Browse entries in the PDBbind-CN Database
HEADER 5NB7_COMPLEX COMPND 5NB7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 230 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 230 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 230 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 230 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 230 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 230 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 230 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 230 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 230 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 230 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 230 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 230 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 230 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 230 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 230 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 230 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 230 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 230 TRP ILE ASP SER VAL LEU ALA SER ALA HET UNN A 446 50 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 5.203 1.254 9.867 1.00 15.72 N ATOM 2 CA ILE A 16 4.536 -0.096 9.722 1.00 17.02 C ATOM 3 C ILE A 16 3.159 -0.047 10.398 1.00 19.48 C ATOM 4 O ILE A 16 3.021 0.360 11.517 1.00 19.44 O ATOM 5 CB ILE A 16 5.369 -1.204 10.353 1.00 19.44 C ATOM 6 CG1 ILE A 16 6.743 -1.280 9.801 1.00 16.89 C ATOM 7 CG2 ILE A 16 4.665 -2.468 10.442 1.00 20.96 C ATOM 8 CD1 ILE A 16 6.930 -1.888 8.415 1.00 17.67 C ATOM 9 HN3 ILE A 16 5.315 1.478 10.877 1.00 0.00 H ATOM 10 HN2 ILE A 16 4.614 1.981 9.413 1.00 0.00 H ATOM 11 HN1 ILE A 16 6.137 1.228 9.411 1.00 0.00 H ATOM 12 N LEU A 17 2.125 -0.446 9.664 1.00 20.43 N ATOM 13 CA LEU A 17 0.822 -0.554 10.206 1.00 21.24 C ATOM 14 C LEU A 17 0.530 -2.007 10.516 1.00 19.30 C ATOM 15 O LEU A 17 0.829 -2.851 9.745 1.00 21.19 O ATOM 16 CB LEU A 17 -0.174 -0.070 9.239 1.00 21.59 C ATOM 17 CG LEU A 17 -0.062 1.377 8.697 1.00 26.83 C ATOM 18 CD1 LEU A 17 -1.340 1.680 7.989 1.00 28.12 C ATOM 19 CD2 LEU A 17 0.022 2.366 9.829 1.00 26.72 C ATOM 20 H LEU A 17 2.278 -0.685 8.664 1.00 0.00 H ATOM 21 N GLY A 18 -0.145 -2.239 11.621 1.00 26.36 N ATOM 22 CA GLY A 18 -0.474 -3.606 12.010 1.00 19.37 C ATOM 23 C GLY A 18 0.586 -4.528 12.476 1.00 21.59 C ATOM 24 O GLY A 18 0.348 -5.729 12.468 1.00 24.33 O ATOM 25 H GLY A 18 -0.446 -1.444 12.220 1.00 0.00 H ATOM 26 N GLY A 19 1.779 -3.963 12.823 1.00 20.78 N ATOM 27 CA GLY A 19 2.857 -4.682 13.168 1.00 21.39 C ATOM 28 C GLY A 19 3.023 -4.681 14.654 1.00 21.01 C ATOM 29 O GLY A 19 2.064 -4.525 15.431 1.00 20.50 O ATOM 30 H GLY A 19 1.856 -2.926 12.820 1.00 0.00 H ATOM 31 N ARG A 20 4.219 -5.046 15.075 1.00 18.28 N ATOM 32 CA ARG A 20 4.538 -5.185 16.532 1.00 22.88 C ATOM 33 C ARG A 20 5.980 -4.737 16.661 1.00 19.02 C ATOM 34 O ARG A 20 6.695 -4.650 15.622 1.00 17.31 O ATOM 35 CB ARG A 20 4.501 -6.655 17.053 1.00 27.28 C ATOM 36 CG ARG A 20 3.154 -7.262 16.892 1.00 32.70 C ATOM 37 CD ARG A 20 3.139 -8.778 16.862 1.00 49.12 C ATOM 38 NE ARG A 20 3.669 -9.295 18.111 1.00 54.99 N ATOM 39 CZ ARG A 20 3.027 -10.125 18.955 1.00 66.42 C ATOM 40 NH1 ARG A 20 1.776 -10.550 18.729 1.00 80.75 N ATOM 41 NH2 ARG A 20 3.643 -10.546 20.068 1.00 83.52 N ATOM 42 HE ARG A 20 4.629 -8.998 18.377 1.00 0.00 H ATOM 43 HH12 ARG A 20 1.314 -11.191 19.405 1.00 0.00 H ATOM 44 HH11 ARG A 20 1.267 -10.239 17.877 1.00 0.00 H ATOM 45 HH22 ARG A 20 3.152 -11.187 20.723 1.00 0.00 H ATOM 46 HH21 ARG A 20 4.612 -10.232 20.277 1.00 0.00 H ATOM 47 H ARG A 20 4.962 -5.243 14.375 1.00 0.00 H ATOM 48 N GLU A 21 6.481 -4.468 17.905 1.00 16.31 N ATOM 49 CA GLU A 21 7.783 -4.049 18.075 1.00 16.23 C ATOM 50 C GLU A 21 8.708 -5.198 17.782 1.00 17.51 C ATOM 51 O GLU A 21 8.480 -6.375 18.237 1.00 17.45 O ATOM 52 CB GLU A 21 7.974 -3.643 19.611 1.00 17.89 C ATOM 53 CG GLU A 21 9.286 -2.885 19.812 1.00 19.49 C ATOM 54 CD GLU A 21 9.581 -2.249 21.099 1.00 20.94 C ATOM 55 OE1 GLU A 21 8.615 -1.760 21.709 1.00 20.00 O ATOM 56 OE2 GLU A 21 10.764 -2.484 21.591 1.00 20.69 O ATOM 57 H GLU A 21 5.868 -4.582 18.738 1.00 0.00 H ATOM 58 N ALA A 22 9.719 -4.981 16.944 1.00 15.81 N ATOM 59 CA ALA A 22 10.762 -5.981 16.711 1.00 16.06 C ATOM 60 C ALA A 22 11.572 -6.325 17.947 1.00 17.17 C ATOM 61 O ALA A 22 11.741 -5.480 18.858 1.00 19.28 O ATOM 62 CB ALA A 22 11.692 -5.397 15.627 1.00 17.57 C ATOM 63 H ALA A 22 9.769 -4.073 16.439 1.00 0.00 H ATOM 64 N GLU A 23 12.168 -7.554 17.967 1.00 18.42 N ATOM 65 CA GLU A 23 13.237 -7.930 18.959 1.00 21.34 C ATOM 66 C GLU A 23 14.396 -7.043 18.713 1.00 17.78 C ATOM 67 O GLU A 23 14.778 -6.806 17.530 1.00 15.89 O ATOM 68 CB GLU A 23 13.606 -9.385 18.801 1.00 21.77 C ATOM 69 CG GLU A 23 14.607 -9.936 19.746 1.00 42.50 C ATOM 70 CD GLU A 23 15.072 -11.341 19.370 1.00 48.15 C ATOM 71 OE1 GLU A 23 14.449 -11.975 18.501 1.00 61.79 O ATOM 72 OE2 GLU A 23 16.080 -11.768 19.977 1.00 90.89 O ATOM 73 H GLU A 23 11.870 -8.262 17.266 1.00 0.00 H ATOM 74 N ALA A 24 14.971 -6.399 19.709 1.00 18.93 N ATOM 75 CA ALA A 24 16.081 -5.515 19.491 1.00 17.80 C ATOM 76 C ALA A 24 17.219 -6.182 18.885 1.00 15.72 C ATOM 77 O ALA A 24 17.677 -7.245 19.290 1.00 20.06 O ATOM 78 CB ALA A 24 16.538 -4.929 20.877 1.00 18.96 C ATOM 79 H ALA A 24 14.612 -6.534 20.676 1.00 0.00 H ATOM 80 N HIS A 25 17.690 -5.536 17.761 1.00 15.24 N ATOM 81 CA HIS A 25 18.908 -5.979 17.049 1.00 14.29 C ATOM 82 C HIS A 25 18.793 -7.299 16.360 1.00 13.69 C ATOM 83 O HIS A 25 19.819 -7.848 16.015 1.00 17.04 O ATOM 84 CB HIS A 25 20.185 -5.897 18.068 1.00 15.87 C ATOM 85 CG HIS A 25 20.175 -4.644 18.866 1.00 15.46 C ATOM 86 ND1 HIS A 25 20.339 -3.419 18.292 1.00 14.99 N ATOM 87 CD2 HIS A 25 19.966 -4.389 20.200 1.00 17.64 C ATOM 88 CE1 HIS A 25 20.237 -2.457 19.210 1.00 14.58 C ATOM 89 NE2 HIS A 25 19.976 -3.026 20.359 1.00 17.31 N ATOM 90 H HIS A 25 17.171 -4.709 17.402 1.00 0.00 H ATOM 91 N ALA A 26 17.567 -7.792 16.222 1.00 13.62 N ATOM 92 CA ALA A 26 17.372 -9.084 15.560 1.00 14.63 C ATOM 93 C ALA A 26 17.504 -8.959 14.032 1.00 13.68 C ATOM 94 O ALA A 26 17.525 -10.004 13.329 1.00 14.12 O ATOM 95 CB ALA A 26 16.053 -9.713 15.943 1.00 18.56 C ATOM 96 H ALA A 26 16.748 -7.262 16.583 1.00 0.00 H ATOM 97 N ARG A 27 17.539 -7.719 13.550 1.00 13.37 N ATOM 98 CA ARG A 27 17.658 -7.471 12.076 1.00 12.60 C ATOM 99 C ARG A 27 18.898 -6.534 12.008 1.00 11.80 C ATOM 100 O ARG A 27 18.756 -5.279 11.819 1.00 12.12 O ATOM 101 CB ARG A 27 16.375 -6.829 11.560 1.00 12.49 C ATOM 102 CG ARG A 27 15.231 -7.740 11.536 1.00 13.64 C ATOM 103 CD ARG A 27 13.942 -7.042 11.349 1.00 14.15 C ATOM 104 NE ARG A 27 12.761 -7.868 11.361 1.00 17.66 N ATOM 105 CZ ARG A 27 12.310 -8.488 12.419 1.00 15.64 C ATOM 106 NH1 ARG A 27 12.774 -8.209 13.627 1.00 18.97 N ATOM 107 NH2 ARG A 27 11.340 -9.298 12.280 1.00 18.03 N ATOM 108 HE ARG A 27 12.234 -7.978 10.471 1.00 0.00 H ATOM 109 HH12 ARG A 27 12.402 -8.714 14.456 1.00 0.00 H ATOM 110 HH11 ARG A 27 13.511 -7.485 13.747 1.00 0.00 H ATOM 111 HH22 ARG A 27 10.963 -9.804 13.106 1.00 0.00 H ATOM 112 HH21 ARG A 27 10.924 -9.455 11.340 1.00 0.00 H ATOM 113 H ARG A 27 17.483 -6.912 14.204 1.00 0.00 H ATOM 114 N PRO A 28 20.081 -7.109 12.008 1.00 12.35 N ATOM 115 CA PRO A 28 21.283 -6.266 12.121 1.00 12.53 C ATOM 116 C PRO A 28 21.681 -5.516 10.843 1.00 9.94 C ATOM 117 O PRO A 28 22.531 -4.649 10.936 1.00 11.00 O ATOM 118 CB PRO A 28 22.371 -7.252 12.499 1.00 15.57 C ATOM 119 CG PRO A 28 21.864 -8.580 12.051 1.00 16.91 C ATOM 120 CD PRO A 28 20.368 -8.542 12.174 1.00 15.12 C ATOM 121 N TYR A 29 20.925 -5.770 9.787 1.00 10.59 N ATOM 122 CA TYR A 29 21.065 -5.051 8.547 1.00 9.25 C ATOM 123 C TYR A 29 20.282 -3.821 8.502 1.00 8.83 C ATOM 124 O TYR A 29 20.378 -2.997 7.522 1.00 10.27 O ATOM 125 CB TYR A 29 20.642 -5.965 7.377 1.00 9.72 C ATOM 126 CG TYR A 29 19.284 -6.600 7.607 1.00 10.64 C ATOM 127 CD1 TYR A 29 18.125 -5.931 7.339 1.00 10.61 C ATOM 128 CD2 TYR A 29 19.141 -7.885 8.121 1.00 11.49 C ATOM 129 CE1 TYR A 29 16.886 -6.485 7.539 1.00 11.47 C ATOM 130 CE2 TYR A 29 17.885 -8.437 8.402 1.00 13.17 C ATOM 131 CZ TYR A 29 16.745 -7.734 8.081 1.00 13.13 C ATOM 132 OH TYR A 29 15.462 -8.252 8.236 1.00 16.24 O ATOM 133 HH TYR A 29 14.798 -7.578 7.945 1.00 0.00 H ATOM 134 H TYR A 29 20.204 -6.516 9.855 1.00 0.00 H ATOM 135 N MET A 30 19.368 -3.550 9.446 1.00 9.68 N ATOM 136 CA MET A 30 18.445 -2.459 9.366 1.00 9.14 C ATOM 137 C MET A 30 19.095 -1.135 9.538 1.00 10.65 C ATOM 138 O MET A 30 19.851 -0.944 10.528 1.00 12.45 O ATOM 139 CB MET A 30 17.300 -2.566 10.362 1.00 12.67 C ATOM 140 CG MET A 30 16.112 -1.840 10.172 1.00 18.59 C ATOM 141 SD MET A 30 15.216 -2.306 8.634 1.00 23.23 S ATOM 142 CE MET A 30 14.665 -0.602 8.414 1.00 24.63 C ATOM 143 H MET A 30 19.328 -4.167 10.282 1.00 0.00 H ATOM 144 N ALA A 31 18.815 -0.142 8.728 1.00 9.10 N ATOM 145 CA ALA A 31 19.321 1.227 8.798 1.00 9.71 C ATOM 146 C ALA A 31 18.219 2.237 8.859 1.00 8.34 C ATOM 147 O ALA A 31 17.143 2.044 8.220 1.00 9.25 O ATOM 148 CB ALA A 31 20.160 1.541 7.555 1.00 10.31 C ATOM 149 H ALA A 31 18.159 -0.353 7.949 1.00 0.00 H ATOM 150 N SER A 32 18.467 3.329 9.587 1.00 8.73 N ATOM 151 CA SER A 32 17.654 4.512 9.511 1.00 8.97 C ATOM 152 C SER A 32 18.419 5.581 8.760 1.00 8.66 C ATOM 153 O SER A 32 19.515 5.959 9.175 1.00 9.81 O ATOM 154 CB SER A 32 17.256 5.040 10.885 1.00 9.91 C ATOM 155 OG SER A 32 16.661 6.267 10.881 1.00 9.80 O ATOM 156 HG SER A 32 15.833 6.229 10.340 1.00 0.00 H ATOM 157 H SER A 32 19.281 3.323 10.235 1.00 0.00 H ATOM 158 N VAL A 33 17.832 6.020 7.630 1.00 8.53 N ATOM 159 CA VAL A 33 18.394 7.069 6.832 1.00 8.69 C ATOM 160 C VAL A 33 17.807 8.389 7.311 1.00 8.01 C ATOM 161 O VAL A 33 16.589 8.510 7.405 1.00 10.00 O ATOM 162 CB VAL A 33 18.144 6.877 5.276 1.00 9.50 C ATOM 163 CG1 VAL A 33 18.669 8.066 4.492 1.00 11.24 C ATOM 164 CG2 VAL A 33 18.693 5.532 4.843 1.00 10.46 C ATOM 165 H VAL A 33 16.939 5.582 7.326 1.00 0.00 H ATOM 166 N GLN A 34 18.678 9.346 7.680 1.00 9.49 N ATOM 167 CA GLN A 34 18.269 10.542 8.405 1.00 9.87 C ATOM 168 C GLN A 34 18.668 11.788 7.717 1.00 10.36 C ATOM 169 O GLN A 34 19.716 11.825 7.014 1.00 12.50 O ATOM 170 CB GLN A 34 18.867 10.477 9.802 1.00 11.22 C ATOM 171 CG GLN A 34 18.473 9.166 10.479 1.00 10.51 C ATOM 172 CD GLN A 34 18.661 9.137 12.023 1.00 11.45 C ATOM 173 OE1 GLN A 34 19.392 9.996 12.556 1.00 15.34 O ATOM 174 NE2 GLN A 34 18.003 8.211 12.631 1.00 11.81 N ATOM 175 HE22 GLN A 34 17.421 7.544 12.086 1.00 0.00 H ATOM 176 HE21 GLN A 34 18.054 8.131 13.667 1.00 0.00 H ATOM 177 H GLN A 34 19.683 9.227 7.438 1.00 0.00 H ATOM 178 N LEU A 35 17.953 12.855 7.987 1.00 12.68 N ATOM 179 CA LEU A 35 18.235 14.216 7.519 1.00 15.18 C ATOM 180 C LEU A 35 18.281 15.070 8.744 1.00 18.53 C ATOM 181 O LEU A 35 17.270 15.159 9.459 1.00 22.04 O ATOM 182 CB LEU A 35 17.186 14.733 6.596 1.00 19.08 C ATOM 183 CG LEU A 35 17.369 16.151 6.082 1.00 23.85 C ATOM 184 CD1 LEU A 35 18.680 16.165 5.299 1.00 27.47 C ATOM 185 CD2 LEU A 35 16.183 16.527 5.199 1.00 32.13 C ATOM 186 H LEU A 35 17.113 12.724 8.585 1.00 0.00 H ATOM 187 N ASN A 36 19.427 15.690 9.006 1.00 21.78 N ATOM 188 CA ASN A 36 19.605 16.454 10.253 1.00 24.96 C ATOM 189 C ASN A 36 19.123 15.723 11.533 1.00 24.79 C ATOM 190 O ASN A 36 18.558 16.312 12.465 1.00 28.25 O ATOM 191 CB ASN A 36 18.851 17.783 10.115 1.00 31.15 C ATOM 192 CG ASN A 36 19.339 18.643 8.942 1.00 28.20 C ATOM 193 OD1 ASN A 36 20.499 18.575 8.522 1.00 29.68 O ATOM 194 ND2 ASN A 36 18.395 19.369 8.344 1.00 35.02 N ATOM 195 HD22 ASN A 36 17.432 19.394 8.736 1.00 0.00 H ATOM 196 HD21 ASN A 36 18.621 19.910 7.485 1.00 0.00 H ATOM 197 H ASN A 36 20.208 15.635 8.322 1.00 0.00 H ATOM 198 N GLY A 38 19.422 14.455 11.649 1.00 21.97 N ATOM 199 CA GLY A 38 19.042 13.667 12.815 1.00 20.91 C ATOM 200 C GLY A 38 17.577 13.243 12.955 1.00 18.07 C ATOM 201 O GLY A 38 17.209 12.656 13.941 1.00 20.79 O ATOM 202 H GLY A 38 19.950 13.992 10.882 1.00 0.00 H ATOM 203 N ALA A 39 16.764 13.446 11.891 1.00 16.89 N ATOM 204 CA ALA A 39 15.413 12.990 11.862 1.00 15.12 C ATOM 205 C ALA A 39 15.305 11.821 10.889 1.00 14.29 C ATOM 206 O ALA A 39 15.710 11.918 9.721 1.00 15.09 O ATOM 207 CB ALA A 39 14.506 14.081 11.499 1.00 19.46 C ATOM 208 H ALA A 39 17.139 13.953 11.064 1.00 0.00 H ATOM 209 N HIS A 40 14.677 10.725 11.247 1.00 12.24 N ATOM 210 CA HIS A 40 14.405 9.646 10.378 1.00 10.59 C ATOM 211 C HIS A 40 13.583 10.093 9.204 1.00 11.50 C ATOM 212 O HIS A 40 12.523 10.677 9.309 1.00 11.98 O ATOM 213 CB HIS A 40 13.664 8.534 11.182 1.00 12.05 C ATOM 214 CG HIS A 40 13.238 7.418 10.291 1.00 11.16 C ATOM 215 ND1 HIS A 40 14.061 6.339 10.066 1.00 9.82 N ATOM 216 CD2 HIS A 40 12.086 7.211 9.562 1.00 12.03 C ATOM 217 CE1 HIS A 40 13.428 5.541 9.234 1.00 10.25 C ATOM 218 NE2 HIS A 40 12.230 6.039 8.896 1.00 11.93 N ATOM 219 H HIS A 40 14.359 10.647 12.234 1.00 0.00 H ATOM 220 N LEU A 41 14.096 9.706 8.008 1.00 11.12 N ATOM 221 CA LEU A 41 13.363 9.851 6.708 1.00 13.28 C ATOM 222 C LEU A 41 12.918 8.530 6.137 1.00 11.38 C ATOM 223 O LEU A 41 11.783 8.427 5.573 1.00 12.37 O ATOM 224 CB LEU A 41 14.441 10.299 5.568 1.00 20.87 C ATOM 225 CG LEU A 41 15.172 11.574 5.757 1.00 21.14 C ATOM 226 CD1 LEU A 41 16.292 11.699 4.711 1.00 22.01 C ATOM 227 CD2 LEU A 41 14.155 12.640 5.473 1.00 28.81 C ATOM 228 H LEU A 41 15.048 9.287 7.993 1.00 0.00 H ATOM 229 N CYS A 42 13.774 7.545 6.081 1.00 10.07 N ATOM 230 CA CYS A 42 13.545 6.311 5.335 1.00 9.49 C ATOM 231 C CYS A 42 14.252 5.167 5.967 1.00 9.50 C ATOM 232 O CYS A 42 15.285 5.373 6.690 1.00 9.07 O ATOM 233 CB CYS A 42 14.170 6.449 3.920 1.00 10.30 C ATOM 234 SG CYS A 42 13.158 7.498 2.824 1.00 12.79 S ATOM 235 H CYS A 42 14.671 7.646 6.598 1.00 0.00 H ATOM 236 N GLY A 43 13.778 3.983 5.756 1.00 8.73 N ATOM 237 CA GLY A 43 14.536 2.816 5.996 1.00 9.81 C ATOM 238 C GLY A 43 15.721 2.665 5.071 1.00 7.63 C ATOM 239 O GLY A 43 15.753 3.371 4.004 1.00 9.08 O ATOM 240 H GLY A 43 12.806 3.887 5.398 1.00 0.00 H ATOM 241 N GLY A 44 16.555 1.740 5.338 1.00 8.26 N ATOM 242 CA GLY A 44 17.631 1.353 4.455 1.00 8.60 C ATOM 243 C GLY A 44 18.168 -0.015 4.838 1.00 8.71 C ATOM 244 O GLY A 44 17.752 -0.543 5.948 1.00 9.21 O ATOM 245 H GLY A 44 16.456 1.235 6.242 1.00 0.00 H ATOM 246 N VAL A 45 19.034 -0.625 4.092 1.00 7.92 N ATOM 247 CA VAL A 45 19.572 -1.947 4.376 1.00 9.54 C ATOM 248 C VAL A 45 21.026 -1.979 4.141 1.00 7.81 C ATOM 249 O VAL A 45 21.510 -1.586 2.999 1.00 9.47 O ATOM 250 CB VAL A 45 18.803 -3.037 3.602 1.00 11.58 C ATOM 251 CG1 VAL A 45 18.644 -2.726 2.193 1.00 15.58 C ATOM 252 CG2 VAL A 45 19.313 -4.385 3.854 1.00 11.53 C ATOM 253 H VAL A 45 19.366 -0.138 3.235 1.00 0.00 H ATOM 254 N LEU A 46 21.800 -2.416 5.095 1.00 8.55 N ATOM 255 CA LEU A 46 23.218 -2.568 4.931 1.00 8.48 C ATOM 256 C LEU A 46 23.471 -3.755 4.029 1.00 9.38 C ATOM 257 O LEU A 46 23.079 -4.860 4.279 1.00 10.10 O ATOM 258 CB LEU A 46 23.922 -2.751 6.255 1.00 9.18 C ATOM 259 CG LEU A 46 25.432 -2.758 6.273 1.00 10.22 C ATOM 260 CD1 LEU A 46 26.008 -1.428 5.937 1.00 11.63 C ATOM 261 CD2 LEU A 46 25.924 -3.211 7.651 1.00 11.54 C ATOM 262 H LEU A 46 21.373 -2.664 6.010 1.00 0.00 H ATOM 263 N VAL A 47 24.104 -3.486 2.852 1.00 8.88 N ATOM 264 CA VAL A 47 24.324 -4.562 1.812 1.00 9.12 C ATOM 265 C VAL A 47 25.791 -4.844 1.600 1.00 10.22 C ATOM 266 O VAL A 47 26.092 -5.867 0.904 1.00 13.43 O ATOM 267 CB VAL A 47 23.633 -4.226 0.475 1.00 10.62 C ATOM 268 CG1 VAL A 47 22.119 -4.305 0.630 1.00 11.66 C ATOM 269 CG2 VAL A 47 24.129 -2.914 -0.091 1.00 11.19 C ATOM 270 H VAL A 47 24.443 -2.521 2.665 1.00 0.00 H ATOM 271 N ALA A 48 26.698 -4.035 2.134 1.00 11.74 N ATOM 272 CA ALA A 48 28.116 -4.270 2.066 1.00 11.06 C ATOM 273 C ALA A 48 28.706 -3.527 3.252 1.00 13.55 C ATOM 274 O ALA A 48 27.990 -2.749 3.931 1.00 14.47 O ATOM 275 CB ALA A 48 28.719 -3.778 0.735 1.00 13.52 C ATOM 276 H ALA A 48 26.365 -3.183 2.629 1.00 0.00 H ATOM 277 N GLU A 49 29.967 -3.685 3.486 1.00 14.32 N ATOM 278 CA GLU A 49 30.494 -3.082 4.676 1.00 16.18 C ATOM 279 C GLU A 49 30.409 -1.607 4.720 1.00 15.63 C ATOM 280 O GLU A 49 30.258 -0.967 5.818 1.00 17.28 O ATOM 281 CB GLU A 49 31.959 -3.482 4.827 1.00 22.49 C ATOM 282 CG GLU A 49 32.235 -4.913 5.018 1.00 27.36 C ATOM 283 CD GLU A 49 33.714 -5.021 5.418 1.00 35.89 C ATOM 284 OE1 GLU A 49 34.013 -4.693 6.609 1.00 34.16 O ATOM 285 OE2 GLU A 49 34.597 -5.281 4.553 1.00 50.93 O ATOM 286 H GLU A 49 30.574 -4.227 2.839 1.00 0.00 H ATOM 287 N GLN A 50 30.439 -0.933 3.564 1.00 13.64 N ATOM 288 CA GLN A 50 30.441 0.453 3.487 1.00 11.80 C ATOM 289 C GLN A 50 29.189 1.086 2.752 1.00 9.57 C ATOM 290 O GLN A 50 29.215 2.274 2.489 1.00 11.01 O ATOM 291 CB GLN A 50 31.723 1.017 2.905 1.00 14.08 C ATOM 292 CG GLN A 50 32.071 2.461 3.313 1.00 14.77 C ATOM 293 CD GLN A 50 33.469 2.874 2.923 1.00 18.37 C ATOM 294 OE1 GLN A 50 34.270 2.012 2.445 1.00 27.15 O ATOM 295 NE2 GLN A 50 33.763 4.166 2.992 1.00 16.27 N ATOM 296 HE22 GLN A 50 33.075 4.835 3.392 1.00 0.00 H ATOM 297 HE21 GLN A 50 34.682 4.509 2.646 1.00 0.00 H ATOM 298 H GLN A 50 30.462 -1.476 2.677 1.00 0.00 H ATOM 299 N TRP A 51 28.181 0.277 2.459 1.00 9.45 N ATOM 300 CA TRP A 51 27.121 0.714 1.646 1.00 10.00 C ATOM 301 C TRP A 51 25.746 0.313 2.177 1.00 8.38 C ATOM 302 O TRP A 51 25.530 -0.827 2.505 1.00 9.81 O ATOM 303 CB TRP A 51 27.261 0.133 0.198 1.00 9.94 C ATOM 304 CG TRP A 51 28.442 0.703 -0.501 1.00 11.13 C ATOM 305 CD1 TRP A 51 29.684 0.151 -0.538 1.00 13.04 C ATOM 306 CD2 TRP A 51 28.432 1.837 -1.371 1.00 12.54 C ATOM 307 NE1 TRP A 51 30.468 0.950 -1.388 1.00 14.37 N ATOM 308 CE2 TRP A 51 29.694 1.927 -1.940 1.00 13.25 C ATOM 309 CE3 TRP A 51 27.436 2.746 -1.785 1.00 11.69 C ATOM 310 CZ2 TRP A 51 29.999 2.941 -2.872 1.00 14.07 C ATOM 311 CZ3 TRP A 51 27.761 3.753 -2.710 1.00 12.84 C ATOM 312 CH2 TRP A 51 29.028 3.787 -3.239 1.00 13.49 C ATOM 313 HE1 TRP A 51 31.483 0.816 -1.568 1.00 0.00 H ATOM 314 H TRP A 51 28.174 -0.693 2.835 1.00 0.00 H ATOM 315 N VAL A 52 24.846 1.309 2.154 1.00 8.59 N ATOM 316 CA VAL A 52 23.480 1.116 2.545 1.00 9.35 C ATOM 317 C VAL A 52 22.573 1.360 1.314 1.00 8.00 C ATOM 318 O VAL A 52 22.715 2.428 0.667 1.00 8.72 O ATOM 319 CB VAL A 52 23.065 2.030 3.700 1.00 8.78 C ATOM 320 CG1 VAL A 52 21.626 2.087 3.898 1.00 9.80 C ATOM 321 CG2 VAL A 52 23.870 1.581 4.949 1.00 9.98 C ATOM 322 H VAL A 52 25.150 2.253 1.842 1.00 0.00 H ATOM 323 N LEU A 53 21.661 0.471 1.076 1.00 7.81 N ATOM 324 CA LEU A 53 20.665 0.565 -0.047 1.00 8.04 C ATOM 325 C LEU A 53 19.378 1.150 0.496 1.00 8.28 C ATOM 326 O LEU A 53 18.895 0.711 1.581 1.00 8.69 O ATOM 327 CB LEU A 53 20.464 -0.759 -0.606 1.00 8.49 C ATOM 328 CG LEU A 53 19.530 -0.885 -1.837 1.00 8.96 C ATOM 329 CD1 LEU A 53 20.060 -0.115 -3.047 1.00 9.72 C ATOM 330 CD2 LEU A 53 19.304 -2.277 -2.208 1.00 10.76 C ATOM 331 H LEU A 53 21.615 -0.359 1.700 1.00 0.00 H ATOM 332 N SER A 54 18.775 2.091 -0.171 1.00 8.21 N ATOM 333 CA SER A 54 17.491 2.720 0.190 1.00 7.94 C ATOM 334 C SER A 54 16.763 3.131 -1.078 1.00 7.39 C ATOM 335 O SER A 54 17.036 2.529 -2.152 1.00 9.33 O ATOM 336 CB SER A 54 17.811 3.884 1.147 1.00 9.38 C ATOM 337 OG SER A 54 16.678 4.508 1.680 1.00 9.48 O ATOM 338 HG SER A 54 16.147 3.846 2.190 1.00 0.00 H ATOM 339 H SER A 54 19.241 2.430 -1.037 1.00 0.00 H ATOM 340 N ALA A 55 15.841 4.059 -1.023 1.00 8.61 N ATOM 341 CA ALA A 55 15.019 4.456 -2.201 1.00 8.66 C ATOM 342 C ALA A 55 15.390 5.814 -2.623 1.00 10.58 C ATOM 343 O ALA A 55 15.756 6.721 -1.848 1.00 10.46 O ATOM 344 CB ALA A 55 13.568 4.359 -1.827 1.00 10.73 C ATOM 345 H ALA A 55 15.675 4.541 -0.116 1.00 0.00 H ATOM 346 N ALA A 56 15.320 6.050 -3.964 1.00 11.98 N ATOM 347 CA ALA A 56 15.781 7.302 -4.550 1.00 12.30 C ATOM 348 C ALA A 56 15.111 8.544 -4.158 1.00 12.28 C ATOM 349 O ALA A 56 15.762 9.567 -4.052 1.00 21.66 O ATOM 350 CB ALA A 56 15.738 7.160 -6.069 1.00 13.81 C ATOM 351 H ALA A 56 14.926 5.316 -4.586 1.00 0.00 H ATOM 352 N HIS A 57 13.828 8.494 -3.876 1.00 11.86 N ATOM 353 CA HIS A 57 13.149 9.731 -3.460 1.00 12.94 C ATOM 354 C HIS A 57 13.436 10.172 -2.018 1.00 11.65 C ATOM 355 O HIS A 57 13.037 11.242 -1.633 1.00 13.85 O ATOM 356 CB HIS A 57 11.639 9.674 -3.713 1.00 17.36 C ATOM 357 CG HIS A 57 11.277 9.485 -5.130 1.00 22.78 C ATOM 358 ND1 HIS A 57 11.437 8.293 -5.790 1.00 37.29 N ATOM 359 CD2 HIS A 57 10.744 10.331 -6.023 1.00 28.41 C ATOM 360 CE1 HIS A 57 11.026 8.415 -7.039 1.00 44.61 C ATOM 361 NE2 HIS A 57 10.538 9.617 -7.181 1.00 37.56 N ATOM 362 H HIS A 57 13.304 7.598 -3.946 1.00 0.00 H ATOM 363 N CYS A 58 14.158 9.350 -1.298 1.00 11.34 N ATOM 364 CA CYS A 58 14.419 9.683 0.113 1.00 12.18 C ATOM 365 C CYS A 58 15.222 10.924 0.278 1.00 14.71 C ATOM 366 O CYS A 58 15.053 11.627 1.323 1.00 19.49 O ATOM 367 CB CYS A 58 15.139 8.506 0.725 1.00 12.64 C ATOM 368 SG CYS A 58 14.054 7.074 1.008 1.00 13.83 S ATOM 369 H CYS A 58 14.540 8.477 -1.715 1.00 0.00 H ATOM 370 N LEU A 59 16.057 11.305 -0.677 1.00 15.46 N ATOM 371 CA LEU A 59 16.829 12.519 -0.476 1.00 23.42 C ATOM 372 C LEU A 59 16.233 13.695 -1.183 1.00 23.94 C ATOM 373 O LEU A 59 16.908 14.710 -1.376 1.00 26.40 O ATOM 374 CB LEU A 59 18.334 12.341 -0.675 1.00 24.27 C ATOM 375 CG LEU A 59 18.888 11.233 0.200 1.00 19.17 C ATOM 376 CD1 LEU A 59 20.387 11.273 -0.125 1.00 21.43 C ATOM 377 CD2 LEU A 59 18.624 11.308 1.692 1.00 26.44 C ATOM 378 H LEU A 59 16.158 10.748 -1.550 1.00 0.00 H ATOM 379 N GLU A 60 14.947 13.632 -1.451 1.00 24.37 N ATOM 380 CA GLU A 60 14.270 14.758 -2.160 1.00 30.59 C ATOM 381 C GLU A 60 14.420 16.087 -1.446 1.00 30.43 C ATOM 382 O GLU A 60 14.491 17.170 -2.061 1.00 37.64 O ATOM 383 CB GLU A 60 12.747 14.436 -2.389 1.00 35.02 C ATOM 384 CG GLU A 60 11.905 14.165 -1.079 1.00 35.99 C ATOM 385 CD GLU A 60 10.453 13.639 -1.314 1.00 37.52 C ATOM 386 OE1 GLU A 60 10.147 12.828 -2.307 1.00 30.32 O ATOM 387 OE2 GLU A 60 9.563 14.021 -0.496 1.00 41.01 O ATOM 388 H GLU A 60 14.399 12.794 -1.168 1.00 0.00 H ATOM 389 N ASP A 61 14.395 16.041 -0.124 1.00 33.99 N ATOM 390 CA ASP A 61 14.244 17.282 0.674 1.00 39.69 C ATOM 391 C ASP A 61 15.597 17.564 1.403 1.00 38.97 C ATOM 392 O ASP A 61 15.664 18.365 2.380 1.00 31.33 O ATOM 393 CB ASP A 61 13.009 17.117 1.595 1.00 46.13 C ATOM 394 CG ASP A 61 12.673 18.336 2.360 1.00 65.60 C ATOM 395 OD1 ASP A 61 11.950 19.221 1.793 1.00 70.83 O ATOM 396 OD2 ASP A 61 13.111 18.343 3.561 1.00 64.69 O ATOM 397 H ASP A 61 14.482 15.125 0.361 1.00 0.00 H ATOM 398 N ALA A 61A 16.700 16.922 0.939 1.00 31.91 N ATOM 399 CA ALA A 61A 17.934 16.791 1.698 1.00 31.96 C ATOM 400 C ALA A 61A 19.025 17.806 1.339 1.00 31.44 C ATOM 401 O ALA A 61A 20.118 17.806 1.948 1.00 31.38 O ATOM 402 CB ALA A 61A 18.466 15.386 1.470 1.00 35.26 C ATOM 403 H ALA A 61A 16.660 16.501 -0.011 1.00 0.00 H ATOM 404 N ALA A 61B 18.792 18.657 0.372 1.00 33.57 N ATOM 405 CA ALA A 61B 19.962 19.380 -0.295 1.00 38.59 C ATOM 406 C ALA A 61B 20.700 20.303 0.670 1.00 35.26 C ATOM 407 O ALA A 61B 21.915 20.581 0.643 1.00 32.46 O ATOM 408 CB ALA A 61B 19.416 20.206 -1.434 1.00 48.45 C ATOM 409 H ALA A 61B 17.817 18.840 0.060 1.00 0.00 H ATOM 410 N ASP A 61C 19.910 20.840 1.591 1.00 44.05 N ATOM 411 CA ASP A 61C 20.450 21.821 2.543 1.00 31.52 C ATOM 412 C ASP A 61C 20.641 21.275 3.910 1.00 25.96 C ATOM 413 O ASP A 61C 20.750 22.044 4.876 1.00 37.50 O ATOM 414 CB ASP A 61C 19.472 23.062 2.662 1.00 38.40 C ATOM 415 CG ASP A 61C 19.533 23.938 1.482 1.00 42.66 C ATOM 416 OD1 ASP A 61C 20.658 24.137 1.064 1.00 44.22 O ATOM 417 OD2 ASP A 61C 18.480 24.372 0.984 1.00 50.87 O ATOM 418 H ASP A 61C 18.908 20.566 1.639 1.00 0.00 H ATOM 419 N GLY A 62 20.727 19.969 4.015 1.00 32.15 N ATOM 420 CA GLY A 62 20.939 19.368 5.280 1.00 29.61 C ATOM 421 C GLY A 62 21.936 18.218 5.203 1.00 27.36 C ATOM 422 O GLY A 62 22.521 17.943 4.247 1.00 30.48 O ATOM 423 H GLY A 62 20.639 19.374 3.167 1.00 0.00 H ATOM 424 N LYS A 63 22.139 17.571 6.305 1.00 23.84 N ATOM 425 CA LYS A 63 23.102 16.542 6.387 1.00 21.82 C ATOM 426 C LYS A 63 22.409 15.179 6.446 1.00 17.61 C ATOM 427 O LYS A 63 21.523 14.895 7.296 1.00 15.99 O ATOM 428 CB LYS A 63 23.893 16.807 7.641 1.00 29.07 C ATOM 429 CG LYS A 63 25.146 15.925 7.715 1.00 33.99 C ATOM 430 CD LYS A 63 25.549 15.830 9.210 1.00 32.46 C ATOM 431 CE LYS A 63 27.008 15.564 9.562 1.00 35.80 C ATOM 432 NZ LYS A 63 27.290 14.468 8.594 1.00 43.24 N ATOM 433 HZ1 LYS A 63 26.651 13.669 8.781 1.00 0.00 H ATOM 434 HZ2 LYS A 63 27.139 14.815 7.625 1.00 0.00 H ATOM 435 HZ3 LYS A 63 28.277 14.157 8.702 1.00 0.00 H ATOM 436 H LYS A 63 21.581 17.814 7.148 1.00 0.00 H ATOM 437 N VAL A 64 22.768 14.347 5.517 1.00 17.67 N ATOM 438 CA VAL A 64 22.298 12.985 5.448 1.00 14.32 C ATOM 439 C VAL A 64 23.228 12.056 6.202 1.00 12.41 C ATOM 440 O VAL A 64 24.456 12.085 6.052 1.00 13.47 O ATOM 441 CB VAL A 64 22.246 12.499 3.997 1.00 17.05 C ATOM 442 CG1 VAL A 64 21.726 11.002 3.904 1.00 17.85 C ATOM 443 CG2 VAL A 64 21.419 13.462 3.206 1.00 20.27 C ATOM 444 H VAL A 64 23.428 14.679 4.785 1.00 0.00 H ATOM 445 N GLN A 65 22.641 11.240 7.108 1.00 10.96 N ATOM 446 CA GLN A 65 23.335 10.306 7.890 1.00 10.02 C ATOM 447 C GLN A 65 22.643 8.990 7.938 1.00 10.19 C ATOM 448 O GLN A 65 21.476 8.877 7.574 1.00 11.88 O ATOM 449 CB GLN A 65 23.600 10.810 9.350 1.00 12.11 C ATOM 450 CG GLN A 65 24.431 12.047 9.371 1.00 13.54 C ATOM 451 CD GLN A 65 24.466 12.728 10.746 1.00 13.20 C ATOM 452 OE1 GLN A 65 23.381 13.060 11.252 1.00 18.23 O ATOM 453 NE2 GLN A 65 25.579 12.822 11.395 1.00 16.85 N ATOM 454 HE22 GLN A 65 26.471 12.536 10.943 1.00 0.00 H ATOM 455 HE21 GLN A 65 25.583 13.184 12.370 1.00 0.00 H ATOM 456 H GLN A 65 21.611 11.310 7.232 1.00 0.00 H ATOM 457 N VAL A 66 23.334 7.931 8.347 1.00 10.06 N ATOM 458 CA VAL A 66 22.733 6.595 8.445 1.00 10.25 C ATOM 459 C VAL A 66 23.036 6.044 9.853 1.00 9.82 C ATOM 460 O VAL A 66 24.172 5.948 10.264 1.00 10.23 O ATOM 461 CB VAL A 66 23.320 5.664 7.395 1.00 10.10 C ATOM 462 CG1 VAL A 66 22.658 4.344 7.549 1.00 12.62 C ATOM 463 CG2 VAL A 66 23.073 6.163 5.989 1.00 12.12 C ATOM 464 H VAL A 66 24.334 8.053 8.606 1.00 0.00 H ATOM 465 N LEU A 67 21.920 5.638 10.513 1.00 9.27 N ATOM 466 CA LEU A 67 22.021 5.085 11.848 1.00 10.21 C ATOM 467 C LEU A 67 22.008 3.569 11.738 1.00 9.87 C ATOM 468 O LEU A 67 20.988 3.038 11.239 1.00 9.60 O ATOM 469 CB LEU A 67 20.866 5.586 12.621 1.00 9.92 C ATOM 470 CG LEU A 67 20.862 5.077 14.160 1.00 11.16 C ATOM 471 CD1 LEU A 67 21.971 5.678 14.923 1.00 16.26 C ATOM 472 CD2 LEU A 67 19.499 5.502 14.776 1.00 13.20 C ATOM 473 H LEU A 67 20.989 5.725 10.058 1.00 0.00 H ATOM 474 N LEU A 68 23.069 2.935 12.169 1.00 10.22 N ATOM 475 CA LEU A 68 23.147 1.505 12.181 1.00 10.03 C ATOM 476 C LEU A 68 23.135 0.995 13.649 1.00 10.66 C ATOM 477 O LEU A 68 23.464 1.754 14.586 1.00 12.25 O ATOM 478 CB LEU A 68 24.435 0.962 11.520 1.00 10.31 C ATOM 479 CG LEU A 68 24.521 1.307 9.993 1.00 10.71 C ATOM 480 CD1 LEU A 68 25.848 0.760 9.475 1.00 11.46 C ATOM 481 CD2 LEU A 68 23.415 0.756 9.241 1.00 12.05 C ATOM 482 H LEU A 68 23.880 3.487 12.513 1.00 0.00 H ATOM 483 N GLY A 69 22.782 -0.269 13.780 1.00 10.28 N ATOM 484 CA GLY A 69 22.857 -0.873 15.138 1.00 10.57 C ATOM 485 C GLY A 69 21.735 -0.464 16.022 1.00 10.96 C ATOM 486 O GLY A 69 21.840 -0.738 17.255 1.00 13.91 O ATOM 487 H GLY A 69 22.462 -0.825 12.962 1.00 0.00 H ATOM 488 N ALA A 70 20.675 0.115 15.587 1.00 11.26 N ATOM 489 CA ALA A 70 19.661 0.742 16.372 1.00 11.34 C ATOM 490 C ALA A 70 18.444 -0.105 16.577 1.00 10.95 C ATOM 491 O ALA A 70 17.989 -0.913 15.716 1.00 11.68 O ATOM 492 CB ALA A 70 19.264 2.044 15.844 1.00 12.76 C ATOM 493 H ALA A 70 20.541 0.129 14.556 1.00 0.00 H ATOM 494 N HIS A 71 17.833 0.123 17.730 1.00 12.13 N ATOM 495 CA HIS A 71 16.468 -0.288 17.980 1.00 12.79 C ATOM 496 C HIS A 71 15.634 0.940 18.216 1.00 12.32 C ATOM 497 O HIS A 71 14.683 1.197 17.498 1.00 13.29 O ATOM 498 CB HIS A 71 16.384 -1.312 19.124 1.00 13.19 C ATOM 499 CG HIS A 71 15.014 -1.860 19.202 1.00 13.81 C ATOM 500 ND1 HIS A 71 14.418 -2.534 18.124 1.00 13.77 N ATOM 501 CD2 HIS A 71 14.174 -1.891 20.241 1.00 15.53 C ATOM 502 CE1 HIS A 71 13.210 -2.899 18.540 1.00 16.44 C ATOM 503 NE2 HIS A 71 13.021 -2.500 19.816 1.00 17.51 N ATOM 504 H HIS A 71 18.354 0.616 18.484 1.00 0.00 H ATOM 505 N SER A 72 15.903 1.649 19.300 1.00 12.93 N ATOM 506 CA SER A 72 15.348 2.965 19.521 1.00 11.63 C ATOM 507 C SER A 72 16.097 4.053 18.743 1.00 12.27 C ATOM 508 O SER A 72 17.315 4.109 18.718 1.00 13.44 O ATOM 509 CB SER A 72 15.507 3.288 21.013 1.00 12.14 C ATOM 510 OG SER A 72 15.182 4.615 21.333 1.00 13.69 O ATOM 511 HG SER A 72 14.239 4.791 21.089 1.00 0.00 H ATOM 512 H SER A 72 16.537 1.245 20.019 1.00 0.00 H ATOM 513 N LEU A 73 15.339 4.981 18.202 1.00 12.15 N ATOM 514 CA LEU A 73 15.936 6.079 17.551 1.00 13.79 C ATOM 515 C LEU A 73 16.570 7.076 18.538 1.00 14.13 C ATOM 516 O LEU A 73 17.502 7.793 18.177 1.00 15.96 O ATOM 517 CB LEU A 73 14.940 6.815 16.673 1.00 13.11 C ATOM 518 CG LEU A 73 14.350 6.055 15.523 1.00 12.31 C ATOM 519 CD1 LEU A 73 13.213 6.850 14.912 1.00 15.84 C ATOM 520 CD2 LEU A 73 15.420 5.714 14.473 1.00 13.85 C ATOM 521 H LEU A 73 14.303 4.905 18.254 1.00 0.00 H ATOM 522 N SER A 74 16.057 7.134 19.758 1.00 16.06 N ATOM 523 CA SER A 74 16.478 8.194 20.728 1.00 14.65 C ATOM 524 C SER A 74 17.379 7.747 21.816 1.00 14.23 C ATOM 525 O SER A 74 18.094 8.572 22.348 1.00 16.34 O ATOM 526 CB SER A 74 15.267 8.901 21.271 1.00 15.98 C ATOM 527 OG SER A 74 14.478 7.987 22.029 1.00 14.91 O ATOM 528 HG SER A 74 14.190 7.240 21.447 1.00 0.00 H ATOM 529 H SER A 74 15.348 6.430 20.047 1.00 0.00 H ATOM 530 N GLN A 75 17.315 6.479 22.227 1.00 14.04 N ATOM 531 CA GLN A 75 17.989 6.032 23.488 1.00 14.64 C ATOM 532 C GLN A 75 19.379 5.551 23.205 1.00 15.28 C ATOM 533 O GLN A 75 19.590 4.939 22.117 1.00 16.45 O ATOM 534 CB GLN A 75 17.131 4.933 24.140 1.00 14.37 C ATOM 535 CG GLN A 75 15.770 5.392 24.571 1.00 15.28 C ATOM 536 CD GLN A 75 15.025 4.468 25.501 1.00 14.59 C ATOM 537 OE1 GLN A 75 14.112 4.948 26.279 1.00 14.57 O ATOM 538 NE2 GLN A 75 15.299 3.171 25.421 1.00 16.02 N ATOM 539 HE22 GLN A 75 16.045 2.836 24.778 1.00 0.00 H ATOM 540 HE21 GLN A 75 14.768 2.491 26.001 1.00 0.00 H ATOM 541 H GLN A 75 16.786 5.786 21.660 1.00 0.00 H ATOM 542 N PRO A 76 20.276 5.634 24.139 1.00 17.88 N ATOM 543 CA PRO A 76 21.601 5.079 23.952 1.00 20.02 C ATOM 544 C PRO A 76 21.583 3.537 23.942 1.00 19.47 C ATOM 545 O PRO A 76 20.883 2.870 24.785 1.00 18.25 O ATOM 546 CB PRO A 76 22.348 5.648 25.237 1.00 25.03 C ATOM 547 CG PRO A 76 21.261 5.707 26.231 1.00 26.34 C ATOM 548 CD PRO A 76 20.084 6.216 25.538 1.00 19.64 C ATOM 549 N GLU A 77 22.339 2.957 23.034 1.00 17.09 N ATOM 550 CA GLU A 77 22.510 1.504 22.868 1.00 15.21 C ATOM 551 C GLU A 77 23.978 1.272 22.505 1.00 15.75 C ATOM 552 O GLU A 77 24.418 1.970 21.643 1.00 16.42 O ATOM 553 CB GLU A 77 21.551 0.967 21.827 1.00 15.72 C ATOM 554 CG GLU A 77 20.003 1.347 22.070 1.00 17.09 C ATOM 555 CD GLU A 77 19.080 1.053 20.951 1.00 16.30 C ATOM 556 OE1 GLU A 77 19.527 0.821 19.825 1.00 17.60 O ATOM 557 OE2 GLU A 77 17.864 0.923 21.153 1.00 15.57 O ATOM 558 H GLU A 77 22.859 3.576 22.380 1.00 0.00 H ATOM 559 N PRO A 78 24.714 0.290 23.060 1.00 18.94 N ATOM 560 CA PRO A 78 26.098 0.128 22.718 1.00 18.84 C ATOM 561 C PRO A 78 26.409 -0.034 21.236 1.00 16.64 C ATOM 562 O PRO A 78 27.427 0.407 20.847 1.00 18.22 O ATOM 563 CB PRO A 78 26.516 -1.132 23.451 1.00 23.71 C ATOM 564 CG PRO A 78 25.547 -1.324 24.588 1.00 26.44 C ATOM 565 CD PRO A 78 24.257 -0.594 24.190 1.00 21.33 C ATOM 566 N SER A 79 25.567 -0.710 20.502 1.00 17.45 N ATOM 567 CA SER A 79 25.801 -0.943 19.094 1.00 15.65 C ATOM 568 C SER A 79 25.355 0.191 18.229 1.00 15.34 C ATOM 569 O SER A 79 25.587 0.141 16.976 1.00 16.33 O ATOM 570 CB SER A 79 25.065 -2.235 18.720 1.00 18.50 C ATOM 571 OG SER A 79 23.667 -2.086 18.884 1.00 17.81 O ATOM 572 HG SER A 79 23.344 -1.355 18.300 1.00 0.00 H ATOM 573 H SER A 79 24.705 -1.091 20.942 1.00 0.00 H ATOM 574 N LYS A 80 24.673 1.210 18.678 1.00 14.52 N ATOM 575 CA LYS A 80 24.170 2.300 17.808 1.00 15.99 C ATOM 576 C LYS A 80 25.315 3.164 17.383 1.00 16.00 C ATOM 577 O LYS A 80 26.127 3.641 18.173 1.00 20.18 O ATOM 578 CB LYS A 80 23.257 3.278 18.602 1.00 20.59 C ATOM 579 CG LYS A 80 21.933 3.002 18.374 1.00 20.03 C ATOM 580 CD LYS A 80 20.857 3.781 19.119 1.00 18.42 C ATOM 581 CE LYS A 80 20.700 5.271 18.811 1.00 19.24 C ATOM 582 NZ LYS A 80 19.480 5.802 19.440 1.00 16.78 N ATOM 583 HZ1 LYS A 80 18.652 5.292 19.073 1.00 0.00 H ATOM 584 HZ2 LYS A 80 19.539 5.674 20.470 1.00 0.00 H ATOM 585 HZ3 LYS A 80 19.390 6.814 19.220 1.00 0.00 H ATOM 586 H LYS A 80 24.473 1.259 19.697 1.00 0.00 H ATOM 587 N ARG A 81 25.355 3.465 16.086 1.00 14.41 N ATOM 588 CA ARG A 81 26.377 4.403 15.560 1.00 15.21 C ATOM 589 C ARG A 81 25.757 5.100 14.392 1.00 12.78 C ATOM 590 O ARG A 81 25.170 4.478 13.487 1.00 14.59 O ATOM 591 CB ARG A 81 27.643 3.733 15.128 1.00 17.13 C ATOM 592 CG ARG A 81 28.610 4.834 14.807 1.00 25.58 C ATOM 593 CD ARG A 81 29.997 4.328 14.618 1.00 28.89 C ATOM 594 NE ARG A 81 30.828 5.276 13.797 1.00 31.98 N ATOM 595 CZ ARG A 81 31.967 4.963 13.182 1.00 31.62 C ATOM 596 NH1 ARG A 81 32.465 3.795 13.370 1.00 33.68 N ATOM 597 NH2 ARG A 81 32.606 5.891 12.425 1.00 39.85 N ATOM 598 HE ARG A 81 30.486 6.253 13.702 1.00 0.00 H ATOM 599 HH12 ARG A 81 33.354 3.527 12.901 1.00 0.00 H ATOM 600 HH11 ARG A 81 31.980 3.117 13.992 1.00 0.00 H ATOM 601 HH22 ARG A 81 33.496 5.647 11.944 1.00 0.00 H ATOM 602 HH21 ARG A 81 32.206 6.846 12.326 1.00 0.00 H ATOM 603 H ARG A 81 24.664 3.039 15.436 1.00 0.00 H ATOM 604 N LEU A 82 25.876 6.423 14.384 1.00 15.56 N ATOM 605 CA LEU A 82 25.406 7.280 13.328 1.00 14.93 C ATOM 606 C LEU A 82 26.598 7.581 12.439 1.00 15.95 C ATOM 607 O LEU A 82 27.623 8.177 12.851 1.00 21.03 O ATOM 608 CB LEU A 82 24.832 8.579 14.026 1.00 14.98 C ATOM 609 CG LEU A 82 24.198 9.616 13.092 1.00 16.87 C ATOM 610 CD1 LEU A 82 22.930 8.973 12.513 1.00 14.88 C ATOM 611 CD2 LEU A 82 23.879 10.820 13.945 1.00 19.30 C ATOM 612 H LEU A 82 26.342 6.871 15.199 1.00 0.00 H ATOM 613 N TYR A 83 26.482 7.110 11.217 1.00 12.75 N ATOM 614 CA TYR A 83 27.533 7.350 10.223 1.00 12.31 C ATOM 615 C TYR A 83 27.188 8.545 9.316 1.00 10.57 C ATOM 616 O TYR A 83 26.028 8.717 8.857 1.00 12.41 O ATOM 617 CB TYR A 83 27.636 6.120 9.362 1.00 13.61 C ATOM 618 CG TYR A 83 28.248 4.950 10.064 1.00 12.53 C ATOM 619 CD1 TYR A 83 27.485 4.075 10.811 1.00 13.01 C ATOM 620 CD2 TYR A 83 29.587 4.659 9.988 1.00 13.93 C ATOM 621 CE1 TYR A 83 28.046 3.044 11.507 1.00 14.64 C ATOM 622 CE2 TYR A 83 30.150 3.575 10.646 1.00 15.11 C ATOM 623 CZ TYR A 83 29.377 2.778 11.465 1.00 15.05 C ATOM 624 OH TYR A 83 30.011 1.748 12.197 1.00 17.57 O ATOM 625 HH TYR A 83 29.336 1.264 12.736 1.00 0.00 H ATOM 626 H TYR A 83 25.638 6.563 10.953 1.00 0.00 H ATOM 627 N ASP A 84 28.214 9.298 9.000 1.00 12.37 N ATOM 628 CA ASP A 84 28.138 10.272 7.914 1.00 13.29 C ATOM 629 C ASP A 84 28.209 9.523 6.580 1.00 11.98 C ATOM 630 O ASP A 84 28.590 8.386 6.492 1.00 13.55 O ATOM 631 CB ASP A 84 29.259 11.293 8.040 1.00 16.16 C ATOM 632 CG ASP A 84 29.135 12.079 9.361 1.00 20.51 C ATOM 633 OD1 ASP A 84 28.059 12.546 9.612 1.00 28.39 O ATOM 634 OD2 ASP A 84 30.147 12.221 10.013 1.00 27.89 O ATOM 635 H ASP A 84 29.101 9.200 9.534 1.00 0.00 H ATOM 636 N VAL A 85 27.683 10.256 5.594 1.00 14.18 N ATOM 637 CA VAL A 85 27.639 9.709 4.217 1.00 12.50 C ATOM 638 C VAL A 85 28.634 10.454 3.328 1.00 11.63 C ATOM 639 O VAL A 85 28.621 11.665 3.161 1.00 14.67 O ATOM 640 CB VAL A 85 26.230 9.850 3.703 1.00 13.84 C ATOM 641 CG1 VAL A 85 26.155 9.551 2.207 1.00 13.76 C ATOM 642 CG2 VAL A 85 25.269 8.853 4.413 1.00 15.99 C ATOM 643 H VAL A 85 27.307 11.205 5.792 1.00 0.00 H ATOM 644 N LEU A 86 29.527 9.642 2.720 1.00 13.67 N ATOM 645 CA LEU A 86 30.564 10.232 1.812 1.00 13.82 C ATOM 646 C LEU A 86 29.948 10.605 0.460 1.00 15.15 C ATOM 647 O LEU A 86 30.229 11.673 -0.091 1.00 17.99 O ATOM 648 CB LEU A 86 31.623 9.160 1.595 1.00 17.77 C ATOM 649 CG LEU A 86 32.951 9.392 1.022 1.00 22.20 C ATOM 650 CD1 LEU A 86 33.627 10.642 1.544 1.00 23.08 C ATOM 651 CD2 LEU A 86 33.748 8.127 1.413 1.00 28.77 C ATOM 652 H LEU A 86 29.495 8.615 2.881 1.00 0.00 H ATOM 653 N ARG A 87 29.065 9.731 -0.031 1.00 14.97 N ATOM 654 CA ARG A 87 28.441 9.833 -1.332 1.00 15.41 C ATOM 655 C ARG A 87 27.077 9.284 -1.338 1.00 13.20 C ATOM 656 O ARG A 87 26.906 8.188 -0.846 1.00 13.19 O ATOM 657 CB ARG A 87 29.227 8.967 -2.420 1.00 22.59 C ATOM 658 CG ARG A 87 30.027 9.761 -3.218 1.00 37.32 C ATOM 659 CD ARG A 87 30.150 9.074 -4.533 1.00 36.79 C ATOM 660 NE ARG A 87 30.867 7.800 -4.321 1.00 35.42 N ATOM 661 CZ ARG A 87 30.898 6.775 -5.206 1.00 33.78 C ATOM 662 NH1 ARG A 87 30.122 6.739 -6.366 1.00 26.44 N ATOM 663 NH2 ARG A 87 31.681 5.714 -4.854 1.00 31.44 N ATOM 664 HE ARG A 87 31.386 7.681 -3.427 1.00 0.00 H ATOM 665 HH12 ARG A 87 30.187 5.925 -7.010 1.00 0.00 H ATOM 666 HH11 ARG A 87 29.479 7.526 -6.586 1.00 0.00 H ATOM 667 HH22 ARG A 87 31.754 4.890 -5.484 1.00 0.00 H ATOM 668 HH21 ARG A 87 32.205 5.730 -3.956 1.00 0.00 H ATOM 669 H ARG A 87 28.808 8.919 0.565 1.00 0.00 H ATOM 670 N ALA A 88 26.135 9.982 -1.966 1.00 12.70 N ATOM 671 CA ALA A 88 24.793 9.456 -2.218 1.00 12.07 C ATOM 672 C ALA A 88 24.595 9.280 -3.727 1.00 12.19 C ATOM 673 O ALA A 88 24.887 10.173 -4.469 1.00 15.70 O ATOM 674 CB ALA A 88 23.755 10.407 -1.735 1.00 12.87 C ATOM 675 H ALA A 88 26.362 10.943 -2.292 1.00 0.00 H ATOM 676 N VAL A 89 24.190 8.096 -4.117 1.00 10.78 N ATOM 677 CA VAL A 89 24.125 7.688 -5.513 1.00 10.41 C ATOM 678 C VAL A 89 22.701 7.195 -5.824 1.00 9.59 C ATOM 679 O VAL A 89 22.366 6.020 -5.687 1.00 10.12 O ATOM 680 CB VAL A 89 25.129 6.569 -5.819 1.00 11.62 C ATOM 681 CG1 VAL A 89 25.187 6.320 -7.353 1.00 13.23 C ATOM 682 CG2 VAL A 89 26.546 6.906 -5.294 1.00 13.05 C ATOM 683 H VAL A 89 23.899 7.411 -3.390 1.00 0.00 H ATOM 684 N PRO A 90 21.812 8.149 -6.182 1.00 11.33 N ATOM 685 CA PRO A 90 20.535 7.754 -6.675 1.00 10.89 C ATOM 686 C PRO A 90 20.629 7.035 -8.027 1.00 10.74 C ATOM 687 O PRO A 90 21.519 7.333 -8.802 1.00 11.95 O ATOM 688 CB PRO A 90 19.749 9.057 -6.812 1.00 12.97 C ATOM 689 CG PRO A 90 20.767 10.077 -7.071 1.00 14.95 C ATOM 690 CD PRO A 90 22.010 9.593 -6.279 1.00 13.27 C ATOM 691 N HIS A 91 19.707 6.126 -8.255 1.00 10.28 N ATOM 692 CA HIS A 91 19.763 5.469 -9.598 1.00 10.11 C ATOM 693 C HIS A 91 19.594 6.525 -10.698 1.00 12.30 C ATOM 694 O HIS A 91 18.720 7.374 -10.630 1.00 12.08 O ATOM 695 CB HIS A 91 18.622 4.460 -9.729 1.00 11.26 C ATOM 696 CG HIS A 91 18.726 3.550 -10.909 1.00 10.08 C ATOM 697 ND1 HIS A 91 18.542 3.992 -12.204 1.00 12.20 N ATOM 698 CD2 HIS A 91 19.130 2.289 -10.992 1.00 10.53 C ATOM 699 CE1 HIS A 91 18.882 3.000 -12.982 1.00 13.49 C ATOM 700 NE2 HIS A 91 19.183 1.933 -12.319 1.00 12.39 N ATOM 701 H HIS A 91 18.985 5.880 -7.548 1.00 0.00 H ATOM 702 N PRO A 92 20.486 6.486 -11.736 1.00 13.33 N ATOM 703 CA PRO A 92 20.479 7.565 -12.738 1.00 13.90 C ATOM 704 C PRO A 92 19.233 7.624 -13.591 1.00 13.10 C ATOM 705 O PRO A 92 19.040 8.636 -14.243 1.00 15.92 O ATOM 706 CB PRO A 92 21.734 7.274 -13.546 1.00 20.01 C ATOM 707 CG PRO A 92 22.105 5.976 -13.292 1.00 16.46 C ATOM 708 CD PRO A 92 21.604 5.542 -11.937 1.00 13.83 C ATOM 709 N ASP A 93 18.410 6.589 -13.640 1.00 12.50 N ATOM 710 CA ASP A 93 17.162 6.611 -14.392 1.00 13.64 C ATOM 711 C ASP A 93 15.967 6.996 -13.609 1.00 13.72 C ATOM 712 O ASP A 93 14.876 7.076 -14.088 1.00 17.20 O ATOM 713 CB ASP A 93 16.960 5.300 -15.118 1.00 13.73 C ATOM 714 CG ASP A 93 18.019 4.961 -16.159 1.00 13.63 C ATOM 715 OD1 ASP A 93 18.158 5.747 -17.112 1.00 15.79 O ATOM 716 OD2 ASP A 93 18.700 3.941 -16.038 1.00 17.80 O ATOM 717 H ASP A 93 18.664 5.725 -13.121 1.00 0.00 H ATOM 718 N SER A 94 16.133 7.209 -12.261 1.00 12.72 N ATOM 719 CA SER A 94 15.023 7.628 -11.399 1.00 13.87 C ATOM 720 C SER A 94 14.637 9.007 -11.725 1.00 16.10 C ATOM 721 O SER A 94 15.481 9.839 -12.221 1.00 17.36 O ATOM 722 CB SER A 94 15.380 7.480 -9.939 1.00 14.78 C ATOM 723 OG SER A 94 16.429 8.288 -9.541 1.00 15.21 O ATOM 724 HG SER A 94 17.236 8.062 -10.068 1.00 0.00 H ATOM 725 H SER A 94 17.074 7.069 -11.840 1.00 0.00 H ATOM 726 N GLN A 95 13.368 9.292 -11.481 1.00 19.34 N ATOM 727 CA GLN A 95 12.743 10.564 -11.756 1.00 19.57 C ATOM 728 C GLN A 95 11.814 10.969 -10.685 1.00 17.25 C ATOM 729 O GLN A 95 11.117 10.085 -10.150 1.00 18.47 O ATOM 730 CB GLN A 95 11.964 10.534 -13.106 1.00 22.71 C ATOM 731 CG GLN A 95 12.873 10.303 -14.301 1.00 28.04 C ATOM 732 CD GLN A 95 12.031 10.350 -15.576 1.00 26.67 C ATOM 733 OE1 GLN A 95 12.074 11.291 -16.272 1.00 53.00 O ATOM 734 NE2 GLN A 95 11.193 9.350 -15.776 1.00 35.54 N ATOM 735 HE22 GLN A 95 11.192 8.535 -15.130 1.00 0.00 H ATOM 736 HE21 GLN A 95 10.533 9.377 -16.580 1.00 0.00 H ATOM 737 H GLN A 95 12.778 8.546 -11.061 1.00 0.00 H ATOM 738 N PRO A 96 11.594 12.229 -10.485 1.00 21.70 N ATOM 739 CA PRO A 96 10.583 12.668 -9.459 1.00 24.40 C ATOM 740 C PRO A 96 9.260 12.206 -9.982 1.00 26.48 C ATOM 741 O PRO A 96 9.029 12.278 -11.178 1.00 38.85 O ATOM 742 CB PRO A 96 10.627 14.182 -9.536 1.00 28.25 C ATOM 743 CG PRO A 96 11.934 14.516 -10.091 1.00 31.11 C ATOM 744 CD PRO A 96 12.465 13.326 -10.898 1.00 27.45 C ATOM 745 N ASP A 97 8.318 11.760 -9.247 1.00 34.18 N ATOM 746 CA ASP A 97 7.020 11.574 -10.155 1.00 36.54 C ATOM 747 C ASP A 97 6.918 10.238 -10.860 1.00 31.36 C ATOM 748 O ASP A 97 5.860 9.949 -11.374 1.00 34.33 O ATOM 749 CB ASP A 97 6.634 12.698 -11.249 1.00 25.87 C ATOM 750 CG ASP A 97 6.209 14.013 -10.608 1.00 34.39 C ATOM 751 OD1 ASP A 97 6.153 14.057 -9.366 1.00 48.99 O ATOM 752 OD2 ASP A 97 5.959 15.001 -11.351 1.00 49.14 O ATOM 753 H ASP A 97 8.385 11.553 -8.230 1.00 0.00 H ATOM 754 N THR A 98 7.937 9.391 -10.792 1.00 24.05 N ATOM 755 CA THR A 98 7.724 8.027 -11.065 1.00 22.62 C ATOM 756 C THR A 98 8.226 7.162 -9.920 1.00 18.87 C ATOM 757 O THR A 98 9.017 7.602 -9.130 1.00 19.21 O ATOM 758 CB THR A 98 8.447 7.507 -12.360 1.00 22.70 C ATOM 759 OG1 THR A 98 9.782 7.278 -12.058 1.00 24.58 O ATOM 760 CG2 THR A 98 8.213 8.357 -13.679 1.00 26.22 C ATOM 761 HG1 THR A 98 9.845 6.599 -11.340 1.00 0.00 H ATOM 762 H THR A 98 8.886 9.733 -10.539 1.00 0.00 H ATOM 763 N ILE A 99 7.825 5.903 -9.809 1.00 21.40 N ATOM 764 CA ILE A 99 8.530 5.020 -8.796 1.00 20.76 C ATOM 765 C ILE A 99 9.362 3.992 -9.540 1.00 17.53 C ATOM 766 O ILE A 99 9.640 2.930 -8.951 1.00 17.46 O ATOM 767 CB ILE A 99 7.590 4.308 -7.798 1.00 21.86 C ATOM 768 CG1 ILE A 99 6.594 3.552 -8.643 1.00 22.73 C ATOM 769 CG2 ILE A 99 7.047 5.325 -6.756 1.00 27.80 C ATOM 770 CD1 ILE A 99 6.027 2.426 -7.799 1.00 31.25 C ATOM 771 H ILE A 99 7.052 5.532 -10.398 1.00 0.00 H ATOM 772 N ASP A 100 9.705 4.264 -10.866 1.00 17.92 N ATOM 773 CA ASP A 100 10.625 3.307 -11.527 1.00 15.86 C ATOM 774 C ASP A 100 12.059 3.563 -11.028 1.00 13.34 C ATOM 775 O ASP A 100 12.440 4.754 -10.790 1.00 16.10 O ATOM 776 CB ASP A 100 10.483 3.494 -13.035 1.00 18.11 C ATOM 777 CG ASP A 100 9.091 3.094 -13.519 1.00 22.90 C ATOM 778 OD1 ASP A 100 8.515 2.059 -13.154 1.00 23.99 O ATOM 779 OD2 ASP A 100 8.516 3.930 -14.143 1.00 28.87 O ATOM 780 H ASP A 100 9.333 5.097 -11.366 1.00 0.00 H ATOM 781 N HIS A 101 12.844 2.544 -11.020 1.00 12.66 N ATOM 782 CA HIS A 101 14.250 2.687 -10.694 1.00 12.18 C ATOM 783 C HIS A 101 14.513 3.398 -9.314 1.00 11.56 C ATOM 784 O HIS A 101 15.454 4.173 -9.174 1.00 11.56 O ATOM 785 CB HIS A 101 14.982 3.355 -11.832 1.00 12.75 C ATOM 786 CG HIS A 101 14.476 3.022 -13.175 1.00 14.68 C ATOM 787 ND1 HIS A 101 14.404 1.697 -13.580 1.00 18.03 N ATOM 788 CD2 HIS A 101 13.910 3.802 -14.164 1.00 16.59 C ATOM 789 CE1 HIS A 101 13.866 1.706 -14.823 1.00 21.47 C ATOM 790 NE2 HIS A 101 13.533 2.940 -15.159 1.00 20.29 N ATOM 791 H HIS A 101 12.465 1.603 -11.251 1.00 0.00 H ATOM 792 N ASP A 102 13.590 3.098 -8.340 1.00 11.71 N ATOM 793 CA ASP A 102 13.583 3.850 -7.123 1.00 10.82 C ATOM 794 C ASP A 102 14.575 3.334 -6.131 1.00 10.09 C ATOM 795 O ASP A 102 14.201 2.976 -4.990 1.00 11.18 O ATOM 796 CB ASP A 102 12.195 3.854 -6.575 1.00 12.04 C ATOM 797 CG ASP A 102 11.998 4.921 -5.465 1.00 13.09 C ATOM 798 OD1 ASP A 102 12.791 5.841 -5.323 1.00 14.52 O ATOM 799 OD2 ASP A 102 10.947 4.793 -4.774 1.00 16.16 O ATOM 800 H ASP A 102 12.903 2.331 -8.487 1.00 0.00 H ATOM 801 N LEU A 103 15.856 3.350 -6.420 1.00 8.93 N ATOM 802 CA LEU A 103 16.942 2.903 -5.585 1.00 8.77 C ATOM 803 C LEU A 103 17.948 3.983 -5.363 1.00 7.83 C ATOM 804 O LEU A 103 18.204 4.878 -6.214 1.00 9.32 O ATOM 805 CB LEU A 103 17.581 1.698 -6.155 1.00 9.58 C ATOM 806 CG LEU A 103 16.775 0.462 -6.334 1.00 10.03 C ATOM 807 CD1 LEU A 103 17.558 -0.674 -6.962 1.00 11.66 C ATOM 808 CD2 LEU A 103 16.213 -0.012 -4.993 1.00 9.27 C ATOM 809 H LEU A 103 16.115 3.727 -7.354 1.00 0.00 H ATOM 810 N LEU A 104 18.644 3.932 -4.190 1.00 8.36 N ATOM 811 CA LEU A 104 19.638 4.862 -3.728 1.00 8.80 C ATOM 812 C LEU A 104 20.738 4.073 -3.000 1.00 7.76 C ATOM 813 O LEU A 104 20.382 3.243 -2.123 1.00 9.19 O ATOM 814 CB LEU A 104 18.966 5.818 -2.665 1.00 11.17 C ATOM 815 CG LEU A 104 19.894 6.782 -1.918 1.00 10.62 C ATOM 816 CD1 LEU A 104 20.516 7.727 -2.884 1.00 10.61 C ATOM 817 CD2 LEU A 104 19.051 7.504 -0.938 1.00 11.82 C ATOM 818 H LEU A 104 18.432 3.132 -3.561 1.00 0.00 H ATOM 819 N LEU A 105 21.974 4.345 -3.313 1.00 8.33 N ATOM 820 CA LEU A 105 23.074 3.750 -2.598 1.00 8.01 C ATOM 821 C LEU A 105 23.812 4.825 -1.863 1.00 8.53 C ATOM 822 O LEU A 105 24.167 5.875 -2.419 1.00 10.24 O ATOM 823 CB LEU A 105 23.991 2.938 -3.505 1.00 8.24 C ATOM 824 CG LEU A 105 23.500 1.516 -3.714 1.00 8.93 C ATOM 825 CD1 LEU A 105 24.170 0.824 -4.892 1.00 9.53 C ATOM 826 CD2 LEU A 105 23.727 0.623 -2.479 1.00 10.02 C ATOM 827 H LEU A 105 22.170 5.004 -4.094 1.00 0.00 H ATOM 828 N LEU A 106 24.043 4.570 -0.550 1.00 9.01 N ATOM 829 CA LEU A 106 24.747 5.537 0.304 1.00 8.96 C ATOM 830 C LEU A 106 26.065 4.906 0.791 1.00 9.35 C ATOM 831 O LEU A 106 26.082 3.837 1.374 1.00 10.20 O ATOM 832 CB LEU A 106 23.883 5.879 1.542 1.00 9.54 C ATOM 833 CG LEU A 106 22.538 6.422 1.232 1.00 9.41 C ATOM 834 CD1 LEU A 106 21.669 6.425 2.496 1.00 13.31 C ATOM 835 CD2 LEU A 106 22.581 7.741 0.543 1.00 14.01 C ATOM 836 H LEU A 106 23.715 3.672 -0.140 1.00 0.00 H ATOM 837 N GLN A 107 27.167 5.603 0.443 1.00 9.25 N ATOM 838 CA GLN A 107 28.453 5.182 0.836 1.00 10.16 C ATOM 839 C GLN A 107 28.748 5.852 2.183 1.00 10.64 C ATOM 840 O GLN A 107 28.807 7.057 2.304 1.00 11.49 O ATOM 841 CB GLN A 107 29.549 5.594 -0.106 1.00 12.77 C ATOM 842 CG GLN A 107 30.903 4.970 0.182 1.00 13.60 C ATOM 843 CD GLN A 107 31.986 5.388 -0.767 1.00 18.54 C ATOM 844 OE1 GLN A 107 31.765 6.337 -1.530 1.00 23.43 O ATOM 845 NE2 GLN A 107 33.105 4.734 -0.743 1.00 25.50 N ATOM 846 HE22 GLN A 107 33.232 3.944 -0.078 1.00 0.00 H ATOM 847 HE21 GLN A 107 33.876 4.999 -1.388 1.00 0.00 H ATOM 848 H GLN A 107 27.065 6.467 -0.126 1.00 0.00 H ATOM 849 N LEU A 108 28.962 4.998 3.210 1.00 10.14 N ATOM 850 CA LEU A 108 29.288 5.507 4.565 1.00 10.32 C ATOM 851 C LEU A 108 30.634 6.081 4.578 1.00 11.53 C ATOM 852 O LEU A 108 31.519 5.726 3.799 1.00 12.09 O ATOM 853 CB LEU A 108 29.186 4.347 5.566 1.00 10.70 C ATOM 854 CG LEU A 108 27.864 3.629 5.566 1.00 12.03 C ATOM 855 CD1 LEU A 108 27.961 2.469 6.554 1.00 13.81 C ATOM 856 CD2 LEU A 108 26.656 4.510 5.773 1.00 14.51 C ATOM 857 H LEU A 108 28.897 3.973 3.048 1.00 0.00 H ATOM 858 N SER A 109 30.858 6.932 5.574 1.00 11.43 N ATOM 859 CA SER A 109 32.187 7.630 5.765 1.00 13.87 C ATOM 860 C SER A 109 33.356 6.662 5.939 1.00 13.72 C ATOM 861 O SER A 109 34.498 6.980 5.668 1.00 15.91 O ATOM 862 CB SER A 109 32.062 8.544 7.021 1.00 14.14 C ATOM 863 OG SER A 109 31.839 7.760 8.168 1.00 16.23 O ATOM 864 HG SER A 109 31.761 8.350 8.959 1.00 0.00 H ATOM 865 H SER A 109 30.090 7.126 6.248 1.00 0.00 H ATOM 866 N GLU A 110 33.062 5.538 6.511 1.00 12.28 N ATOM 867 CA GLU A 110 34.033 4.503 6.693 1.00 13.99 C ATOM 868 C GLU A 110 33.270 3.155 6.750 1.00 12.25 C ATOM 869 O GLU A 110 32.035 3.127 6.870 1.00 13.38 O ATOM 870 CB GLU A 110 34.917 4.713 7.953 1.00 17.40 C ATOM 871 CG GLU A 110 34.166 4.723 9.198 1.00 17.26 C ATOM 872 CD GLU A 110 35.140 4.909 10.413 1.00 24.31 C ATOM 873 OE1 GLU A 110 36.280 4.436 10.420 1.00 36.89 O ATOM 874 OE2 GLU A 110 34.584 5.377 11.334 1.00 36.19 O ATOM 875 H GLU A 110 32.091 5.383 6.848 1.00 0.00 H ATOM 876 N LYS A 111 33.987 2.060 6.638 1.00 14.92 N ATOM 877 CA LYS A 111 33.392 0.767 6.785 1.00 15.55 C ATOM 878 C LYS A 111 32.681 0.659 8.130 1.00 15.60 C ATOM 879 O LYS A 111 33.196 1.126 9.188 1.00 17.00 O ATOM 880 CB LYS A 111 34.422 -0.333 6.589 1.00 20.88 C ATOM 881 CG LYS A 111 34.909 -0.491 5.138 1.00 24.96 C ATOM 882 CD LYS A 111 35.713 -1.739 4.827 1.00 34.60 C ATOM 883 CE LYS A 111 36.996 -1.732 5.591 1.00 38.24 C ATOM 884 NZ LYS A 111 37.998 -2.389 4.704 1.00 55.31 N ATOM 885 HZ1 LYS A 111 37.689 -3.359 4.493 1.00 0.00 H ATOM 886 HZ2 LYS A 111 38.082 -1.850 3.819 1.00 0.00 H ATOM 887 HZ3 LYS A 111 38.920 -2.415 5.184 1.00 0.00 H ATOM 888 H LYS A 111 35.005 2.134 6.439 1.00 0.00 H ATOM 889 N ALA A 112 31.484 0.095 8.122 1.00 12.32 N ATOM 890 CA ALA A 112 30.784 -0.065 9.384 1.00 14.49 C ATOM 891 C ALA A 112 31.448 -1.073 10.264 1.00 13.07 C ATOM 892 O ALA A 112 31.960 -2.069 9.797 1.00 15.17 O ATOM 893 CB ALA A 112 29.377 -0.562 9.087 1.00 15.69 C ATOM 894 H ALA A 112 31.054 -0.227 7.231 1.00 0.00 H ATOM 895 N THR A 113 31.420 -0.808 11.591 1.00 16.06 N ATOM 896 CA THR A 113 31.923 -1.774 12.567 1.00 17.30 C ATOM 897 C THR A 113 30.908 -2.877 12.660 1.00 15.66 C ATOM 898 O THR A 113 29.751 -2.611 12.968 1.00 16.57 O ATOM 899 CB THR A 113 32.041 -1.058 13.922 1.00 19.39 C ATOM 900 OG1 THR A 113 32.922 0.069 13.765 1.00 23.33 O ATOM 901 CG2 THR A 113 32.552 -2.021 14.933 1.00 21.11 C ATOM 902 HG1 THR A 113 33.009 0.542 14.631 1.00 0.00 H ATOM 903 H THR A 113 31.034 0.099 11.923 1.00 0.00 H ATOM 904 N LEU A 114 31.274 -4.093 12.325 1.00 17.91 N ATOM 905 CA LEU A 114 30.333 -5.237 12.342 1.00 17.06 C ATOM 906 C LEU A 114 30.379 -5.974 13.683 1.00 17.92 C ATOM 907 O LEU A 114 31.350 -5.964 14.349 1.00 22.54 O ATOM 908 CB LEU A 114 30.702 -6.176 11.205 1.00 18.62 C ATOM 909 CG LEU A 114 30.788 -5.548 9.777 1.00 18.96 C ATOM 910 CD1 LEU A 114 30.985 -6.588 8.702 1.00 23.37 C ATOM 911 CD2 LEU A 114 29.529 -4.680 9.484 1.00 19.60 C ATOM 912 H LEU A 114 32.260 -4.259 12.038 1.00 0.00 H ATOM 913 N GLY A 115 29.245 -6.581 13.941 1.00 16.30 N ATOM 914 CA GLY A 115 29.073 -7.382 15.147 1.00 20.09 C ATOM 915 C GLY A 115 27.703 -8.035 15.119 1.00 17.80 C ATOM 916 O GLY A 115 27.006 -8.022 14.146 1.00 17.14 O ATOM 917 H GLY A 115 28.454 -6.489 13.273 1.00 0.00 H ATOM 918 N PRO A 118 27.234 -8.589 16.273 1.00 20.74 N ATOM 919 CA PRO A 118 25.947 -9.224 16.226 1.00 20.60 C ATOM 920 C PRO A 118 24.744 -8.294 15.910 1.00 17.04 C ATOM 921 O PRO A 118 23.744 -8.772 15.392 1.00 19.61 O ATOM 922 CB PRO A 118 25.805 -9.953 17.605 1.00 24.89 C ATOM 923 CG PRO A 118 27.114 -9.832 18.248 1.00 30.95 C ATOM 924 CD PRO A 118 27.970 -8.806 17.525 1.00 23.25 C ATOM 925 N ALA A 119 24.904 -6.986 16.111 1.00 15.78 N ATOM 926 CA ALA A 119 23.865 -6.045 15.879 1.00 14.58 C ATOM 927 C ALA A 119 24.038 -5.213 14.632 1.00 13.75 C ATOM 928 O ALA A 119 23.156 -4.459 14.278 1.00 13.59 O ATOM 929 CB ALA A 119 23.721 -5.087 17.067 1.00 15.54 C ATOM 930 H ALA A 119 25.824 -6.641 16.451 1.00 0.00 H ATOM 931 N VAL A 120 25.174 -5.405 13.885 1.00 13.23 N ATOM 932 CA VAL A 120 25.401 -4.661 12.602 1.00 11.59 C ATOM 933 C VAL A 120 26.061 -5.670 11.647 1.00 12.33 C ATOM 934 O VAL A 120 27.192 -6.094 11.831 1.00 14.34 O ATOM 935 CB VAL A 120 26.291 -3.444 12.789 1.00 12.22 C ATOM 936 CG1 VAL A 120 26.517 -2.788 11.430 1.00 12.91 C ATOM 937 CG2 VAL A 120 25.742 -2.495 13.858 1.00 13.03 C ATOM 938 H VAL A 120 25.892 -6.080 14.216 1.00 0.00 H ATOM 939 N ARG A 121 25.301 -6.048 10.595 1.00 11.86 N ATOM 940 CA ARG A 121 25.809 -7.051 9.653 1.00 13.34 C ATOM 941 C ARG A 121 25.069 -6.872 8.354 1.00 13.30 C ATOM 942 O ARG A 121 23.878 -6.661 8.321 1.00 12.77 O ATOM 943 CB ARG A 121 25.413 -8.452 10.087 1.00 19.12 C ATOM 944 CG ARG A 121 26.051 -9.540 9.273 1.00 26.17 C ATOM 945 CD ARG A 121 27.476 -9.669 9.484 1.00 34.62 C ATOM 946 NE ARG A 121 27.819 -9.772 10.913 1.00 46.06 N ATOM 947 CZ ARG A 121 29.092 -9.878 11.303 1.00 47.44 C ATOM 948 NH1 ARG A 121 30.068 -9.904 10.368 1.00 33.63 N ATOM 949 NH2 ARG A 121 29.418 -9.970 12.583 1.00 43.14 N ATOM 950 HE ARG A 121 27.062 -9.762 11.626 1.00 0.00 H ATOM 951 HH12 ARG A 121 31.063 -9.986 10.658 1.00 0.00 H ATOM 952 HH11 ARG A 121 29.823 -9.842 9.359 1.00 0.00 H ATOM 953 HH22 ARG A 121 30.417 -10.052 12.861 1.00 0.00 H ATOM 954 HH21 ARG A 121 28.675 -9.961 13.311 1.00 0.00 H ATOM 955 H ARG A 121 24.360 -5.629 10.454 1.00 0.00 H ATOM 956 N PRO A 122 25.809 -6.892 7.191 1.00 12.01 N ATOM 957 CA PRO A 122 25.066 -6.830 5.885 1.00 11.06 C ATOM 958 C PRO A 122 24.154 -8.000 5.705 1.00 11.55 C ATOM 959 O PRO A 122 24.416 -9.139 6.140 1.00 14.87 O ATOM 960 CB PRO A 122 26.191 -6.806 4.877 1.00 13.09 C ATOM 961 CG PRO A 122 27.395 -6.298 5.621 1.00 16.01 C ATOM 962 CD PRO A 122 27.270 -6.908 6.974 1.00 14.78 C ATOM 963 N LEU A 123 23.096 -7.728 4.933 1.00 11.02 N ATOM 964 CA LEU A 123 22.090 -8.740 4.528 1.00 12.13 C ATOM 965 C LEU A 123 22.424 -9.256 3.144 1.00 11.15 C ATOM 966 O LEU A 123 22.533 -8.452 2.210 1.00 12.40 O ATOM 967 CB LEU A 123 20.687 -8.195 4.528 1.00 13.01 C ATOM 968 CG LEU A 123 19.551 -9.090 4.177 1.00 14.39 C ATOM 969 CD1 LEU A 123 19.424 -10.201 5.163 1.00 16.32 C ATOM 970 CD2 LEU A 123 18.275 -8.343 4.156 1.00 14.07 C ATOM 971 H LEU A 123 22.972 -6.751 4.598 1.00 0.00 H ATOM 972 N PRO A 124 22.566 -10.583 2.944 1.00 11.88 N ATOM 973 CA PRO A 124 22.656 -11.104 1.564 1.00 12.55 C ATOM 974 C PRO A 124 21.504 -10.639 0.708 1.00 10.70 C ATOM 975 O PRO A 124 20.345 -10.613 1.197 1.00 12.15 O ATOM 976 CB PRO A 124 22.589 -12.623 1.730 1.00 13.76 C ATOM 977 CG PRO A 124 23.127 -12.820 3.110 1.00 16.74 C ATOM 978 CD PRO A 124 22.519 -11.670 3.925 1.00 13.79 C ATOM 979 N TRP A 124A 21.748 -10.359 -0.568 1.00 12.35 N ATOM 980 CA TRP A 124A 20.721 -9.856 -1.429 1.00 11.93 C ATOM 981 C TRP A 124A 20.577 -10.666 -2.697 1.00 12.02 C ATOM 982 O TRP A 124A 21.534 -11.300 -3.179 1.00 14.70 O ATOM 983 CB TRP A 124A 20.919 -8.369 -1.699 1.00 13.12 C ATOM 984 CG TRP A 124A 22.230 -7.960 -2.409 1.00 14.45 C ATOM 985 CD1 TRP A 124A 23.432 -7.664 -1.782 1.00 17.21 C ATOM 986 CD2 TRP A 124A 22.396 -7.772 -3.799 1.00 15.12 C ATOM 987 NE1 TRP A 124A 24.364 -7.327 -2.742 1.00 16.22 N ATOM 988 CE2 TRP A 124A 23.745 -7.366 -3.979 1.00 14.23 C ATOM 989 CE3 TRP A 124A 21.547 -7.897 -4.923 1.00 18.56 C ATOM 990 CZ2 TRP A 124A 24.259 -7.025 -5.250 1.00 16.94 C ATOM 991 CZ3 TRP A 124A 22.094 -7.561 -6.197 1.00 21.20 C ATOM 992 CH2 TRP A 124A 23.440 -7.211 -6.305 1.00 15.90 C ATOM 993 HE1 TRP A 124A 25.360 -7.085 -2.566 1.00 0.00 H ATOM 994 H TRP A 124A 22.704 -10.508 -0.949 1.00 0.00 H ATOM 995 N GLN A 125 19.324 -10.740 -3.201 1.00 12.33 N ATOM 996 CA GLN A 125 19.020 -11.635 -4.286 1.00 12.35 C ATOM 997 C GLN A 125 19.657 -11.211 -5.632 1.00 15.28 C ATOM 998 O GLN A 125 19.396 -10.111 -6.070 1.00 15.59 O ATOM 999 CB GLN A 125 17.523 -11.670 -4.459 1.00 14.55 C ATOM 1000 CG GLN A 125 17.026 -12.699 -5.494 1.00 15.03 C ATOM 1001 CD GLN A 125 17.386 -14.107 -5.217 1.00 21.38 C ATOM 1002 OE1 GLN A 125 18.252 -14.648 -5.774 1.00 28.89 O ATOM 1003 NE2 GLN A 125 16.833 -14.613 -4.157 1.00 31.24 N ATOM 1004 HE22 GLN A 125 16.060 -14.105 -3.681 1.00 0.00 H ATOM 1005 HE21 GLN A 125 17.163 -15.526 -3.784 1.00 0.00 H ATOM 1006 H GLN A 125 18.572 -10.144 -2.800 1.00 0.00 H ATOM 1007 N ARG A 126 20.474 -12.113 -6.199 1.00 20.16 N ATOM 1008 CA ARG A 126 21.199 -11.879 -7.462 1.00 26.34 C ATOM 1009 C ARG A 126 20.447 -12.623 -8.646 1.00 30.32 C ATOM 1010 O ARG A 126 20.723 -12.234 -9.851 1.00 47.58 O ATOM 1011 CB ARG A 126 22.707 -12.181 -7.308 1.00 31.71 C ATOM 1012 H ARG A 126 20.603 -13.028 -5.721 1.00 0.00 H ATOM 1013 N VAL A 127 19.501 -13.628 -8.400 1.00 27.60 N ATOM 1014 CA VAL A 127 18.857 -14.393 -9.520 1.00 35.68 C ATOM 1015 C VAL A 127 17.506 -13.712 -9.766 1.00 29.35 C ATOM 1016 O VAL A 127 16.627 -13.462 -8.853 1.00 29.69 O ATOM 1017 CB VAL A 127 18.643 -15.817 -9.004 1.00 39.71 C ATOM 1018 CG1 VAL A 127 17.910 -16.647 -10.053 1.00 37.09 C ATOM 1019 CG2 VAL A 127 20.005 -16.468 -8.723 1.00 42.31 C ATOM 1020 H VAL A 127 19.239 -13.849 -7.418 1.00 0.00 H ATOM 1021 N ASP A 128 17.392 -13.331 -11.038 1.00 26.60 N ATOM 1022 CA ASP A 128 16.264 -12.501 -11.427 1.00 23.00 C ATOM 1023 C ASP A 128 15.057 -13.380 -11.738 1.00 25.71 C ATOM 1024 O ASP A 128 14.654 -13.534 -12.899 1.00 27.00 O ATOM 1025 CB ASP A 128 16.686 -11.578 -12.547 1.00 20.16 C ATOM 1026 CG ASP A 128 15.686 -10.563 -12.866 1.00 17.60 C ATOM 1027 OD1 ASP A 128 14.758 -10.294 -12.099 1.00 20.95 O ATOM 1028 OD2 ASP A 128 15.815 -9.843 -13.909 1.00 19.40 O ATOM 1029 H ASP A 128 18.100 -13.623 -11.742 1.00 0.00 H ATOM 1030 N ARG A 129 14.457 -13.916 -10.701 1.00 27.70 N ATOM 1031 CA ARG A 129 13.217 -14.657 -10.819 1.00 28.17 C ATOM 1032 C ARG A 129 12.282 -14.256 -9.684 1.00 25.75 C ATOM 1033 O ARG A 129 12.722 -13.838 -8.536 1.00 29.82 O ATOM 1034 CB ARG A 129 13.439 -16.206 -10.840 1.00 34.05 C ATOM 1035 CG ARG A 129 13.932 -16.760 -12.210 1.00 33.08 C ATOM 1036 CD ARG A 129 13.850 -18.292 -12.360 1.00 41.82 C ATOM 1037 NE ARG A 129 14.679 -19.089 -11.450 1.00 51.38 N ATOM 1038 CZ ARG A 129 15.999 -19.320 -11.564 1.00 55.83 C ATOM 1039 NH1 ARG A 129 16.727 -18.811 -12.569 1.00 52.97 N ATOM 1040 NH2 ARG A 129 16.609 -20.086 -10.658 1.00 64.06 N ATOM 1041 HE ARG A 129 14.198 -19.519 -10.634 1.00 0.00 H ATOM 1042 HH12 ARG A 129 17.746 -19.010 -12.626 1.00 0.00 H ATOM 1043 HH11 ARG A 129 16.272 -18.217 -13.291 1.00 0.00 H ATOM 1044 HH22 ARG A 129 17.629 -20.271 -10.736 1.00 0.00 H ATOM 1045 HH21 ARG A 129 16.064 -20.498 -9.874 1.00 0.00 H ATOM 1046 H ARG A 129 14.887 -13.805 -9.761 1.00 0.00 H ATOM 1047 N ASP A 129A 10.987 -14.289 -10.006 1.00 33.06 N ATOM 1048 CA ASP A 129A 9.953 -13.788 -9.060 1.00 33.76 C ATOM 1049 C ASP A 129A 10.005 -14.629 -7.827 1.00 31.82 C ATOM 1050 O ASP A 129A 10.100 -15.833 -7.936 1.00 30.98 O ATOM 1051 CB ASP A 129A 8.514 -13.939 -9.623 1.00 33.23 C ATOM 1052 CG ASP A 129A 8.022 -12.678 -10.381 1.00 36.34 C ATOM 1053 OD1 ASP A 129A 8.430 -11.601 -9.967 1.00 39.10 O ATOM 1054 OD2 ASP A 129A 7.318 -12.783 -11.440 1.00 43.72 O ATOM 1055 H ASP A 129A 10.697 -14.670 -10.929 1.00 0.00 H ATOM 1056 N VAL A 130 9.854 -13.891 -6.703 1.00 26.72 N ATOM 1057 CA VAL A 130 9.550 -14.522 -5.429 1.00 21.55 C ATOM 1058 C VAL A 130 8.131 -15.070 -5.744 1.00 21.35 C ATOM 1059 O VAL A 130 7.266 -14.269 -6.155 1.00 20.35 O ATOM 1060 CB VAL A 130 9.576 -13.617 -4.191 1.00 19.07 C ATOM 1061 CG1 VAL A 130 8.923 -14.364 -3.001 1.00 23.14 C ATOM 1062 CG2 VAL A 130 11.005 -13.168 -3.925 1.00 20.11 C ATOM 1063 H VAL A 130 9.957 -12.857 -6.751 1.00 0.00 H ATOM 1064 N ALA A 131 7.885 -16.322 -5.468 1.00 20.32 N ATOM 1065 CA ALA A 131 6.579 -16.842 -5.562 1.00 27.06 C ATOM 1066 C ALA A 131 5.409 -16.274 -4.691 1.00 22.55 C ATOM 1067 O ALA A 131 5.571 -15.935 -3.525 1.00 22.32 O ATOM 1068 CB ALA A 131 6.655 -18.246 -5.102 1.00 24.75 C ATOM 1069 H ALA A 131 8.665 -16.945 -5.174 1.00 0.00 H ATOM 1070 N PRO A 132 4.224 -16.134 -5.299 1.00 23.82 N ATOM 1071 CA PRO A 132 3.209 -15.421 -4.496 1.00 20.17 C ATOM 1072 C PRO A 132 2.753 -16.229 -3.244 1.00 18.59 C ATOM 1073 O PRO A 132 2.855 -17.461 -3.097 1.00 22.30 O ATOM 1074 CB PRO A 132 2.180 -15.032 -5.515 1.00 21.29 C ATOM 1075 CG PRO A 132 2.270 -16.214 -6.493 1.00 23.52 C ATOM 1076 CD PRO A 132 3.737 -16.433 -6.631 1.00 21.23 C ATOM 1077 N GLY A 133 2.275 -15.448 -2.294 1.00 14.11 N ATOM 1078 CA GLY A 133 1.922 -15.944 -0.963 1.00 12.82 C ATOM 1079 C GLY A 133 3.097 -16.147 -0.051 1.00 12.55 C ATOM 1080 O GLY A 133 2.886 -16.220 1.149 1.00 14.02 O ATOM 1081 H GLY A 133 2.143 -14.437 -2.500 1.00 0.00 H ATOM 1082 N THR A 134 4.322 -16.074 -0.515 1.00 13.09 N ATOM 1083 CA THR A 134 5.496 -16.213 0.284 1.00 12.77 C ATOM 1084 C THR A 134 5.451 -15.132 1.345 1.00 12.80 C ATOM 1085 O THR A 134 5.264 -13.952 1.053 1.00 12.78 O ATOM 1086 CB THR A 134 6.771 -16.057 -0.557 1.00 15.15 C ATOM 1087 OG1 THR A 134 6.852 -17.040 -1.616 1.00 14.48 O ATOM 1088 CG2 THR A 134 7.972 -16.180 0.258 1.00 16.73 C ATOM 1089 HG1 THR A 134 6.072 -16.940 -2.218 1.00 0.00 H ATOM 1090 H THR A 134 4.446 -15.903 -1.533 1.00 0.00 H ATOM 1091 N LEU A 135 5.700 -15.559 2.622 1.00 13.30 N ATOM 1092 CA LEU A 135 5.689 -14.576 3.707 1.00 15.08 C ATOM 1093 C LEU A 135 7.035 -13.883 3.804 1.00 14.35 C ATOM 1094 O LEU A 135 8.023 -14.555 4.111 1.00 19.58 O ATOM 1095 CB LEU A 135 5.473 -15.339 5.026 1.00 18.70 C ATOM 1096 CG LEU A 135 4.048 -15.547 5.288 1.00 26.22 C ATOM 1097 CD1 LEU A 135 3.923 -16.301 6.623 1.00 25.86 C ATOM 1098 CD2 LEU A 135 3.128 -14.283 5.432 1.00 24.24 C ATOM 1099 H LEU A 135 5.893 -16.562 2.817 1.00 0.00 H ATOM 1100 N CYS A 136 7.041 -12.549 3.658 1.00 12.74 N ATOM 1101 CA CYS A 136 8.208 -11.748 3.732 1.00 12.62 C ATOM 1102 C CYS A 136 8.148 -10.779 4.888 1.00 14.36 C ATOM 1103 O CYS A 136 7.098 -10.425 5.281 1.00 21.21 O ATOM 1104 CB CYS A 136 8.486 -11.045 2.438 1.00 13.00 C ATOM 1105 SG CYS A 136 8.645 -12.198 1.000 1.00 16.56 S ATOM 1106 H CYS A 136 6.133 -12.074 3.480 1.00 0.00 H ATOM 1107 N ASP A 137 9.303 -10.447 5.397 1.00 13.01 N ATOM 1108 CA ASP A 137 9.399 -9.565 6.565 1.00 14.60 C ATOM 1109 C ASP A 137 9.691 -8.140 6.103 1.00 12.65 C ATOM 1110 O ASP A 137 10.680 -7.951 5.299 1.00 14.24 O ATOM 1111 CB ASP A 137 10.514 -10.054 7.467 1.00 17.41 C ATOM 1112 CG ASP A 137 10.669 -9.217 8.779 1.00 22.57 C ATOM 1113 OD1 ASP A 137 9.883 -9.497 9.614 1.00 35.61 O ATOM 1114 OD2 ASP A 137 11.563 -8.346 8.867 1.00 27.47 O ATOM 1115 H ASP A 137 10.174 -10.816 4.965 1.00 0.00 H ATOM 1116 N VAL A 138 8.955 -7.128 6.584 1.00 12.22 N ATOM 1117 CA VAL A 138 9.350 -5.773 6.404 1.00 12.05 C ATOM 1118 C VAL A 138 9.423 -5.096 7.765 1.00 13.61 C ATOM 1119 O VAL A 138 8.498 -5.257 8.591 1.00 16.73 O ATOM 1120 CB VAL A 138 8.402 -5.013 5.513 1.00 14.72 C ATOM 1121 CG1 VAL A 138 7.057 -5.038 5.887 1.00 21.31 C ATOM 1122 CG2 VAL A 138 8.835 -3.575 5.109 1.00 18.00 C ATOM 1123 H VAL A 138 8.077 -7.338 7.100 1.00 0.00 H ATOM 1124 N ALA A 139 10.445 -4.316 7.965 1.00 12.65 N ATOM 1125 CA ALA A 139 10.650 -3.658 9.245 1.00 10.76 C ATOM 1126 C ALA A 139 10.883 -2.171 8.933 1.00 11.54 C ATOM 1127 O ALA A 139 11.347 -1.800 7.833 1.00 12.13 O ATOM 1128 CB ALA A 139 11.796 -4.254 10.011 1.00 13.59 C ATOM 1129 H ALA A 139 11.127 -4.161 7.196 1.00 0.00 H ATOM 1130 N GLY A 140 10.575 -1.311 9.902 1.00 12.53 N ATOM 1131 CA GLY A 140 10.815 0.107 9.707 1.00 13.11 C ATOM 1132 C GLY A 140 10.404 0.949 10.912 1.00 10.71 C ATOM 1133 O GLY A 140 9.685 0.431 11.803 1.00 12.14 O ATOM 1134 H GLY A 140 10.165 -1.654 10.794 1.00 0.00 H ATOM 1135 N TRP A 141 10.785 2.198 10.862 1.00 10.05 N ATOM 1136 CA TRP A 141 10.451 3.243 11.782 1.00 11.44 C ATOM 1137 C TRP A 141 9.394 4.154 11.160 1.00 11.05 C ATOM 1138 O TRP A 141 9.176 5.300 11.612 1.00 12.17 O ATOM 1139 CB TRP A 141 11.614 3.974 12.335 1.00 9.78 C ATOM 1140 CG TRP A 141 12.644 3.243 13.116 1.00 11.20 C ATOM 1141 CD1 TRP A 141 12.625 3.127 14.513 1.00 12.39 C ATOM 1142 CD2 TRP A 141 13.783 2.593 12.706 1.00 11.02 C ATOM 1143 NE1 TRP A 141 13.728 2.483 14.926 1.00 13.50 N ATOM 1144 CE2 TRP A 141 14.492 2.114 13.856 1.00 12.03 C ATOM 1145 CE3 TRP A 141 14.340 2.386 11.404 1.00 12.18 C ATOM 1146 CZ2 TRP A 141 15.607 1.391 13.775 1.00 13.57 C ATOM 1147 CZ3 TRP A 141 15.508 1.666 11.310 1.00 13.56 C ATOM 1148 CH2 TRP A 141 16.172 1.237 12.506 1.00 13.29 C ATOM 1149 HE1 TRP A 141 13.967 2.292 15.920 1.00 0.00 H ATOM 1150 H TRP A 141 11.399 2.462 10.065 1.00 0.00 H ATOM 1151 N GLY A 142 8.695 3.639 10.104 1.00 12.06 N ATOM 1152 CA GLY A 142 7.656 4.404 9.579 1.00 12.71 C ATOM 1153 C GLY A 142 6.427 4.606 10.437 1.00 14.39 C ATOM 1154 O GLY A 142 6.325 3.998 11.540 1.00 14.46 O ATOM 1155 H GLY A 142 8.931 2.708 9.706 1.00 0.00 H ATOM 1156 N ILE A 143 5.484 5.429 9.978 1.00 14.62 N ATOM 1157 CA ILE A 143 4.324 5.729 10.741 1.00 17.37 C ATOM 1158 C ILE A 143 3.512 4.469 11.149 1.00 16.29 C ATOM 1159 O ILE A 143 3.446 3.495 10.414 1.00 19.02 O ATOM 1160 CB ILE A 143 3.422 6.808 10.146 1.00 16.08 C ATOM 1161 CG1 ILE A 143 2.804 6.391 8.833 1.00 17.12 C ATOM 1162 CG2 ILE A 143 4.241 8.072 9.887 1.00 17.02 C ATOM 1163 CD1 ILE A 143 1.786 7.314 8.289 1.00 18.38 C ATOM 1164 H ILE A 143 5.600 5.861 9.039 1.00 0.00 H ATOM 1165 N VAL A 144 2.889 4.517 12.324 1.00 19.06 N ATOM 1166 CA VAL A 144 2.217 3.360 12.924 1.00 18.50 C ATOM 1167 C VAL A 144 0.714 3.519 13.003 1.00 20.64 C ATOM 1168 O VAL A 144 0.065 2.597 13.394 1.00 21.73 O ATOM 1169 CB VAL A 144 2.799 2.887 14.329 1.00 20.54 C ATOM 1170 CG1 VAL A 144 4.228 2.379 14.150 1.00 20.15 C ATOM 1171 CG2 VAL A 144 2.695 4.006 15.350 1.00 20.56 C ATOM 1172 H VAL A 144 2.878 5.419 12.842 1.00 0.00 H ATOM 1173 N ASN A 145 0.162 4.644 12.546 1.00 19.35 N ATOM 1174 CA ASN A 145 -1.305 4.861 12.486 1.00 21.69 C ATOM 1175 C ASN A 145 -1.571 5.960 11.403 1.00 21.47 C ATOM 1176 O ASN A 145 -0.645 6.612 10.843 1.00 24.95 O ATOM 1177 CB ASN A 145 -1.883 5.161 13.870 1.00 17.11 C ATOM 1178 CG ASN A 145 -1.368 6.414 14.460 1.00 16.90 C ATOM 1179 OD1 ASN A 145 -0.987 7.399 13.725 1.00 19.31 O ATOM 1180 ND2 ASN A 145 -1.430 6.510 15.805 1.00 22.84 N ATOM 1181 HD22 ASN A 145 -1.742 5.695 16.371 1.00 0.00 H ATOM 1182 HD21 ASN A 145 -1.166 7.399 16.276 1.00 0.00 H ATOM 1183 H ASN A 145 0.789 5.405 12.216 1.00 0.00 H ATOM 1184 N HIS A 146 -2.837 6.077 11.076 1.00 22.52 N ATOM 1185 CA HIS A 146 -3.282 7.090 10.103 1.00 25.36 C ATOM 1186 C HIS A 146 -3.103 8.514 10.476 1.00 22.16 C ATOM 1187 O HIS A 146 -3.009 9.409 9.648 1.00 22.89 O ATOM 1188 CB HIS A 146 -4.813 6.875 9.796 1.00 32.14 C ATOM 1189 CG HIS A 146 -5.052 5.695 8.962 1.00 34.61 C ATOM 1190 ND1 HIS A 146 -6.297 5.277 8.520 1.00 48.31 N ATOM 1191 CD2 HIS A 146 -4.155 5.046 8.221 1.00 26.96 C ATOM 1192 CE1 HIS A 146 -6.144 4.231 7.673 1.00 28.40 C ATOM 1193 NE2 HIS A 146 -4.788 4.040 7.618 1.00 38.26 N ATOM 1194 H HIS A 146 -3.538 5.444 11.511 1.00 0.00 H ATOM 1195 N ALA A 147 -3.019 8.778 11.813 1.00 19.71 N ATOM 1196 CA ALA A 147 -2.687 10.095 12.262 1.00 17.89 C ATOM 1197 C ALA A 147 -1.247 10.535 12.026 1.00 17.61 C ATOM 1198 O ALA A 147 -0.927 11.738 12.083 1.00 17.42 O ATOM 1199 CB ALA A 147 -2.936 10.170 13.803 1.00 16.89 C ATOM 1200 H ALA A 147 -3.196 8.022 12.505 1.00 0.00 H ATOM 1201 N GLY A 149 -0.376 9.537 11.615 1.00 16.89 N ATOM 1202 CA GLY A 149 1.010 9.830 11.371 1.00 15.70 C ATOM 1203 C GLY A 149 1.990 9.634 12.544 1.00 15.56 C ATOM 1204 O GLY A 149 3.105 10.177 12.518 1.00 15.49 O ATOM 1205 H GLY A 149 -0.729 8.568 11.482 1.00 0.00 H ATOM 1206 N ARG A 150 1.544 8.893 13.613 1.00 15.25 N ATOM 1207 CA ARG A 150 2.430 8.778 14.805 1.00 16.50 C ATOM 1208 C ARG A 150 3.743 8.081 14.427 1.00 14.54 C ATOM 1209 O ARG A 150 3.720 7.016 13.742 1.00 17.50 O ATOM 1210 CB ARG A 150 1.688 7.982 15.828 1.00 18.33 C ATOM 1211 CG ARG A 150 2.536 7.748 17.094 1.00 22.76 C ATOM 1212 CD ARG A 150 1.860 6.722 18.054 1.00 35.84 C ATOM 1213 NE ARG A 150 1.704 7.074 19.443 1.00 53.87 N ATOM 1214 CZ ARG A 150 1.666 6.180 20.472 1.00 64.79 C ATOM 1215 NH1 ARG A 150 1.914 4.821 20.344 1.00 90.78 N ATOM 1216 NH2 ARG A 150 1.448 6.641 21.691 1.00 68.08 N ATOM 1217 HE ARG A 150 1.614 8.083 19.677 1.00 0.00 H ATOM 1218 HH12 ARG A 150 1.865 4.203 21.179 1.00 0.00 H ATOM 1219 HH11 ARG A 150 2.148 4.421 19.413 1.00 0.00 H ATOM 1220 HH22 ARG A 150 1.413 5.984 22.497 1.00 0.00 H ATOM 1221 HH21 ARG A 150 1.311 7.660 21.845 1.00 0.00 H ATOM 1222 H ARG A 150 0.615 8.426 13.590 1.00 0.00 H ATOM 1223 N ARG A 151 4.873 8.647 14.818 1.00 14.10 N ATOM 1224 CA ARG A 151 6.238 8.117 14.521 1.00 15.26 C ATOM 1225 C ARG A 151 6.653 7.207 15.704 1.00 13.44 C ATOM 1226 O ARG A 151 6.664 7.703 16.878 1.00 15.80 O ATOM 1227 CB ARG A 151 7.264 9.206 14.431 1.00 14.37 C ATOM 1228 CG ARG A 151 7.139 10.047 13.186 1.00 17.62 C ATOM 1229 CD ARG A 151 8.191 11.131 13.288 1.00 22.88 C ATOM 1230 H ARG A 151 4.806 9.524 15.372 1.00 0.00 H ATOM 1231 N PRO A 152 7.001 5.946 15.529 1.00 13.77 N ATOM 1232 CA PRO A 152 7.471 5.121 16.710 1.00 12.50 C ATOM 1233 C PRO A 152 8.905 5.448 17.053 1.00 11.90 C ATOM 1234 O PRO A 152 9.767 5.586 16.122 1.00 14.11 O ATOM 1235 CB PRO A 152 7.360 3.702 16.072 1.00 14.11 C ATOM 1236 CG PRO A 152 7.660 3.861 14.564 1.00 15.16 C ATOM 1237 CD PRO A 152 6.955 5.199 14.265 1.00 13.26 C ATOM 1238 N ASP A 153 9.258 5.376 18.291 1.00 13.99 N ATOM 1239 CA ASP A 153 10.642 5.471 18.606 1.00 13.12 C ATOM 1240 C ASP A 153 11.402 4.200 18.283 1.00 12.57 C ATOM 1241 O ASP A 153 12.644 4.273 18.054 1.00 13.56 O ATOM 1242 CB ASP A 153 10.773 5.828 20.122 1.00 14.43 C ATOM 1243 CG ASP A 153 12.214 5.797 20.597 1.00 13.73 C ATOM 1244 OD1 ASP A 153 12.965 6.799 20.258 1.00 16.56 O ATOM 1245 OD2 ASP A 153 12.602 4.868 21.321 1.00 14.87 O ATOM 1246 H ASP A 153 8.548 5.252 19.041 1.00 0.00 H ATOM 1247 N SER A 154 10.760 3.037 18.337 1.00 13.30 N ATOM 1248 CA SER A 154 11.554 1.848 18.098 1.00 13.26 C ATOM 1249 C SER A 154 11.060 1.060 16.889 1.00 12.22 C ATOM 1250 O SER A 154 9.933 1.182 16.422 1.00 15.33 O ATOM 1251 CB SER A 154 11.563 0.949 19.319 1.00 15.44 C ATOM 1252 OG SER A 154 10.251 0.514 19.444 1.00 17.16 O ATOM 1253 HG SER A 154 9.988 0.022 18.626 1.00 0.00 H ATOM 1254 H SER A 154 9.741 2.983 18.540 1.00 0.00 H ATOM 1255 N LEU A 155 11.903 0.183 16.415 1.00 11.72 N ATOM 1256 CA LEU A 155 11.739 -0.560 15.174 1.00 11.99 C ATOM 1257 C LEU A 155 10.535 -1.448 15.274 1.00 14.13 C ATOM 1258 O LEU A 155 10.353 -2.243 16.239 1.00 14.50 O ATOM 1259 CB LEU A 155 13.004 -1.392 14.862 1.00 13.88 C ATOM 1260 CG LEU A 155 12.974 -2.118 13.507 1.00 13.14 C ATOM 1261 CD1 LEU A 155 13.017 -1.113 12.358 1.00 11.91 C ATOM 1262 CD2 LEU A 155 14.136 -3.079 13.464 1.00 15.08 C ATOM 1263 H LEU A 155 12.763 0.000 16.970 1.00 0.00 H ATOM 1264 N GLN A 156 9.646 -1.421 14.296 1.00 14.00 N ATOM 1265 CA GLN A 156 8.516 -2.262 14.147 1.00 14.58 C ATOM 1266 C GLN A 156 8.696 -3.252 13.007 1.00 15.91 C ATOM 1267 O GLN A 156 9.472 -2.955 12.074 1.00 14.82 O ATOM 1268 CB GLN A 156 7.281 -1.400 13.852 1.00 15.64 C ATOM 1269 CG GLN A 156 7.038 -0.240 14.838 1.00 15.27 C ATOM 1270 CD GLN A 156 6.750 -0.710 16.270 1.00 15.18 C ATOM 1271 OE1 GLN A 156 5.804 -1.426 16.472 1.00 19.54 O ATOM 1272 NE2 GLN A 156 7.564 -0.276 17.196 1.00 16.52 N ATOM 1273 HE22 GLN A 156 8.361 0.341 16.940 1.00 0.00 H ATOM 1274 HE21 GLN A 156 7.415 -0.548 18.189 1.00 0.00 H ATOM 1275 H GLN A 156 9.792 -0.705 13.556 1.00 0.00 H ATOM 1276 N HIS A 157 7.891 -4.284 12.997 1.00 16.50 N ATOM 1277 CA HIS A 157 7.931 -5.143 11.805 1.00 15.75 C ATOM 1278 C HIS A 157 6.567 -5.832 11.582 1.00 17.31 C ATOM 1279 O HIS A 157 5.743 -5.869 12.490 1.00 17.74 O ATOM 1280 CB HIS A 157 9.026 -6.181 11.914 1.00 20.35 C ATOM 1281 CG HIS A 157 8.652 -7.334 12.792 1.00 23.61 C ATOM 1282 ND1 HIS A 157 8.262 -8.562 12.295 1.00 28.44 N ATOM 1283 CD2 HIS A 157 8.342 -7.361 14.120 1.00 25.71 C ATOM 1284 CE1 HIS A 157 7.883 -9.332 13.312 1.00 32.19 C ATOM 1285 NE2 HIS A 157 7.949 -8.633 14.430 1.00 28.49 N ATOM 1286 H HIS A 157 7.254 -4.486 13.794 1.00 0.00 H ATOM 1287 N VAL A 158 6.437 -6.405 10.380 1.00 15.92 N ATOM 1288 CA VAL A 158 5.316 -7.197 10.051 1.00 17.81 C ATOM 1289 C VAL A 158 5.645 -8.174 8.954 1.00 14.28 C ATOM 1290 O VAL A 158 6.556 -7.934 8.117 1.00 17.11 O ATOM 1291 CB VAL A 158 4.174 -6.290 9.691 1.00 19.28 C ATOM 1292 CG1 VAL A 158 4.323 -5.576 8.355 1.00 19.40 C ATOM 1293 CG2 VAL A 158 2.838 -7.050 9.730 1.00 21.85 C ATOM 1294 H VAL A 158 7.182 -6.263 9.669 1.00 0.00 H ATOM 1295 N LEU A 159 4.914 -9.274 8.931 1.00 15.07 N ATOM 1296 CA LEU A 159 5.054 -10.264 7.914 1.00 14.68 C ATOM 1297 C LEU A 159 3.957 -10.124 6.904 1.00 17.34 C ATOM 1298 O LEU A 159 2.807 -10.041 7.229 1.00 18.45 O ATOM 1299 CB LEU A 159 5.016 -11.678 8.492 1.00 17.57 C ATOM 1300 CG LEU A 159 6.200 -12.221 9.324 1.00 23.11 C ATOM 1301 CD1 LEU A 159 5.695 -13.572 9.869 1.00 29.51 C ATOM 1302 CD2 LEU A 159 7.399 -12.356 8.323 1.00 30.12 C ATOM 1303 H LEU A 159 4.210 -9.424 9.682 1.00 0.00 H ATOM 1304 N LEU A 160 4.275 -10.047 5.634 1.00 13.58 N ATOM 1305 CA LEU A 160 3.343 -9.786 4.543 1.00 12.71 C ATOM 1306 C LEU A 160 3.525 -10.827 3.427 1.00 12.88 C ATOM 1307 O LEU A 160 4.658 -11.127 3.046 1.00 13.76 O ATOM 1308 CB LEU A 160 3.638 -8.427 3.905 1.00 14.98 C ATOM 1309 CG LEU A 160 3.588 -7.215 4.795 1.00 14.70 C ATOM 1310 CD1 LEU A 160 3.891 -5.915 4.065 1.00 15.69 C ATOM 1311 CD2 LEU A 160 2.255 -7.001 5.417 1.00 17.82 C ATOM 1312 H LEU A 160 5.275 -10.183 5.384 1.00 0.00 H ATOM 1313 N PRO A 161 2.428 -11.386 2.950 1.00 13.21 N ATOM 1314 CA PRO A 161 2.495 -12.312 1.812 1.00 12.38 C ATOM 1315 C PRO A 161 2.761 -11.499 0.499 1.00 12.06 C ATOM 1316 O PRO A 161 2.121 -10.530 0.246 1.00 11.75 O ATOM 1317 CB PRO A 161 1.132 -12.947 1.730 1.00 14.52 C ATOM 1318 CG PRO A 161 0.426 -12.512 2.901 1.00 21.14 C ATOM 1319 CD PRO A 161 1.071 -11.328 3.506 1.00 13.61 C ATOM 1320 N VAL A 162 3.632 -12.073 -0.341 1.00 11.88 N ATOM 1321 CA VAL A 162 3.797 -11.533 -1.659 1.00 11.18 C ATOM 1322 C VAL A 162 2.469 -11.668 -2.471 1.00 11.35 C ATOM 1323 O VAL A 162 1.778 -12.691 -2.353 1.00 11.29 O ATOM 1324 CB VAL A 162 4.951 -12.284 -2.389 1.00 12.77 C ATOM 1325 CG1 VAL A 162 5.079 -11.840 -3.873 1.00 15.38 C ATOM 1326 CG2 VAL A 162 6.240 -11.922 -1.666 1.00 13.58 C ATOM 1327 H VAL A 162 4.183 -12.902 -0.040 1.00 0.00 H ATOM 1328 N LEU A 163 2.147 -10.607 -3.213 1.00 11.44 N ATOM 1329 CA LEU A 163 0.889 -10.585 -4.001 1.00 11.94 C ATOM 1330 C LEU A 163 1.297 -10.846 -5.447 1.00 12.92 C ATOM 1331 O LEU A 163 2.150 -10.127 -5.989 1.00 16.42 O ATOM 1332 CB LEU A 163 0.219 -9.270 -3.791 1.00 13.86 C ATOM 1333 CG LEU A 163 -1.046 -9.050 -4.574 1.00 15.38 C ATOM 1334 CD1 LEU A 163 -2.089 -9.990 -4.151 1.00 17.73 C ATOM 1335 CD2 LEU A 163 -1.389 -7.575 -4.678 1.00 18.01 C ATOM 1336 H LEU A 163 2.785 -9.786 -3.240 1.00 0.00 H ATOM 1337 N ASP A 164 0.586 -11.714 -6.094 1.00 13.04 N ATOM 1338 CA ASP A 164 0.968 -12.082 -7.513 1.00 14.38 C ATOM 1339 C ASP A 164 0.806 -10.876 -8.396 1.00 13.72 C ATOM 1340 O ASP A 164 -0.049 -10.005 -8.231 1.00 12.20 O ATOM 1341 CB ASP A 164 0.055 -13.226 -7.982 1.00 16.61 C ATOM 1342 CG ASP A 164 -1.379 -12.874 -8.167 1.00 16.30 C ATOM 1343 OD1 ASP A 164 -2.173 -12.790 -7.214 1.00 20.77 O ATOM 1344 OD2 ASP A 164 -1.807 -12.521 -9.332 1.00 18.17 O ATOM 1345 H ASP A 164 -0.241 -12.155 -5.643 1.00 0.00 H ATOM 1346 N ARG A 165 1.683 -10.802 -9.397 1.00 14.83 N ATOM 1347 CA ARG A 165 1.711 -9.579 -10.255 1.00 16.39 C ATOM 1348 C ARG A 165 0.437 -9.362 -11.052 1.00 14.91 C ATOM 1349 O ARG A 165 0.033 -8.213 -11.195 1.00 13.71 O ATOM 1350 CB ARG A 165 2.916 -9.592 -11.182 1.00 20.32 C ATOM 1351 CG ARG A 165 3.269 -8.183 -11.856 1.00 24.11 C ATOM 1352 CD ARG A 165 4.580 -7.930 -12.710 1.00 23.26 C ATOM 1353 NE ARG A 165 5.860 -7.949 -11.889 1.00 17.27 N ATOM 1354 CZ ARG A 165 6.416 -9.124 -11.549 1.00 21.19 C ATOM 1355 NH1 ARG A 165 5.864 -10.281 -12.018 1.00 23.43 N ATOM 1356 NH2 ARG A 165 7.430 -9.182 -10.645 1.00 21.32 N ATOM 1357 HE ARG A 165 6.303 -7.056 -11.592 1.00 0.00 H ATOM 1358 HH12 ARG A 165 6.283 -11.198 -11.763 1.00 0.00 H ATOM 1359 HH11 ARG A 165 5.024 -10.246 -12.630 1.00 0.00 H ATOM 1360 HH22 ARG A 165 7.850 -10.099 -10.392 1.00 0.00 H ATOM 1361 HH21 ARG A 165 7.786 -8.309 -10.206 1.00 0.00 H ATOM 1362 H ARG A 165 2.341 -11.587 -9.579 1.00 0.00 H ATOM 1363 N ALA A 166 -0.220 -10.424 -11.537 1.00 12.54 N ATOM 1364 CA ALA A 166 -1.451 -10.221 -12.279 1.00 13.63 C ATOM 1365 C ALA A 166 -2.520 -9.550 -11.444 1.00 14.15 C ATOM 1366 O ALA A 166 -3.184 -8.617 -11.868 1.00 15.13 O ATOM 1367 CB ALA A 166 -1.992 -11.528 -12.906 1.00 15.49 C ATOM 1368 H ALA A 166 0.148 -11.384 -11.383 1.00 0.00 H ATOM 1369 N THR A 167 -2.642 -9.940 -10.153 1.00 12.98 N ATOM 1370 CA THR A 167 -3.636 -9.265 -9.337 1.00 14.88 C ATOM 1371 C THR A 167 -3.202 -7.841 -9.101 1.00 12.59 C ATOM 1372 O THR A 167 -4.037 -6.917 -9.176 1.00 14.48 O ATOM 1373 CB THR A 167 -3.777 -9.984 -7.954 1.00 16.01 C ATOM 1374 OG1 THR A 167 -4.246 -11.292 -8.164 1.00 18.68 O ATOM 1375 CG2 THR A 167 -4.709 -9.160 -7.142 1.00 17.49 C ATOM 1376 HG1 THR A 167 -3.603 -11.785 -8.733 1.00 0.00 H ATOM 1377 H THR A 167 -2.045 -10.696 -9.760 1.00 0.00 H ATOM 1378 N CYS A 168 -1.899 -7.655 -8.822 1.00 11.51 N ATOM 1379 CA CYS A 168 -1.443 -6.326 -8.524 1.00 13.14 C ATOM 1380 C CYS A 168 -1.669 -5.334 -9.671 1.00 15.64 C ATOM 1381 O CYS A 168 -1.837 -4.152 -9.456 1.00 15.90 O ATOM 1382 CB CYS A 168 0.059 -6.382 -8.176 1.00 14.72 C ATOM 1383 SG CYS A 168 0.418 -4.992 -7.099 1.00 16.21 S ATOM 1384 H CYS A 168 -1.236 -8.456 -8.822 1.00 0.00 H ATOM 1385 N ASN A 169 -1.624 -5.860 -10.927 1.00 14.69 N ATOM 1386 CA ASN A 169 -1.826 -5.111 -12.158 1.00 14.55 C ATOM 1387 C ASN A 169 -3.244 -4.869 -12.505 1.00 15.79 C ATOM 1388 O ASN A 169 -3.545 -4.110 -13.456 1.00 19.30 O ATOM 1389 CB ASN A 169 -1.007 -5.747 -13.231 1.00 16.00 C ATOM 1390 CG ASN A 169 0.328 -5.109 -13.337 1.00 15.31 C ATOM 1391 OD1 ASN A 169 0.493 -3.885 -13.102 1.00 17.98 O ATOM 1392 ND2 ASN A 169 1.290 -5.914 -13.671 1.00 17.22 N ATOM 1393 HD22 ASN A 169 1.088 -6.918 -13.853 1.00 0.00 H ATOM 1394 HD21 ASN A 169 2.262 -5.555 -13.757 1.00 0.00 H ATOM 1395 H ASN A 169 -1.430 -6.878 -11.013 1.00 0.00 H ATOM 1396 N ARG A 170 -4.212 -5.503 -11.840 1.00 16.60 N ATOM 1397 CA ARG A 170 -5.660 -5.310 -12.254 1.00 17.89 C ATOM 1398 C ARG A 170 -6.031 -3.852 -12.123 1.00 21.39 C ATOM 1399 O ARG A 170 -5.460 -3.102 -11.328 1.00 20.22 O ATOM 1400 CB ARG A 170 -6.589 -6.172 -11.406 1.00 21.34 C ATOM 1401 CG ARG A 170 -6.420 -7.622 -11.672 1.00 23.77 C ATOM 1402 H ARG A 170 -3.976 -6.126 -11.042 1.00 0.00 H ATOM 1403 N ARG A 170A -7.073 -3.490 -12.910 1.00 26.00 N ATOM 1404 CA ARG A 170A -7.589 -2.102 -12.926 1.00 28.58 C ATOM 1405 C ARG A 170A -7.940 -1.676 -11.494 1.00 32.58 C ATOM 1406 O ARG A 170A -7.700 -0.524 -11.090 1.00 30.37 O ATOM 1407 CB ARG A 170A -8.845 -2.018 -13.812 1.00 26.39 C ATOM 1408 H ARG A 170A -7.522 -4.205 -13.518 1.00 0.00 H ATOM 1409 N THR A 170B -8.510 -2.636 -10.744 1.00 29.16 N ATOM 1410 CA THR A 170B -8.867 -2.409 -9.312 1.00 31.99 C ATOM 1411 C THR A 170B -7.696 -2.088 -8.339 1.00 28.01 C ATOM 1412 O THR A 170B -7.898 -1.443 -7.285 1.00 29.54 O ATOM 1413 CB THR A 170B -9.656 -3.606 -8.741 1.00 31.88 C ATOM 1414 OG1 THR A 170B -8.904 -4.799 -8.908 1.00 28.86 O ATOM 1415 CG2 THR A 170B -11.005 -3.715 -9.428 1.00 33.52 C ATOM 1416 HG1 THR A 170B -8.042 -4.714 -8.428 1.00 0.00 H ATOM 1417 H THR A 170B -8.708 -3.562 -11.173 1.00 0.00 H ATOM 1418 N HIS A 171 -6.518 -2.544 -8.725 1.00 23.85 N ATOM 1419 CA HIS A 171 -5.318 -2.447 -7.923 1.00 18.04 C ATOM 1420 C HIS A 171 -4.466 -1.363 -8.556 1.00 19.18 C ATOM 1421 O HIS A 171 -4.809 -0.180 -8.435 1.00 24.04 O ATOM 1422 CB HIS A 171 -4.675 -3.820 -7.765 1.00 17.40 C ATOM 1423 CG HIS A 171 -5.468 -4.761 -6.928 1.00 18.40 C ATOM 1424 ND1 HIS A 171 -6.695 -5.247 -7.264 1.00 22.19 N ATOM 1425 CD2 HIS A 171 -5.163 -5.347 -5.739 1.00 20.42 C ATOM 1426 CE1 HIS A 171 -7.153 -6.059 -6.329 1.00 20.97 C ATOM 1427 NE2 HIS A 171 -6.236 -6.131 -5.376 1.00 21.62 N ATOM 1428 H HIS A 171 -6.449 -2.998 -9.658 1.00 0.00 H ATOM 1429 N HIS A 172 -3.305 -1.721 -9.098 1.00 17.88 N ATOM 1430 CA HIS A 172 -2.369 -0.694 -9.617 1.00 19.25 C ATOM 1431 C HIS A 172 -2.408 -0.526 -11.167 1.00 21.17 C ATOM 1432 O HIS A 172 -1.532 0.186 -11.651 1.00 22.94 O ATOM 1433 CB HIS A 172 -0.953 -0.942 -9.141 1.00 17.76 C ATOM 1434 CG HIS A 172 -0.809 -0.685 -7.675 1.00 16.12 C ATOM 1435 ND1 HIS A 172 -1.162 0.530 -7.126 1.00 17.53 N ATOM 1436 CD2 HIS A 172 -0.270 -1.421 -6.642 1.00 15.10 C ATOM 1437 CE1 HIS A 172 -0.867 0.503 -5.839 1.00 18.08 C ATOM 1438 NE2 HIS A 172 -0.343 -0.663 -5.516 1.00 17.35 N ATOM 1439 H HIS A 172 -3.052 -2.728 -9.158 1.00 0.00 H ATOM 1440 N ASP A 173 -3.355 -1.175 -11.805 1.00 19.44 N ATOM 1441 CA ASP A 173 -3.795 -0.820 -13.163 1.00 22.50 C ATOM 1442 C ASP A 173 -2.608 -0.776 -14.182 1.00 21.87 C ATOM 1443 O ASP A 173 -2.363 0.218 -14.826 1.00 27.67 O ATOM 1444 CB ASP A 173 -4.593 0.494 -13.132 1.00 25.88 C ATOM 1445 CG ASP A 173 -5.353 0.804 -14.430 1.00 29.62 C ATOM 1446 OD1 ASP A 173 -5.541 -0.172 -15.149 1.00 29.55 O ATOM 1447 OD2 ASP A 173 -5.697 1.997 -14.703 1.00 39.29 O ATOM 1448 H ASP A 173 -3.815 -1.977 -11.328 1.00 0.00 H ATOM 1449 N GLY A 174 -1.859 -1.832 -14.233 1.00 18.11 N ATOM 1450 CA GLY A 174 -0.751 -2.049 -15.184 1.00 20.06 C ATOM 1451 C GLY A 174 0.551 -1.318 -14.890 1.00 21.37 C ATOM 1452 O GLY A 174 1.495 -1.452 -15.611 1.00 24.22 O ATOM 1453 H GLY A 174 -2.055 -2.589 -13.547 1.00 0.00 H ATOM 1454 N ALA A 175 0.686 -0.746 -13.698 1.00 21.61 N ATOM 1455 CA ALA A 175 1.916 -0.001 -13.388 1.00 24.01 C ATOM 1456 C ALA A 175 3.031 -0.906 -12.868 1.00 21.70 C ATOM 1457 O ALA A 175 4.169 -0.455 -12.574 1.00 21.68 O ATOM 1458 CB ALA A 175 1.592 1.127 -12.400 1.00 24.91 C ATOM 1459 H ALA A 175 -0.072 -0.824 -12.990 1.00 0.00 H ATOM 1460 N ILE A 176 2.739 -2.163 -12.553 1.00 15.68 N ATOM 1461 CA ILE A 176 3.718 -3.040 -11.944 1.00 16.22 C ATOM 1462 C ILE A 176 4.529 -3.736 -13.009 1.00 19.28 C ATOM 1463 O ILE A 176 4.056 -4.709 -13.584 1.00 19.93 O ATOM 1464 CB ILE A 176 3.120 -4.030 -10.935 1.00 17.09 C ATOM 1465 CG1 ILE A 176 2.078 -3.323 -9.981 1.00 15.41 C ATOM 1466 CG2 ILE A 176 4.198 -4.755 -10.166 1.00 16.15 C ATOM 1467 CD1 ILE A 176 2.714 -2.154 -9.199 1.00 17.68 C ATOM 1468 H ILE A 176 1.784 -2.526 -12.748 1.00 0.00 H ATOM 1469 N THR A 177 5.713 -3.195 -13.289 1.00 14.02 N ATOM 1470 CA THR A 177 6.640 -3.753 -14.270 1.00 16.44 C ATOM 1471 C THR A 177 7.297 -5.007 -13.726 1.00 13.33 C ATOM 1472 O THR A 177 7.232 -5.336 -12.492 1.00 14.21 O ATOM 1473 CB THR A 177 7.759 -2.729 -14.623 1.00 14.73 C ATOM 1474 OG1 THR A 177 8.613 -2.643 -13.461 1.00 15.34 O ATOM 1475 CG2 THR A 177 7.165 -1.334 -15.008 1.00 18.32 C ATOM 1476 HG1 THR A 177 9.345 -2.000 -13.637 1.00 0.00 H ATOM 1477 H THR A 177 5.992 -2.330 -12.783 1.00 0.00 H ATOM 1478 N GLU A 178 8.117 -5.670 -14.518 1.00 14.41 N ATOM 1479 CA GLU A 178 8.846 -6.831 -14.116 1.00 14.46 C ATOM 1480 C GLU A 178 9.863 -6.510 -13.028 1.00 14.71 C ATOM 1481 O GLU A 178 10.454 -7.418 -12.402 1.00 15.92 O ATOM 1482 CB GLU A 178 9.531 -7.553 -15.251 1.00 19.77 C ATOM 1483 CG GLU A 178 10.668 -6.873 -15.930 1.00 24.96 C ATOM 1484 CD GLU A 178 11.460 -7.903 -16.760 1.00 34.73 C ATOM 1485 OE1 GLU A 178 10.775 -8.612 -17.547 1.00 42.27 O ATOM 1486 OE2 GLU A 178 12.742 -8.033 -16.577 1.00 26.85 O ATOM 1487 H GLU A 178 8.240 -5.328 -15.492 1.00 0.00 H ATOM 1488 N ARG A 179 10.231 -5.252 -12.907 1.00 13.30 N ATOM 1489 CA ARG A 179 11.264 -4.825 -11.956 1.00 11.17 C ATOM 1490 C ARG A 179 10.729 -4.474 -10.587 1.00 11.82 C ATOM 1491 O ARG A 179 11.513 -4.157 -9.689 1.00 11.89 O ATOM 1492 CB ARG A 179 12.065 -3.627 -12.537 1.00 12.48 C ATOM 1493 CG ARG A 179 12.446 -3.849 -14.107 1.00 14.26 C ATOM 1494 CD ARG A 179 13.409 -2.835 -14.549 1.00 14.76 C ATOM 1495 NE ARG A 179 14.812 -3.153 -14.225 1.00 13.82 N ATOM 1496 CZ ARG A 179 15.867 -2.399 -14.567 1.00 14.24 C ATOM 1497 NH1 ARG A 179 15.716 -1.403 -15.386 1.00 18.22 N ATOM 1498 NH2 ARG A 179 17.068 -2.739 -14.292 1.00 16.48 N ATOM 1499 HE ARG A 179 14.997 -4.027 -13.692 1.00 0.00 H ATOM 1500 HH12 ARG A 179 16.535 -0.819 -15.651 1.00 0.00 H ATOM 1501 HH11 ARG A 179 14.776 -1.189 -15.777 1.00 0.00 H ATOM 1502 HH22 ARG A 179 17.860 -2.126 -14.575 1.00 0.00 H ATOM 1503 HH21 ARG A 179 17.254 -3.628 -13.786 1.00 0.00 H ATOM 1504 H ARG A 179 9.774 -4.536 -13.506 1.00 0.00 H ATOM 1505 N LEU A 180 9.416 -4.609 -10.429 1.00 10.95 N ATOM 1506 CA LEU A 180 8.705 -4.328 -9.155 1.00 10.95 C ATOM 1507 C LEU A 180 7.998 -5.592 -8.766 1.00 12.32 C ATOM 1508 O LEU A 180 7.688 -6.504 -9.508 1.00 12.98 O ATOM 1509 CB LEU A 180 7.642 -3.239 -9.454 1.00 12.92 C ATOM 1510 CG LEU A 180 8.231 -1.908 -9.821 1.00 11.63 C ATOM 1511 CD1 LEU A 180 7.105 -0.952 -10.250 1.00 14.37 C ATOM 1512 CD2 LEU A 180 9.061 -1.286 -8.762 1.00 13.03 C ATOM 1513 H LEU A 180 8.854 -4.930 -11.244 1.00 0.00 H ATOM 1514 N MET A 181 7.681 -5.619 -7.461 1.00 10.65 N ATOM 1515 CA MET A 181 6.921 -6.664 -6.864 1.00 11.70 C ATOM 1516 C MET A 181 5.897 -6.083 -5.863 1.00 10.38 C ATOM 1517 O MET A 181 6.159 -4.943 -5.367 1.00 11.99 O ATOM 1518 CB MET A 181 7.731 -7.779 -6.191 1.00 13.45 C ATOM 1519 CG MET A 181 8.504 -7.286 -4.978 1.00 13.07 C ATOM 1520 SD MET A 181 9.646 -8.488 -4.263 1.00 14.64 S ATOM 1521 CE MET A 181 8.450 -9.653 -3.508 1.00 15.73 C ATOM 1522 H MET A 181 8.007 -4.838 -6.857 1.00 0.00 H ATOM 1523 N CYS A 182 4.823 -6.806 -5.586 1.00 10.22 N ATOM 1524 CA CYS A 182 3.864 -6.283 -4.616 1.00 10.30 C ATOM 1525 C CYS A 182 3.730 -7.264 -3.452 1.00 10.84 C ATOM 1526 O CYS A 182 3.996 -8.440 -3.527 1.00 11.54 O ATOM 1527 CB CYS A 182 2.478 -6.237 -5.239 1.00 13.69 C ATOM 1528 SG CYS A 182 2.444 -5.154 -6.696 1.00 15.45 S ATOM 1529 H CYS A 182 4.666 -7.724 -6.048 1.00 0.00 H ATOM 1530 N ALA A 183 3.262 -6.675 -2.324 1.00 10.86 N ATOM 1531 CA ALA A 183 2.853 -7.463 -1.178 1.00 11.19 C ATOM 1532 C ALA A 183 1.503 -7.037 -0.728 1.00 11.67 C ATOM 1533 O ALA A 183 1.093 -5.924 -0.982 1.00 12.55 O ATOM 1534 CB ALA A 183 3.905 -7.411 -0.044 1.00 10.48 C ATOM 1535 H ALA A 183 3.195 -5.638 -2.280 1.00 0.00 H ATOM 1536 N GLU A 184 0.772 -7.916 -0.061 1.00 11.85 N ATOM 1537 CA GLU A 184 -0.525 -7.509 0.437 1.00 13.01 C ATOM 1538 C GLU A 184 -0.467 -6.302 1.391 1.00 13.09 C ATOM 1539 O GLU A 184 0.511 -6.161 2.117 1.00 14.93 O ATOM 1540 CB GLU A 184 -1.218 -8.724 1.133 1.00 14.90 C ATOM 1541 CG GLU A 184 -1.504 -9.897 0.188 1.00 14.14 C ATOM 1542 CD GLU A 184 -2.288 -11.013 0.805 1.00 18.34 C ATOM 1543 OE1 GLU A 184 -2.772 -10.789 1.946 1.00 22.67 O ATOM 1544 OE2 GLU A 184 -2.408 -12.103 0.187 1.00 17.00 O ATOM 1545 H GLU A 184 1.123 -8.881 0.102 1.00 0.00 H ATOM 1546 N SER A 185 -1.576 -5.605 1.400 1.00 14.19 N ATOM 1547 CA SER A 185 -1.691 -4.407 2.160 1.00 14.29 C ATOM 1548 C SER A 185 -3.005 -4.382 2.936 1.00 18.03 C ATOM 1549 O SER A 185 -3.556 -3.290 3.174 1.00 22.90 O ATOM 1550 CB SER A 185 -1.627 -3.246 1.244 1.00 16.91 C ATOM 1551 OG SER A 185 -2.589 -3.466 0.188 1.00 17.64 O ATOM 1552 HG SER A 185 -2.567 -2.702 -0.441 1.00 0.00 H ATOM 1553 H SER A 185 -2.389 -5.934 0.841 1.00 0.00 H ATOM 1554 N ASN A 186 -3.533 -5.532 3.366 1.00 16.08 N ATOM 1555 CA ASN A 186 -4.801 -5.559 4.014 1.00 22.23 C ATOM 1556 C ASN A 186 -4.554 -5.370 5.543 1.00 20.22 C ATOM 1557 O ASN A 186 -4.112 -6.336 6.229 1.00 26.42 O ATOM 1558 CB ASN A 186 -5.519 -6.795 3.801 1.00 22.48 C ATOM 1559 CG ASN A 186 -6.847 -6.829 4.509 1.00 27.80 C ATOM 1560 OD1 ASN A 186 -7.247 -7.876 4.843 1.00 41.73 O ATOM 1561 ND2 ASN A 186 -7.541 -5.693 4.696 1.00 26.55 N ATOM 1562 HD22 ASN A 186 -7.145 -4.784 4.382 1.00 0.00 H ATOM 1563 HD21 ASN A 186 -8.474 -5.723 5.154 1.00 0.00 H ATOM 1564 H ASN A 186 -3.010 -6.420 3.225 1.00 0.00 H ATOM 1565 N ARG A 187 -4.719 -4.120 5.995 1.00 23.46 N ATOM 1566 CA ARG A 187 -4.477 -3.646 7.350 1.00 24.21 C ATOM 1567 C ARG A 187 -2.993 -3.635 7.720 1.00 19.44 C ATOM 1568 O ARG A 187 -2.495 -2.568 8.101 1.00 29.45 O ATOM 1569 CB ARG A 187 -5.291 -4.467 8.382 1.00 24.55 C ATOM 1570 CG ARG A 187 -6.760 -4.304 8.196 1.00 30.96 C ATOM 1571 CD ARG A 187 -7.632 -5.134 9.159 1.00 34.99 C ATOM 1572 NE ARG A 187 -7.429 -6.600 8.933 1.00 46.16 N ATOM 1573 CZ ARG A 187 -8.114 -7.388 8.084 1.00 49.50 C ATOM 1574 NH1 ARG A 187 -9.138 -6.918 7.347 1.00 58.24 N ATOM 1575 NH2 ARG A 187 -7.795 -8.668 7.975 1.00 42.21 N ATOM 1576 HE ARG A 187 -6.680 -7.057 9.491 1.00 0.00 H ATOM 1577 HH12 ARG A 187 -9.647 -7.553 6.700 1.00 0.00 H ATOM 1578 HH11 ARG A 187 -9.420 -5.920 7.425 1.00 0.00 H ATOM 1579 HH22 ARG A 187 -8.321 -9.281 7.320 1.00 0.00 H ATOM 1580 HH21 ARG A 187 -7.018 -9.061 8.544 1.00 0.00 H ATOM 1581 H ARG A 187 -5.054 -3.416 5.307 1.00 0.00 H ATOM 1582 N ARG A 188 -2.320 -4.808 7.648 1.00 22.02 N ATOM 1583 CA ARG A 188 -0.897 -4.931 7.877 1.00 20.23 C ATOM 1584 C ARG A 188 -0.203 -4.327 6.644 1.00 19.15 C ATOM 1585 O ARG A 188 -0.554 -4.715 5.517 1.00 18.80 O ATOM 1586 CB ARG A 188 -0.487 -6.433 8.100 1.00 22.95 C ATOM 1587 CG ARG A 188 -1.010 -7.197 9.436 1.00 25.33 C ATOM 1588 CD ARG A 188 -1.396 -8.642 9.051 1.00 37.36 C ATOM 1589 NE ARG A 188 -2.131 -9.140 10.245 1.00 53.13 N ATOM 1590 CZ ARG A 188 -2.204 -10.403 10.667 1.00 55.09 C ATOM 1591 NH1 ARG A 188 -1.675 -11.423 9.961 1.00 76.08 N ATOM 1592 NH2 ARG A 188 -2.818 -10.674 11.819 1.00 55.71 N ATOM 1593 HE ARG A 188 -2.640 -8.430 10.809 1.00 0.00 H ATOM 1594 HH12 ARG A 188 -1.749 -12.397 10.319 1.00 0.00 H ATOM 1595 HH11 ARG A 188 -1.193 -11.236 9.059 1.00 0.00 H ATOM 1596 HH22 ARG A 188 -2.880 -11.656 12.157 1.00 0.00 H ATOM 1597 HH21 ARG A 188 -3.235 -9.904 12.380 1.00 0.00 H ATOM 1598 H ARG A 188 -2.856 -5.668 7.415 1.00 0.00 H ATOM 1599 N ASP A 189 0.745 -3.454 6.799 1.00 17.02 N ATOM 1600 CA ASP A 189 1.376 -2.820 5.600 1.00 20.06 C ATOM 1601 C ASP A 189 2.620 -2.046 5.964 1.00 19.39 C ATOM 1602 O ASP A 189 2.833 -1.686 7.158 1.00 21.21 O ATOM 1603 CB ASP A 189 0.406 -1.876 4.966 1.00 19.19 C ATOM 1604 CG ASP A 189 0.717 -1.489 3.476 1.00 18.47 C ATOM 1605 OD1 ASP A 189 1.568 -2.076 2.844 1.00 16.54 O ATOM 1606 OD2 ASP A 189 -0.087 -0.658 2.977 1.00 20.09 O ATOM 1607 H ASP A 189 1.065 -3.196 7.754 1.00 0.00 H ATOM 1608 N SER A 190 3.440 -1.777 4.996 1.00 18.38 N ATOM 1609 CA SER A 190 4.441 -0.720 5.055 1.00 18.44 C ATOM 1610 C SER A 190 3.829 0.647 4.720 1.00 17.30 C ATOM 1611 O SER A 190 2.749 0.752 4.088 1.00 18.71 O ATOM 1612 CB SER A 190 5.642 -1.077 4.152 1.00 19.38 C ATOM 1613 OG SER A 190 5.251 -1.302 2.791 1.00 22.77 O ATOM 1614 HG SER A 190 4.828 -0.483 2.431 1.00 0.00 H ATOM 1615 H SER A 190 3.380 -2.348 4.129 1.00 0.00 H ATOM 1616 N CYS A 191 4.435 1.724 5.241 1.00 15.40 N ATOM 1617 CA CYS A 191 3.854 3.030 5.059 1.00 14.88 C ATOM 1618 C CYS A 191 4.927 4.099 4.993 1.00 12.04 C ATOM 1619 O CYS A 191 6.116 3.794 4.905 1.00 13.69 O ATOM 1620 CB CYS A 191 2.777 3.228 6.120 1.00 18.48 C ATOM 1621 SG CYS A 191 1.526 4.522 5.776 1.00 20.31 S ATOM 1622 H CYS A 191 5.321 1.617 5.775 1.00 0.00 H ATOM 1623 N LYS A 192 4.454 5.349 5.088 1.00 12.35 N ATOM 1624 CA LYS A 192 5.360 6.499 5.086 1.00 12.66 C ATOM 1625 C LYS A 192 6.475 6.337 6.097 1.00 11.80 C ATOM 1626 O LYS A 192 6.253 6.015 7.318 1.00 14.69 O ATOM 1627 CB LYS A 192 4.523 7.740 5.400 1.00 15.38 C ATOM 1628 CG LYS A 192 5.260 9.059 5.366 1.00 15.69 C ATOM 1629 CD LYS A 192 4.355 10.170 5.388 1.00 16.46 C ATOM 1630 CE LYS A 192 4.992 11.357 5.013 1.00 17.45 C ATOM 1631 NZ LYS A 192 4.088 12.475 5.024 1.00 20.47 N ATOM 1632 HZ1 LYS A 192 3.310 12.297 4.357 1.00 0.00 H ATOM 1633 HZ2 LYS A 192 3.703 12.599 5.982 1.00 0.00 H ATOM 1634 HZ3 LYS A 192 4.599 13.335 4.740 1.00 0.00 H ATOM 1635 H LYS A 192 3.429 5.505 5.164 1.00 0.00 H ATOM 1636 N GLY A 193 7.713 6.577 5.670 1.00 10.23 N ATOM 1637 CA GLY A 193 8.878 6.348 6.480 1.00 10.53 C ATOM 1638 C GLY A 193 9.454 4.974 6.516 1.00 10.52 C ATOM 1639 O GLY A 193 10.577 4.785 6.973 1.00 11.76 O ATOM 1640 H GLY A 193 7.843 6.947 4.707 1.00 0.00 H ATOM 1641 N ASP A 194 8.701 3.961 6.029 1.00 11.11 N ATOM 1642 CA ASP A 194 9.242 2.669 5.756 1.00 10.64 C ATOM 1643 C ASP A 194 9.924 2.550 4.349 1.00 10.44 C ATOM 1644 O ASP A 194 10.655 1.625 4.108 1.00 10.06 O ATOM 1645 CB ASP A 194 8.169 1.546 5.944 1.00 11.32 C ATOM 1646 CG ASP A 194 7.527 1.504 7.343 1.00 12.85 C ATOM 1647 OD1 ASP A 194 8.336 1.568 8.302 1.00 14.06 O ATOM 1648 OD2 ASP A 194 6.267 1.419 7.368 1.00 15.76 O ATOM 1649 H ASP A 194 7.691 4.130 5.847 1.00 0.00 H ATOM 1650 N SER A 195 9.552 3.555 3.496 1.00 11.10 N ATOM 1651 CA SER A 195 10.217 3.753 2.186 1.00 10.63 C ATOM 1652 C SER A 195 11.695 3.516 2.270 1.00 10.38 C ATOM 1653 O SER A 195 12.319 4.052 3.221 1.00 11.20 O ATOM 1654 CB SER A 195 9.921 5.142 1.730 1.00 13.48 C ATOM 1655 OG SER A 195 10.073 6.106 2.707 1.00 13.89 O ATOM 1656 HG SER A 195 11.008 6.100 3.032 1.00 0.00 H ATOM 1657 H SER A 195 8.782 4.196 3.775 1.00 0.00 H ATOM 1658 N GLY A 196 12.328 2.754 1.363 1.00 8.28 N ATOM 1659 CA GLY A 196 13.758 2.533 1.409 1.00 8.34 C ATOM 1660 C GLY A 196 14.195 1.355 2.190 1.00 8.67 C ATOM 1661 O GLY A 196 15.295 0.885 2.044 1.00 8.73 O ATOM 1662 H GLY A 196 11.774 2.309 0.604 1.00 0.00 H ATOM 1663 N GLY A 197 13.263 0.814 3.033 1.00 8.22 N ATOM 1664 CA GLY A 197 13.606 -0.341 3.843 1.00 9.85 C ATOM 1665 C GLY A 197 13.486 -1.678 3.176 1.00 9.48 C ATOM 1666 O GLY A 197 13.071 -1.745 1.989 1.00 9.15 O ATOM 1667 H GLY A 197 12.311 1.229 3.093 1.00 0.00 H ATOM 1668 N PRO A 198 13.919 -2.736 3.809 1.00 10.41 N ATOM 1669 CA PRO A 198 14.011 -4.018 3.174 1.00 10.96 C ATOM 1670 C PRO A 198 12.802 -4.860 3.267 1.00 11.77 C ATOM 1671 O PRO A 198 12.097 -4.928 4.303 1.00 16.54 O ATOM 1672 CB PRO A 198 15.143 -4.667 4.038 1.00 15.67 C ATOM 1673 CG PRO A 198 15.010 -4.081 5.316 1.00 17.74 C ATOM 1674 CD PRO A 198 14.476 -2.680 5.183 1.00 15.39 C ATOM 1675 N LEU A 199 12.488 -5.591 2.155 1.00 10.73 N ATOM 1676 CA LEU A 199 11.512 -6.684 2.156 1.00 9.81 C ATOM 1677 C LEU A 199 12.333 -7.914 2.064 1.00 10.24 C ATOM 1678 O LEU A 199 13.005 -8.172 1.081 1.00 11.72 O ATOM 1679 CB LEU A 199 10.504 -6.521 0.996 1.00 11.92 C ATOM 1680 CG LEU A 199 9.464 -7.617 0.960 1.00 13.21 C ATOM 1681 CD1 LEU A 199 8.500 -7.487 2.130 1.00 16.75 C ATOM 1682 CD2 LEU A 199 8.697 -7.599 -0.350 1.00 20.01 C ATOM 1683 H LEU A 199 12.967 -5.359 1.262 1.00 0.00 H ATOM 1684 N VAL A 200 12.343 -8.774 3.121 1.00 10.74 N ATOM 1685 CA VAL A 200 13.186 -9.915 3.244 1.00 10.52 C ATOM 1686 C VAL A 200 12.385 -11.193 3.175 1.00 12.81 C ATOM 1687 O VAL A 200 11.367 -11.365 3.853 1.00 14.52 O ATOM 1688 CB VAL A 200 14.002 -9.790 4.616 1.00 12.94 C ATOM 1689 CG1 VAL A 200 15.067 -10.917 4.733 1.00 15.50 C ATOM 1690 CG2 VAL A 200 14.635 -8.428 4.729 1.00 13.02 C ATOM 1691 H VAL A 200 11.682 -8.582 3.900 1.00 0.00 H ATOM 1692 N CYS A 201 12.806 -12.122 2.243 1.00 11.92 N ATOM 1693 CA CYS A 201 12.165 -13.391 2.039 1.00 14.53 C ATOM 1694 C CYS A 201 13.184 -14.489 2.156 1.00 16.64 C ATOM 1695 O CYS A 201 14.234 -14.385 1.564 1.00 16.56 O ATOM 1696 CB CYS A 201 11.488 -13.343 0.641 1.00 17.73 C ATOM 1697 SG CYS A 201 10.493 -11.929 0.218 1.00 17.52 S ATOM 1698 H CYS A 201 13.633 -11.890 1.657 1.00 0.00 H ATOM 1699 N GLY A 202 12.929 -15.492 3.000 1.00 21.42 N ATOM 1700 CA GLY A 202 13.887 -16.565 3.232 1.00 23.99 C ATOM 1701 C GLY A 202 15.265 -16.065 3.626 1.00 23.08 C ATOM 1702 O GLY A 202 16.261 -16.677 3.294 1.00 24.36 O ATOM 1703 H GLY A 202 12.021 -15.508 3.506 1.00 0.00 H ATOM 1704 N GLY A 207 15.386 -15.008 4.434 1.00 22.22 N ATOM 1705 CA GLY A 207 16.655 -14.518 4.876 1.00 19.48 C ATOM 1706 C GLY A 207 17.460 -13.775 3.850 1.00 17.10 C ATOM 1707 O GLY A 207 18.631 -13.505 4.061 1.00 19.27 O ATOM 1708 H GLY A 207 14.524 -14.522 4.754 1.00 0.00 H ATOM 1709 N VAL A 208 16.821 -13.468 2.697 1.00 13.22 N ATOM 1710 CA VAL A 208 17.520 -12.751 1.603 1.00 12.62 C ATOM 1711 C VAL A 208 16.724 -11.468 1.287 1.00 10.18 C ATOM 1712 O VAL A 208 15.526 -11.479 1.243 1.00 12.59 O ATOM 1713 CB VAL A 208 17.753 -13.649 0.391 1.00 13.34 C ATOM 1714 CG1 VAL A 208 18.351 -12.950 -0.762 1.00 14.75 C ATOM 1715 CG2 VAL A 208 18.626 -14.845 0.766 1.00 15.55 C ATOM 1716 H VAL A 208 15.824 -13.739 2.576 1.00 0.00 H ATOM 1717 N LEU A 209 17.452 -10.400 1.043 1.00 10.76 N ATOM 1718 CA LEU A 209 16.829 -9.164 0.587 1.00 10.12 C ATOM 1719 C LEU A 209 16.227 -9.364 -0.796 1.00 11.75 C ATOM 1720 O LEU A 209 16.983 -9.757 -1.775 1.00 12.39 O ATOM 1721 CB LEU A 209 17.839 -8.042 0.504 1.00 11.47 C ATOM 1722 CG LEU A 209 17.325 -6.683 0.106 1.00 10.94 C ATOM 1723 CD1 LEU A 209 16.273 -6.191 1.113 1.00 11.21 C ATOM 1724 CD2 LEU A 209 18.407 -5.692 -0.123 1.00 11.84 C ATOM 1725 H LEU A 209 18.483 -10.438 1.177 1.00 0.00 H ATOM 1726 N GLU A 210 14.940 -9.168 -0.931 1.00 10.12 N ATOM 1727 CA GLU A 210 14.281 -9.296 -2.242 1.00 11.17 C ATOM 1728 C GLU A 210 13.789 -7.988 -2.752 1.00 10.82 C ATOM 1729 O GLU A 210 13.845 -7.737 -3.991 1.00 13.33 O ATOM 1730 CB GLU A 210 13.131 -10.215 -2.105 1.00 13.78 C ATOM 1731 CG GLU A 210 13.588 -11.624 -2.079 1.00 19.03 C ATOM 1732 CD GLU A 210 14.001 -12.317 -3.391 1.00 18.39 C ATOM 1733 OE1 GLU A 210 14.012 -11.647 -4.439 1.00 26.41 O ATOM 1734 OE2 GLU A 210 14.582 -13.305 -3.224 1.00 23.07 O ATOM 1735 H GLU A 210 14.372 -8.917 -0.097 1.00 0.00 H ATOM 1736 N GLY A 211 13.340 -7.111 -1.870 1.00 10.70 N ATOM 1737 CA GLY A 211 12.761 -5.871 -2.317 1.00 10.55 C ATOM 1738 C GLY A 211 13.162 -4.655 -1.509 1.00 8.74 C ATOM 1739 O GLY A 211 13.574 -4.848 -0.322 1.00 10.26 O ATOM 1740 H GLY A 211 13.405 -7.317 -0.853 1.00 0.00 H ATOM 1741 N VAL A 212 13.005 -3.452 -1.988 1.00 9.13 N ATOM 1742 CA VAL A 212 13.194 -2.213 -1.303 1.00 8.01 C ATOM 1743 C VAL A 212 11.919 -1.456 -1.395 1.00 8.25 C ATOM 1744 O VAL A 212 11.319 -1.236 -2.473 1.00 9.76 O ATOM 1745 CB VAL A 212 14.354 -1.380 -1.901 1.00 10.15 C ATOM 1746 CG1 VAL A 212 14.422 -0.045 -1.255 1.00 11.14 C ATOM 1747 CG2 VAL A 212 15.672 -2.145 -1.768 1.00 11.99 C ATOM 1748 H VAL A 212 12.708 -3.388 -2.983 1.00 0.00 H ATOM 1749 N VAL A 213 11.318 -1.062 -0.243 1.00 9.23 N ATOM 1750 CA VAL A 213 10.046 -0.385 -0.202 1.00 8.48 C ATOM 1751 C VAL A 213 10.174 0.861 -1.106 1.00 8.60 C ATOM 1752 O VAL A 213 11.112 1.685 -0.963 1.00 9.04 O ATOM 1753 CB VAL A 213 9.709 0.047 1.254 1.00 9.09 C ATOM 1754 CG1 VAL A 213 8.293 0.604 1.269 1.00 10.89 C ATOM 1755 CG2 VAL A 213 9.758 -1.131 2.242 1.00 10.40 C ATOM 1756 H VAL A 213 11.801 -1.259 0.657 1.00 0.00 H ATOM 1757 N THR A 214 9.173 1.058 -1.969 1.00 7.90 N ATOM 1758 CA THR A 214 9.231 2.260 -2.790 1.00 9.32 C ATOM 1759 C THR A 214 8.953 3.506 -1.993 1.00 10.99 C ATOM 1760 O THR A 214 8.396 3.478 -0.863 1.00 12.13 O ATOM 1761 CB THR A 214 8.283 2.138 -3.985 1.00 10.78 C ATOM 1762 OG1 THR A 214 6.950 1.919 -3.555 1.00 11.94 O ATOM 1763 CG2 THR A 214 8.776 1.065 -4.970 1.00 12.82 C ATOM 1764 HG1 THR A 214 6.657 2.679 -2.993 1.00 0.00 H ATOM 1765 H THR A 214 8.387 0.382 -2.051 1.00 0.00 H ATOM 1766 N SER A 215 9.165 4.666 -2.595 1.00 11.49 N ATOM 1767 CA SER A 215 9.196 5.924 -1.884 1.00 13.03 C ATOM 1768 C SER A 215 8.268 6.969 -2.482 1.00 16.06 C ATOM 1769 O SER A 215 8.413 8.182 -2.124 1.00 19.33 O ATOM 1770 CB SER A 215 10.624 6.418 -1.692 1.00 14.91 C ATOM 1771 OG SER A 215 11.299 6.725 -2.951 1.00 17.21 O ATOM 1772 HG SER A 215 11.336 5.910 -3.512 1.00 0.00 H ATOM 1773 H SER A 215 9.316 4.672 -3.624 1.00 0.00 H ATOM 1774 N GLY A 216 7.322 6.548 -3.340 1.00 18.61 N ATOM 1775 CA GLY A 216 6.215 7.409 -3.749 1.00 21.69 C ATOM 1776 C GLY A 216 5.071 7.433 -2.703 1.00 19.43 C ATOM 1777 O GLY A 216 4.878 6.449 -1.933 1.00 21.57 O ATOM 1778 H GLY A 216 7.380 5.583 -3.723 1.00 0.00 H ATOM 1779 N SER A 217 4.294 8.504 -2.698 1.00 18.93 N ATOM 1780 CA SER A 217 3.146 8.586 -1.772 1.00 19.75 C ATOM 1781 C SER A 217 2.123 7.564 -2.203 1.00 20.28 C ATOM 1782 O SER A 217 1.912 7.337 -3.399 1.00 27.79 O ATOM 1783 CB SER A 217 2.501 9.938 -1.785 1.00 16.68 C ATOM 1784 OG SER A 217 3.556 10.809 -1.375 1.00 18.09 O ATOM 1785 HG SER A 217 4.307 10.741 -2.017 1.00 0.00 H ATOM 1786 H SER A 217 4.492 9.291 -3.348 1.00 0.00 H ATOM 1787 N ARG A 218 1.408 7.004 -1.218 1.00 23.80 N ATOM 1788 CA ARG A 218 0.372 5.997 -1.375 1.00 23.62 C ATOM 1789 C ARG A 218 -0.480 5.813 -0.166 1.00 25.24 C ATOM 1790 O ARG A 218 -0.036 6.141 0.957 1.00 25.46 O ATOM 1791 CB ARG A 218 0.999 4.693 -1.783 1.00 24.73 C ATOM 1792 CG ARG A 218 2.041 4.187 -0.774 1.00 19.85 C ATOM 1793 CD ARG A 218 2.591 2.804 -1.094 1.00 21.63 C ATOM 1794 NE ARG A 218 1.651 1.753 -0.907 1.00 19.18 N ATOM 1795 CZ ARG A 218 1.421 1.109 0.266 1.00 17.04 C ATOM 1796 NH1 ARG A 218 2.033 1.482 1.386 1.00 15.44 N ATOM 1797 NH2 ARG A 218 0.460 0.172 0.319 1.00 15.98 N ATOM 1798 HE ARG A 218 1.096 1.454 -1.734 1.00 0.00 H ATOM 1799 HH12 ARG A 218 1.844 0.976 2.275 1.00 0.00 H ATOM 1800 HH11 ARG A 218 2.701 2.279 1.373 1.00 0.00 H ATOM 1801 HH22 ARG A 218 0.272 -0.330 1.210 1.00 0.00 H ATOM 1802 HH21 ARG A 218 -0.096 -0.051 -0.531 1.00 0.00 H ATOM 1803 H ARG A 218 1.614 7.320 -0.249 1.00 0.00 H ATOM 1804 N VAL A 219 -1.718 5.298 -0.352 1.00 26.22 N ATOM 1805 CA VAL A 219 -2.468 4.867 0.809 1.00 27.68 C ATOM 1806 C VAL A 219 -1.823 3.683 1.414 1.00 20.95 C ATOM 1807 O VAL A 219 -1.323 2.858 0.630 1.00 21.49 O ATOM 1808 CB VAL A 219 -3.957 4.377 0.500 1.00 29.12 C ATOM 1809 CG1 VAL A 219 -4.861 5.409 0.602 1.00 28.07 C ATOM 1810 CG2 VAL A 219 -4.136 3.718 -0.880 1.00 35.19 C ATOM 1811 H VAL A 219 -2.121 5.214 -1.307 1.00 0.00 H ATOM 1812 N CYS A 220 -2.031 3.506 2.723 1.00 23.28 N ATOM 1813 CA CYS A 220 -1.437 2.360 3.432 1.00 20.03 C ATOM 1814 C CYS A 220 -2.635 1.622 4.031 1.00 20.07 C ATOM 1815 O CYS A 220 -3.614 2.239 4.533 1.00 26.20 O ATOM 1816 CB CYS A 220 -0.500 2.742 4.587 1.00 19.85 C ATOM 1817 SG CYS A 220 0.738 3.873 3.997 1.00 23.44 S ATOM 1818 H CYS A 220 -2.619 4.186 3.246 1.00 0.00 H ATOM 1819 N GLY A 221 -2.443 0.315 4.085 1.00 21.74 N ATOM 1820 CA GLY A 221 -3.413 -0.561 4.789 1.00 21.51 C ATOM 1821 C GLY A 221 -4.687 -0.888 4.024 1.00 22.13 C ATOM 1822 O GLY A 221 -5.541 -1.506 4.567 1.00 24.74 O ATOM 1823 H GLY A 221 -1.606 -0.103 3.631 1.00 0.00 H ATOM 1824 N ASN A 222 -4.765 -0.520 2.748 1.00 21.87 N ATOM 1825 CA ASN A 222 -5.899 -0.793 1.888 1.00 23.48 C ATOM 1826 C ASN A 222 -5.619 -1.915 0.920 1.00 19.98 C ATOM 1827 O ASN A 222 -4.687 -1.768 0.145 1.00 19.73 O ATOM 1828 CB ASN A 222 -6.252 0.461 1.088 1.00 23.72 C ATOM 1829 CG ASN A 222 -7.525 0.312 0.336 1.00 29.67 C ATOM 1830 OD1 ASN A 222 -7.784 -0.666 -0.335 1.00 25.37 O ATOM 1831 ND2 ASN A 222 -8.340 1.293 0.493 1.00 30.31 N ATOM 1832 HD22 ASN A 222 -8.067 2.107 1.079 1.00 0.00 H ATOM 1833 HD21 ASN A 222 -9.273 1.273 0.034 1.00 0.00 H ATOM 1834 H ASN A 222 -3.960 -0.003 2.341 1.00 0.00 H ATOM 1835 N ARG A 223 -6.346 -3.025 1.067 1.00 19.56 N ATOM 1836 CA ARG A 223 -6.054 -4.184 0.281 1.00 19.90 C ATOM 1837 C ARG A 223 -6.012 -3.970 -1.242 1.00 18.46 C ATOM 1838 O ARG A 223 -5.270 -4.675 -1.874 1.00 19.72 O ATOM 1839 CB ARG A 223 -6.925 -5.334 0.628 1.00 24.76 C ATOM 1840 CG ARG A 223 -8.308 -5.290 0.164 1.00 34.35 C ATOM 1841 CD ARG A 223 -8.757 -6.760 0.029 1.00 48.86 C ATOM 1842 NE ARG A 223 -9.091 -7.306 1.346 1.00 51.72 N ATOM 1843 CZ ARG A 223 -10.194 -6.971 2.003 1.00 58.80 C ATOM 1844 NH1 ARG A 223 -10.442 -7.514 3.183 1.00 72.09 N ATOM 1845 NH2 ARG A 223 -11.061 -6.101 1.469 1.00 63.08 N ATOM 1846 HE ARG A 223 -8.436 -7.985 1.785 1.00 0.00 H ATOM 1847 HH12 ARG A 223 -11.305 -7.256 3.703 1.00 0.00 H ATOM 1848 HH11 ARG A 223 -9.774 -8.199 3.591 1.00 0.00 H ATOM 1849 HH22 ARG A 223 -11.924 -5.842 1.988 1.00 0.00 H ATOM 1850 HH21 ARG A 223 -10.871 -5.685 0.535 1.00 0.00 H ATOM 1851 H ARG A 223 -7.126 -3.047 1.754 1.00 0.00 H ATOM 1852 N LYS A 223A -6.788 -3.030 -1.769 1.00 18.94 N ATOM 1853 CA LYS A 223A -6.783 -2.735 -3.182 1.00 21.75 C ATOM 1854 C LYS A 223A -5.646 -1.861 -3.660 1.00 22.44 C ATOM 1855 O LYS A 223A -5.586 -1.508 -4.850 1.00 22.17 O ATOM 1856 CB LYS A 223A -8.093 -2.153 -3.574 1.00 25.85 C ATOM 1857 CG LYS A 223A -9.279 -3.017 -3.171 1.00 33.05 C ATOM 1858 CD LYS A 223A -9.688 -3.832 -4.316 1.00 40.59 C ATOM 1859 CE LYS A 223A -11.136 -4.239 -4.248 1.00 45.96 C ATOM 1860 NZ LYS A 223A -11.244 -5.470 -5.120 1.00 67.31 N ATOM 1861 HZ1 LYS A 223A -10.959 -5.231 -6.091 1.00 0.00 H ATOM 1862 HZ2 LYS A 223A -10.620 -6.213 -4.747 1.00 0.00 H ATOM 1863 HZ3 LYS A 223A -12.227 -5.809 -5.119 1.00 0.00 H ATOM 1864 H LYS A 223A -7.419 -2.489 -1.144 1.00 0.00 H ATOM 1865 N LYS A 224 -4.749 -1.433 -2.771 1.00 16.84 N ATOM 1866 CA LYS A 224 -3.595 -0.623 -3.119 1.00 17.12 C ATOM 1867 C LYS A 224 -2.356 -1.245 -2.443 1.00 16.35 C ATOM 1868 O LYS A 224 -1.832 -0.757 -1.487 1.00 16.91 O ATOM 1869 CB LYS A 224 -3.833 0.834 -2.819 1.00 22.37 C ATOM 1870 CG LYS A 224 -4.942 1.550 -3.664 1.00 23.67 C ATOM 1871 CD LYS A 224 -4.534 1.759 -5.116 1.00 30.62 C ATOM 1872 CE LYS A 224 -5.658 2.092 -6.148 1.00 36.07 C ATOM 1873 NZ LYS A 224 -6.639 0.975 -6.242 1.00 31.38 N ATOM 1874 HZ1 LYS A 224 -6.149 0.110 -6.547 1.00 0.00 H ATOM 1875 HZ2 LYS A 224 -7.074 0.818 -5.311 1.00 0.00 H ATOM 1876 HZ3 LYS A 224 -7.376 1.220 -6.934 1.00 0.00 H ATOM 1877 H LYS A 224 -4.883 -1.694 -1.773 1.00 0.00 H ATOM 1878 N PRO A 225 -1.949 -2.388 -3.012 1.00 14.76 N ATOM 1879 CA PRO A 225 -0.817 -3.124 -2.470 1.00 12.66 C ATOM 1880 C PRO A 225 0.459 -2.387 -2.368 1.00 11.86 C ATOM 1881 O PRO A 225 0.671 -1.365 -3.047 1.00 12.94 O ATOM 1882 CB PRO A 225 -0.618 -4.254 -3.427 1.00 14.95 C ATOM 1883 CG PRO A 225 -1.963 -4.454 -4.142 1.00 15.36 C ATOM 1884 CD PRO A 225 -2.590 -3.115 -4.165 1.00 15.40 C ATOM 1885 N GLY A 226 1.265 -2.766 -1.347 1.00 11.04 N ATOM 1886 CA GLY A 226 2.576 -2.185 -1.287 1.00 11.43 C ATOM 1887 C GLY A 226 3.422 -2.586 -2.519 1.00 10.70 C ATOM 1888 O GLY A 226 3.274 -3.669 -2.992 1.00 11.19 O ATOM 1889 H GLY A 226 0.946 -3.452 -0.634 1.00 0.00 H ATOM 1890 N ILE A 227 4.303 -1.650 -2.892 1.00 11.12 N ATOM 1891 CA ILE A 227 5.146 -1.885 -4.057 1.00 11.01 C ATOM 1892 C ILE A 227 6.601 -1.815 -3.579 1.00 10.08 C ATOM 1893 O ILE A 227 6.985 -0.960 -2.707 1.00 11.61 O ATOM 1894 CB ILE A 227 4.889 -0.836 -5.138 1.00 12.91 C ATOM 1895 CG1 ILE A 227 3.411 -0.752 -5.471 1.00 15.66 C ATOM 1896 CG2 ILE A 227 5.772 -1.082 -6.323 1.00 15.40 C ATOM 1897 CD1 ILE A 227 3.142 0.358 -6.424 1.00 16.86 C ATOM 1898 H ILE A 227 4.385 -0.763 -2.355 1.00 0.00 H ATOM 1899 N TYR A 228 7.391 -2.744 -4.050 1.00 9.87 N ATOM 1900 CA TYR A 228 8.804 -2.923 -3.630 1.00 9.29 C ATOM 1901 C TYR A 228 9.646 -3.144 -4.882 1.00 8.80 C ATOM 1902 O TYR A 228 9.271 -3.895 -5.808 1.00 11.50 O ATOM 1903 CB TYR A 228 8.879 -4.169 -2.683 1.00 10.33 C ATOM 1904 CG TYR A 228 7.866 -4.119 -1.545 1.00 10.48 C ATOM 1905 CD1 TYR A 228 6.555 -4.429 -1.748 1.00 10.02 C ATOM 1906 CD2 TYR A 228 8.282 -3.696 -0.252 1.00 10.24 C ATOM 1907 CE1 TYR A 228 5.640 -4.361 -0.687 1.00 10.97 C ATOM 1908 CE2 TYR A 228 7.331 -3.602 0.776 1.00 12.09 C ATOM 1909 CZ TYR A 228 6.031 -3.922 0.571 1.00 11.94 C ATOM 1910 OH TYR A 228 5.112 -3.746 1.622 1.00 13.56 O ATOM 1911 HH TYR A 228 4.210 -4.022 1.320 1.00 0.00 H ATOM 1912 H TYR A 228 7.007 -3.397 -4.762 1.00 0.00 H ATOM 1913 N THR A 229 10.792 -2.475 -4.946 1.00 8.56 N ATOM 1914 CA THR A 229 11.667 -2.604 -6.100 1.00 8.87 C ATOM 1915 C THR A 229 12.443 -3.906 -5.972 1.00 9.01 C ATOM 1916 O THR A 229 13.027 -4.132 -4.897 1.00 10.44 O ATOM 1917 CB THR A 229 12.559 -1.386 -6.174 1.00 9.29 C ATOM 1918 OG1 THR A 229 11.837 -0.225 -6.218 1.00 10.27 O ATOM 1919 CG2 THR A 229 13.564 -1.496 -7.360 1.00 11.29 C ATOM 1920 HG1 THR A 229 11.253 -0.231 -7.018 1.00 0.00 H ATOM 1921 H THR A 229 11.067 -1.851 -4.161 1.00 0.00 H ATOM 1922 N ARG A 230 12.483 -4.716 -7.010 1.00 9.59 N ATOM 1923 CA ARG A 230 13.173 -5.982 -6.960 1.00 10.18 C ATOM 1924 C ARG A 230 14.664 -5.776 -7.109 1.00 12.55 C ATOM 1925 O ARG A 230 15.145 -5.430 -8.168 1.00 12.43 O ATOM 1926 CB ARG A 230 12.645 -6.935 -8.017 1.00 9.66 C ATOM 1927 CG ARG A 230 11.200 -7.317 -7.841 1.00 11.25 C ATOM 1928 CD ARG A 230 10.699 -8.218 -8.968 1.00 11.41 C ATOM 1929 NE ARG A 230 11.449 -9.419 -9.041 1.00 15.10 N ATOM 1930 CZ ARG A 230 12.367 -9.735 -9.952 1.00 17.20 C ATOM 1931 NH1 ARG A 230 12.464 -8.986 -11.021 1.00 16.70 N ATOM 1932 NH2 ARG A 230 13.142 -10.718 -9.782 1.00 18.46 N ATOM 1933 HE ARG A 230 11.262 -10.129 -8.304 1.00 0.00 H ATOM 1934 HH12 ARG A 230 13.172 -9.209 -11.750 1.00 0.00 H ATOM 1935 HH11 ARG A 230 11.833 -8.168 -11.142 1.00 0.00 H ATOM 1936 HH22 ARG A 230 13.853 -10.950 -10.504 1.00 0.00 H ATOM 1937 HH21 ARG A 230 13.069 -11.295 -8.920 1.00 0.00 H ATOM 1938 H ARG A 230 12.004 -4.435 -7.889 1.00 0.00 H ATOM 1939 N VAL A 231 15.459 -6.077 -6.095 1.00 10.88 N ATOM 1940 CA VAL A 231 16.912 -5.873 -6.125 1.00 10.33 C ATOM 1941 C VAL A 231 17.562 -6.679 -7.248 1.00 12.19 C ATOM 1942 O VAL A 231 18.553 -6.172 -7.835 1.00 12.45 O ATOM 1943 CB VAL A 231 17.611 -6.025 -4.773 1.00 11.76 C ATOM 1944 CG1 VAL A 231 17.036 -4.946 -3.822 1.00 12.34 C ATOM 1945 CG2 VAL A 231 17.511 -7.441 -4.215 1.00 12.67 C ATOM 1946 H VAL A 231 15.033 -6.478 -5.235 1.00 0.00 H ATOM 1947 N ALA A 232 17.088 -7.879 -7.494 1.00 10.75 N ATOM 1948 CA ALA A 232 17.712 -8.715 -8.507 1.00 12.29 C ATOM 1949 C ALA A 232 17.656 -8.068 -9.876 1.00 11.49 C ATOM 1950 O ALA A 232 18.509 -8.309 -10.737 1.00 13.12 O ATOM 1951 CB ALA A 232 17.106 -10.081 -8.568 1.00 12.94 C ATOM 1952 H ALA A 232 16.266 -8.232 -6.964 1.00 0.00 H ATOM 1953 N SER A 233 16.618 -7.347 -10.113 1.00 10.96 N ATOM 1954 CA SER A 233 16.432 -6.600 -11.349 1.00 10.98 C ATOM 1955 C SER A 233 17.480 -5.543 -11.596 1.00 12.53 C ATOM 1956 O SER A 233 17.664 -5.042 -12.729 1.00 13.62 O ATOM 1957 CB SER A 233 15.014 -5.997 -11.419 1.00 13.43 C ATOM 1958 OG SER A 233 14.723 -5.599 -12.716 1.00 15.11 O ATOM 1959 HG SER A 233 14.772 -6.383 -13.319 1.00 0.00 H ATOM 1960 H SER A 233 15.875 -7.295 -9.387 1.00 0.00 H ATOM 1961 N TYR A 234 18.152 -5.103 -10.535 1.00 10.90 N ATOM 1962 CA TYR A 234 19.106 -3.997 -10.520 1.00 10.95 C ATOM 1963 C TYR A 234 20.484 -4.492 -10.162 1.00 11.34 C ATOM 1964 O TYR A 234 21.309 -3.665 -9.670 1.00 11.49 O ATOM 1965 CB TYR A 234 18.577 -2.894 -9.618 1.00 11.16 C ATOM 1966 CG TYR A 234 17.393 -2.188 -10.199 1.00 11.44 C ATOM 1967 CD1 TYR A 234 17.578 -1.185 -11.107 1.00 12.79 C ATOM 1968 CD2 TYR A 234 16.078 -2.619 -9.951 1.00 11.63 C ATOM 1969 CE1 TYR A 234 16.478 -0.611 -11.719 1.00 12.45 C ATOM 1970 CE2 TYR A 234 14.974 -2.071 -10.555 1.00 13.21 C ATOM 1971 CZ TYR A 234 15.175 -1.023 -11.445 1.00 14.47 C ATOM 1972 OH TYR A 234 14.127 -0.419 -12.074 1.00 14.49 O ATOM 1973 HH TYR A 234 14.467 0.299 -12.664 1.00 0.00 H ATOM 1974 H TYR A 234 17.982 -5.592 -9.633 1.00 0.00 H ATOM 1975 N ALA A 235 20.755 -5.762 -10.297 1.00 13.26 N ATOM 1976 CA ALA A 235 22.019 -6.329 -9.816 1.00 13.70 C ATOM 1977 C ALA A 235 23.217 -5.659 -10.477 1.00 14.72 C ATOM 1978 O ALA A 235 24.217 -5.347 -9.828 1.00 16.18 O ATOM 1979 CB ALA A 235 22.068 -7.732 -10.008 1.00 14.40 C ATOM 1980 H ALA A 235 20.060 -6.385 -10.755 1.00 0.00 H ATOM 1981 N ALA A 236 23.155 -5.411 -11.789 1.00 16.25 N ATOM 1982 CA ALA A 236 24.278 -4.693 -12.456 1.00 16.31 C ATOM 1983 C ALA A 236 24.536 -3.337 -11.948 1.00 12.73 C ATOM 1984 O ALA A 236 25.707 -2.966 -11.759 1.00 14.67 O ATOM 1985 CB ALA A 236 24.125 -4.714 -13.928 1.00 17.12 C ATOM 1986 H ALA A 236 22.328 -5.717 -12.341 1.00 0.00 H ATOM 1987 N TRP A 237 23.485 -2.600 -11.676 1.00 12.23 N ATOM 1988 CA TRP A 237 23.641 -1.282 -11.134 1.00 11.94 C ATOM 1989 C TRP A 237 24.296 -1.323 -9.704 1.00 11.04 C ATOM 1990 O TRP A 237 25.286 -0.663 -9.433 1.00 12.01 O ATOM 1991 CB TRP A 237 22.341 -0.522 -11.076 1.00 11.52 C ATOM 1992 CG TRP A 237 22.477 0.793 -10.551 1.00 10.56 C ATOM 1993 CD1 TRP A 237 23.043 1.916 -11.147 1.00 12.17 C ATOM 1994 CD2 TRP A 237 22.096 1.247 -9.243 1.00 10.25 C ATOM 1995 NE1 TRP A 237 23.069 3.005 -10.293 1.00 12.42 N ATOM 1996 CE2 TRP A 237 22.465 2.599 -9.102 1.00 11.51 C ATOM 1997 CE3 TRP A 237 21.439 0.613 -8.189 1.00 10.40 C ATOM 1998 CZ2 TRP A 237 22.176 3.312 -7.914 1.00 11.85 C ATOM 1999 CZ3 TRP A 237 21.200 1.351 -7.034 1.00 10.64 C ATOM 2000 CH2 TRP A 237 21.580 2.621 -6.939 1.00 11.79 C ATOM 2001 HE1 TRP A 237 23.463 3.945 -10.499 1.00 0.00 H ATOM 2002 H TRP A 237 22.532 -2.975 -11.855 1.00 0.00 H ATOM 2003 N ILE A 238 23.731 -2.178 -8.874 1.00 10.43 N ATOM 2004 CA ILE A 238 24.218 -2.277 -7.436 1.00 10.54 C ATOM 2005 C ILE A 238 25.686 -2.649 -7.504 1.00 11.41 C ATOM 2006 O ILE A 238 26.541 -2.066 -6.868 1.00 13.12 O ATOM 2007 CB ILE A 238 23.384 -3.248 -6.655 1.00 11.85 C ATOM 2008 CG1 ILE A 238 21.950 -2.698 -6.428 1.00 13.62 C ATOM 2009 CG2 ILE A 238 24.020 -3.532 -5.327 1.00 13.32 C ATOM 2010 CD1 ILE A 238 20.953 -3.747 -5.879 1.00 14.61 C ATOM 2011 H ILE A 238 22.953 -2.785 -9.202 1.00 0.00 H ATOM 2012 N ASP A 239 26.007 -3.724 -8.321 1.00 12.62 N ATOM 2013 CA ASP A 239 27.391 -4.174 -8.354 1.00 14.27 C ATOM 2014 C ASP A 239 28.305 -3.058 -8.800 1.00 11.65 C ATOM 2015 O ASP A 239 29.433 -2.852 -8.269 1.00 13.94 O ATOM 2016 CB ASP A 239 27.524 -5.305 -9.329 1.00 15.85 C ATOM 2017 CG ASP A 239 26.981 -6.612 -8.810 1.00 23.74 C ATOM 2018 OD1 ASP A 239 26.889 -6.831 -7.628 1.00 28.92 O ATOM 2019 OD2 ASP A 239 26.827 -7.480 -9.709 1.00 36.72 O ATOM 2020 H ASP A 239 25.278 -4.195 -8.894 1.00 0.00 H ATOM 2021 N SER A 240 27.914 -2.274 -9.858 1.00 13.75 N ATOM 2022 CA SER A 240 28.818 -1.191 -10.321 1.00 13.84 C ATOM 2023 C SER A 240 29.036 -0.135 -9.264 1.00 13.03 C ATOM 2024 O SER A 240 30.172 0.243 -9.070 1.00 16.02 O ATOM 2025 CB SER A 240 28.146 -0.652 -11.557 1.00 14.48 C ATOM 2026 OG SER A 240 28.919 0.482 -11.936 1.00 17.71 O ATOM 2027 HG SER A 240 28.529 0.889 -12.750 1.00 0.00 H ATOM 2028 H SER A 240 27.000 -2.436 -10.327 1.00 0.00 H ATOM 2029 N VAL A 241 27.981 0.325 -8.589 1.00 11.94 N ATOM 2030 CA VAL A 241 28.139 1.332 -7.568 1.00 12.31 C ATOM 2031 C VAL A 241 29.016 0.863 -6.401 1.00 14.19 C ATOM 2032 O VAL A 241 29.913 1.566 -5.959 1.00 19.26 O ATOM 2033 CB VAL A 241 26.781 1.901 -7.186 1.00 10.66 C ATOM 2034 CG1 VAL A 241 26.974 2.906 -6.088 1.00 10.95 C ATOM 2035 CG2 VAL A 241 26.096 2.531 -8.456 1.00 12.57 C ATOM 2036 H VAL A 241 27.033 -0.047 -8.801 1.00 0.00 H ATOM 2037 N LEU A 242 28.714 -0.389 -5.998 1.00 13.80 N ATOM 2038 CA LEU A 242 29.444 -0.955 -4.858 1.00 15.37 C ATOM 2039 C LEU A 242 30.908 -1.035 -5.131 1.00 22.01 C ATOM 2040 O LEU A 242 31.753 -0.984 -4.175 1.00 24.41 O ATOM 2041 CB LEU A 242 28.884 -2.296 -4.412 1.00 18.78 C ATOM 2042 CG LEU A 242 27.854 -2.470 -3.324 1.00 29.36 C ATOM 2043 CD1 LEU A 242 27.012 -1.309 -2.971 1.00 22.17 C ATOM 2044 CD2 LEU A 242 27.144 -3.858 -3.422 1.00 26.97 C ATOM 2045 H LEU A 242 27.979 -0.941 -6.485 1.00 0.00 H ATOM 2046 N ALA A 243 31.311 -1.228 -6.388 1.00 19.38 N ATOM 2047 CA ALA A 243 32.698 -1.324 -6.789 1.00 23.72 C ATOM 2048 C ALA A 243 33.341 -0.024 -7.023 1.00 23.74 C ATOM 2049 O ALA A 243 34.609 -0.007 -7.208 1.00 31.82 O ATOM 2050 CB ALA A 243 32.843 -2.205 -8.012 1.00 27.43 C ATOM 2051 H ALA A 243 30.583 -1.315 -7.126 1.00 0.00 H ATOM 2052 N SER A 244 32.542 1.060 -6.992 1.00 25.04 N ATOM 2053 CA SER A 244 33.025 2.376 -7.416 1.00 27.90 C ATOM 2054 C SER A 244 33.947 3.056 -6.387 1.00 31.97 C ATOM 2055 O SER A 244 34.603 4.064 -6.729 1.00 34.78 O ATOM 2056 CB SER A 244 31.857 3.314 -7.714 1.00 26.12 C ATOM 2057 OG SER A 244 31.106 3.660 -6.548 1.00 25.06 O ATOM 2058 HG SER A 244 30.735 2.838 -6.140 1.00 0.00 H ATOM 2059 H SER A 244 31.561 0.960 -6.660 1.00 0.00 H ATOM 2060 N ALA A 245 34.024 2.495 -5.192 1.00 33.04 N ATOM 2061 CA ALA A 245 35.098 2.848 -4.269 1.00 39.12 C ATOM 2062 C ALA A 245 36.361 2.137 -4.784 1.00 38.50 C ATOM 2063 O ALA A 245 37.370 2.177 -4.155 1.00 65.78 O ATOM 2064 CB ALA A 245 34.736 2.384 -2.856 1.00 43.73 C ATOM 2065 H ALA A 245 33.311 1.794 -4.907 1.00 0.00 H TER 2066 ALA A 245 HETATM 2067 O HOH 1 1.033 6.992 23.515 1.00 32.82 O HETATM 2068 O HOH 2 8.060 -10.238 10.772 1.00 37.03 O HETATM 2069 O HOH 3 28.654 -6.723 -6.012 1.00 34.02 O HETATM 2070 O HOH 4 4.886 0.498 1.231 1.00 21.10 O HETATM 2071 O HOH 5 9.778 14.651 1.834 1.00 37.09 O HETATM 2072 O HOH 6 13.088 -6.933 7.472 1.00 25.89 O HETATM 2073 O HOH 7 30.755 8.771 10.195 1.00 28.00 O HETATM 2074 O HOH 8 4.261 -14.096 -6.795 1.00 28.64 O HETATM 2075 O HOH 9 28.790 8.639 -7.403 1.00 26.24 O HETATM 2076 O HOH 10 10.037 -15.978 3.467 1.00 34.04 O HETATM 2077 O HOH 11 34.017 -3.384 8.802 1.00 34.15 O HETATM 2078 O HOH 12 -9.907 -4.859 6.016 1.00 57.34 O HETATM 2079 O HOH 13 -6.155 2.292 4.967 1.00 36.10 O HETATM 2080 O HOH 14 14.320 -14.904 -1.211 1.00 22.82 O HETATM 2081 O HOH 15 25.590 -8.357 -11.811 1.00 45.22 O HETATM 2082 O HOH 16 13.341 -11.721 -7.168 1.00 31.93 O HETATM 2083 O HOH 17 20.151 -10.379 -11.589 1.00 21.78 O HETATM 2084 O HOH 18 7.125 -0.208 20.228 1.00 20.96 O HETATM 2085 O HOH 19 16.299 -18.140 1.121 1.00 35.79 O HETATM 2086 O HOH 20 7.007 1.503 11.997 1.00 15.45 O HETATM 2087 O HOH 21 23.453 -11.145 14.295 1.00 35.53 O HETATM 2088 O HOH 22 28.463 -0.103 13.253 1.00 15.72 O HETATM 2089 O HOH 23 12.238 1.268 -4.077 1.00 10.85 O HETATM 2090 O HOH 24 11.521 1.106 -8.588 1.00 13.16 O HETATM 2091 O HOH 25 -4.003 -8.559 -14.385 1.00 22.87 O HETATM 2092 O HOH 26 23.428 9.065 -9.409 1.00 20.82 O HETATM 2093 O HOH 27 21.655 -2.169 12.039 1.00 17.30 O HETATM 2094 O HOH 28 -4.151 -11.980 3.881 1.00 46.15 O HETATM 2095 O HOH 29 16.648 10.025 -14.602 1.00 32.33 O HETATM 2096 O HOH 30 14.020 14.031 1.792 1.00 27.73 O HETATM 2097 O HOH 31 2.603 -1.298 13.560 1.00 35.29 O HETATM 2098 O HOH 32 2.618 -19.288 -5.022 1.00 23.20 O HETATM 2099 O HOH 33 14.279 -7.713 -14.367 1.00 21.76 O HETATM 2100 O HOH 34 27.536 1.421 -14.013 1.00 18.21 O HETATM 2101 O HOH 35 26.944 13.034 5.919 1.00 22.39 O HETATM 2102 O HOH 36 -0.809 0.080 13.265 1.00 35.70 O HETATM 2103 O HOH 37 11.655 -0.186 -11.094 1.00 17.15 O HETATM 2104 O HOH 38 25.934 -11.146 5.244 1.00 32.47 O HETATM 2105 O HOH 39 5.550 1.829 -12.747 1.00 37.26 O HETATM 2106 O HOH 40 35.412 9.216 4.505 1.00 38.81 O HETATM 2107 O HOH 41 14.388 7.570 26.775 1.00 16.98 O HETATM 2108 O HOH 42 -0.773 -13.309 -1.796 1.00 21.90 O HETATM 2109 O HOH 43 4.399 -9.182 -7.116 1.00 15.99 O HETATM 2110 O HOH 44 36.288 6.201 13.251 1.00 84.91 O HETATM 2111 O HOH 45 20.215 10.107 15.120 1.00 16.60 O HETATM 2112 O HOH 46 2.438 -4.138 1.338 1.00 14.00 O HETATM 2113 O HOH 47 9.901 -0.292 -13.143 1.00 19.37 O HETATM 2114 O HOH 48 8.427 -19.227 -1.452 1.00 28.33 O HETATM 2115 O HOH 49 18.800 2.463 -18.296 1.00 16.15 O HETATM 2116 O HOH 50 21.443 24.326 -1.514 1.00 30.05 O HETATM 2117 O HOH 51 30.745 -4.806 -6.942 1.00 28.12 O HETATM 2118 O HOH 52 14.437 9.089 24.500 1.00 21.72 O HETATM 2119 O HOH 53 11.894 7.275 -9.943 1.00 18.12 O HETATM 2120 O HOH 54 22.649 14.245 13.583 1.00 46.43 O HETATM 2121 O HOH 55 5.448 4.177 -3.359 1.00 34.84 O HETATM 2122 O HOH 56 18.949 -9.611 18.851 1.00 47.81 O HETATM 2123 O HOH 57 1.940 -17.218 3.498 1.00 29.36 O HETATM 2124 O HOH 58 -0.993 -7.166 4.398 1.00 22.31 O HETATM 2125 O HOH 59 15.012 16.660 9.094 1.00 41.06 O HETATM 2126 O HOH 60 25.099 -8.403 1.185 1.00 17.80 O HETATM 2127 O HOH 61 17.933 8.711 15.627 1.00 14.53 O HETATM 2128 O HOH 62 26.953 -6.922 -1.485 1.00 19.21 O HETATM 2129 O HOH 63 -6.331 -7.977 -3.339 1.00 24.83 O HETATM 2130 O HOH 64 8.152 10.848 -2.752 1.00 25.89 O HETATM 2131 O HOH 65 12.284 -0.442 22.907 1.00 20.50 O HETATM 2132 O HOH 66 11.415 12.956 8.230 1.00 22.67 O HETATM 2133 O HOH 67 -10.417 -1.346 0.102 1.00 35.21 O HETATM 2134 O HOH 68 28.057 -0.511 15.946 1.00 18.63 O HETATM 2135 O HOH 69 21.798 -13.947 -4.627 1.00 35.04 O HETATM 2136 O HOH 70 5.450 7.046 19.265 1.00 22.35 O HETATM 2137 O HOH 71 6.991 -7.373 20.336 1.00 22.41 O HETATM 2138 O HOH 72 19.970 -0.234 -13.843 1.00 27.22 O HETATM 2139 O HOH 73 12.123 9.007 18.815 1.00 36.99 O HETATM 2140 O HOH 74 -2.361 2.756 -8.256 1.00 36.54 O HETATM 2141 O HOH 75 23.260 -2.739 21.548 1.00 30.19 O HETATM 2142 O HOH 76 27.871 -3.942 -13.194 1.00 20.04 O HETATM 2143 O HOH 77 17.284 -11.072 10.779 1.00 41.44 O HETATM 2144 O HOH 78 -3.435 -6.437 -0.763 1.00 20.91 O HETATM 2145 O HOH 79 26.741 10.563 -6.498 1.00 25.90 O HETATM 2146 O HOH 80 19.855 -13.682 6.547 1.00 38.15 O HETATM 2147 O HOH 81 4.783 10.547 -4.519 1.00 35.27 O HETATM 2148 O HOH 82 19.388 21.741 7.282 1.00 35.78 O HETATM 2149 O HOH 83 18.394 11.191 21.456 1.00 25.20 O HETATM 2150 O HOH 84 19.004 -2.503 13.669 1.00 13.99 O HETATM 2151 O HOH 85 15.968 10.474 15.146 1.00 20.23 O HETATM 2152 O HOH 86 32.116 0.547 -11.049 1.00 24.04 O HETATM 2153 O HOH 87 11.869 0.598 6.500 1.00 11.04 O HETATM 2154 O HOH 88 9.870 7.061 13.668 1.00 14.69 O HETATM 2155 O HOH 89 26.789 12.650 -2.498 1.00 39.38 O HETATM 2156 O HOH 90 20.761 -3.707 15.518 1.00 14.35 O HETATM 2157 O HOH 91 -2.805 0.490 0.856 1.00 17.87 O HETATM 2158 O HOH 92 21.063 13.215 9.681 1.00 18.91 O HETATM 2159 O HOH 93 20.210 8.506 19.147 1.00 25.85 O HETATM 2160 O HOH 94 32.084 14.253 10.238 1.00 28.55 O HETATM 2161 O HOH 95 14.851 -9.242 -6.150 1.00 14.60 O HETATM 2162 O HOH 96 28.057 10.935 12.465 1.00 56.08 O HETATM 2163 O HOH 97 16.523 -3.271 16.389 1.00 13.27 O HETATM 2164 O HOH 98 19.865 0.847 12.715 1.00 11.23 O HETATM 2165 O HOH 99 8.518 9.511 18.013 1.00 33.73 O HETATM 2166 O HOH 100 6.312 11.075 -0.795 1.00 36.76 O HETATM 2167 O HOH 101 37.157 6.044 5.422 1.00 39.17 O HETATM 2168 O HOH 102 -1.378 13.399 14.330 1.00 23.72 O HETATM 2169 O HOH 103 14.743 -6.460 14.719 1.00 16.00 O HETATM 2170 O HOH 104 12.057 2.762 8.307 1.00 10.84 O HETATM 2171 O HOH 105 -4.752 4.254 12.137 1.00 37.35 O HETATM 2172 O HOH 106 -2.250 -6.914 12.516 1.00 43.43 O HETATM 2173 O HOH 107 5.073 0.674 -1.337 1.00 22.98 O HETATM 2174 O HOH 108 24.648 15.184 3.516 1.00 35.59 O HETATM 2175 O HOH 109 17.639 20.210 3.360 1.00 42.42 O HETATM 2176 O HOH 110 29.423 -12.703 10.150 1.00 38.04 O HETATM 2177 O HOH 111 36.826 2.352 6.240 1.00 33.42 O HETATM 2178 O HOH 112 8.026 -5.047 -17.339 1.00 24.86 O HETATM 2179 O HOH 113 10.525 -10.897 -6.727 1.00 76.75 O HETATM 2180 O HOH 114 13.686 -14.806 -5.981 1.00 32.45 O HETATM 2181 O HOH 115 26.694 7.673 16.881 1.00 26.79 O HETATM 2182 O HOH 116 22.714 16.526 1.622 1.00 29.04 O HETATM 2183 O HOH 117 29.675 3.107 -10.919 1.00 19.30 O HETATM 2184 O HOH 118 -8.296 -3.256 3.222 1.00 30.93 O HETATM 2185 O HOH 119 4.243 -8.190 13.420 1.00 28.58 O HETATM 2186 O HOH 120 -8.121 3.388 2.517 1.00 32.51 O HETATM 2187 O HOH 121 34.031 -4.722 11.569 1.00 26.99 O HETATM 2188 O HOH 122 28.768 -3.138 15.680 1.00 19.56 O HETATM 2189 O HOH 123 6.027 -18.423 3.163 1.00 22.26 O HETATM 2190 O HOH 124 12.361 16.244 5.468 1.00 27.40 O HETATM 2191 O HOH 125 4.521 -4.301 20.083 1.00 23.15 O HETATM 2192 O HOH 126 3.797 -12.840 -9.415 1.00 30.63 O HETATM 2193 O HOH 127 13.503 10.704 13.939 1.00 14.69 O HETATM 2194 O HOH 128 17.137 -4.911 14.311 1.00 12.87 O HETATM 2195 O HOH 129 2.757 12.476 -3.662 1.00 75.77 O HETATM 2196 O HOH 130 19.436 -14.220 -12.959 1.00 48.44 O HETATM 2197 O HOH 131 19.525 8.870 -17.139 1.00 41.40 O HETATM 2198 O HOH 132 10.912 13.539 -5.062 1.00 34.67 O HETATM 2199 O HOH 133 11.657 -9.713 15.915 1.00 27.26 O HETATM 2200 O HOH 134 23.377 12.701 -4.785 1.00 41.37 O HETATM 2201 O HOH 135 -0.801 1.921 -2.561 1.00 33.14 O HETATM 2202 O HOH 136 16.575 -6.023 -15.304 1.00 20.02 O HETATM 2203 O HOH 137 3.449 -10.040 11.390 1.00 34.78 O HETATM 2204 O HOH 138 27.135 -5.135 16.769 1.00 21.95 O HETATM 2205 O HOH 139 -4.394 -13.218 -10.631 1.00 15.71 O HETATM 2206 O HOH 140 -4.903 7.326 13.646 1.00 34.06 O HETATM 2207 O HOH 141 13.447 -0.512 -17.141 1.00 25.20 O HETATM 2208 O HOH 142 21.483 2.998 -15.394 1.00 22.84 O HETATM 2209 O HOH 143 5.513 -12.051 -7.184 1.00 28.48 O HETATM 2210 O HOH 144 21.921 -9.188 17.766 1.00 36.31 O HETATM 2211 O HOH 145 9.899 -18.332 -4.449 1.00 29.98 O HETATM 2212 O HOH 146 24.690 -10.842 -1.065 1.00 18.90 O HETATM 2213 O HOH 147 23.845 5.129 21.551 1.00 34.33 O HETATM 2214 O HOH 148 -9.655 -8.006 -5.641 1.00 28.80 O HETATM 2215 O HOH 149 1.276 11.466 4.376 1.00 20.57 O HETATM 2216 O HOH 150 10.097 -3.121 24.514 1.00 14.22 O HETATM 2217 O HOH 151 0.776 -8.762 -14.710 1.00 19.09 O HETATM 2218 O HOH 152 25.387 2.498 25.098 1.00 35.42 O HETATM 2219 O HOH 153 22.268 -9.349 8.482 1.00 30.42 O HETATM 2220 O HOH 154 12.570 -5.084 -17.636 1.00 38.06 O HETATM 2221 O HOH 155 18.200 -11.985 17.657 1.00 49.93 O HETATM 2222 O HOH 156 -1.568 9.441 17.013 1.00 25.94 O HETATM 2223 O HOH 157 4.874 11.431 16.361 1.00 34.90 O HETATM 2224 O HOH 158 12.891 -13.613 5.848 1.00 32.18 O HETATM 2225 O HOH 159 15.053 8.970 -16.672 1.00 37.27 O HETATM 2226 O HOH 160 -0.191 6.863 4.118 1.00 19.50 O HETATM 2227 O HOH 161 29.427 13.776 -2.432 1.00 36.14 O HETATM 2228 O HOH 162 16.598 10.106 24.807 1.00 61.01 O HETATM 2229 O HOH 163 18.271 10.964 18.702 1.00 28.57 O HETATM 2230 O HOH 164 10.511 13.164 5.743 1.00 22.61 O HETATM 2231 O HOH 165 4.321 13.206 1.801 1.00 34.42 O HETATM 2232 O HOH 166 4.173 -11.084 -14.820 1.00 31.72 O HETATM 2233 O HOH 167 -4.223 -11.608 -2.624 1.00 57.32 O HETATM 2234 O HOH 168 21.426 7.896 21.274 1.00 38.00 O HETATM 2235 O HOH 169 31.088 -5.269 -10.111 1.00 36.20 O HETATM 2236 O HOH 170 -2.765 1.189 11.976 1.00 41.51 O HETATM 2237 O HOH 171 30.280 -4.080 -11.726 1.00 27.56 O HETATM 2238 O HOH 172 31.760 -1.398 -12.938 1.00 68.01 O HETATM 2239 O HOH 173 15.380 10.666 17.858 1.00 32.37 O HETATM 2240 O HOH 174 9.131 17.262 2.926 1.00 31.39 O HETATM 2241 O HOH 175 27.332 -6.845 -13.243 1.00 25.62 O HETATM 2242 O HOH 176 -9.083 -0.746 4.100 1.00 50.42 O HETATM 2243 O HOH 177 30.482 -3.943 17.289 1.00 80.71 O HETATM 2244 O HOH 178 19.166 10.983 -10.112 1.00 40.36 O HETATM 2245 O HOH 179 10.824 -0.653 -15.834 1.00 28.91 O HETATM 2246 O HOH 180 34.585 1.696 -10.617 1.00 39.94 O HETATM 2247 O HOH 181 0.096 -7.220 17.413 1.00 84.36 O HETATM 2248 O HOH 182 28.998 -1.873 -15.050 1.00 23.78 O HETATM 2249 O HOH 183 23.807 7.110 17.721 1.00 29.91 O HETATM 2250 O HOH 184 -4.473 -5.917 11.529 1.00 53.74 O HETATM 2251 O HOH 185 8.236 14.697 6.166 1.00 22.86 O HETATM 2252 O HOH 186 -0.267 11.682 16.035 1.00 36.80 O HETATM 2253 O HOH 187 14.817 -0.443 23.702 1.00 29.31 O HETATM 2254 O HOH 188 17.072 7.426 27.539 1.00 22.48 O HETATM 2255 O HOH 189 7.010 11.690 17.685 1.00 38.57 O HETATM 2256 O HOH 190 10.483 -2.997 -17.086 1.00 36.27 O HETATM 2257 O HOH 191 11.915 14.398 3.627 1.00 24.64 O HETATM 2258 O HOH 192 11.886 -16.199 -1.327 1.00 29.98 O HETATM 2259 O HOH 193 21.795 10.934 -10.861 1.00 32.86 O HETATM 2260 O HOH 194 32.203 -11.908 7.385 1.00 35.90 O HETATM 2261 O HOH 195 -4.691 -8.891 -1.363 1.00 23.94 O HETATM 2262 O HOH 196 -1.349 3.800 -4.305 1.00 40.52 O HETATM 2263 O HOH 197 37.062 7.734 2.180 1.00 32.15 O HETATM 2264 O HOH 198 -1.640 -8.443 -15.979 1.00 35.79 O HETATM 2265 O HOH 199 9.332 1.055 -17.372 1.00 45.07 O HETATM 2266 O HOH 200 36.419 -2.270 9.388 1.00 40.12 O HETATM 2267 O HOH 201 -6.179 -10.554 -4.266 1.00 27.82 O HETATM 2268 O HOH 202 30.110 0.970 17.083 1.00 32.54 O HETATM 2269 O HOH 203 27.485 -5.430 19.386 1.00 35.06 O HETATM 2270 O HOH 204 10.504 10.063 16.654 1.00 33.56 O HETATM 2271 O HOH 205 18.019 5.070 28.546 1.00 24.10 O HETATM 2272 O HOH 206 12.680 13.214 14.580 1.00 29.28 O HETATM 2273 O HOH 207 11.003 9.526 13.765 1.00 17.04 O HETATM 2274 O HOH 208 30.655 -14.036 8.338 1.00 31.46 O HETATM 2275 O HOH 209 2.147 12.269 16.778 1.00 35.06 O HETATM 2276 O HOH 210 22.025 8.950 16.968 1.00 21.56 O HETATM 2277 O HOH 211 1.024 8.867 5.411 1.00 19.53 O HETATM 2278 O HOH 212 25.439 -7.731 -15.252 1.00 23.76 O HETATM 2279 O HOH 213 29.620 -6.246 -2.293 1.00 38.46 O HETATM 2280 O HOH 214 12.662 15.464 8.127 1.00 29.72 O HETATM 2281 O HOH 215 7.508 14.419 8.817 1.00 26.23 O HETATM 2282 C4 UNN A 216 10.898 10.736 1.375 1.00 -0.01 C HETATM 2283 C5 UNN A 216 9.636 10.121 1.027 1.00 0.05 C HETATM 2284 C6 UNN A 216 10.909 9.647 0.474 1.00 -0.02 C HETATM 2285 H3 UNN A 216 11.318 8.676 0.791 1.00 0.03 H HETATM 2286 H4 UNN A 216 11.143 9.815 -0.588 1.00 0.03 H HETATM 2287 N1 UNN A 216 9.072 9.551 2.182 1.00 -0.25 N HETATM 2288 C7 UNN A 216 8.087 8.680 2.199 1.00 0.21 C HETATM 2289 C8 UNN A 216 7.429 8.299 0.889 1.00 0.16 C HETATM 2290 N2 UNN A 216 6.309 7.417 1.096 1.00 -0.17 N HETATM 2291 C9 UNN A 216 5.045 7.789 1.408 1.00 0.10 C HETATM 2292 C14 UNN A 216 4.330 6.617 1.637 1.00 0.03 C HETATM 2293 C13 UNN A 216 2.953 6.674 1.960 1.00 -0.06 C HETATM 2294 C12 UNN A 216 2.401 7.935 2.107 1.00 -0.07 C HETATM 2295 C11 UNN A 216 3.149 9.076 1.877 1.00 -0.07 C HETATM 2296 C10 UNN A 216 4.480 9.057 1.566 1.00 -0.03 C HETATM 2297 H8 UNN A 216 5.059 9.966 1.450 1.00 0.06 H HETATM 2298 H5 UNN A 216 2.653 10.037 1.947 1.00 0.06 H HETATM 2299 H9 UNN A 216 1.364 8.030 2.408 1.00 0.05 H HETATM 2300 H10 UNN A 216 2.360 5.775 2.086 1.00 0.06 H HETATM 2301 C15 UNN A 216 5.245 5.566 1.378 1.00 0.14 C HETATM 2302 C16 UNN A 216 4.995 4.150 1.409 1.00 0.21 C HETATM 2303 N3 UNN A 216 5.945 3.376 0.924 1.00 -0.30 N HETATM 2304 H13 UNN A 216 5.827 2.383 0.919 1.00 0.18 H HETATM 2305 H14 UNN A 216 6.784 3.782 0.561 1.00 0.18 H HETATM 2306 O2 UNN A 216 3.940 3.710 1.902 1.00 -0.39 O HETATM 2307 N4 UNN A 216 6.429 6.094 1.064 1.00 -0.17 N HETATM 2308 H6 UNN A 216 8.169 7.793 0.252 1.00 0.09 H HETATM 2309 H7 UNN A 216 7.076 9.212 0.388 1.00 0.09 H HETATM 2310 O3 UNN A 216 7.753 8.152 3.244 1.00 -0.39 O HETATM 2311 C2 UNN A 216 9.862 9.912 3.316 1.00 0.14 C HETATM 2312 C3 UNN A 216 11.067 10.717 2.849 1.00 -0.01 C HETATM 2313 H11 UNN A 216 11.048 11.736 3.263 1.00 0.03 H HETATM 2314 H12 UNN A 216 12.008 10.223 3.134 1.00 0.03 H HETATM 2315 C1 UNN A 216 9.046 10.434 4.492 1.00 0.23 C HETATM 2316 O1 UNN A 216 8.117 11.175 4.259 1.00 -0.38 O HETATM 2317 N5 UNN A 216 9.444 10.032 5.739 1.00 -0.22 N HETATM 2318 C17 UNN A 216 8.733 10.234 6.960 1.00 0.14 C HETATM 2319 C18 UNN A 216 7.815 11.239 7.120 1.00 -0.01 C HETATM 2320 C19 UNN A 216 7.116 11.292 8.334 1.00 -0.06 C HETATM 2321 C20 UNN A 216 7.290 10.304 9.249 1.00 -0.04 C HETATM 2322 C21 UNN A 216 8.239 9.352 9.075 1.00 0.07 C HETATM 2323 BR1 UNN A 216 8.488 7.968 10.279 1.00 -0.02 BR HETATM 2324 N6 UNN A 216 8.925 9.285 7.903 1.00 -0.27 N HETATM 2325 H19 UNN A 216 6.661 10.276 10.131 1.00 0.06 H HETATM 2326 H18 UNN A 216 6.442 12.115 8.541 1.00 0.07 H HETATM 2327 H17 UNN A 216 7.636 11.966 6.336 1.00 0.06 H HETATM 2328 H16 UNN A 216 10.318 9.550 5.800 1.00 0.23 H HETATM 2329 H15 UNN A 216 10.287 8.970 3.692 1.00 0.08 H HETATM 2330 H2 UNN A 216 8.876 10.573 0.372 1.00 0.06 H HETATM 2331 H1 UNN A 216 11.216 11.712 0.981 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 1105 1104 1697 CONECT 1383 1382 1528 CONECT 1528 1383 1527 CONECT 1621 1620 1817 CONECT 1697 1105 1696 CONECT 1817 1621 1816 CONECT 2282 2283 2284 2312 2331 CONECT 2283 2282 2284 2287 2330 CONECT 2284 2282 2283 2285 2286 CONECT 2285 2284 CONECT 2286 2284 CONECT 2287 2283 2288 2311 CONECT 2288 2287 2289 2310 CONECT 2289 2288 2290 2308 2309 CONECT 2290 2289 2291 2307 CONECT 2291 2290 2292 2296 CONECT 2292 2291 2293 2301 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 2292 2302 2307 CONECT 2302 2301 2303 2306 CONECT 2303 2302 2304 2305 CONECT 2304 2303 CONECT 2305 2303 CONECT 2306 2302 CONECT 2307 2290 2301 CONECT 2308 2289 CONECT 2309 2289 CONECT 2310 2288 CONECT 2311 2287 2312 2315 2329 CONECT 2312 2282 2311 2313 2314 CONECT 2313 2312 CONECT 2314 2312 CONECT 2315 2311 2316 2317 CONECT 2316 2315 CONECT 2317 2315 2318 2328 CONECT 2318 2317 2319 2324 CONECT 2319 2318 2320 2327 CONECT 2320 2319 2321 2326 CONECT 2321 2320 2322 2325 CONECT 2322 2321 2323 2324 CONECT 2323 2322 CONECT 2324 2318 2322 CONECT 2325 2321 CONECT 2326 2320 CONECT 2327 2319 CONECT 2328 2317 CONECT 2329 2311 CONECT 2330 2283 CONECT 2331 2282 MASTER 0 0 0 0 0 0 0 0 2330 1 62 18 END
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Structure:
Ligand 2D
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Related entries of code: 5nb7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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5mt4
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PDBbind
232aa, >5MT4_1|Chain... at 99%
5nar
RCSB PDB
PDBbind
232aa, >5NAR_1|Chain... at 99%
5naw
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PDBbind
232aa, >5NAW_1|Chain... at 99%
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PDBbind
232aa, >5NB6_1|Chain... at 99%
5nba
RCSB PDB
PDBbind
230aa, >5NBA_1|Chain... at 100%
5tca
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228aa, >5TCA_1|Chains... at 100%
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RCSB PDB
PDBbind
228aa, >5TCC_1|Chains... at 100%
6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
RCSB PDB
PDBbind
232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmt
RCSB PDB
PDBbind
254aa, >6QMT_1|Chains... at 100%
6qmr
RCSB PDB
PDBbind
254aa, >6QMR_1|Chains... *
5nat
RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nb7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8NQ
EC.Number
E.C.3.4.21.46
Resolution
1.33(Å)
Affinity (Kd/Ki/IC50)
IC50=0.006uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
1
H
1
9
BrN
6
O
3
Molecular Weight
483.318
Exact Mass
482.070
No. of atoms
50
No. of bonds
54
Polar Surface Area
123.21
LOGP Value
2.22 (
Computed with XLOGP3
)
2.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2
InChI String
InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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