.00 16.03 N ATOM 1340 CA LYS B 42 53.860 -71.340 31.798 1.00 17.45 C ATOM 1341 C LYS B 42 54.451 -72.060 30.588 1.00 16.86 C ATOM 1342 O LYS B 42 53.874 -73.019 30.101 1.00 21.47 O ATOM 1343 CB LYS B 42 53.038 -70.128 31.341 1.00 20.00 C ATOM 1344 CG LYS B 42 52.140 -69.530 32.419 1.00 20.00 C ATOM 1345 CD LYS B 42 51.330 -68.364 31.876 1.00 20.00 C ATOM 1346 CE LYS B 42 50.431 -67.754 32.950 1.00 20.00 C ATOM 1347 NZ LYS B 42 49.243 -68.597 33.245 1.00 20.00 N ATOM 1348 HZ1 LYS B 42 48.677 -68.711 32.380 1.00 0.00 H ATOM 1349 HZ2 LYS B 42 49.556 -69.530 33.581 1.00 0.00 H ATOM 1350 HZ3 LYS B 42 48.667 -68.138 33.979 1.00 0.00 H ATOM 1351 H LYS B 42 55.070 -69.931 32.907 1.00 0.00 H ATOM 1352 N THR B 43 55.598 -71.595 30.104 1.00 13.63 N ATOM 1353 CA THR B 43 56.131 -72.090 28.827 1.00 13.61 C ATOM 1354 C THR B 43 57.201 -73.164 28.947 1.00 11.91 C ATOM 1355 O THR B 43 57.445 -73.915 27.998 1.00 14.36 O ATOM 1356 CB THR B 43 56.757 -70.945 28.000 1.00 14.37 C ATOM 1357 OG1 THR B 43 57.904 -70.422 28.693 1.00 14.86 O ATOM 1358 CG2 THR B 43 55.738 -69.841 27.751 1.00 16.57 C ATOM 1359 HG1 THR B 43 57.624 -70.076 29.577 1.00 0.00 H ATOM 1360 H THR B 43 56.125 -70.872 30.635 1.00 0.00 H ATOM 1361 N GLY B 44 57.854 -73.240 30.097 1.00 15.11 N ATOM 1362 CA GLY B 44 58.995 -74.123 30.240 1.00 16.42 C ATOM 1363 C GLY B 44 60.230 -73.554 29.555 1.00 13.53 C ATOM 1364 O GLY B 44 61.250 -74.247 29.408 1.00 12.99 O ATOM 1365 H GLY B 44 57.546 -72.661 30.904 1.00 0.00 H ATOM 1366 N MET B 45 60.143 -72.291 29.131 1.00 11.48 N ATOM 1367 CA MET B 45 61.283 -71.588 28.524 1.00 10.09 C ATOM 1368 C MET B 45 61.595 -70.349 29.326 1.00 11.65 C ATOM 1369 O MET B 45 60.783 -69.927 30.149 1.00 13.20 O ATOM 1370 CB MET B 45 60.945 -71.157 27.099 1.00 12.83 C ATOM 1371 CG MET B 45 60.325 -72.263 26.277 1.00 21.13 C ATOM 1372 SD MET B 45 61.541 -73.530 25.875 1.00 28.92 S ATOM 1373 CE MET B 45 60.479 -74.817 25.216 1.00 34.27 C ATOM 1374 H MET B 45 59.239 -71.788 29.233 1.00 0.00 H ATOM 1375 N CYS B 46 62.762 -69.761 29.077 1.00 12.60 N ATOM 1376 CA CYS B 46 63.082 -68.454 29.633 1.00 11.82 C ATOM 1377 C CYS B 46 64.075 -67.740 28.732 1.00 13.58 C ATOM 1378 O CYS B 46 64.791 -68.388 27.973 1.00 17.18 O ATOM 1379 CB CYS B 46 63.602 -68.571 31.078 1.00 16.05 C ATOM 1380 SG CYS B 46 65.091 -69.578 31.329 1.00 20.30 S ATOM 1381 H CYS B 46 63.459 -70.244 28.474 1.00 0.00 H ATOM 1382 N LEU B 47 64.082 -66.411 28.788 1.00 10.70 N ATOM 1383 CA LEU B 47 65.069 -65.613 28.054 1.00 9.43 C ATOM 1384 C LEU B 47 66.207 -65.299 29.009 1.00 10.24 C ATOM 1385 O LEU B 47 65.971 -64.838 30.147 1.00 13.20 O ATOM 1386 CB LEU B 47 64.446 -64.320 27.506 1.00 12.61 C ATOM 1387 CG LEU B 47 63.415 -64.530 26.394 1.00 17.85 C ATOM 1388 CD1 LEU B 47 62.767 -63.213 25.912 1.00 16.77 C ATOM 1389 CD2 LEU B 47 64.088 -65.257 25.245 1.00 20.80 C ATOM 1390 H LEU B 47 63.368 -65.925 29.368 1.00 0.00 H ATOM 1391 N CYS B 48 67.434 -65.544 28.565 1.00 11.16 N ATOM 1392 CA CYS B 48 68.626 -65.409 29.394 1.00 9.94 C ATOM 1393 C CYS B 48 69.770 -64.806 28.602 1.00 11.13 C ATOM 1394 O CYS B 48 69.765 -64.855 27.352 1.00 14.04 O ATOM 1395 CB CYS B 48 69.110 -66.780 29.864 1.00 12.64 C ATOM 1396 SG CYS B 48 67.977 -67.701 30.897 1.00 17.92 S ATOM 1397 H CYS B 48 67.551 -65.847 27.577 1.00 0.00 H ATOM 1398 N VAL B 49 70.760 -64.301 29.318 1.00 8.43 N ATOM 1399 CA VAL B 49 72.027 -63.880 28.701 1.00 9.12 C ATOM 1400 C VAL B 49 73.143 -64.717 29.308 1.00 11.61 C ATOM 1401 O VAL B 49 73.114 -65.057 30.488 1.00 12.83 O ATOM 1402 CB VAL B 49 72.339 -62.376 28.905 1.00 10.69 C ATOM 1403 CG1 VAL B 49 71.381 -61.501 28.076 1.00 13.27 C ATOM 1404 CG2 VAL B 49 72.314 -61.994 30.404 1.00 11.06 C ATOM 1405 H VAL B 49 70.640 -64.199 30.346 1.00 0.00 H ATOM 1406 N PRO B 50 74.147 -65.069 28.505 1.00 10.80 N ATOM 1407 CA PRO B 50 75.171 -65.985 29.007 1.00 13.49 C ATOM 1408 C PRO B 50 76.275 -65.249 29.742 1.00 13.32 C ATOM 1409 O PRO B 50 76.506 -64.064 29.513 1.00 14.53 O ATOM 1410 CB PRO B 50 75.725 -66.604 27.719 1.00 12.73 C ATOM 1411 CG PRO B 50 75.637 -65.477 26.738 1.00 12.98 C ATOM 1412 CD PRO B 50 74.397 -64.672 27.110 1.00 10.96 C ATOM 1413 N CYS B 51 76.969 -65.955 30.622 1.00 13.94 N ATOM 1414 CA CYS B 51 78.066 -65.343 31.351 1.00 19.27 C ATOM 1415 C CYS B 51 79.377 -65.943 30.932 1.00 19.63 C ATOM 1416 O CYS B 51 79.448 -67.120 30.561 1.00 19.11 O ATOM 1417 CB CYS B 51 77.885 -65.526 32.847 1.00 20.86 C ATOM 1418 SG CYS B 51 76.440 -64.699 33.442 1.00 24.34 S ATOM 1419 H CYS B 51 76.727 -66.952 30.792 1.00 0.00 H ATOM 1420 N THR B 52 80.421 -65.132 30.984 1.00 19.12 N ATOM 1421 CA THR B 52 81.751 -65.646 30.716 1.00 23.73 C ATOM 1422 C THR B 52 82.686 -65.282 31.851 1.00 27.80 C ATOM 1423 O THR B 52 82.471 -64.300 32.561 1.00 28.44 O ATOM 1424 CB THR B 52 82.322 -65.112 29.398 1.00 26.62 C ATOM 1425 OG1 THR B 52 83.587 -65.735 29.155 1.00 32.97 O ATOM 1426 CG2 THR B 52 82.524 -63.611 29.472 1.00 26.98 C ATOM 1427 HG1 THR B 52 83.963 -65.395 28.305 1.00 0.00 H ATOM 1428 H THR B 52 80.288 -64.127 31.217 1.00 0.00 H ATOM 1429 N THR B 53 83.735 -66.076 32.013 1.00 31.44 N ATOM 1430 CA THR B 53 84.683 -65.838 33.082 1.00 34.72 C ATOM 1431 C THR B 53 85.678 -64.751 32.694 1.00 35.45 C ATOM 1432 O THR B 53 86.318 -64.146 33.552 1.00 40.47 O ATOM 1433 CB THR B 53 85.444 -67.117 33.430 1.00 38.00 C ATOM 1434 OG1 THR B 53 86.205 -66.907 34.623 1.00 43.69 O ATOM 1435 CG2 THR B 53 86.370 -67.503 32.289 1.00 37.42 C ATOM 1436 HG1 THR B 53 86.848 -66.168 34.477 1.00 0.00 H ATOM 1437 H THR B 53 83.879 -66.878 31.366 1.00 0.00 H ATOM 1438 N GLN B 54 85.800 -64.500 31.395 1.00 30.21 N ATOM 1439 CA GLN B 54 86.793 -63.559 30.901 1.00 30.03 C ATOM 1440 C GLN B 54 86.131 -62.328 30.308 1.00 27.20 C ATOM 1441 O GLN B 54 85.480 -62.407 29.272 1.00 30.96 O ATOM 1442 CB GLN B 54 87.668 -64.222 29.833 1.00 34.19 C ATOM 1443 CG GLN B 54 88.236 -65.576 30.228 1.00 37.55 C ATOM 1444 CD GLN B 54 89.459 -65.457 31.112 1.00 40.40 C ATOM 1445 OE1 GLN B 54 90.200 -64.474 31.038 1.00 41.87 O ATOM 1446 NE2 GLN B 54 89.682 -66.462 31.954 1.00 40.96 N ATOM 1447 HE22 GLN B 54 89.030 -67.271 31.982 1.00 0.00 H ATOM 1448 HE21 GLN B 54 90.509 -66.438 32.584 1.00 0.00 H ATOM 1449 H GLN B 54 85.175 -64.985 30.720 1.00 0.00 H ATOM 1450 N SER B 55 86.299 -61.182 30.951 1.00 24.15 N ATOM 1451 CA SER B 55 85.871 -59.931 30.335 1.00 21.60 C ATOM 1452 C SER B 55 86.887 -59.536 29.265 1.00 20.08 C ATOM 1453 O SER B 55 88.059 -59.916 29.342 1.00 20.46 O ATOM 1454 CB SER B 55 85.771 -58.821 31.375 1.00 22.58 C ATOM 1455 OG SER B 55 87.045 -58.524 31.906 1.00 24.18 O ATOM 1456 HG SER B 55 87.420 -59.334 32.335 1.00 0.00 H ATOM 1457 H SER B 55 86.736 -61.174 31.895 1.00 0.00 H ATOM 1458 N LYS B 56 86.439 -58.763 28.279 1.00 16.84 N ATOM 1459 CA LYS B 56 87.315 -58.340 27.196 1.00 15.35 C ATOM 1460 C LYS B 56 87.143 -56.869 26.849 1.00 15.35 C ATOM 1461 O LYS B 56 87.847 -56.337 25.984 1.00 16.22 O ATOM 1462 CB LYS B 56 87.091 -59.213 25.956 1.00 14.97 C ATOM 1463 CG LYS B 56 87.391 -60.689 26.200 1.00 22.40 C ATOM 1464 CD LYS B 56 87.235 -61.504 24.925 1.00 27.19 C ATOM 1465 CE LYS B 56 87.110 -62.994 25.212 1.00 32.10 C ATOM 1466 NZ LYS B 56 88.367 -63.591 25.738 1.00 34.28 N ATOM 1467 HZ1 LYS B 56 89.128 -63.465 25.040 1.00 0.00 H ATOM 1468 HZ2 LYS B 56 88.629 -63.118 26.626 1.00 0.00 H ATOM 1469 HZ3 LYS B 56 88.220 -64.605 25.914 1.00 0.00 H ATOM 1470 H LYS B 56 85.445 -58.456 28.282 1.00 0.00 H ATOM 1471 N GLY B 57 86.215 -56.206 27.526 1.00 17.59 N ATOM 1472 CA GLY B 57 86.013 -54.788 27.313 1.00 17.71 C ATOM 1473 C GLY B 57 84.995 -54.409 26.253 1.00 14.78 C ATOM 1474 O GLY B 57 84.931 -53.248 25.838 1.00 16.91 O ATOM 1475 H GLY B 57 85.625 -56.711 28.218 1.00 0.00 H ATOM 1476 N TYR B 58 84.194 -55.370 25.810 1.00 13.56 N ATOM 1477 CA TYR B 58 83.112 -55.076 24.877 1.00 13.40 C ATOM 1478 C TYR B 58 81.947 -54.389 25.568 1.00 12.47 C ATOM 1479 O TYR B 58 81.689 -54.627 26.751 1.00 13.81 O ATOM 1480 CB TYR B 58 82.677 -56.327 24.110 1.00 15.42 C ATOM 1481 CG TYR B 58 83.688 -56.676 23.033 1.00 17.87 C ATOM 1482 CD1 TYR B 58 83.474 -56.313 21.711 1.00 17.33 C ATOM 1483 CD2 TYR B 58 84.881 -57.314 23.351 1.00 19.09 C ATOM 1484 CE1 TYR B 58 84.411 -56.607 20.733 1.00 19.77 C ATOM 1485 CE2 TYR B 58 85.814 -57.616 22.382 1.00 17.22 C ATOM 1486 CZ TYR B 58 85.577 -57.252 21.081 1.00 16.95 C ATOM 1487 OH TYR B 58 86.509 -57.546 20.119 1.00 18.12 O ATOM 1488 HH TYR B 58 86.190 -57.219 19.241 1.00 0.00 H ATOM 1489 H TYR B 58 84.340 -56.348 26.133 1.00 0.00 H ATOM 1490 N PRO B 59 81.239 -53.525 24.831 1.00 13.27 N ATOM 1491 CA PRO B 59 80.292 -52.600 25.470 1.00 14.10 C ATOM 1492 C PRO B 59 79.022 -53.231 26.041 1.00 14.37 C ATOM 1493 O PRO B 59 78.383 -52.590 26.877 1.00 17.57 O ATOM 1494 CB PRO B 59 79.951 -51.618 24.344 1.00 14.79 C ATOM 1495 CG PRO B 59 80.184 -52.396 23.090 1.00 17.74 C ATOM 1496 CD PRO B 59 81.373 -53.263 23.386 1.00 16.55 C ATOM 1497 N PHE B 60 78.649 -54.439 25.625 1.00 12.43 N ATOM 1498 CA PHE B 60 77.437 -55.058 26.192 1.00 12.16 C ATOM 1499 C PHE B 60 77.741 -55.934 27.418 1.00 12.75 C ATOM 1500 O PHE B 60 76.834 -56.552 28.005 1.00 14.63 O ATOM 1501 CB PHE B 60 76.655 -55.823 25.132 1.00 14.01 C ATOM 1502 CG PHE B 60 75.832 -54.940 24.240 1.00 13.19 C ATOM 1503 CD1 PHE B 60 76.376 -54.383 23.098 1.00 16.27 C ATOM 1504 CD2 PHE B 60 74.501 -54.667 24.546 1.00 15.20 C ATOM 1505 CE1 PHE B 60 75.609 -53.567 22.267 1.00 15.07 C ATOM 1506 CE2 PHE B 60 73.731 -53.851 23.725 1.00 17.08 C ATOM 1507 CZ PHE B 60 74.293 -53.298 22.579 1.00 16.25 C ATOM 1508 H PHE B 60 79.208 -54.942 24.906 1.00 0.00 H ATOM 1509 N GLU B 61 79.014 -55.965 27.804 1.00 12.15 N ATOM 1510 CA GLU B 61 79.445 -56.668 29.011 1.00 13.74 C ATOM 1511 C GLU B 61 78.892 -55.993 30.260 1.00 15.47 C ATOM 1512 O GLU B 61 78.982 -54.772 30.406 1.00 16.03 O ATOM 1513 CB GLU B 61 80.978 -56.711 29.096 1.00 17.90 C ATOM 1514 CG GLU B 61 81.627 -57.620 28.067 1.00 17.57 C ATOM 1515 CD GLU B 61 83.150 -57.571 28.086 1.00 20.16 C ATOM 1516 OE1 GLU B 61 83.733 -56.933 28.992 1.00 23.81 O ATOM 1517 OE2 GLU B 61 83.771 -58.164 27.176 1.00 17.55 O ATOM 1518 H GLU B 61 79.726 -55.473 27.228 1.00 0.00 H ATOM 1519 N VAL B 62 78.323 -56.791 31.161 1.00 14.22 N ATOM 1520 CA VAL B 62 77.904 -56.287 32.464 1.00 14.38 C ATOM 1521 C VAL B 62 78.580 -57.104 33.549 1.00 16.25 C ATOM 1522 O VAL B 62 78.390 -58.327 33.628 1.00 16.65 O ATOM 1523 CB VAL B 62 76.375 -56.372 32.667 1.00 15.21 C ATOM 1524 CG1 VAL B 62 76.014 -55.857 34.058 1.00 16.23 C ATOM 1525 CG2 VAL B 62 75.648 -55.572 31.592 1.00 12.72 C ATOM 1526 H VAL B 62 78.174 -57.794 30.931 1.00 0.00 H ATOM 1527 N VAL B 63 79.368 -56.431 34.381 1.00 15.40 N ATOM 1528 CA VAL B 63 80.101 -57.112 35.438 1.00 18.55 C ATOM 1529 C VAL B 63 79.148 -57.624 36.518 1.00 17.82 C ATOM 1530 O VAL B 63 78.239 -56.912 36.954 1.00 18.67 O ATOM 1531 CB VAL B 63 81.175 -56.211 36.080 1.00 21.75 C ATOM 1532 CG1 VAL B 63 81.745 -56.891 37.320 1.00 25.28 C ATOM 1533 CG2 VAL B 63 82.287 -55.886 35.083 1.00 23.49 C ATOM 1534 H VAL B 63 79.462 -55.401 34.275 1.00 0.00 H ATOM 1535 N LEU B 64 79.362 -58.861 36.942 1.00 18.46 N ATOM 1536 CA LEU B 64 78.598 -59.426 38.034 1.00 16.95 C ATOM 1537 C LEU B 64 79.504 -59.544 39.250 1.00 22.82 C ATOM 1538 O LEU B 64 80.457 -60.303 39.242 1.00 25.18 O ATOM 1539 CB LEU B 64 78.042 -60.796 37.660 1.00 18.90 C ATOM 1540 CG LEU B 64 77.235 -60.863 36.365 1.00 22.18 C ATOM 1541 CD1 LEU B 64 76.777 -62.278 36.095 1.00 24.30 C ATOM 1542 CD2 LEU B 64 76.056 -59.910 36.400 1.00 22.51 C ATOM 1543 H LEU B 64 80.094 -59.438 36.481 1.00 0.00 H ATOM 1544 N SER B 65 79.203 -58.766 40.280 1.00 26.27 N ATOM 1545 CA SER B 65 79.940 -58.836 41.532 1.00 34.14 C ATOM 1546 C SER B 65 79.128 -59.615 42.564 1.00 36.95 C ATOM 1547 O SER B 65 77.910 -59.676 42.486 1.00 38.45 O ATOM 1548 CB SER B 65 80.260 -57.435 42.050 1.00 37.34 C ATOM 1549 OG SER B 65 79.272 -56.507 41.657 1.00 38.69 O ATOM 1550 HG SER B 65 78.395 -56.786 42.022 1.00 0.00 H ATOM 1551 H SER B 65 78.420 -58.088 40.191 1.00 0.00 H ATOM 1552 N GLY B 66 79.813 -60.220 43.525 1.00 41.42 N ATOM 1553 CA GLY B 66 79.152 -61.043 44.530 1.00 42.71 C ATOM 1554 H GLY B 66 80.846 -60.104 43.562 1.00 0.00 H TER 1555 GLY B 66 ATOM 1556 C GLN B 67 79.006 -65.052 43.060 1.00 69.11 C ATOM 1557 O GLN B 67 79.721 -64.297 43.711 1.00 68.72 O ATOM 1558 N GLU B 68 79.180 -66.369 43.026 1.00 68.76 N ATOM 1559 CA GLU B 68 80.248 -67.028 43.760 1.00 67.20 C ATOM 1560 C GLU B 68 81.443 -67.287 42.860 1.00 64.00 C ATOM 1561 O GLU B 68 82.477 -67.777 43.314 1.00 63.88 O ATOM 1562 CB GLU B 68 79.762 -68.354 44.352 1.00 67.51 C ATOM 1563 H GLU B 68 78.531 -66.947 42.455 1.00 0.00 H ATOM 1564 N ARG B 69 81.299 -66.965 41.581 1.00 59.41 N ATOM 1565 CA ARG B 69 82.408 -67.130 40.667 1.00 55.36 C ATOM 1566 C ARG B 69 82.475 -65.801 39.930 1.00 52.80 C ATOM 1567 O ARG B 69 81.442 -65.195 39.678 1.00 52.60 O ATOM 1568 CB ARG B 69 82.108 -68.257 39.687 1.00 54.68 C ATOM 1569 CG ARG B 69 83.135 -69.372 39.643 1.00 54.60 C ATOM 1570 CD ARG B 69 83.615 -69.771 41.016 1.00 52.37 C ATOM 1571 NE ARG B 69 83.689 -71.219 41.167 1.00 50.69 N ATOM 1572 CZ ARG B 69 83.704 -71.838 42.340 1.00 49.12 C ATOM 1573 NH1 ARG B 69 83.661 -71.130 43.461 1.00 46.36 N ATOM 1574 NH2 ARG B 69 83.765 -73.161 42.394 1.00 47.96 N ATOM 1575 HE ARG B 69 83.733 -71.800 40.306 1.00 0.00 H ATOM 1576 HH12 ARG B 69 83.673 -71.613 44.382 1.00 0.00 H ATOM 1577 HH11 ARG B 69 83.616 -70.092 43.419 1.00 0.00 H ATOM 1578 HH22 ARG B 69 83.777 -73.644 43.315 1.00 0.00 H ATOM 1579 HH21 ARG B 69 83.801 -73.716 41.515 1.00 0.00 H ATOM 1580 H ARG B 69 80.390 -66.595 41.236 1.00 0.00 H ATOM 1581 N ASP B 70 83.672 -65.334 39.598 1.00 50.93 N ATOM 1582 CA ASP B 70 83.790 -64.071 38.877 1.00 50.50 C ATOM 1583 C ASP B 70 83.154 -64.223 37.508 1.00 49.00 C ATOM 1584 O ASP B 70 83.187 -65.305 36.928 1.00 50.49 O ATOM 1585 CB ASP B 70 85.251 -63.655 38.731 1.00 50.80 C ATOM 1586 H ASP B 70 84.527 -65.869 39.852 1.00 0.00 H ATOM 1587 N GLY B 71 82.564 -63.148 36.993 1.00 43.86 N ATOM 1588 CA GLY B 71 81.922 -63.220 35.697 1.00 39.54 C ATOM 1589 C GLY B 71 81.361 -61.926 35.141 1.00 32.55 C ATOM 1590 O GLY B 71 81.155 -60.947 35.849 1.00 33.22 O ATOM 1591 H GLY B 71 82.564 -62.253 37.523 1.00 0.00 H ATOM 1592 N VAL B 72 81.124 -61.944 33.839 1.00 25.24 N ATOM 1593 CA VAL B 72 80.447 -60.859 33.145 1.00 21.47 C ATOM 1594 C VAL B 72 79.317 -61.431 32.289 1.00 16.38 C ATOM 1595 O VAL B 72 79.461 -62.490 31.667 1.00 17.17 O ATOM 1596 CB VAL B 72 81.420 -60.037 32.278 1.00 25.79 C ATOM 1597 CG1 VAL B 72 82.607 -59.588 33.116 1.00 27.08 C ATOM 1598 CG2 VAL B 72 81.876 -60.850 31.102 1.00 26.12 C ATOM 1599 H VAL B 72 81.435 -62.769 33.288 1.00 0.00 H ATOM 1600 N ALA B 73 78.183 -60.745 32.273 1.00 13.06 N ATOM 1601 CA ALA B 73 77.063 -61.165 31.430 1.00 13.75 C ATOM 1602 C ALA B 73 77.194 -60.484 30.077 1.00 13.91 C ATOM 1603 O ALA B 73 77.540 -59.306 30.008 1.00 16.25 O ATOM 1604 CB ALA B 73 75.746 -60.791 32.067 1.00 16.97 C ATOM 1605 H ALA B 73 78.088 -59.897 32.867 1.00 0.00 H ATOM 1606 N LEU B 74 76.931 -61.227 29.008 1.00 11.50 N ATOM 1607 CA LEU B 74 76.969 -60.660 27.666 1.00 12.80 C ATOM 1608 C LEU B 74 75.556 -60.268 27.256 1.00 13.13 C ATOM 1609 O LEU B 74 74.795 -61.084 26.714 1.00 13.18 O ATOM 1610 CB LEU B 74 77.565 -61.652 26.672 1.00 12.87 C ATOM 1611 CG LEU B 74 78.968 -62.152 27.016 1.00 17.03 C ATOM 1612 CD1 LEU B 74 79.552 -62.967 25.873 1.00 21.83 C ATOM 1613 CD2 LEU B 74 79.870 -60.979 27.343 1.00 18.73 C ATOM 1614 H LEU B 74 76.694 -62.232 29.131 1.00 0.00 H ATOM 1615 N ALA B 75 75.218 -59.004 27.498 1.00 11.70 N ATOM 1616 CA ALA B 75 73.839 -58.536 27.369 1.00 14.19 C ATOM 1617 C ALA B 75 73.252 -58.583 25.948 1.00 16.36 C ATOM 1618 O ALA B 75 72.040 -58.653 25.782 1.00 21.82 O ATOM 1619 CB ALA B 75 73.684 -57.145 27.983 1.00 12.96 C ATOM 1620 H ALA B 75 75.955 -58.330 27.787 1.00 0.00 H ATOM 1621 N ASP B 76 74.092 -58.552 24.920 1.00 15.38 N ATOM 1622 CA ASP B 76 73.543 -58.606 23.576 1.00 16.74 C ATOM 1623 C ASP B 76 73.307 -60.033 23.093 1.00 17.63 C ATOM 1624 O ASP B 76 72.767 -60.238 22.010 1.00 21.36 O ATOM 1625 CB ASP B 76 74.410 -57.825 22.590 1.00 21.81 C ATOM 1626 CG ASP B 76 75.844 -58.310 22.544 1.00 27.96 C ATOM 1627 OD1 ASP B 76 76.296 -59.010 23.480 1.00 26.30 O ATOM 1628 OD2 ASP B 76 76.533 -57.960 21.559 1.00 34.16 O ATOM 1629 H ASP B 76 75.119 -58.491 25.073 1.00 0.00 H ATOM 1630 N GLN B 77 73.686 -61.021 23.898 1.00 13.28 N ATOM 1631 CA GLN B 77 73.585 -62.410 23.451 1.00 15.78 C ATOM 1632 C GLN B 77 72.356 -63.121 24.022 1.00 14.72 C ATOM 1633 O GLN B 77 72.425 -64.292 24.385 1.00 15.05 O ATOM 1634 CB GLN B 77 74.848 -63.182 23.822 1.00 16.81 C ATOM 1635 CG GLN B 77 76.107 -62.620 23.222 1.00 25.10 C ATOM 1636 CD GLN B 77 76.410 -63.260 21.897 1.00 28.70 C ATOM 1637 OE1 GLN B 77 76.370 -64.484 21.769 1.00 25.16 O ATOM 1638 NE2 GLN B 77 76.699 -62.440 20.891 1.00 32.73 N ATOM 1639 HE22 GLN B 77 76.721 -61.412 21.048 1.00 0.00 H ATOM 1640 HE21 GLN B 77 76.903 -62.826 19.947 1.00 0.00 H ATOM 1641 H GLN B 77 74.055 -60.806 24.846 1.00 0.00 H ATOM 1642 N VAL B 78 71.229 -62.427 24.094 1.00 16.32 N ATOM 1643 CA VAL B 78 70.033 -63.050 24.652 1.00 16.26 C ATOM 1644 C VAL B 78 69.605 -64.270 23.831 1.00 14.52 C ATOM 1645 O VAL B 78 69.776 -64.323 22.604 1.00 15.49 O ATOM 1646 CB VAL B 78 68.874 -62.042 24.827 1.00 18.22 C ATOM 1647 CG1 VAL B 78 68.594 -61.339 23.535 1.00 19.13 C ATOM 1648 CG2 VAL B 78 67.623 -62.732 25.376 1.00 22.30 C ATOM 1649 H VAL B 78 71.197 -61.444 23.755 1.00 0.00 H ATOM 1650 N LYS B 79 69.093 -65.274 24.526 1.00 15.85 N ATOM 1651 CA LYS B 79 68.632 -66.496 23.883 1.00 16.38 C ATOM 1652 C LYS B 79 67.500 -67.097 24.712 1.00 14.19 C ATOM 1653 O LYS B 79 67.446 -66.892 25.930 1.00 13.20 O ATOM 1654 CB LYS B 79 69.782 -67.496 23.788 1.00 21.35 C ATOM 1655 CG LYS B 79 69.453 -68.745 22.999 1.00 28.08 C ATOM 1656 CD LYS B 79 70.640 -69.690 22.924 1.00 31.32 C ATOM 1657 CE LYS B 79 70.907 -70.313 24.271 1.00 35.30 C ATOM 1658 NZ LYS B 79 71.925 -71.392 24.179 1.00 39.18 N ATOM 1659 HZ1 LYS B 79 71.585 -72.134 23.534 1.00 0.00 H ATOM 1660 HZ2 LYS B 79 72.816 -70.997 23.816 1.00 0.00 H ATOM 1661 HZ3 LYS B 79 72.084 -71.798 25.123 1.00 0.00 H ATOM 1662 H LYS B 79 69.018 -65.187 25.560 1.00 0.00 H ATOM 1663 N SER B 80 66.595 -67.816 24.054 1.00 13.39 N ATOM 1664 CA SER B 80 65.584 -68.599 24.765 1.00 13.86 C ATOM 1665 C SER B 80 66.160 -69.939 25.206 1.00 16.09 C ATOM 1666 O SER B 80 66.684 -70.700 24.392 1.00 18.33 O ATOM 1667 CB SER B 80 64.354 -68.833 23.887 1.00 15.87 C ATOM 1668 OG SER B 80 63.396 -69.608 24.581 1.00 20.01 O ATOM 1669 HG SER B 80 63.121 -69.131 25.404 1.00 0.00 H ATOM 1670 H SER B 80 66.606 -67.822 23.014 1.00 0.00 H ATOM 1671 N ILE B 81 66.044 -70.231 26.498 1.00 13.98 N ATOM 1672 CA ILE B 81 66.562 -71.465 27.073 1.00 17.55 C ATOM 1673 C ILE B 81 65.399 -72.358 27.495 1.00 15.78 C ATOM 1674 O ILE B 81 64.462 -71.900 28.153 1.00 16.97 O ATOM 1675 CB ILE B 81 67.461 -71.162 28.295 1.00 18.56 C ATOM 1676 CG1 ILE B 81 68.714 -70.389 27.861 1.00 21.92 C ATOM 1677 CG2 ILE B 81 67.811 -72.446 29.062 1.00 24.34 C ATOM 1678 CD1 ILE B 81 69.610 -71.137 26.891 1.00 23.64 C ATOM 1679 H ILE B 81 65.565 -69.552 27.123 1.00 0.00 H ATOM 1680 N ALA B 82 65.450 -73.621 27.089 1.00 14.89 N ATOM 1681 CA ALA B 82 64.416 -74.588 27.441 1.00 18.21 C ATOM 1682 C ALA B 82 64.730 -75.225 28.790 1.00 19.50 C ATOM 1683 O ALA B 82 65.200 -76.363 28.860 1.00 20.92 O ATOM 1684 CB ALA B 82 64.302 -75.651 26.358 1.00 19.20 C ATOM 1685 H ALA B 82 66.251 -73.930 26.502 1.00 0.00 H ATOM 1686 N TRP B 83 64.478 -74.485 29.867 1.00 16.95 N ATOM 1687 CA TRP B 83 64.924 -74.922 31.185 1.00 17.28 C ATOM 1688 C TRP B 83 64.227 -76.213 31.608 1.00 17.37 C ATOM 1689 O TRP B 83 64.812 -77.056 32.296 1.00 17.37 O ATOM 1690 CB TRP B 83 64.710 -73.818 32.229 1.00 16.17 C ATOM 1691 CG TRP B 83 63.276 -73.471 32.431 1.00 14.59 C ATOM 1692 CD1 TRP B 83 62.569 -72.470 31.822 1.00 12.99 C ATOM 1693 CD2 TRP B 83 62.362 -74.134 33.306 1.00 12.21 C ATOM 1694 NE1 TRP B 83 61.266 -72.480 32.267 1.00 11.29 N ATOM 1695 CE2 TRP B 83 61.117 -73.497 33.176 1.00 11.99 C ATOM 1696 CE3 TRP B 83 62.481 -75.218 34.188 1.00 13.65 C ATOM 1697 CZ2 TRP B 83 59.993 -73.899 33.905 1.00 14.70 C ATOM 1698 CZ3 TRP B 83 61.367 -75.617 34.899 1.00 16.48 C ATOM 1699 CH2 TRP B 83 60.138 -74.962 34.747 1.00 17.02 C ATOM 1700 HE1 TRP B 83 60.518 -71.824 31.964 1.00 0.00 H ATOM 1701 H TRP B 83 63.959 -73.589 29.768 1.00 0.00 H ATOM 1702 N ARG B 84 62.977 -76.367 31.193 1.00 14.36 N ATOM 1703 CA ARG B 84 62.179 -77.493 31.650 1.00 13.53 C ATOM 1704 C ARG B 84 62.606 -78.783 30.959 1.00 14.81 C ATOM 1705 O ARG B 84 62.635 -79.845 31.570 1.00 17.03 O ATOM 1706 CB ARG B 84 60.683 -77.208 31.472 1.00 16.32 C ATOM 1707 CG ARG B 84 59.768 -78.166 32.210 1.00 21.57 C ATOM 1708 CD ARG B 84 58.317 -77.655 32.219 1.00 26.94 C ATOM 1709 NE ARG B 84 57.753 -77.605 30.871 1.00 29.02 N ATOM 1710 CZ ARG B 84 56.636 -76.963 30.534 1.00 31.25 C ATOM 1711 NH1 ARG B 84 55.941 -76.294 31.443 1.00 33.23 N ATOM 1712 NH2 ARG B 84 56.218 -76.987 29.277 1.00 32.42 N ATOM 1713 HE ARG B 84 58.263 -78.109 30.118 1.00 0.00 H ATOM 1714 HH12 ARG B 84 55.070 -75.796 31.169 1.00 0.00 H ATOM 1715 HH11 ARG B 84 56.267 -76.267 32.430 1.00 0.00 H ATOM 1716 HH22 ARG B 84 55.346 -76.487 29.009 1.00 0.00 H ATOM 1717 HH21 ARG B 84 56.762 -77.506 28.558 1.00 0.00 H ATOM 1718 H ARG B 84 62.564 -75.676 30.535 1.00 0.00 H ATOM 1719 N ALA B 85 62.975 -78.678 29.687 1.00 15.17 N ATOM 1720 CA ALA B 85 63.436 -79.844 28.940 1.00 16.77 C ATOM 1721 C ALA B 85 64.934 -80.123 29.096 1.00 15.71 C ATOM 1722 O ALA B 85 65.358 -81.276 29.020 1.00 14.44 O ATOM 1723 CB ALA B 85 63.074 -79.705 27.451 1.00 15.84 C ATOM 1724 H ALA B 85 62.935 -77.751 29.217 1.00 0.00 H ATOM 1725 N ARG B 86 65.731 -79.085 29.301 1.00 18.08 N ATOM 1726 CA ARG B 86 67.176 -79.257 29.310 1.00 22.86 C ATOM 1727 C ARG B 86 67.822 -79.069 30.673 1.00 21.49 C ATOM 1728 O ARG B 86 68.995 -79.369 30.849 1.00 22.94 O ATOM 1729 CB ARG B 86 67.827 -78.331 28.289 1.00 27.48 C ATOM 1730 CG ARG B 86 67.558 -78.728 26.866 1.00 33.86 C ATOM 1731 CD ARG B 86 67.934 -77.607 25.946 1.00 41.65 C ATOM 1732 NE ARG B 86 67.588 -77.894 24.562 1.00 46.34 N ATOM 1733 CZ ARG B 86 68.442 -77.795 23.554 1.00 45.18 C ATOM 1734 NH1 ARG B 86 69.694 -77.424 23.781 1.00 42.81 N ATOM 1735 NH2 ARG B 86 68.044 -78.070 22.326 1.00 46.75 N ATOM 1736 HE ARG B 86 66.615 -78.194 24.352 1.00 0.00 H ATOM 1737 HH12 ARG B 86 70.365 -77.346 22.990 1.00 0.00 H ATOM 1738 HH11 ARG B 86 70.006 -77.211 24.750 1.00 0.00 H ATOM 1739 HH22 ARG B 86 68.713 -77.993 21.533 1.00 0.00 H ATOM 1740 HH21 ARG B 86 67.062 -78.364 22.151 1.00 0.00 H ATOM 1741 H ARG B 86 65.322 -78.142 29.456 1.00 0.00 H ATOM 1742 N GLY B 87 67.047 -78.580 31.633 1.00 18.86 N ATOM 1743 CA GLY B 87 67.551 -78.400 32.981 1.00 18.13 C ATOM 1744 C GLY B 87 68.108 -77.017 33.266 1.00 20.75 C ATOM 1745 O GLY B 87 68.681 -76.352 32.393 1.00 21.08 O ATOM 1746 H GLY B 87 66.063 -78.322 31.415 1.00 0.00 H ATOM 1747 N ALA B 88 67.938 -76.576 34.505 1.00 19.47 N ATOM 1748 CA ALA B 88 68.587 -75.363 34.990 1.00 19.49 C ATOM 1749 C ALA B 88 68.738 -75.467 36.501 1.00 19.39 C ATOM 1750 O ALA B 88 67.839 -75.944 37.189 1.00 21.83 O ATOM 1751 CB ALA B 88 67.786 -74.122 34.616 1.00 14.97 C ATOM 1752 H ALA B 88 67.323 -77.111 35.151 1.00 0.00 H ATOM 1753 N THR B 89 69.881 -75.025 37.004 1.00 19.07 N ATOM 1754 CA THR B 89 70.158 -75.053 38.435 1.00 18.80 C ATOM 1755 C THR B 89 70.432 -73.639 38.917 1.00 17.78 C ATOM 1756 O THR B 89 71.273 -72.943 38.354 1.00 15.62 O ATOM 1757 CB THR B 89 71.400 -75.896 38.741 1.00 24.39 C ATOM 1758 OG1 THR B 89 71.206 -77.238 38.272 1.00 28.20 O ATOM 1759 CG2 THR B 89 71.668 -75.908 40.229 1.00 27.70 C ATOM 1760 HG1 THR B 89 72.012 -77.776 38.473 1.00 0.00 H ATOM 1761 H THR B 89 70.603 -74.646 36.358 1.00 0.00 H ATOM 1762 N LYS B 90 69.724 -73.212 39.957 1.00 15.73 N ATOM 1763 CA LYS B 90 69.963 -71.886 40.535 1.00 17.29 C ATOM 1764 C LYS B 90 71.208 -71.838 41.433 1.00 17.22 C ATOM 1765 O LYS B 90 71.312 -72.578 42.421 1.00 17.93 O ATOM 1766 CB LYS B 90 68.744 -71.393 41.317 1.00 16.23 C ATOM 1767 CG LYS B 90 68.936 -70.001 41.912 1.00 18.14 C ATOM 1768 CD LYS B 90 67.640 -69.454 42.503 1.00 16.82 C ATOM 1769 CE LYS B 90 67.775 -68.000 42.964 1.00 15.88 C ATOM 1770 NZ LYS B 90 66.459 -67.485 43.415 1.00 17.44 N ATOM 1771 HZ1 LYS B 90 65.781 -67.533 42.628 1.00 0.00 H ATOM 1772 HZ2 LYS B 90 66.114 -68.064 44.207 1.00 0.00 H ATOM 1773 HZ3 LYS B 90 66.562 -66.498 43.726 1.00 0.00 H ATOM 1774 H LYS B 90 68.991 -73.826 40.366 1.00 0.00 H ATOM 1775 N LYS B 91 72.141 -70.951 41.094 1.00 18.04 N ATOM 1776 CA LYS B 91 73.374 -70.804 41.869 1.00 20.28 C ATOM 1777 C LYS B 91 73.358 -69.551 42.743 1.00 21.76 C ATOM 1778 O LYS B 91 74.078 -69.458 43.741 1.00 23.11 O ATOM 1779 CB LYS B 91 74.598 -70.799 40.947 1.00 21.09 C ATOM 1780 CG LYS B 91 74.693 -72.037 40.071 1.00 25.91 C ATOM 1781 CD LYS B 91 74.853 -73.310 40.893 1.00 29.04 C ATOM 1782 CE LYS B 91 76.283 -73.499 41.383 1.00 31.40 C ATOM 1783 NZ LYS B 91 76.514 -74.869 41.933 1.00 33.81 N ATOM 1784 HZ1 LYS B 91 75.873 -75.032 42.735 1.00 0.00 H ATOM 1785 HZ2 LYS B 91 76.330 -75.575 41.191 1.00 0.00 H ATOM 1786 HZ3 LYS B 91 77.500 -74.951 42.254 1.00 0.00 H ATOM 1787 H LYS B 91 71.990 -70.349 40.260 1.00 0.00 H ATOM 1788 N GLY B 92 72.534 -68.588 42.368 1.00 16.06 N ATOM 1789 CA GLY B 92 72.423 -67.361 43.132 1.00 17.78 C ATOM 1790 C GLY B 92 71.540 -66.361 42.430 1.00 16.08 C ATOM 1791 O GLY B 92 70.754 -66.720 41.567 1.00 17.42 O ATOM 1792 H GLY B 92 71.957 -68.712 41.512 1.00 0.00 H ATOM 1793 N THR B 93 71.657 -65.102 42.829 1.00 15.98 N ATOM 1794 CA THR B 93 70.932 -64.020 42.179 1.00 18.46 C ATOM 1795 C THR B 93 71.863 -62.839 41.960 1.00 19.54 C ATOM 1796 O THR B 93 72.767 -62.585 42.760 1.00 19.29 O ATOM 1797 CB THR B 93 69.706 -63.557 42.998 1.00 22.24 C ATOM 1798 OG1 THR B 93 70.054 -63.475 44.385 1.00 25.52 O ATOM 1799 CG2 THR B 93 68.555 -64.533 42.825 1.00 20.70 C ATOM 1800 HG1 THR B 93 70.345 -64.366 44.704 1.00 0.00 H ATOM 1801 H THR B 93 72.284 -64.881 43.629 1.00 0.00 H ATOM 1802 N VAL B 94 71.648 -62.125 40.865 1.00 17.04 N ATOM 1803 CA VAL B 94 72.448 -60.952 40.566 1.00 16.70 C ATOM 1804 C VAL B 94 71.895 -59.713 41.261 1.00 16.35 C ATOM 1805 O VAL B 94 70.753 -59.704 41.742 1.00 15.74 O ATOM 1806 CB VAL B 94 72.591 -60.743 39.036 1.00 17.12 C ATOM 1807 CG1 VAL B 94 73.049 -62.027 38.397 1.00 18.50 C ATOM 1808 CG2 VAL B 94 71.273 -60.273 38.422 1.00 19.22 C ATOM 1809 H VAL B 94 70.893 -62.410 40.209 1.00 0.00 H ATOM 1810 N ALA B 95 72.714 -58.674 41.358 1.00 17.19 N ATOM 1811 CA ALA B 95 72.263 -57.471 42.047 1.00 18.44 C ATOM 1812 C ALA B 95 71.207 -56.778 41.191 1.00 17.41 C ATOM 1813 O ALA B 95 71.240 -56.873 39.972 1.00 16.45 O ATOM 1814 CB ALA B 95 73.430 -56.548 42.340 1.00 19.85 C ATOM 1815 H ALA B 95 73.668 -58.717 40.947 1.00 0.00 H ATOM 1816 N PRO B 96 70.239 -56.113 41.829 1.00 20.12 N ATOM 1817 CA PRO B 96 69.198 -55.396 41.092 1.00 20.06 C ATOM 1818 C PRO B 96 69.803 -54.445 40.063 1.00 18.47 C ATOM 1819 O PRO B 96 69.274 -54.333 38.961 1.00 19.72 O ATOM 1820 CB PRO B 96 68.482 -54.599 42.190 1.00 22.76 C ATOM 1821 CG PRO B 96 68.724 -55.377 43.418 1.00 27.23 C ATOM 1822 CD PRO B 96 70.090 -55.959 43.290 1.00 23.93 C ATOM 1823 N GLU B 97 70.898 -53.776 40.412 1.00 18.52 N ATOM 1824 CA GLU B 97 71.514 -52.818 39.496 1.00 20.32 C ATOM 1825 C GLU B 97 72.076 -53.504 38.251 1.00 19.71 C ATOM 1826 O GLU B 97 72.006 -52.958 37.145 1.00 19.54 O ATOM 1827 CB GLU B 97 72.619 -52.008 40.185 1.00 23.42 C ATOM 1828 CG GLU B 97 72.145 -51.153 41.339 1.00 31.41 C ATOM 1829 CD GLU B 97 71.904 -51.955 42.598 1.00 37.61 C ATOM 1830 OE1 GLU B 97 72.450 -53.076 42.717 1.00 34.08 O ATOM 1831 OE2 GLU B 97 71.164 -51.456 43.471 1.00 44.79 O ATOM 1832 H GLU B 97 71.321 -53.936 41.348 1.00 0.00 H ATOM 1833 N GLU B 98 72.631 -54.697 38.437 1.00 19.19 N ATOM 1834 CA GLU B 98 73.168 -55.481 37.322 1.00 18.23 C ATOM 1835 C GLU B 98 72.055 -55.997 36.395 1.00 15.74 C ATOM 1836 O GLU B 98 72.191 -55.982 35.167 1.00 15.14 O ATOM 1837 CB GLU B 98 74.019 -56.641 37.860 1.00 21.70 C ATOM 1838 CG GLU B 98 75.230 -56.183 38.671 1.00 26.58 C ATOM 1839 CD GLU B 98 75.805 -57.263 39.599 1.00 29.55 C ATOM 1840 OE1 GLU B 98 75.165 -58.325 39.793 1.00 27.63 O ATOM 1841 OE2 GLU B 98 76.911 -57.038 40.140 1.00 30.16 O ATOM 1842 H GLU B 98 72.686 -55.085 39.400 1.00 0.00 H ATOM 1843 N LEU B 99 70.958 -56.464 36.981 1.00 15.43 N ATOM 1844 CA LEU B 99 69.827 -56.951 36.200 1.00 13.95 C ATOM 1845 C LEU B 99 69.254 -55.792 35.377 1.00 11.05 C ATOM 1846 O LEU B 99 69.002 -55.934 34.176 1.00 15.05 O ATOM 1847 CB LEU B 99 68.757 -57.569 37.116 1.00 15.61 C ATOM 1848 CG LEU B 99 67.508 -58.128 36.433 1.00 18.72 C ATOM 1849 CD1 LEU B 99 67.910 -59.124 35.363 1.00 20.40 C ATOM 1850 CD2 LEU B 99 66.561 -58.781 37.463 1.00 19.02 C ATOM 1851 H LEU B 99 70.905 -56.483 38.019 1.00 0.00 H ATOM 1852 N GLN B 100 69.082 -54.633 36.016 1.00 11.55 N ATOM 1853 CA GLN B 100 68.536 -53.456 35.340 1.00 15.46 C ATOM 1854 C GLN B 100 69.455 -52.988 34.202 1.00 16.57 C ATOM 1855 O GLN B 100 68.981 -52.590 33.136 1.00 16.06 O ATOM 1856 CB GLN B 100 68.272 -52.322 36.333 1.00 19.95 C ATOM 1857 CG GLN B 100 67.080 -52.611 37.253 1.00 23.33 C ATOM 1858 CD GLN B 100 67.017 -51.701 38.469 1.00 31.12 C ATOM 1859 OE1 GLN B 100 67.517 -50.572 38.449 1.00 34.07 O ATOM 1860 NE2 GLN B 100 66.398 -52.192 39.540 1.00 33.97 N ATOM 1861 HE22 GLN B 100 65.991 -53.149 39.512 1.00 0.00 H ATOM 1862 HE21 GLN B 100 66.321 -51.619 40.404 1.00 0.00 H ATOM 1863 H GLN B 100 69.343 -54.565 37.020 1.00 0.00 H ATOM 1864 N LEU B 101 70.763 -53.034 34.443 1.00 13.57 N ATOM 1865 CA LEU B 101 71.735 -52.609 33.445 1.00 13.79 C ATOM 1866 C LEU B 101 71.689 -53.519 32.218 1.00 11.49 C ATOM 1867 O LEU B 101 71.697 -53.035 31.090 1.00 13.56 O ATOM 1868 CB LEU B 101 73.140 -52.551 34.040 1.00 15.14 C ATOM 1869 CG LEU B 101 74.198 -52.037 33.064 1.00 16.08 C ATOM 1870 CD1 LEU B 101 73.764 -50.699 32.449 1.00 18.46 C ATOM 1871 CD2 LEU B 101 75.565 -51.930 33.734 1.00 18.39 C ATOM 1872 H LEU B 101 71.099 -53.381 35.364 1.00 0.00 H ATOM 1873 N ILE B 102 71.628 -54.828 32.439 1.00 10.64 N ATOM 1874 CA ILE B 102 71.460 -55.770 31.334 1.00 13.09 C ATOM 1875 C ILE B 102 70.229 -55.413 30.487 1.00 11.90 C ATOM 1876 O ILE B 102 70.312 -55.335 29.263 1.00 12.84 O ATOM 1877 CB ILE B 102 71.369 -57.238 31.818 1.00 12.44 C ATOM 1878 CG1 ILE B 102 72.677 -57.685 32.475 1.00 11.06 C ATOM 1879 CG2 ILE B 102 71.019 -58.176 30.641 1.00 13.53 C ATOM 1880 CD1 ILE B 102 72.529 -58.973 33.324 1.00 12.10 C ATOM 1881 H ILE B 102 71.701 -55.187 33.412 1.00 0.00 H ATOM 1882 N LYS B 103 69.087 -55.183 31.134 1.00 9.03 N ATOM 1883 CA LYS B 103 67.864 -54.846 30.405 1.00 11.70 C ATOM 1884 C LYS B 103 67.965 -53.485 29.714 1.00 13.86 C ATOM 1885 O LYS B 103 67.473 -53.299 28.602 1.00 15.85 O ATOM 1886 CB LYS B 103 66.654 -54.901 31.337 1.00 11.28 C ATOM 1887 CG LYS B 103 66.352 -56.292 31.811 1.00 10.93 C ATOM 1888 CD LYS B 103 65.058 -56.329 32.631 1.00 15.75 C ATOM 1889 CE LYS B 103 64.691 -57.768 32.891 1.00 18.87 C ATOM 1890 NZ LYS B 103 63.487 -57.919 33.746 1.00 21.27 N ATOM 1891 HZ1 LYS B 103 63.658 -57.467 34.667 1.00 0.00 H ATOM 1892 HZ2 LYS B 103 62.674 -57.466 33.281 1.00 0.00 H ATOM 1893 HZ3 LYS B 103 63.288 -58.930 33.887 1.00 0.00 H ATOM 1894 H LYS B 103 69.065 -55.244 32.172 1.00 0.00 H ATOM 1895 N ALA B 104 68.621 -52.537 30.367 1.00 14.96 N ATOM 1896 CA ALA B 104 68.810 -51.211 29.791 1.00 14.96 C ATOM 1897 C ALA B 104 69.593 -51.298 28.487 1.00 16.11 C ATOM 1898 O ALA B 104 69.261 -50.622 27.508 1.00 15.68 O ATOM 1899 CB ALA B 104 69.530 -50.309 30.774 1.00 14.56 C ATOM 1900 H ALA B 104 69.009 -52.743 31.310 1.00 0.00 H ATOM 1901 N LYS B 105 70.632 -52.126 28.483 1.00 14.26 N ATOM 1902 CA LYS B 105 71.469 -52.289 27.289 1.00 11.13 C ATOM 1903 C LYS B 105 70.706 -52.988 26.175 1.00 12.46 C ATOM 1904 O LYS B 105 70.739 -52.559 25.023 1.00 14.79 O ATOM 1905 CB LYS B 105 72.764 -53.019 27.620 1.00 15.07 C ATOM 1906 CG LYS B 105 73.781 -52.154 28.339 1.00 13.47 C ATOM 1907 CD LYS B 105 75.095 -52.905 28.547 1.00 20.84 C ATOM 1908 CE LYS B 105 76.173 -52.015 29.151 1.00 23.07 C ATOM 1909 NZ LYS B 105 75.875 -51.594 30.541 1.00 30.13 N ATOM 1910 HZ1 LYS B 105 74.982 -51.060 30.557 1.00 0.00 H ATOM 1911 HZ2 LYS B 105 75.788 -52.436 31.146 1.00 0.00 H ATOM 1912 HZ3 LYS B 105 76.647 -50.992 30.892 1.00 0.00 H ATOM 1913 H LYS B 105 70.856 -52.668 29.342 1.00 0.00 H ATOM 1914 N ILE B 106 69.991 -54.052 26.512 1.00 12.67 N ATOM 1915 CA ILE B 106 69.201 -54.752 25.508 1.00 17.64 C ATOM 1916 C ILE B 106 68.181 -53.847 24.800 1.00 19.30 C ATOM 1917 O ILE B 106 67.922 -54.014 23.603 1.00 19.66 O ATOM 1918 CB ILE B 106 68.497 -55.976 26.103 1.00 18.26 C ATOM 1919 CG1 ILE B 106 69.513 -57.097 26.289 1.00 16.38 C ATOM 1920 CG2 ILE B 106 67.363 -56.431 25.189 1.00 19.09 C ATOM 1921 CD1 ILE B 106 68.995 -58.264 27.117 1.00 19.51 C ATOM 1922 H ILE B 106 69.994 -54.388 27.496 1.00 0.00 H ATOM 1923 N ASN B 107 67.623 -52.884 25.534 1.00 19.96 N ATOM 1924 CA ASN B 107 66.644 -51.951 24.973 1.00 22.23 C ATOM 1925 C ASN B 107 67.153 -51.190 23.763 1.00 22.78 C ATOM 1926 O ASN B 107 66.376 -50.819 22.883 1.00 24.00 O ATOM 1927 CB ASN B 107 66.155 -50.938 26.015 1.00 22.28 C ATOM 1928 CG ASN B 107 65.165 -49.933 25.418 1.00 27.69 C ATOM 1929 OD1 ASN B 107 64.032 -50.286 25.087 1.00 31.13 O ATOM 1930 ND2 ASN B 107 65.600 -48.685 25.260 1.00 25.82 N ATOM 1931 HD22 ASN B 107 66.565 -48.429 25.553 1.00 0.00 H ATOM 1932 HD21 ASN B 107 64.975 -47.965 24.843 1.00 0.00 H ATOM 1933 H ASN B 107 67.891 -52.793 26.535 1.00 0.00 H ATOM 1934 N VAL B 108 68.454 -50.932 23.721 1.00 21.22 N ATOM 1935 CA VAL B 108 69.023 -50.217 22.588 1.00 20.66 C ATOM 1936 C VAL B 108 68.909 -51.057 21.314 1.00 20.08 C ATOM 1937 O VAL B 108 68.812 -50.513 20.219 1.00 22.72 O ATOM 1938 CB VAL B 108 70.487 -49.784 22.845 1.00 19.02 C ATOM 1939 CG1 VAL B 108 71.450 -50.930 22.571 1.00 18.13 C ATOM 1940 CG2 VAL B 108 70.836 -48.573 21.999 1.00 18.19 C ATOM 1941 H VAL B 108 69.069 -51.242 24.500 1.00 0.00 H ATOM 1942 N LEU B 109 68.903 -52.380 21.468 1.00 13.97 N ATOM 1943 CA LEU B 109 68.760 -53.291 20.332 1.00 15.34 C ATOM 1944 C LEU B 109 67.294 -53.527 19.945 1.00 20.45 C ATOM 1945 O LEU B 109 66.997 -53.931 18.832 1.00 22.18 O ATOM 1946 CB LEU B 109 69.416 -54.628 20.660 1.00 15.65 C ATOM 1947 CG LEU B 109 70.896 -54.526 20.985 1.00 16.07 C ATOM 1948 CD1 LEU B 109 71.463 -55.893 21.340 1.00 18.41 C ATOM 1949 CD2 LEU B 109 71.634 -53.900 19.808 1.00 18.91 C ATOM 1950 H LEU B 109 69.003 -52.777 22.424 1.00 0.00 H ATOM 1951 N ILE B 110 66.386 -53.316 20.887 1.00 22.06 N ATOM 1952 CA ILE B 110 64.962 -53.528 20.598 1.00 23.76 C ATOM 1953 C ILE B 110 64.083 -52.347 21.009 1.00 28.56 C ATOM 1954 O ILE B 110 63.002 -52.549 21.547 1.00 34.29 O ATOM 1955 CB ILE B 110 64.455 -54.786 21.329 1.00 23.05 C ATOM 1956 CG1 ILE B 110 64.560 -54.607 22.842 1.00 23.69 C ATOM 1957 CG2 ILE B 110 65.239 -56.016 20.876 1.00 19.22 C ATOM 1958 CD1 ILE B 110 63.988 -55.760 23.645 1.00 21.35 C ATOM 1959 H ILE B 110 66.682 -53.000 21.832 1.00 0.00 H ATOM 1960 N GLY B 111 64.543 -51.134 20.744 1.00 30.15 N ATOM 1961 CA GLY B 111 63.785 -49.949 21.102 1.00 31.70 C ATOM 1962 C GLY B 111 62.574 -49.781 20.210 1.00 33.73 C ATOM 1963 O GLY B 111 62.707 -49.762 18.988 1.00 38.55 O ATOM 1964 H GLY B 111 65.463 -51.028 20.271 1.00 0.00 H ATOM 1965 N LEU B 112 61.396 -49.662 20.814 1.00 33.88 N ATOM 1966 CA LEU B 112 60.157 -49.533 20.044 1.00 36.23 C ATOM 1967 C LEU B 112 59.615 -48.104 19.994 1.00 34.29 C ATOM 1968 O LEU B 112 60.184 -47.188 20.594 1.00 35.31 O ATOM 1969 CB LEU B 112 59.089 -50.484 20.569 1.00 40.94 C ATOM 1970 CG LEU B 112 59.077 -50.755 22.071 1.00 41.52 C ATOM 1971 CD1 LEU B 112 58.829 -49.469 22.829 1.00 42.76 C ATOM 1972 CD2 LEU B 112 58.018 -51.790 22.406 1.00 41.49 C ATOM 1973 H LEU B 112 61.353 -49.660 21.853 1.00 0.00 H ATOM 1974 N SER B 113 58.528 -47.919 19.253 1.00 29.26 N ATOM 1975 CA SER B 113 57.924 -46.611 19.115 1.00 28.36 C ATOM 1976 C SER B 113 57.025 -46.324 20.301 1.00 27.57 C ATOM 1977 O SER B 113 56.466 -47.244 20.896 1.00 29.57 O ATOM 1978 H SER B 113 58.102 -48.731 18.762 1.00 0.00 H ATOM 1979 N HIS B 114 56.883 -45.042 20.607 1.00 28.17 N ATOM 1980 CA HIS B 114 56.164 -44.549 21.768 1.00 33.75 C ATOM 1981 C HIS B 114 54.684 -44.312 21.478 1.00 30.95 C ATOM 1982 O HIS B 114 54.257 -43.177 21.345 1.00 36.51 O ATOM 1983 CB HIS B 114 56.812 -43.227 22.212 1.00 39.87 C ATOM 1984 H HIS B 114 57.316 -44.341 19.972 1.00 0.00 H ATOM 1985 N HIS B 115 53.899 -45.376 21.381 1.00 26.77 N ATOM 1986 CA HIS B 115 52.454 -45.220 21.243 1.00 24.38 C ATOM 1987 C HIS B 115 51.711 -46.443 21.770 1.00 22.40 C ATOM 1988 O HIS B 115 52.294 -47.526 21.907 1.00 22.49 O ATOM 1989 CB HIS B 115 52.059 -44.913 19.794 1.00 23.81 C ATOM 1990 CG HIS B 115 52.312 -46.037 18.835 1.00 25.77 C ATOM 1991 ND1 HIS B 115 51.388 -47.031 18.591 1.00 27.49 N ATOM 1992 CD2 HIS B 115 53.375 -46.310 18.041 1.00 26.00 C ATOM 1993 CE1 HIS B 115 51.873 -47.871 17.692 1.00 26.62 C ATOM 1994 NE2 HIS B 115 53.079 -47.458 17.343 1.00 27.16 N ATOM 1995 H HIS B 115 54.316 -46.329 21.403 1.00 0.00 H ATOM 1996 N HIS B 116 50.430 -46.260 22.079 1.00 20.09 N ATOM 1997 CA HIS B 116 49.608 -47.348 22.590 1.00 17.85 C ATOM 1998 C HIS B 116 49.139 -48.243 21.467 1.00 18.03 C ATOM 1999 O HIS B 116 48.715 -47.763 20.415 1.00 18.55 O ATOM 2000 CB HIS B 116 48.389 -46.804 23.339 1.00 18.74 C ATOM 2001 CG HIS B 116 48.741 -45.964 24.525 1.00 19.49 C ATOM 2002 ND1 HIS B 116 49.331 -46.488 25.650 1.00 19.56 N ATOM 2003 CD2 HIS B 116 48.582 -44.637 24.753 1.00 20.36 C ATOM 2004 CE1 HIS B 116 49.524 -45.514 26.531 1.00 21.35 C ATOM 2005 NE2 HIS B 116 49.080 -44.388 26.009 1.00 20.12 N ATOM 2006 H HIS B 116 50.006 -45.319 21.953 1.00 0.00 H ATOM 2007 N HIS B 117 49.199 -49.545 21.699 1.00 18.28 N ATOM 2008 CA HIS B 117 48.698 -50.505 20.722 1.00 17.93 C ATOM 2009 C HIS B 117 48.483 -51.867 21.364 1.00 16.69 C ATOM 2010 O HIS B 117 48.960 -52.138 22.469 1.00 19.65 O ATOM 2011 CB HIS B 117 49.651 -50.616 19.529 1.00 20.52 C ATOM 2012 CG HIS B 117 51.011 -51.117 19.891 1.00 23.74 C ATOM 2013 ND1 HIS B 117 51.363 -52.448 19.805 1.00 24.12 N ATOM 2014 CD2 HIS B 117 52.105 -50.468 20.352 1.00 24.31 C ATOM 2015 CE1 HIS B 117 52.615 -52.594 20.195 1.00 25.55 C ATOM 2016 NE2 HIS B 117 53.087 -51.408 20.536 1.00 24.86 N ATOM 2017 H HIS B 117 49.609 -49.888 22.591 1.00 0.00 H ATOM 2018 N HIS B 118 47.758 -52.732 20.662 1.00 15.26 N ATOM 2019 CA HIS B 118 47.476 -54.074 21.157 1.00 15.56 C ATOM 2020 C HIS B 118 48.661 -55.006 20.926 1.00 19.64 C ATOM 2021 O HIS B 118 49.302 -54.962 19.876 1.00 26.97 O ATOM 2022 CB HIS B 118 46.223 -54.641 20.486 1.00 18.65 C ATOM 2023 CG HIS B 118 45.943 -56.068 20.838 1.00 22.15 C ATOM 2024 ND1 HIS B 118 46.597 -57.124 20.242 1.00 22.08 N ATOM 2025 CD2 HIS B 118 45.078 -56.614 21.725 1.00 25.40 C ATOM 2026 CE1 HIS B 118 46.148 -58.260 20.746 1.00 23.34 C ATOM 2027 NE2 HIS B 118 45.225 -57.978 21.649 1.00 23.66 N ATOM 2028 H HIS B 118 47.382 -52.444 19.736 1.00 0.00 H ATOM 2029 N HIS B 119 49.016 -55.759 21.961 1.00 20.77 N ATOM 2030 CA HIS B 119 50.159 -56.655 21.899 1.00 19.44 C ATOM 2031 C HIS B 119 50.105 -57.747 22.958 1.00 17.55 C ATOM 2032 O HIS B 119 50.674 -58.813 22.768 1.00 18.12 O ATOM 2033 CB HIS B 119 51.478 -55.882 21.992 1.00 19.28 C ATOM 2034 CG HIS B 119 51.682 -55.167 23.292 1.00 21.01 C ATOM 2035 ND1 HIS B 119 51.069 -53.969 23.589 1.00 22.61 N ATOM 2036 CD2 HIS B 119 52.462 -55.461 24.358 1.00 22.34 C ATOM 2037 CE1 HIS B 119 51.445 -53.568 24.788 1.00 21.58 C ATOM 2038 NE2 HIS B 119 52.290 -54.455 25.277 1.00 22.68 N ATOM 2039 H HIS B 119 48.461 -55.706 22.839 1.00 0.00 H TER 2040 HIS B 119 HETATM 2041 O HOH 1 62.078 -53.508 25.092 1.00 52.31 O HETATM 2042 O HOH 2 73.644 -66.784 6.256 1.00 45.08 O HETATM 2043 O HOH 3 79.935 -55.622 8.731 1.00 47.99 O HETATM 2044 O HOH 4 70.814 -52.392 4.279 1.00 38.94 O HETATM 2045 O HOH 5 54.501 -52.213 27.151 1.00 63.50 O HETATM 2046 O HOH 6 67.987 -52.912 4.007 1.00 38.95 O HETATM 2047 O HOH 7 64.149 -52.239 7.101 1.00 41.08 O HETATM 2048 O HOH 8 74.988 -68.079 20.076 1.00 54.47 O HETATM 2049 O HOH 9 81.492 -52.858 9.161 1.00116.50 O HETATM 2050 O HOH 10 66.455 -57.734 41.193 1.00 43.60 O HETATM 2051 O HOH 11 58.076 -69.701 20.714 1.00 28.23 O HETATM 2052 O HOH 12 47.307 -66.434 20.214 1.00 31.08 O HETATM 2053 O HOH 13 66.426 -67.668 21.334 1.00 20.54 O HETATM 2054 O HOH 14 60.339 -73.597 12.248 1.00 46.02 O HETATM 2055 O HOH 15 64.300 -53.684 -0.126 1.00 39.05 O HETATM 2056 O HOH 16 52.739 -67.433 2.417 1.00 87.10 O HETATM 2057 O HOH 17 57.816 -49.973 13.394 1.00 29.78 O HETATM 2058 O HOH 18 72.896 -59.082 19.397 1.00 34.94 O HETATM 2059 O HOH 19 79.363 -62.123 11.874 1.00 23.09 O HETATM 2060 O HOH 20 65.823 -51.242 17.188 1.00 45.66 O HETATM 2061 O HOH 21 79.044 -54.260 3.182 1.00 41.81 O HETATM 2062 O HOH 22 71.892 -65.572 21.294 1.00 34.08 O HETATM 2063 O HOH 23 75.236 -60.478 4.037 1.00 25.25 O HETATM 2064 O HOH 24 55.435 -58.866 31.782 1.00 52.77 O HETATM 2065 O HOH 25 58.999 -50.576 15.971 1.00 26.77 O HETATM 2066 O HOH 26 61.189 -57.057 32.322 1.00 25.62 O HETATM 2067 O HOH 27 56.139 -78.013 15.264 1.00 44.42 O HETATM 2068 O HOH 28 49.542 -70.629 9.263 1.00 49.55 O HETATM 2069 O HOH 29 49.053 -59.975 19.033 1.00 38.04 O HETATM 2070 O HOH 30 65.301 -70.358 19.892 1.00 36.34 O HETATM 2071 O HOH 31 51.893 -52.791 16.123 1.00 25.48 O HETATM 2072 O HOH 32 45.977 -73.394 19.459 1.00 29.15 O HETATM 2073 O HOH 33 55.440 -53.879 25.417 1.00 35.81 O HETATM 2074 O HOH 34 52.335 -51.005 9.315 1.00 37.27 O HETATM 2075 O HOH 35 49.777 -63.640 18.507 1.00 25.81 O HETATM 2076 O HOH 36 61.603 -49.415 15.848 1.00 58.24 O HETATM 2077 O HOH 37 49.977 -61.452 14.172 1.00 36.16 O HETATM 2078 O HOH 38 57.939 -52.350 4.747 1.00 47.36 O HETATM 2079 O HOH 39 73.697 -53.055 2.553 1.00 32.79 O HETATM 2080 O HOH 40 50.531 -58.997 12.479 1.00 36.71 O HETATM 2081 O HOH 41 75.252 -54.343 -0.506 1.00 77.67 O HETATM 2082 O HOH 42 45.342 -70.469 20.549 1.00 34.35 O HETATM 2083 O HOH 43 60.626 -65.305 4.241 1.00 47.84 O HETATM 2084 O HOH 44 71.537 -47.051 12.835 1.00 30.91 O HETATM 2085 O HOH 45 81.615 -57.033 2.163 1.00 57.22 O HETATM 2086 O HOH 46 79.090 -50.471 -1.338 1.00 51.68 O HETATM 2087 O HOH 47 78.062 -48.722 11.650 1.00 45.54 O HETATM 2088 O HOH 48 68.455 -74.754 8.779 1.00 53.92 O HETATM 2089 O HOH 49 81.703 -61.760 10.855 1.00 40.88 O HETATM 2090 O HOH 50 68.760 -52.544 0.000 1.00 50.42 O HETATM 2091 O HOH 51 48.661 -62.831 5.767 1.00 61.25 O HETATM 2092 O HOH 52 48.487 -65.684 17.867 1.00 36.60 O HETATM 2093 O HOH 53 54.224 -49.141 13.709 1.00 41.39 O HETATM 2094 O HOH 54 68.631 -48.199 12.323 1.00 39.21 O HETATM 2095 O HOH 55 81.133 -64.859 5.086 1.00 61.59 O HETATM 2096 O HOH 56 84.320 -59.523 8.005 1.00 45.15 O HETATM 2097 O HOH 57 58.559 -65.228 6.610 1.00 60.67 O HETATM 2098 O HOH 58 51.941 -66.022 6.535 1.00 48.96 O HETATM 2099 O HOH 59 72.686 -77.509 11.169 1.00 42.26 O HETATM 2100 O HOH 60 79.693 -55.450 6.127 1.00 44.52 O HETATM 2101 O HOH 61 60.535 -68.479 3.478 1.00 54.88 O HETATM 2102 O HOH 62 79.193 -63.978 -2.333 1.00 62.73 O HETATM 2103 O HOH 63 58.753 -69.241 5.892 1.00 57.44 O HETATM 2104 O HOH 64 76.874 -46.866 10.538 1.00 55.02 O HETATM 2105 O HOH 65 49.116 -65.629 6.687 1.00 59.86 O HETATM 2106 O HOH 66 65.611 -76.148 7.400 1.00 50.82 O HETATM 2107 O HOH 67 59.847 -49.388 11.775 1.00 48.86 O HETATM 2108 O HOH 68 52.528 -50.301 6.221 1.00 48.39 O HETATM 2109 O HOH 69 82.003 -59.247 4.585 1.00 52.70 O HETATM 2110 O HOH 70 76.235 -45.411 7.533 1.00 49.58 O HETATM 2111 O HOH 71 65.595 -77.708 35.624 1.00 56.70 O HETATM 2112 O HOH 72 56.429 -80.662 41.721 1.00 60.30 O HETATM 2113 O HOH 73 71.257 -79.749 33.484 1.00 60.41 O HETATM 2114 O HOH 74 79.708 -68.346 28.017 1.00 57.15 O HETATM 2115 O HOH 75 81.316 -65.885 35.562 1.00 53.57 O HETATM 2116 O HOH 76 79.796 -63.838 38.594 1.00 56.52 O HETATM 2117 O HOH 77 78.603 -58.882 22.364 1.00 59.55 O HETATM 2118 O HOH 78 82.765 -60.204 38.466 1.00 39.06 O HETATM 2119 O HOH 79 53.939 -50.902 22.790 1.00 38.52 O HETATM 2120 O HOH 80 64.000 -77.408 37.481 1.00 38.86 O HETATM 2121 O HOH 81 75.684 -60.164 41.464 1.00 39.50 O HETATM 2122 O HOH 82 70.322 -77.984 20.654 1.00 29.66 O HETATM 2123 O HOH 83 61.490 -67.730 25.135 1.00 34.74 O HETATM 2124 O HOH 84 71.933 -76.610 28.117 1.00 34.91 O HETATM 2125 O HOH 85 57.941 -75.165 44.039 1.00 22.50 O HETATM 2126 O HOH 86 47.679 -69.813 31.628 1.00 45.48 O HETATM 2127 O HOH 87 61.219 -69.390 41.055 1.00 23.91 O HETATM 2128 O HOH 88 79.793 -81.506 21.902 1.00 27.15 O HETATM 2129 O HOH 89 79.084 -77.566 23.394 1.00 40.39 O HETATM 2130 O HOH 90 65.953 -63.684 41.330 1.00 32.05 O HETATM 2131 O HOH 91 78.345 -50.926 31.056 1.00 46.69 O HETATM 2132 O HOH 92 75.845 -71.042 44.897 1.00 60.60 O HETATM 2133 O HOH 93 71.562 -50.352 36.808 1.00 30.35 O HETATM 2134 O HOH 94 77.910 -54.293 36.523 1.00 42.10 O HETATM 2135 O HOH 95 63.718 -68.236 41.536 1.00 25.72 O HETATM 2136 O HOH 96 78.675 -58.936 24.731 1.00 55.36 O HETATM 2137 O HOH 97 70.750 -76.853 30.746 1.00 31.19 O HETATM 2138 O HOH 98 55.569 -74.402 38.934 1.00 34.96 O HETATM 2139 O HOH 99 72.047 -64.276 46.017 1.00 48.58 O HETATM 2140 O HOH 100 69.436 -59.798 44.101 1.00 48.78 O HETATM 2141 O HOH 101 65.383 -54.731 27.626 1.00 28.14 O HETATM 2142 O HOH 102 82.207 -72.898 32.412 1.00 45.47 O HETATM 2143 O HOH 103 52.688 -69.016 35.183 1.00 59.50 O HETATM 2144 O HOH 104 62.789 -47.677 17.211 1.00 67.46 O HETATM 2145 O HOH 105 83.489 -55.867 31.511 1.00 31.04 O HETATM 2146 O HOH 106 78.398 -56.092 20.799 1.00 41.89 O HETATM 2147 O HOH 107 81.541 -79.204 30.418 1.00 42.11 O HETATM 2148 O HOH 108 75.541 -67.662 45.275 1.00 52.98 O HETATM 2149 O HOH 109 61.633 -76.695 28.139 1.00 18.78 O HETATM 2150 O HOH 110 68.881 -47.915 19.220 1.00 47.73 O HETATM 2151 O HOH 111 72.084 -77.272 34.882 1.00 50.84 O HETATM 2152 O HOH 112 67.485 -70.722 21.714 1.00 48.69 O HETATM 2153 O HOH 113 56.592 -75.409 34.302 1.00 37.92 O HETATM 2154 O HOH 114 54.921 -48.494 22.890 1.00 29.55 O HETATM 2155 O HOH 115 87.744 -58.502 34.638 1.00 24.82 O HETATM 2156 O HOH 116 74.083 -65.600 20.546 1.00 31.77 O HETATM 2157 O HOH 117 49.151 -43.842 21.375 1.00 24.14 O HETATM 2158 O HOH 118 63.606 -83.408 28.357 1.00 21.53 O HETATM 2159 O HOH 119 69.370 -73.182 44.405 1.00 26.06 O HETATM 2160 O HOH 120 78.100 -78.681 30.687 1.00 37.44 O HETATM 2161 O HOH 121 59.019 -78.146 28.358 1.00 42.01 O HETATM 2162 O HOH 122 79.651 -55.975 23.423 1.00 22.63 O HETATM 2163 O HOH 123 59.178 -73.803 41.941 1.00 29.85 O HETATM 2164 O HOH 124 48.285 -54.590 17.208 1.00 49.79 O HETATM 2165 O HOH 125 71.190 -48.455 27.688 1.00 39.95 O HETATM 2166 O HOH 126 68.017 -59.700 40.754 1.00 30.80 O HETATM 2167 O HOH 127 60.942 -72.033 41.605 1.00 30.92 O HETATM 2168 O HOH 128 55.970 -63.556 37.400 1.00 21.40 O HETATM 2169 O HOH 129 80.797 -62.272 41.393 1.00 32.29 O HETATM 2170 O HOH 130 77.887 -84.705 19.970 1.00 30.92 O HETATM 2171 O HOH 131 78.794 -80.419 26.416 1.00 40.95 O HETATM 2172 O HOH 132 62.060 -48.487 23.843 1.00 56.91 O HETATM 2173 O HOH 133 87.582 -60.843 33.645 1.00 70.87 O HETATM 2174 O HOH 134 87.515 -51.828 26.069 1.00 26.51 O HETATM 2175 O HOH 135 65.847 -75.898 23.240 1.00 55.18 O HETATM 2176 O HOH 136 58.799 -62.136 38.281 1.00 28.71 O HETATM 2177 O HOH 137 79.318 -53.444 34.247 1.00 28.42 O HETATM 2178 O HOH 138 57.646 -47.239 16.471 1.00 47.64 O HETATM 2179 O HOH 139 78.404 -83.168 17.685 1.00 54.45 O HETATM 2180 O HOH 140 64.019 -53.117 26.231 1.00 39.57 O HETATM 2181 O HOH 141 83.254 -53.866 29.266 1.00 47.79 O HETATM 2182 O HOH 142 48.344 -52.691 25.416 1.00 61.44 O HETATM 2183 O HOH 143 67.743 -74.715 25.351 1.00 36.01 O HETATM 2184 O HOH 144 57.483 -76.602 39.766 1.00 43.80 O HETATM 2185 O HOH 145 75.117 -52.391 37.106 1.00 52.34 O HETATM 2186 O HOH 146 85.560 -61.458 35.126 1.00 59.82 O HETATM 2187 O HOH 147 78.735 -68.634 37.942 1.00 40.56 O HETATM 2188 O HOH 148 75.136 -73.794 26.547 1.00 41.27 O HETATM 2189 O HOH 149 69.798 -49.622 34.295 1.00 34.94 O HETATM 2190 O HOH 150 74.376 -64.871 44.675 1.00 44.20 O HETATM 2191 O HOH 151 76.603 -74.530 24.197 1.00 28.98 O HETATM 2192 O HOH 152 52.376 -50.022 15.319 1.00 48.13 O HETATM 2193 O HOH 153 78.013 -68.869 41.092 1.00 70.45 O HETATM 2194 O HOH 154 77.936 -64.147 40.817 1.00 58.84 O HETATM 2195 O HOH 155 84.254 -62.323 41.042 1.00 50.02 O HETATM 2196 O HOH 156 71.828 -78.392 26.319 1.00 28.26 O HETATM 2197 O HOH 157 77.237 -73.108 44.817 1.00 62.14 O HETATM 2198 O HOH 158 85.464 -56.205 33.927 1.00 53.29 O HETATM 2199 O HOH 159 55.076 -62.851 32.382 1.00 46.67 O HETATM 2200 O HOH 160 63.011 -66.057 42.745 1.00 37.84 O HETATM 2201 O HOH 161 76.172 -63.486 42.003 1.00 53.77 O HETATM 2202 O HOH 162 52.681 -64.652 31.228 1.00 30.98 O HETATM 2203 O HOH 163 63.367 -45.700 24.122 1.00 46.43 O HETATM 2204 O HOH 164 50.046 -70.720 38.012 1.00 74.28 O HETATM 2205 O HOH 165 75.570 -75.942 45.775 1.00 49.78 O HETATM 2206 O HOH 166 80.851 -59.324 21.391 1.00 34.03 O HETATM 2207 O HOH 167 78.634 -66.147 36.251 1.00 37.81 O HETATM 2208 O HOH 168 51.825 -67.246 29.756 1.00 74.58 O HETATM 2209 O HOH 169 65.585 -75.204 14.345 1.00 53.52 O HETATM 2210 O HOH 170 72.088 -78.550 15.315 1.00 54.35 O HETATM 2211 O HOH 171 81.153 -68.556 17.872 1.00 27.83 O HETATM 2212 O HOH 172 74.102 -73.531 20.875 1.00 62.97 O HETATM 2213 O HOH 173 84.671 -66.594 16.396 1.00 41.18 O HETATM 2214 O HOH 174 80.843 -70.146 24.477 1.00 33.10 O HETATM 2215 O HOH 175 56.908 -73.878 14.016 1.00 42.58 O HETATM 2216 O HOH 176 67.955 -79.257 14.911 1.00 45.02 O HETATM 2217 O HOH 177 73.544 -72.103 17.528 1.00 44.49 O HETATM 2218 O HOH 178 65.879 -68.541 17.818 1.00 32.62 O HETATM 2219 O HOH 179 74.469 -69.879 17.887 1.00 26.98 O HETATM 2220 O HOH 180 84.272 -60.976 14.158 1.00 34.71 O HETATM 2221 O HOH 181 79.595 -61.585 21.274 1.00 38.45 O HETATM 2222 O HOH 182 75.423 -76.410 11.834 1.00 47.85 O HETATM 2223 O HOH 183 70.919 -72.821 18.609 1.00 47.32 O HETATM 2224 O HOH 184 82.334 -74.191 13.847 1.00 57.62 O HETATM 2225 O HOH 185 56.687 -72.013 21.185 1.00 49.40 O HETATM 2226 N HIS A 186 55.477 -74.888 18.492 1.00 0.24 N HETATM 2227 CA HIS A 186 56.632 -74.604 17.642 1.00 0.07 C HETATM 2228 C HIS A 186 57.888 -75.249 18.215 1.00 0.23 C HETATM 2229 O HIS A 186 58.023 -75.396 19.432 1.00 -0.39 O HETATM 2230 N HIS A 186 58.802 -75.639 17.336 1.00 -0.26 N HETATM 2231 CA HIS A 186 60.077 -76.178 17.775 1.00 0.13 C HETATM 2232 C HIS A 186 60.856 -75.049 18.421 1.00 0.20 C HETATM 2233 O HIS A 186 60.662 -73.884 18.079 1.00 -0.39 O HETATM 2234 N HIS A 186 61.718 -75.385 19.371 1.00 -0.26 N HETATM 2235 CA HIS A 186 62.724 -74.436 19.813 1.00 0.13 C HETATM 2236 C HIS A 186 63.743 -74.334 18.686 1.00 0.20 C HETATM 2237 O HIS A 186 64.482 -75.282 18.415 1.00 -0.39 O HETATM 2238 N HIS A 186 63.749 -73.189 18.014 1.00 -0.26 N HETATM 2239 CA HIS A 186 64.570 -72.990 16.827 1.00 0.13 C HETATM 2240 C HIS A 186 66.045 -73.238 17.093 1.00 0.20 C HETATM 2241 O HIS A 186 66.631 -72.629 17.988 1.00 -0.39 O HETATM 2242 N HIS A 186 66.637 -74.128 16.300 1.00 -0.26 N HETATM 2243 CA HIS A 186 68.039 -74.498 16.441 1.00 0.14 C HETATM 2244 C HIS A 186 68.875 -73.888 15.317 1.00 0.21 C HETATM 2245 O HIS A 186 68.623 -74.134 14.135 1.00 -0.39 O HETATM 2246 N HIS A 186 69.869 -73.091 15.686 1.00 -0.26 N HETATM 2247 CA HIS A 186 70.685 -72.405 14.685 1.00 0.14 C HETATM 2248 C HIS A 186 71.966 -73.153 14.316 1.00 0.20 C HETATM 2249 O HIS A 186 72.863 -72.578 13.697 1.00 -0.39 O HETATM 2250 N HIS A 186 72.062 -74.425 14.692 1.00 -0.27 N HETATM 2251 CA HIS A 186 73.218 -75.228 14.315 1.00 0.12 C HETATM 2252 C HIS A 186 74.489 -74.796 15.027 1.00 0.20 C HETATM 2253 O HIS A 186 74.424 -74.263 16.137 1.00 -0.39 O HETATM 2254 N HIS A 186 75.646 -75.012 14.402 1.00 -0.26 N HETATM 2255 CA HIS A 186 76.922 -74.650 15.034 1.00 0.13 C HETATM 2256 C HIS A 186 77.024 -73.139 15.254 1.00 0.21 C HETATM 2257 O HIS A 186 76.771 -72.352 14.334 1.00 -0.39 O HETATM 2258 N HIS A 186 77.367 -72.719 16.483 1.00 -0.25 N HETATM 2259 CA HIS A 186 77.551 -71.279 16.693 1.00 0.13 C HETATM 2260 C HIS A 186 78.678 -70.759 15.825 1.00 0.20 C HETATM 2261 O HIS A 186 79.668 -71.469 15.597 1.00 -0.39 O HETATM 2262 N HIS A 186 78.528 -69.531 15.344 1.00 -0.26 N HETATM 2263 CA HIS A 186 79.475 -68.954 14.396 1.00 0.13 C HETATM 2264 C HIS A 186 79.989 -67.611 14.880 1.00 0.20 C HETATM 2265 O HIS A 186 79.252 -66.854 15.519 1.00 -0.39 O HETATM 2266 N HIS A 186 81.253 -67.322 14.575 1.00 -0.26 N HETATM 2267 CA HIS A 186 81.819 -65.998 14.796 1.00 0.14 C HETATM 2268 C HIS A 186 81.707 -65.626 16.275 1.00 0.21 C HETATM 2269 O HIS A 186 82.193 -66.356 17.147 1.00 -0.39 O HETATM 2270 N HIS A 186 81.068 -64.498 16.562 1.00 -0.26 N HETATM 2271 CA HIS A 186 80.979 -64.026 17.943 1.00 0.13 C HETATM 2272 C HIS A 186 79.764 -64.555 18.708 1.00 0.20 C HETATM 2273 O HIS A 186 79.525 -64.141 19.841 1.00 -0.39 O HETATM 2274 N HIS A 186 79.007 -65.474 18.120 1.00 -0.26 N HETATM 2275 CA HIS A 186 77.949 -66.151 18.884 1.00 0.13 C HETATM 2276 C HIS A 186 78.587 -67.038 19.960 1.00 0.20 C HETATM 2277 O HIS A 186 79.430 -67.866 19.654 1.00 -0.39 O HETATM 2278 N HIS A 186 78.213 -66.856 21.227 1.00 -0.26 N HETATM 2279 CA HIS A 186 78.809 -67.688 22.288 1.00 0.13 C HETATM 2280 C HIS A 186 78.007 -68.937 22.629 1.00 0.20 C HETATM 2281 O HIS A 186 78.522 -69.853 23.268 1.00 -0.39 O HETATM 2282 N HIS A 186 76.750 -68.961 22.206 1.00 -0.27 N HETATM 2283 CA HIS A 186 75.889 -70.125 22.397 1.00 0.10 C HETATM 2284 C HIS A 186 74.721 -70.101 21.414 1.00 0.06 C HETATM 2285 O HIS A 186 73.881 -70.997 21.388 1.00 -0.57 O HETATM 2286 OXT HIS A 186 74.574 -69.185 20.609 1.00 -0.57 O HETATM 2287 CB HIS A 186 75.405 -70.198 23.850 1.00 -0.00 C HETATM 2288 CG HIS A 186 74.544 -69.031 24.296 1.00 -0.04 C HETATM 2289 CD1 HIS A 186 74.246 -67.887 23.597 1.00 0.02 C HETATM 2290 NE1 HIS A 186 73.420 -67.074 24.357 1.00 -0.29 N HETATM 2291 CE2 HIS A 186 73.173 -67.691 25.547 1.00 0.06 C HETATM 2292 CD2 HIS A 186 73.855 -68.928 25.546 1.00 -0.02 C HETATM 2293 CE3 HIS A 186 73.767 -69.758 26.662 1.00 -0.07 C HETATM 2294 CZ3 HIS A 186 72.999 -69.338 27.748 1.00 -0.08 C HETATM 2295 CH2 HIS A 186 72.330 -68.111 27.726 1.00 -0.08 C HETATM 2296 CZ2 HIS A 186 72.397 -67.279 26.641 1.00 -0.04 C HETATM 2297 H114 HIS A 186 71.868 -66.333 26.628 1.00 0.05 H HETATM 2298 H116 HIS A 186 71.745 -67.811 28.588 1.00 0.05 H HETATM 2299 H115 HIS A 186 72.920 -69.973 28.623 1.00 0.05 H HETATM 2300 H113 HIS A 186 74.285 -70.710 26.686 1.00 0.05 H HETATM 2301 H112 HIS A 186 73.053 -66.155 24.070 1.00 0.22 H HETATM 2302 H111 HIS A 186 74.605 -67.654 22.596 1.00 0.08 H HETATM 2303 H109 HIS A 186 76.289 -70.239 24.503 1.00 0.04 H HETATM 2304 H110 HIS A 186 74.818 -71.121 23.969 1.00 0.04 H HETATM 2305 H108 HIS A 186 76.484 -71.028 22.192 1.00 0.07 H HETATM 2306 H107 HIS A 186 76.380 -68.156 21.741 1.00 0.19 H HETATM 2307 CB HIS A 186 79.134 -66.899 23.582 1.00 -0.01 C HETATM 2308 CG1 HIS A 186 80.115 -65.749 23.277 1.00 -0.06 C HETATM 2309 H101 HIS A 186 80.335 -65.200 24.204 1.00 0.02 H HETATM 2310 H102 HIS A 186 79.662 -65.065 22.544 1.00 0.02 H HETATM 2311 H103 HIS A 186 81.048 -66.162 22.865 1.00 0.02 H HETATM 2312 CG2 HIS A 186 77.862 -66.398 24.269 1.00 -0.06 C HETATM 2313 H104 HIS A 186 77.193 -67.249 24.467 1.00 0.02 H HETATM 2314 H105 HIS A 186 77.352 -65.675 23.615 1.00 0.02 H HETATM 2315 H106 HIS A 186 78.126 -65.910 25.219 1.00 0.02 H HETATM 2316 H100 HIS A 186 79.634 -67.588 24.278 1.00 0.03 H HETATM 2317 H99 HIS A 186 79.771 -68.038 21.886 1.00 0.08 H HETATM 2318 H98 HIS A 186 77.533 -66.160 21.456 1.00 0.19 H HETATM 2319 CB HIS A 186 77.075 -67.005 17.958 1.00 -0.00 C HETATM 2320 CG HIS A 186 76.468 -66.250 16.790 1.00 0.00 C HETATM 2321 CD HIS A 186 75.815 -67.178 15.785 1.00 0.04 C HETATM 2322 OE1 HIS A 186 75.240 -66.677 14.795 1.00 -0.57 O HETATM 2323 OE2 HIS A 186 75.876 -68.413 15.987 1.00 -0.57 O HETATM 2324 H96 HIS A 186 77.263 -65.683 16.284 1.00 0.04 H HETATM 2325 H97 HIS A 186 75.708 -65.554 17.175 1.00 0.04 H HETATM 2326 H94 HIS A 186 76.255 -67.430 18.555 1.00 0.03 H HETATM 2327 H95 HIS A 186 77.695 -67.819 17.555 1.00 0.03 H HETATM 2328 H93 HIS A 186 77.317 -65.392 19.370 1.00 0.08 H HETATM 2329 H92 HIS A 186 79.156 -65.705 17.159 1.00 0.19 H HETATM 2330 CB HIS A 186 81.058 -62.496 18.017 1.00 -0.01 C HETATM 2331 CG HIS A 186 82.398 -61.936 17.509 1.00 -0.04 C HETATM 2332 CD HIS A 186 82.453 -60.414 17.587 1.00 -0.01 C HETATM 2333 CE HIS A 186 81.461 -59.764 16.637 1.00 -0.04 C HETATM 2334 NZ HIS A 186 81.769 -60.083 15.196 1.00 0.22 N HETATM 2335 H89 HIS A 186 81.091 -59.635 14.600 1.00 0.20 H HETATM 2336 H90 HIS A 186 81.731 -61.081 15.057 1.00 0.20 H HETATM 2337 H91 HIS A 186 82.691 -59.747 14.967 1.00 0.20 H HETATM 2338 H87 HIS A 186 81.499 -58.673 16.775 1.00 0.08 H HETATM 2339 H88 HIS A 186 80.451 -60.129 16.874 1.00 0.08 H HETATM 2340 H85 HIS A 186 83.468 -60.081 17.325 1.00 0.03 H HETATM 2341 H86 HIS A 186 82.218 -60.101 18.615 1.00 0.03 H HETATM 2342 H83 HIS A 186 82.536 -62.242 16.462 1.00 0.03 H HETATM 2343 H84 HIS A 186 83.211 -62.352 18.122 1.00 0.03 H HETATM 2344 H81 HIS A 186 80.925 -62.189 19.065 1.00 0.03 H HETATM 2345 H82 HIS A 186 80.247 -62.074 17.405 1.00 0.03 H HETATM 2346 H80 HIS A 186 81.867 -64.418 18.462 1.00 0.08 H HETATM 2347 H79 HIS A 186 80.644 -63.967 15.828 1.00 0.19 H HETATM 2348 CB HIS A 186 81.098 -64.973 13.904 1.00 0.04 C HETATM 2349 CG HIS A 186 81.681 -63.573 14.013 1.00 0.04 C HETATM 2350 OD1 HIS A 186 82.912 -63.408 13.841 1.00 -0.57 O HETATM 2351 OD2 HIS A 186 80.900 -62.632 14.275 1.00 -0.57 O HETATM 2352 H77 HIS A 186 80.039 -64.935 14.200 1.00 0.05 H HETATM 2353 H78 HIS A 186 81.175 -65.304 12.858 1.00 0.05 H HETATM 2354 H76 HIS A 186 82.884 -66.015 14.520 1.00 0.08 H HETATM 2355 H75 HIS A 186 81.832 -68.037 14.182 1.00 0.19 H HETATM 2356 CB HIS A 186 78.799 -68.762 13.039 1.00 -0.01 C HETATM 2357 CG HIS A 186 78.248 -70.040 12.426 1.00 -0.04 C HETATM 2358 CD HIS A 186 79.325 -70.781 11.658 1.00 -0.01 C HETATM 2359 CE HIS A 186 79.807 -69.957 10.475 1.00 -0.04 C HETATM 2360 NZ HIS A 186 80.809 -70.690 9.641 1.00 0.22 N HETATM 2361 H72 HIS A 186 81.098 -70.106 8.872 1.00 0.20 H HETATM 2362 H73 HIS A 186 80.394 -71.536 9.283 1.00 0.20 H HETATM 2363 H74 HIS A 186 81.611 -70.922 10.206 1.00 0.20 H HETATM 2364 H70 HIS A 186 80.270 -69.033 10.853 1.00 0.08 H HETATM 2365 H71 HIS A 186 78.942 -69.703 9.845 1.00 0.08 H HETATM 2366 H68 HIS A 186 78.916 -71.734 11.291 1.00 0.03 H HETATM 2367 H69 HIS A 186 80.174 -70.980 12.329 1.00 0.03 H HETATM 2368 H66 HIS A 186 77.427 -69.785 11.739 1.00 0.03 H HETATM 2369 H67 HIS A 186 77.867 -70.689 13.228 1.00 0.03 H HETATM 2370 H64 HIS A 186 79.538 -68.337 12.343 1.00 0.03 H HETATM 2371 H65 HIS A 186 77.966 -68.055 13.166 1.00 0.03 H HETATM 2372 H63 HIS A 186 80.326 -69.642 14.283 1.00 0.08 H HETATM 2373 H62 HIS A 186 77.744 -68.986 15.640 1.00 0.19 H HETATM 2374 CB HIS A 186 77.932 -71.185 18.176 1.00 -0.01 C HETATM 2375 CG HIS A 186 77.248 -72.366 18.795 1.00 -0.03 C HETATM 2376 CD HIS A 186 77.328 -73.463 17.755 1.00 0.04 C HETATM 2377 H60 HIS A 186 78.238 -74.066 17.887 1.00 0.05 H HETATM 2378 H61 HIS A 186 76.445 -74.117 17.803 1.00 0.05 H HETATM 2379 H58 HIS A 186 76.199 -72.128 19.024 1.00 0.03 H HETATM 2380 H59 HIS A 186 77.764 -72.671 19.717 1.00 0.03 H HETATM 2381 H56 HIS A 186 77.567 -70.245 18.616 1.00 0.03 H HETATM 2382 H57 HIS A 186 79.022 -71.251 18.306 1.00 0.03 H HETATM 2383 H55 HIS A 186 76.626 -70.722 16.481 1.00 0.08 H HETATM 2384 CB HIS A 186 78.113 -75.149 14.205 1.00 -0.00 C HETATM 2385 CG HIS A 186 79.481 -74.942 14.860 1.00 0.00 C HETATM 2386 CD HIS A 186 79.641 -75.739 16.142 1.00 0.04 C HETATM 2387 OE1 HIS A 186 78.719 -75.695 16.981 1.00 -0.57 O HETATM 2388 OE2 HIS A 186 80.688 -76.402 16.323 1.00 -0.57 O HETATM 2389 H53 HIS A 186 79.603 -73.874 15.092 1.00 0.04 H HETATM 2390 H54 HIS A 186 80.262 -75.254 14.151 1.00 0.04 H HETATM 2391 H51 HIS A 186 78.109 -74.614 13.244 1.00 0.03 H HETATM 2392 H52 HIS A 186 77.978 -76.226 14.026 1.00 0.03 H HETATM 2393 H50 HIS A 186 76.962 -75.141 16.018 1.00 0.08 H HETATM 2394 H49 HIS A 186 75.646 -75.426 13.492 1.00 0.19 H HETATM 2395 H47 HIS A 186 73.373 -75.134 13.230 1.00 0.08 H HETATM 2396 H48 HIS A 186 73.014 -76.279 14.567 1.00 0.08 H HETATM 2397 H46 HIS A 186 71.333 -74.835 15.240 1.00 0.19 H HETATM 2398 CB HIS A 186 71.019 -70.986 15.149 1.00 0.00 C HETATM 2399 CG HIS A 186 69.816 -70.101 15.300 1.00 -0.04 C HETATM 2400 CD1 HIS A 186 68.992 -70.007 16.391 1.00 0.02 C HETATM 2401 NE1 HIS A 186 68.002 -69.076 16.158 1.00 -0.29 N HETATM 2402 CE2 HIS A 186 68.174 -68.554 14.902 1.00 0.06 C HETATM 2403 CD2 HIS A 186 69.309 -69.173 14.335 1.00 -0.02 C HETATM 2404 CE3 HIS A 186 69.702 -68.808 13.043 1.00 -0.07 C HETATM 2405 CZ3 HIS A 186 68.963 -67.854 12.371 1.00 -0.08 C HETATM 2406 CH2 HIS A 186 67.841 -67.257 12.961 1.00 -0.08 C HETATM 2407 CZ2 HIS A 186 67.431 -67.592 14.221 1.00 -0.04 C HETATM 2408 H43 HIS A 186 66.562 -67.127 14.673 1.00 0.05 H HETATM 2409 H45 HIS A 186 67.285 -66.511 12.405 1.00 0.05 H HETATM 2410 H44 HIS A 186 69.256 -67.562 11.369 1.00 0.05 H HETATM 2411 H42 HIS A 186 70.569 -69.264 12.579 1.00 0.05 H HETATM 2412 H41 HIS A 186 67.256 -68.816 16.819 1.00 0.22 H HETATM 2413 H40 HIS A 186 69.103 -70.584 17.308 1.00 0.08 H HETATM 2414 H38 HIS A 186 71.695 -70.530 14.411 1.00 0.04 H HETATM 2415 H39 HIS A 186 71.528 -71.050 16.122 1.00 0.04 H HETATM 2416 H37 HIS A 186 70.079 -72.327 13.771 1.00 0.08 H HETATM 2417 H36 HIS A 186 70.062 -72.958 16.658 1.00 0.19 H HETATM 2418 CB HIS A 186 68.170 -76.024 16.440 1.00 0.04 C HETATM 2419 CG HIS A 186 69.612 -76.495 16.366 1.00 0.04 C HETATM 2420 OD1 HIS A 186 70.529 -75.680 16.598 1.00 -0.57 O HETATM 2421 OD2 HIS A 186 69.826 -77.695 16.086 1.00 -0.57 O HETATM 2422 H34 HIS A 186 67.626 -76.422 15.571 1.00 0.05 H HETATM 2423 H35 HIS A 186 67.720 -76.415 17.364 1.00 0.05 H HETATM 2424 H33 HIS A 186 68.411 -74.112 17.402 1.00 0.08 H HETATM 2425 H32 HIS A 186 66.097 -74.561 15.578 1.00 0.19 H HETATM 2426 CB HIS A 186 64.408 -71.564 16.269 1.00 -0.00 C HETATM 2427 CG1 HIS A 186 62.951 -71.309 15.866 1.00 -0.05 C HETATM 2428 CD1 HIS A 186 62.357 -72.381 14.971 1.00 -0.06 C HETATM 2429 H29 HIS A 186 61.315 -72.122 14.730 1.00 0.02 H HETATM 2430 H30 HIS A 186 62.383 -73.350 15.492 1.00 0.02 H HETATM 2431 H31 HIS A 186 62.942 -72.448 14.042 1.00 0.02 H HETATM 2432 H24 HIS A 186 62.904 -70.349 15.332 1.00 0.03 H HETATM 2433 H25 HIS A 186 62.345 -71.249 16.782 1.00 0.03 H HETATM 2434 CG2 HIS A 186 65.363 -71.342 15.106 1.00 -0.06 C HETATM 2435 H26 HIS A 186 66.394 -71.535 15.437 1.00 0.02 H HETATM 2436 H27 HIS A 186 65.279 -70.303 14.755 1.00 0.02 H HETATM 2437 H28 HIS A 186 65.107 -72.028 14.285 1.00 0.02 H HETATM 2438 H23 HIS A 186 64.670 -70.851 17.064 1.00 0.03 H HETATM 2439 H22 HIS A 186 64.232 -73.705 16.062 1.00 0.08 H HETATM 2440 H21 HIS A 186 63.171 -72.438 18.333 1.00 0.19 H HETATM 2441 CB HIS A 186 63.384 -74.892 21.111 1.00 -0.02 C HETATM 2442 H18 HIS A 186 64.139 -74.153 21.418 1.00 0.03 H HETATM 2443 H19 HIS A 186 63.868 -75.867 20.953 1.00 0.03 H HETATM 2444 H20 HIS A 186 62.621 -74.984 21.898 1.00 0.03 H HETATM 2445 H17 HIS A 186 62.258 -73.454 19.981 1.00 0.08 H HETATM 2446 H16 HIS A 186 61.675 -76.295 19.784 1.00 0.19 H HETATM 2447 CB HIS A 186 60.866 -76.728 16.582 1.00 -0.00 C HETATM 2448 CG HIS A 186 61.176 -75.678 15.519 1.00 0.00 C HETATM 2449 CD HIS A 186 61.984 -76.230 14.354 1.00 0.04 C HETATM 2450 OE1 HIS A 186 62.412 -77.403 14.424 1.00 -0.57 O HETATM 2451 OE2 HIS A 186 62.188 -75.486 13.367 1.00 -0.57 O HETATM 2452 H14 HIS A 186 61.748 -74.864 15.987 1.00 0.04 H HETATM 2453 H15 HIS A 186 60.226 -75.282 15.130 1.00 0.04 H HETATM 2454 H12 HIS A 186 60.277 -77.531 16.116 1.00 0.03 H HETATM 2455 H13 HIS A 186 61.817 -77.138 16.953 1.00 0.03 H HETATM 2456 H11 HIS A 186 59.909 -76.984 18.505 1.00 0.08 H HETATM 2457 H10 HIS A 186 58.610 -75.561 16.358 1.00 0.19 H HETATM 2458 CB HIS A 186 56.852 -73.094 17.504 1.00 0.03 C HETATM 2459 CG HIS A 186 55.682 -72.359 16.928 1.00 0.00 C HETATM 2460 ND1 HIS A 186 55.407 -72.338 15.576 1.00 -0.33 N HETATM 2461 CE1 HIS A 186 54.323 -71.611 15.361 1.00 0.09 C HETATM 2462 NE2 HIS A 186 53.891 -71.154 16.523 1.00 -0.28 N HETATM 2463 CD2 HIS A 186 54.724 -71.604 17.519 1.00 0.03 C HETATM 2464 H7 HIS A 186 54.632 -71.394 18.584 1.00 0.07 H HETATM 2465 H9 HIS A 186 53.063 -70.557 16.660 1.00 0.24 H HETATM 2466 H8 HIS A 186 53.865 -71.421 14.392 1.00 0.12 H HETATM 2467 H5 HIS A 186 57.721 -72.929 16.849 1.00 0.05 H HETATM 2468 H6 HIS A 186 57.062 -72.682 18.502 1.00 0.05 H HETATM 2469 H4 HIS A 186 56.442 -75.025 16.644 1.00 0.11 H HETATM 2470 H1 HIS A 186 54.656 -74.455 18.099 1.00 0.20 H HETATM 2471 H2 HIS A 186 55.641 -74.520 19.416 1.00 0.20 H HETATM 2472 H3 HIS A 186 55.337 -75.885 18.547 1.00 0.20 H CONECT 146 147 156 157 158 CONECT 156 146 CONECT 157 146 CONECT 158 146 CONECT 508 509 512 513 514 CONECT 512 508 CONECT 513 508 CONECT 514 508 CONECT 972 973 979 980 981 CONECT 979 972 CONECT 980 972 CONECT 981 972 CONECT 2226 2227 2470 2471 2472 CONECT 2227 2226 2228 2458 2469 CONECT 2228 2227 2229 2230 CONECT 2229 2228 CONECT 2230 2228 2231 2457 CONECT 2231 2230 2232 2447 2456 CONECT 2232 2231 2233 2234 CONECT 2233 2232 CONECT 2234 2232 2235 2446 CONECT 2235 2234 2236 2441 2445 CONECT 2236 2235 2237 2238 CONECT 2237 2236 CONECT 2238 2236 2239 2440 CONECT 2239 2238 2240 2426 2439 CONECT 2240 2239 2241 2242 CONECT 2241 2240 CONECT 2242 2240 2243 2425 CONECT 2243 2242 2244 2418 2424 CONECT 2244 2243 2245 2246 CONECT 2245 2244 CONECT 2246 2244 2247 2417 CONECT 2247 2246 2248 2398 2416 CONECT 2248 2247 2249 2250 CONECT 2249 2248 CONECT 2250 2248 2251 2397 CONECT 2251 2250 2252 2395 2396 CONECT 2252 2251 2253 2254 CONECT 2253 2252 CONECT 2254 2252 2255 2394 CONECT 2255 2254 2256 2384 2393 CONECT 2256 2255 2257 2258 CONECT 2257 2256 CONECT 2258 2256 2259 2376 CONECT 2259 2258 2260 2374 2383 CONECT 2260 2259 2261 2262 CONECT 2261 2260 CONECT 2262 2260 2263 2373 CONECT 2263 2262 2264 2356 2372 CONECT 2264 2263 2265 2266 CONECT 2265 2264 CONECT 2266 2264 2267 2355 CONECT 2267 2266 2268 2348 2354 CONECT 2268 2267 2269 2270 CONECT 2269 2268 CONECT 2270 2268 2271 2347 CONECT 2271 2270 2272 2330 2346 CONECT 2272 2271 2273 2274 CONECT 2273 2272 CONECT 2274 2272 2275 2329 CONECT 2275 2274 2276 2319 2328 CONECT 2276 2275 2277 2278 CONECT 2277 2276 CONECT 2278 2276 2279 2318 CONECT 2279 2278 2280 2307 2317 CONECT 2280 2279 2281 2282 CONECT 2281 2280 CONECT 2282 2280 2283 2306 CONECT 2283 2282 2284 2287 2305 CONECT 2284 2283 2285 2286 CONECT 2285 2284 CONECT 2286 2284 CONECT 2287 2283 2288 2303 2304 CONECT 2288 2287 2289 2292 CONECT 2289 2288 2290 2302 CONECT 2290 2289 2291 2301 CONECT 2291 2290 2292 2296 CONECT 2292 2288 2291 2293 CONECT 2293 2292 2294 2300 CONECT 2294 2293 2295 2299 CONECT 2295 2294 2296 2298 CONECT 2296 2291 2295 2297 CONECT 2297 2296 CONECT 2298 2295 CONECT 2299 2294 CONECT 2300 2293 CONECT 2301 2290 CONECT 2302 2289 CONECT 2303 2287 CONECT 2304 2287 CONECT 2305 2283 CONECT 2306 2282 CONECT 2307 2279 2308 2312 2316 CONECT 2308 2307 2309 2310 2311 CONECT 2309 2308 CONECT 2310 2308 CONECT 2311 2308 CONECT 2312 2307 2313 2314 2315 CONECT 2313 2312 CONECT 2314 2312 CONECT 2315 2312 CONECT 2316 2307 CONECT 2317 2279 CONECT 2318 2278 CONECT 2319 2275 2320 2326 2327 CONECT 2320 2319 2321 2324 2325 CONECT 2321 2320 2322 2323 CONECT 2322 2321 CONECT 2323 2321 CONECT 2324 2320 CONECT 2325 2320 CONECT 2326 2319 CONECT 2327 2319 CONECT 2328 2275 CONECT 2329 2274 CONECT 2330 2271 2331 2344 2345 CONECT 2331 2330 2332 2342 2343 CONECT 2332 2331 2333 2340 2341 CONECT 2333 2332 2334 2338 2339 CONECT 2334 2333 2335 2336 2337 CONECT 2335 2334 CONECT 2336 2334 CONECT 2337 2334 CONECT 2338 2333 CONECT 2339 2333 CONECT 2340 2332 CONECT 2341 2332 CONECT 2342 2331 CONECT 2343 2331 CONECT 2344 2330 CONECT 2345 2330 CONECT 2346 2271 CONECT 2347 2270 CONECT 2348 2267 2349 2352 2353 CONECT 2349 2348 2350 2351 CONECT 2350 2349 CONECT 2351 2349 CONECT 2352 2348 CONECT 2353 2348 CONECT 2354 2267 CONECT 2355 2266 CONECT 2356 2263 2357 2370 2371 CONECT 2357 2356 2358 2368 2369 CONECT 2358 2357 2359 2366 2367 CONECT 2359 2358 2360 2364 2365 CONECT 2360 2359 2361 2362 2363 CONECT 2361 2360 CONECT 2362 2360 CONECT 2363 2360 CONECT 2364 2359 CONECT 2365 2359 CONECT 2366 2358 CONECT 2367 2358 CONECT 2368 2357 CONECT 2369 2357 CONECT 2370 2356 CONECT 2371 2356 CONECT 2372 2263 CONECT 2373 2262 CONECT 2374 2259 2375 2381 2382 CONECT 2375 2374 2376 2379 2380 CONECT 2376 2258 2375 2377 2378 CONECT 2377 2376 CONECT 2378 2376 CONECT 2379 2375 CONECT 2380 2375 CONECT 2381 2374 CONECT 2382 2374 CONECT 2383 2259 CONECT 2384 2255 2385 2391 2392 CONECT 2385 2384 2386 2389 2390 CONECT 2386 2385 2387 2388 CONECT 2387 2386 CONECT 2388 2386 CONECT 2389 2385 CONECT 2390 2385 CONECT 2391 2384 CONECT 2392 2384 CONECT 2393 2255 CONECT 2394 2254 CONECT 2395 2251 CONECT 2396 2251 CONECT 2397 2250 CONECT 2398 2247 2399 2414 2415 CONECT 2399 2398 2400 2403 CONECT 2400 2399 2401 2413 CONECT 2401 2400 2402 2412 CONECT 2402 2401 2403 2407 CONECT 2403 2399 2402 2404 CONECT 2404 2403 2405 2411 CONECT 2405 2404 2406 2410 CONECT 2406 2405 2407 2409 CONECT 2407 2402 2406 2408 CONECT 2408 2407 CONECT 2409 2406 CONECT 2410 2405 CONECT 2411 2404 CONECT 2412 2401 CONECT 2413 2400 CONECT 2414 2398 CONECT 2415 2398 CONECT 2416 2247 CONECT 2417 2246 CONECT 2418 2243 2419 2422 2423 CONECT 2419 2418 2420 2421 CONECT 2420 2419 CONECT 2421 2419 CONECT 2422 2418 CONECT 2423 2418 CONECT 2424 2243 CONECT 2425 2242 CONECT 2426 2239 2427 2434 2438 CONECT 2427 2426 2428 2432 2433 CONECT 2428 2427 2429 2430 2431 CONECT 2429 2428 CONECT 2430 2428 CONECT 2431 2428 CONECT 2432 2427 CONECT 2433 2427 CONECT 2434 2426 2435 2436 2437 CONECT 2435 2434 CONECT 2436 2434 CONECT 2437 2434 CONECT 2438 2426 CONECT 2439 2239 CONECT 2440 2238 CONECT 2441 2235 2442 2443 2444 CONECT 2442 2441 CONECT 2443 2441 CONECT 2444 2441 CONECT 2445 2235 CONECT 2446 2234 CONECT 2447 2231 2448 2454 2455 CONECT 2448 2447 2449 2452 2453 CONECT 2449 2448 2450 2451 CONECT 2450 2449 CONECT 2451 2449 CONECT 2452 2448 CONECT 2453 2448 CONECT 2454 2447 CONECT 2455 2447 CONECT 2456 2231 CONECT 2457 2230 CONECT 2458 2227 2459 2467 2468 CONECT 2459 2458 2460 2463 CONECT 2460 2459 2461 CONECT 2461 2460 2462 2466 CONECT 2462 2461 2463 2465 CONECT 2463 2459 2462 2464 CONECT 2464 2463 CONECT 2465 2462 CONECT 2466 2461 CONECT 2467 2458 CONECT 2468 2458 CONECT 2469 2227 CONECT 2470 2226 CONECT 2471 2226 CONECT 2472 2226 MASTER 0 0 0 0 0 0 0 0 2467 5 259 20 END
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PDB Code
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15-mer
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PDBbind
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PDBbind
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RCSB PDB
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PDBbind
15-mer
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PDBbind
15-mer
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PDBbind
15-mer
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15-mer
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PDBbind
15-mer
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PDBbind
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15-mer
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PDBbind
15-mer
5t1i
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PDBbind
15-mer
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PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5cqx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mRNA Endonuclease MazF mutant E24A
Ligand Name
15-mer
EC.Number
E.C.3.1.27
Resolution
1.63(Å)
Affinity (Kd/Ki/IC50)
Kd=4.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 10950-10960
Ligand Properties
Formula
C
8
4
H
1
2
2
N
2
1
O
2
6
Molecular Weight
1841.990
Exact Mass
1840.890
No. of atoms
253
No. of bonds
258
Polar Surface Area
765.59
LOGP Value
-1.37 (
Computed with XLOGP3
)
-0.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 27
No. of Rotatable Bonds: 66
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)CCC(=O)O)CCCC[NH3+])CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)[NH3+])CCC(=O)O)C)CC(=O)O)CCC(=O)O
InChI String
InChI=1S/C84H119N21O26/c1-6-43(4)70(104-71(117)44(5)93-74(120)55(23-26-64(107)108)95-72(118)50(87)34-47-39-88-41-92-47)82(128)101-60(36-68(115)116)79(125)99-58(32-45-37-89-51-18-9-7-16-48(45)51)73(119)91-40-63(106)94-57(25-28-66(111)112)83(129)105-31-15-22-62(105)80(126)98-54(21-12-14-30-86)76(122)100-59(35-67(113)114)78(124)96-53(20-11-13-29-85)75(121)97-56(24-27-65(109)110)77(123)103-69(42(2)3)81(127)102-61(84(130)131)33-46-38-90-52-19-10-8-17-49(46)52/h7-10,16-19,37-39,41-44,50,53-62,69-70,89-90H,6,11-15,20-36,40,85-87H2,1-5H3,(H,88,92)(H,91,119)(H,93,120)(H,94,106)(H,95,118)(H,96,124)(H,97,121)(H,98,126)(H,99,125)(H,100,122)(H,101,128)(H,102,127)(H,103,123)(H,104,117)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,130,131)/p+3/t43-,44-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0AE72
P0AE70
Entrez Gene ID
NCBI Entrez Gene ID:
61754221
947245
61731222
947252
ASD
Information of known allosteric effects of PDB entries
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