Browse entries in the PDBbind-CN Database
HEADER 5MT0_COMPLEX COMPND 5MT0_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 QJS A 421 39 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 4.617 1.529 9.774 1.00 10.98 N ATOM 2 CA ILE A 16 3.935 0.173 9.570 1.00 12.22 C ATOM 3 C ILE A 16 2.569 0.205 10.183 1.00 11.75 C ATOM 4 O ILE A 16 2.403 0.586 11.352 1.00 13.69 O ATOM 5 CB ILE A 16 4.770 -0.981 10.275 1.00 11.35 C ATOM 6 CG1 ILE A 16 6.253 -1.053 9.774 1.00 13.00 C ATOM 7 CG2 ILE A 16 4.061 -2.277 10.152 1.00 14.01 C ATOM 8 CD1 ILE A 16 6.409 -1.537 8.298 1.00 12.56 C ATOM 9 HN3 ILE A 16 4.697 1.726 10.792 1.00 0.00 H ATOM 10 HN2 ILE A 16 4.050 2.273 9.320 1.00 0.00 H ATOM 11 HN1 ILE A 16 5.566 1.506 9.348 1.00 0.00 H ATOM 12 N LEU A 17 1.554 -0.062 9.364 1.00 13.56 N ATOM 13 CA LEU A 17 0.187 -0.150 9.910 1.00 14.41 C ATOM 14 C LEU A 17 -0.079 -1.646 10.244 1.00 14.52 C ATOM 15 O LEU A 17 0.267 -2.535 9.445 1.00 15.89 O ATOM 16 CB LEU A 17 -0.820 0.409 8.837 1.00 16.36 C ATOM 17 CG LEU A 17 -0.960 1.933 8.496 1.00 21.64 C ATOM 18 CD1 LEU A 17 -2.300 2.290 7.857 1.00 24.73 C ATOM 19 CD2 LEU A 17 -0.725 2.978 9.642 1.00 21.43 C ATOM 20 H LEU A 17 1.724 -0.207 8.348 1.00 0.00 H ATOM 21 N GLY A 18 -0.799 -1.912 11.336 1.00 15.53 N ATOM 22 CA GLY A 18 -1.200 -3.295 11.635 1.00 17.31 C ATOM 23 C GLY A 18 -0.099 -4.247 12.084 1.00 16.83 C ATOM 24 O GLY A 18 -0.221 -5.453 12.036 1.00 19.59 O ATOM 25 H GLY A 18 -1.077 -1.141 11.976 1.00 0.00 H ATOM 26 N GLY A 19 1.067 -3.699 12.430 1.00 17.21 N ATOM 27 CA GLY A 19 2.184 -4.511 12.850 1.00 14.83 C ATOM 28 C GLY A 19 2.341 -4.551 14.342 1.00 15.42 C ATOM 29 O GLY A 19 1.421 -4.376 15.079 1.00 17.03 O ATOM 30 H GLY A 19 1.173 -2.665 12.396 1.00 0.00 H ATOM 31 N ARG A 20 3.535 -4.865 14.750 1.00 14.25 N ATOM 32 CA ARG A 20 3.947 -5.032 16.155 1.00 15.52 C ATOM 33 C ARG A 20 5.361 -4.609 16.369 1.00 14.39 C ATOM 34 O ARG A 20 6.164 -4.553 15.410 1.00 13.47 O ATOM 35 CB ARG A 20 3.823 -6.532 16.596 1.00 19.28 C ATOM 36 CG ARG A 20 2.386 -7.124 16.746 1.00 24.88 C ATOM 37 CD ARG A 20 2.202 -8.566 17.417 1.00 34.06 C ATOM 38 NE ARG A 20 3.295 -8.975 18.297 1.00 42.99 N ATOM 39 CZ ARG A 20 3.335 -8.930 19.645 1.00 48.26 C ATOM 40 NH1 ARG A 20 2.328 -8.430 20.428 1.00 49.61 N ATOM 41 NH2 ARG A 20 4.443 -9.383 20.227 1.00 49.69 N ATOM 42 HE ARG A 20 4.145 -9.346 17.827 1.00 0.00 H ATOM 43 HH12 ARG A 20 2.427 -8.427 21.463 1.00 0.00 H ATOM 44 HH11 ARG A 20 1.465 -8.054 19.987 1.00 0.00 H ATOM 45 HH22 ARG A 20 4.528 -9.372 21.263 1.00 0.00 H ATOM 46 HH21 ARG A 20 5.224 -9.748 19.645 1.00 0.00 H ATOM 47 H ARG A 20 4.263 -5.011 14.021 1.00 0.00 H ATOM 48 N GLU A 21 5.790 -4.411 17.614 1.00 15.42 N ATOM 49 CA GLU A 21 7.135 -3.999 17.911 1.00 13.20 C ATOM 50 C GLU A 21 8.076 -5.139 17.533 1.00 15.67 C ATOM 51 O GLU A 21 7.850 -6.330 17.855 1.00 18.90 O ATOM 52 CB GLU A 21 7.315 -3.625 19.433 1.00 19.47 C ATOM 53 CG GLU A 21 8.379 -2.382 19.704 1.00 20.96 C ATOM 54 CD GLU A 21 8.866 -2.165 21.042 1.00 27.11 C ATOM 55 OE1 GLU A 21 8.040 -1.608 21.760 1.00 23.81 O ATOM 56 OE2 GLU A 21 10.049 -2.402 21.371 1.00 30.09 O ATOM 57 H GLU A 21 5.127 -4.560 18.401 1.00 0.00 H ATOM 58 N ALA A 22 9.129 -4.807 16.790 1.00 12.63 N ATOM 59 CA ALA A 22 10.108 -5.790 16.428 1.00 14.48 C ATOM 60 C ALA A 22 10.962 -6.149 17.641 1.00 13.72 C ATOM 61 O ALA A 22 11.155 -5.365 18.582 1.00 14.82 O ATOM 62 CB ALA A 22 11.001 -5.188 15.261 1.00 13.74 C ATOM 63 H ALA A 22 9.243 -3.824 16.469 1.00 0.00 H ATOM 64 N GLU A 23 11.484 -7.355 17.587 1.00 15.79 N ATOM 65 CA GLU A 23 12.452 -7.819 18.542 1.00 15.14 C ATOM 66 C GLU A 23 13.735 -6.949 18.419 1.00 14.49 C ATOM 67 O GLU A 23 14.292 -6.839 17.340 1.00 13.01 O ATOM 68 CB GLU A 23 12.668 -9.295 18.301 1.00 19.35 C ATOM 69 CG GLU A 23 13.732 -9.974 19.075 1.00 25.66 C ATOM 70 CD GLU A 23 14.014 -11.433 18.605 1.00 32.90 C ATOM 71 OE1 GLU A 23 13.365 -11.910 17.632 1.00 38.00 O ATOM 72 OE2 GLU A 23 14.911 -12.099 19.170 1.00 38.55 O ATOM 73 H GLU A 23 11.185 -7.996 16.825 1.00 0.00 H ATOM 74 N ALA A 24 14.166 -6.308 19.473 1.00 15.07 N ATOM 75 CA ALA A 24 15.288 -5.348 19.408 1.00 14.16 C ATOM 76 C ALA A 24 16.551 -6.043 18.839 1.00 13.66 C ATOM 77 O ALA A 24 16.965 -7.123 19.288 1.00 15.26 O ATOM 78 CB ALA A 24 15.553 -4.771 20.756 1.00 16.09 C ATOM 79 H ALA A 24 13.704 -6.479 20.389 1.00 0.00 H ATOM 80 N HIS A 25 17.107 -5.477 17.733 1.00 11.36 N ATOM 81 CA HIS A 25 18.343 -5.959 17.095 1.00 11.24 C ATOM 82 C HIS A 25 18.245 -7.296 16.404 1.00 12.78 C ATOM 83 O HIS A 25 19.267 -7.797 15.992 1.00 12.45 O ATOM 84 CB HIS A 25 19.526 -5.936 18.114 1.00 13.03 C ATOM 85 CG HIS A 25 19.604 -4.639 18.877 1.00 10.78 C ATOM 86 ND1 HIS A 25 19.807 -3.408 18.264 1.00 10.96 N ATOM 87 CD2 HIS A 25 19.334 -4.359 20.184 1.00 13.91 C ATOM 88 CE1 HIS A 25 19.714 -2.432 19.162 1.00 12.92 C ATOM 89 NE2 HIS A 25 19.415 -2.985 20.349 1.00 14.04 N ATOM 90 H HIS A 25 16.630 -4.654 17.313 1.00 0.00 H ATOM 91 N ALA A 26 17.036 -7.807 16.199 1.00 12.00 N ATOM 92 CA ALA A 26 16.884 -9.115 15.482 1.00 11.90 C ATOM 93 C ALA A 26 16.996 -8.956 13.981 1.00 11.33 C ATOM 94 O ALA A 26 17.063 -9.963 13.281 1.00 12.57 O ATOM 95 CB ALA A 26 15.630 -9.794 15.835 1.00 13.99 C ATOM 96 H ALA A 26 16.194 -7.299 16.536 1.00 0.00 H ATOM 97 N ARG A 27 17.038 -7.721 13.489 1.00 10.43 N ATOM 98 CA ARG A 27 17.145 -7.385 12.044 1.00 9.02 C ATOM 99 C ARG A 27 18.356 -6.507 11.959 1.00 9.71 C ATOM 100 O ARG A 27 18.228 -5.254 11.834 1.00 9.30 O ATOM 101 CB ARG A 27 15.893 -6.729 11.534 1.00 9.23 C ATOM 102 CG ARG A 27 14.719 -7.687 11.551 1.00 10.04 C ATOM 103 CD ARG A 27 13.349 -6.924 11.361 1.00 13.31 C ATOM 104 NE ARG A 27 12.221 -7.829 11.319 1.00 14.54 N ATOM 105 CZ ARG A 27 11.735 -8.460 12.398 1.00 14.58 C ATOM 106 NH1 ARG A 27 12.261 -8.169 13.615 1.00 15.42 N ATOM 107 NH2 ARG A 27 10.787 -9.373 12.293 1.00 18.41 N ATOM 108 HE ARG A 27 11.762 -8.000 10.402 1.00 0.00 H ATOM 109 HH12 ARG A 27 11.899 -8.646 14.465 1.00 0.00 H ATOM 110 HH11 ARG A 27 13.026 -7.469 13.697 1.00 0.00 H ATOM 111 HH22 ARG A 27 10.426 -9.849 13.145 1.00 0.00 H ATOM 112 HH21 ARG A 27 10.401 -9.617 11.359 1.00 0.00 H ATOM 113 H ARG A 27 16.993 -6.932 14.165 1.00 0.00 H ATOM 114 N PRO A 28 19.596 -7.083 12.018 1.00 9.54 N ATOM 115 CA PRO A 28 20.798 -6.255 12.196 1.00 9.53 C ATOM 116 C PRO A 28 21.164 -5.498 10.937 1.00 7.33 C ATOM 117 O PRO A 28 22.086 -4.682 10.968 1.00 8.66 O ATOM 118 CB PRO A 28 21.890 -7.271 12.576 1.00 11.29 C ATOM 119 CG PRO A 28 21.364 -8.624 11.966 1.00 13.46 C ATOM 120 CD PRO A 28 19.858 -8.518 12.231 1.00 12.43 C ATOM 121 N TYR A 29 20.485 -5.787 9.839 1.00 8.11 N ATOM 122 CA TYR A 29 20.661 -5.054 8.583 1.00 8.01 C ATOM 123 C TYR A 29 19.813 -3.831 8.506 1.00 6.15 C ATOM 124 O TYR A 29 19.945 -3.047 7.547 1.00 7.01 O ATOM 125 CB TYR A 29 20.226 -6.033 7.430 1.00 8.17 C ATOM 126 CG TYR A 29 18.850 -6.622 7.657 1.00 9.16 C ATOM 127 CD1 TYR A 29 17.680 -5.869 7.355 1.00 8.84 C ATOM 128 CD2 TYR A 29 18.682 -7.937 8.182 1.00 10.73 C ATOM 129 CE1 TYR A 29 16.426 -6.441 7.524 1.00 10.22 C ATOM 130 CE2 TYR A 29 17.408 -8.472 8.370 1.00 11.56 C ATOM 131 CZ TYR A 29 16.303 -7.704 8.028 1.00 10.67 C ATOM 132 OH TYR A 29 15.040 -8.271 8.206 1.00 13.71 O ATOM 133 HH TYR A 29 14.346 -7.623 7.926 1.00 0.00 H ATOM 134 H TYR A 29 19.798 -6.567 9.869 1.00 0.00 H ATOM 135 N MET A 30 18.927 -3.581 9.456 1.00 6.87 N ATOM 136 CA MET A 30 17.984 -2.469 9.304 1.00 6.58 C ATOM 137 C MET A 30 18.690 -1.112 9.503 1.00 7.09 C ATOM 138 O MET A 30 19.462 -0.956 10.486 1.00 9.17 O ATOM 139 CB MET A 30 16.852 -2.618 10.313 1.00 8.22 C ATOM 140 CG MET A 30 15.688 -1.698 10.176 1.00 12.37 C ATOM 141 SD MET A 30 14.768 -2.030 8.638 1.00 14.47 S ATOM 142 CE MET A 30 14.147 -0.347 8.286 1.00 13.62 C ATOM 143 H MET A 30 18.899 -4.173 10.310 1.00 0.00 H ATOM 144 N ALA A 31 18.372 -0.142 8.632 1.00 6.49 N ATOM 145 CA ALA A 31 18.948 1.191 8.760 1.00 6.65 C ATOM 146 C ALA A 31 17.850 2.233 8.841 1.00 5.48 C ATOM 147 O ALA A 31 16.821 2.076 8.151 1.00 6.87 O ATOM 148 CB ALA A 31 19.839 1.441 7.531 1.00 7.32 C ATOM 149 H ALA A 31 17.708 -0.343 7.858 1.00 0.00 H ATOM 150 N SER A 32 18.097 3.309 9.552 1.00 6.53 N ATOM 151 CA SER A 32 17.272 4.526 9.492 1.00 6.06 C ATOM 152 C SER A 32 18.048 5.563 8.701 1.00 6.34 C ATOM 153 O SER A 32 19.185 5.903 9.104 1.00 7.88 O ATOM 154 CB SER A 32 16.945 5.006 10.898 1.00 8.03 C ATOM 155 OG SER A 32 16.411 6.330 10.840 1.00 7.58 O ATOM 156 HG SER A 32 15.586 6.328 10.292 1.00 0.00 H ATOM 157 H SER A 32 18.918 3.301 10.190 1.00 0.00 H ATOM 158 N VAL A 33 17.528 5.964 7.554 1.00 6.36 N ATOM 159 CA VAL A 33 18.127 7.054 6.772 1.00 6.61 C ATOM 160 C VAL A 33 17.533 8.348 7.298 1.00 7.07 C ATOM 161 O VAL A 33 16.304 8.514 7.346 1.00 8.14 O ATOM 162 CB VAL A 33 17.812 6.872 5.281 1.00 7.45 C ATOM 163 CG1 VAL A 33 18.353 7.969 4.440 1.00 9.30 C ATOM 164 CG2 VAL A 33 18.332 5.509 4.795 1.00 8.38 C ATOM 165 H VAL A 33 16.672 5.495 7.195 1.00 0.00 H ATOM 166 N GLN A 34 18.451 9.228 7.691 1.00 7.39 N ATOM 167 CA GLN A 34 18.072 10.438 8.421 1.00 8.84 C ATOM 168 C GLN A 34 18.484 11.677 7.643 1.00 9.14 C ATOM 169 O GLN A 34 19.495 11.696 6.951 1.00 10.30 O ATOM 170 CB GLN A 34 18.698 10.439 9.788 1.00 9.59 C ATOM 171 CG GLN A 34 18.374 9.089 10.503 1.00 10.62 C ATOM 172 CD GLN A 34 18.353 9.220 11.983 1.00 10.68 C ATOM 173 OE1 GLN A 34 19.029 10.070 12.565 1.00 13.99 O ATOM 174 NE2 GLN A 34 17.651 8.337 12.621 1.00 9.21 N ATOM 175 HE22 GLN A 34 17.093 7.636 12.093 1.00 0.00 H ATOM 176 HE21 GLN A 34 17.645 8.330 13.661 1.00 0.00 H ATOM 177 H GLN A 34 19.453 9.053 7.476 1.00 0.00 H ATOM 178 N LEU A 35 17.681 12.711 7.793 1.00 10.57 N ATOM 179 CA LEU A 35 17.999 13.995 7.109 1.00 12.67 C ATOM 180 C LEU A 35 17.928 15.035 8.196 1.00 14.62 C ATOM 181 O LEU A 35 16.874 15.142 8.856 1.00 15.86 O ATOM 182 CB LEU A 35 16.995 14.283 6.012 1.00 14.28 C ATOM 183 CG LEU A 35 17.127 15.564 5.171 1.00 16.23 C ATOM 184 CD1 LEU A 35 18.480 15.503 4.432 1.00 19.85 C ATOM 185 CD2 LEU A 35 15.962 15.692 4.145 1.00 23.04 C ATOM 186 H LEU A 35 16.830 12.631 8.386 1.00 0.00 H ATOM 187 N ASN A 36 19.038 15.785 8.386 1.00 15.88 N ATOM 188 CA ASN A 36 19.119 16.778 9.421 1.00 19.37 C ATOM 189 C ASN A 36 18.535 16.220 10.679 1.00 20.18 C ATOM 190 O ASN A 36 17.912 16.928 11.480 1.00 23.54 O ATOM 191 CB ASN A 36 18.360 18.010 8.933 1.00 22.27 C ATOM 192 CG ASN A 36 19.046 18.674 7.784 1.00 23.48 C ATOM 193 OD1 ASN A 36 20.258 18.723 7.699 1.00 28.54 O ATOM 194 ND2 ASN A 36 18.232 19.180 6.860 1.00 28.17 N ATOM 195 HD22 ASN A 36 17.201 19.111 6.981 1.00 0.00 H ATOM 196 HD21 ASN A 36 18.627 19.644 6.017 1.00 0.00 H ATOM 197 H ASN A 36 19.858 15.638 7.763 1.00 0.00 H ATOM 198 N GLY A 38 19.162 14.992 11.211 1.00 19.73 N ATOM 199 CA GLY A 38 18.951 14.286 12.490 1.00 21.24 C ATOM 200 C GLY A 38 17.567 13.652 12.678 1.00 19.50 C ATOM 201 O GLY A 38 17.296 13.115 13.751 1.00 24.56 O ATOM 202 H GLY A 38 19.866 14.554 10.583 1.00 0.00 H ATOM 203 N ALA A 39 16.669 13.716 11.697 1.00 15.49 N ATOM 204 CA ALA A 39 15.357 13.088 11.829 1.00 14.63 C ATOM 205 C ALA A 39 15.230 11.870 10.904 1.00 13.22 C ATOM 206 O ALA A 39 15.609 11.938 9.751 1.00 12.05 O ATOM 207 CB ALA A 39 14.262 14.122 11.534 1.00 18.93 C ATOM 208 H ALA A 39 16.906 14.223 10.820 1.00 0.00 H ATOM 209 N HIS A 40 14.608 10.799 11.395 1.00 9.78 N ATOM 210 CA HIS A 40 14.260 9.663 10.500 1.00 9.41 C ATOM 211 C HIS A 40 13.464 10.140 9.302 1.00 9.06 C ATOM 212 O HIS A 40 12.449 10.828 9.491 1.00 10.81 O ATOM 213 CB HIS A 40 13.487 8.611 11.319 1.00 9.05 C ATOM 214 CG HIS A 40 12.987 7.512 10.456 1.00 8.15 C ATOM 215 ND1 HIS A 40 13.783 6.460 10.094 1.00 8.27 N ATOM 216 CD2 HIS A 40 11.838 7.401 9.769 1.00 9.31 C ATOM 217 CE1 HIS A 40 13.116 5.698 9.238 1.00 7.67 C ATOM 218 NE2 HIS A 40 11.930 6.223 9.057 1.00 8.75 N ATOM 219 H HIS A 40 14.365 10.757 12.405 1.00 0.00 H ATOM 220 N LEU A 41 13.871 9.706 8.111 1.00 8.19 N ATOM 221 CA LEU A 41 13.182 10.004 6.894 1.00 9.63 C ATOM 222 C LEU A 41 12.661 8.725 6.236 1.00 7.44 C ATOM 223 O LEU A 41 11.498 8.651 5.853 1.00 10.74 O ATOM 224 CB LEU A 41 14.185 10.766 6.017 1.00 12.89 C ATOM 225 CG LEU A 41 13.647 11.121 4.660 1.00 15.11 C ATOM 226 CD1 LEU A 41 12.606 12.195 4.849 1.00 22.52 C ATOM 227 CD2 LEU A 41 14.785 11.631 3.840 1.00 21.36 C ATOM 228 H LEU A 41 14.731 9.123 8.064 1.00 0.00 H ATOM 229 N CYS A 42 13.524 7.736 6.072 1.00 8.07 N ATOM 230 CA CYS A 42 13.174 6.521 5.315 1.00 7.89 C ATOM 231 C CYS A 42 13.895 5.367 5.908 1.00 6.37 C ATOM 232 O CYS A 42 14.913 5.551 6.623 1.00 7.37 O ATOM 233 CB CYS A 42 13.622 6.662 3.820 1.00 11.59 C ATOM 234 SG CYS A 42 12.461 7.610 2.842 1.00 14.91 S ATOM 235 H CYS A 42 14.474 7.818 6.488 1.00 0.00 H ATOM 236 N GLY A 43 13.426 4.188 5.620 1.00 6.50 N ATOM 237 CA GLY A 43 14.192 2.996 5.912 1.00 6.50 C ATOM 238 C GLY A 43 15.298 2.802 4.931 1.00 5.34 C ATOM 239 O GLY A 43 15.379 3.418 3.862 1.00 6.65 O ATOM 240 H GLY A 43 12.490 4.102 5.175 1.00 0.00 H ATOM 241 N GLY A 44 16.145 1.836 5.250 1.00 6.58 N ATOM 242 CA GLY A 44 17.236 1.354 4.374 1.00 6.67 C ATOM 243 C GLY A 44 17.714 0.019 4.852 1.00 5.59 C ATOM 244 O GLY A 44 17.295 -0.455 5.923 1.00 6.68 O ATOM 245 H GLY A 44 16.036 1.385 6.181 1.00 0.00 H ATOM 246 N VAL A 45 18.620 -0.572 4.087 1.00 5.87 N ATOM 247 CA VAL A 45 19.141 -1.878 4.410 1.00 7.30 C ATOM 248 C VAL A 45 20.641 -1.919 4.113 1.00 5.83 C ATOM 249 O VAL A 45 21.105 -1.550 3.062 1.00 6.65 O ATOM 250 CB VAL A 45 18.389 -3.022 3.642 1.00 7.95 C ATOM 251 CG1 VAL A 45 18.253 -2.764 2.155 1.00 10.59 C ATOM 252 CG2 VAL A 45 18.932 -4.366 3.931 1.00 8.52 C ATOM 253 H VAL A 45 18.963 -0.084 3.235 1.00 0.00 H ATOM 254 N LEU A 46 21.372 -2.394 5.133 1.00 6.37 N ATOM 255 CA LEU A 46 22.816 -2.589 4.968 1.00 5.69 C ATOM 256 C LEU A 46 23.068 -3.767 4.046 1.00 5.96 C ATOM 257 O LEU A 46 22.629 -4.881 4.341 1.00 7.56 O ATOM 258 CB LEU A 46 23.461 -2.818 6.351 1.00 6.97 C ATOM 259 CG LEU A 46 24.953 -2.838 6.413 1.00 7.83 C ATOM 260 CD1 LEU A 46 25.581 -1.457 6.138 1.00 9.06 C ATOM 261 CD2 LEU A 46 25.449 -3.320 7.796 1.00 10.22 C ATOM 262 H LEU A 46 20.915 -2.623 6.039 1.00 0.00 H ATOM 263 N VAL A 47 23.686 -3.523 2.915 1.00 7.10 N ATOM 264 CA VAL A 47 23.899 -4.581 1.872 1.00 8.37 C ATOM 265 C VAL A 47 25.367 -4.941 1.696 1.00 9.17 C ATOM 266 O VAL A 47 25.668 -5.898 1.010 1.00 10.10 O ATOM 267 CB VAL A 47 23.236 -4.277 0.542 1.00 7.65 C ATOM 268 CG1 VAL A 47 21.693 -4.266 0.676 1.00 9.92 C ATOM 269 CG2 VAL A 47 23.751 -2.998 -0.003 1.00 9.53 C ATOM 270 H VAL A 47 24.041 -2.562 2.735 1.00 0.00 H ATOM 271 N ALA A 48 26.260 -4.135 2.253 1.00 8.90 N ATOM 272 CA ALA A 48 27.698 -4.417 2.198 1.00 9.26 C ATOM 273 C ALA A 48 28.259 -3.702 3.395 1.00 9.99 C ATOM 274 O ALA A 48 27.554 -2.964 4.105 1.00 11.28 O ATOM 275 CB ALA A 48 28.305 -3.976 0.927 1.00 10.27 C ATOM 276 H ALA A 48 25.931 -3.278 2.743 1.00 0.00 H ATOM 277 N GLU A 49 29.563 -3.848 3.675 1.00 10.76 N ATOM 278 CA GLU A 49 30.067 -3.278 4.895 1.00 11.65 C ATOM 279 C GLU A 49 29.998 -1.729 4.897 1.00 10.58 C ATOM 280 O GLU A 49 29.861 -1.103 5.955 1.00 12.22 O ATOM 281 CB GLU A 49 31.506 -3.615 5.008 1.00 16.62 C ATOM 282 CG GLU A 49 31.887 -5.025 5.091 1.00 21.94 C ATOM 283 CD GLU A 49 33.402 -4.957 5.451 1.00 32.83 C ATOM 284 OE1 GLU A 49 33.691 -4.814 6.665 1.00 32.89 O ATOM 285 OE2 GLU A 49 34.263 -4.800 4.527 1.00 37.12 O ATOM 286 H GLU A 49 30.193 -4.361 3.026 1.00 0.00 H ATOM 287 N GLN A 50 30.072 -1.130 3.687 1.00 9.43 N ATOM 288 CA GLN A 50 30.105 0.354 3.629 1.00 8.54 C ATOM 289 C GLN A 50 28.889 0.931 2.885 1.00 8.16 C ATOM 290 O GLN A 50 28.896 2.113 2.541 1.00 8.97 O ATOM 291 CB GLN A 50 31.418 0.828 3.014 1.00 10.65 C ATOM 292 CG GLN A 50 31.762 2.278 3.397 1.00 11.71 C ATOM 293 CD GLN A 50 33.155 2.659 2.927 1.00 15.21 C ATOM 294 OE1 GLN A 50 33.925 1.788 2.522 1.00 22.14 O ATOM 295 NE2 GLN A 50 33.499 3.943 2.974 1.00 13.67 N ATOM 296 HE22 GLN A 50 32.821 4.651 3.322 1.00 0.00 H ATOM 297 HE21 GLN A 50 34.446 4.239 2.662 1.00 0.00 H ATOM 298 H GLN A 50 30.105 -1.696 2.815 1.00 0.00 H ATOM 299 N TRP A 51 27.830 0.131 2.613 1.00 7.20 N ATOM 300 CA TRP A 51 26.797 0.581 1.701 1.00 6.67 C ATOM 301 C TRP A 51 25.414 0.189 2.241 1.00 7.23 C ATOM 302 O TRP A 51 25.171 -0.955 2.607 1.00 6.96 O ATOM 303 CB TRP A 51 26.937 -0.086 0.312 1.00 8.46 C ATOM 304 CG TRP A 51 28.152 0.409 -0.400 1.00 9.54 C ATOM 305 CD1 TRP A 51 29.447 -0.150 -0.362 1.00 10.94 C ATOM 306 CD2 TRP A 51 28.241 1.542 -1.262 1.00 9.33 C ATOM 307 NE1 TRP A 51 30.263 0.640 -1.194 1.00 12.44 N ATOM 308 CE2 TRP A 51 29.558 1.636 -1.782 1.00 10.92 C ATOM 309 CE3 TRP A 51 27.286 2.492 -1.691 1.00 9.52 C ATOM 310 CZ2 TRP A 51 29.919 2.620 -2.682 1.00 11.44 C ATOM 311 CZ3 TRP A 51 27.600 3.420 -2.605 1.00 11.82 C ATOM 312 CH2 TRP A 51 28.936 3.496 -3.119 1.00 12.99 C ATOM 313 HE1 TRP A 51 31.280 0.479 -1.339 1.00 0.00 H ATOM 314 H TRP A 51 27.758 -0.806 3.059 1.00 0.00 H ATOM 315 N VAL A 52 24.515 1.203 2.188 1.00 6.64 N ATOM 316 CA VAL A 52 23.132 1.025 2.583 1.00 6.48 C ATOM 317 C VAL A 52 22.269 1.307 1.314 1.00 5.55 C ATOM 318 O VAL A 52 22.478 2.325 0.634 1.00 7.08 O ATOM 319 CB VAL A 52 22.777 1.984 3.725 1.00 5.99 C ATOM 320 CG1 VAL A 52 21.297 2.056 3.950 1.00 6.79 C ATOM 321 CG2 VAL A 52 23.500 1.512 4.982 1.00 8.25 C ATOM 322 H VAL A 52 24.828 2.137 1.854 1.00 0.00 H ATOM 323 N LEU A 53 21.332 0.430 1.052 1.00 5.17 N ATOM 324 CA LEU A 53 20.396 0.550 -0.054 1.00 5.38 C ATOM 325 C LEU A 53 19.075 1.143 0.502 1.00 6.28 C ATOM 326 O LEU A 53 18.577 0.691 1.532 1.00 6.24 O ATOM 327 CB LEU A 53 20.166 -0.805 -0.691 1.00 6.52 C ATOM 328 CG LEU A 53 19.286 -0.874 -1.931 1.00 7.39 C ATOM 329 CD1 LEU A 53 19.831 -0.078 -3.104 1.00 8.32 C ATOM 330 CD2 LEU A 53 19.040 -2.340 -2.339 1.00 8.04 C ATOM 331 H LEU A 53 21.253 -0.401 1.672 1.00 0.00 H ATOM 332 N SER A 54 18.490 2.087 -0.231 1.00 5.36 N ATOM 333 CA SER A 54 17.238 2.690 0.113 1.00 6.03 C ATOM 334 C SER A 54 16.529 3.110 -1.158 1.00 5.66 C ATOM 335 O SER A 54 16.841 2.582 -2.215 1.00 7.02 O ATOM 336 CB SER A 54 17.535 3.902 1.061 1.00 6.28 C ATOM 337 OG SER A 54 16.353 4.458 1.577 1.00 7.51 O ATOM 338 HG SER A 54 15.864 3.770 2.094 1.00 0.00 H ATOM 339 H SER A 54 18.967 2.403 -1.099 1.00 0.00 H ATOM 340 N ALA A 55 15.558 4.022 -1.042 1.00 7.35 N ATOM 341 CA ALA A 55 14.759 4.507 -2.208 1.00 6.93 C ATOM 342 C ALA A 55 15.190 5.908 -2.605 1.00 8.62 C ATOM 343 O ALA A 55 15.597 6.687 -1.805 1.00 9.76 O ATOM 344 CB ALA A 55 13.316 4.458 -1.913 1.00 9.38 C ATOM 345 H ALA A 55 15.350 4.410 -0.100 1.00 0.00 H ATOM 346 N ALA A 56 15.167 6.196 -3.897 1.00 10.19 N ATOM 347 CA ALA A 56 15.568 7.496 -4.398 1.00 10.26 C ATOM 348 C ALA A 56 14.634 8.676 -4.061 1.00 10.36 C ATOM 349 O ALA A 56 15.153 9.780 -3.784 1.00 10.79 O ATOM 350 CB ALA A 56 15.810 7.418 -5.947 1.00 11.51 C ATOM 351 H ALA A 56 14.852 5.469 -4.571 1.00 0.00 H ATOM 352 N HIS A 57 13.334 8.460 -4.025 1.00 10.41 N ATOM 353 CA HIS A 57 12.459 9.650 -3.805 1.00 11.48 C ATOM 354 C HIS A 57 12.759 10.237 -2.469 1.00 12.50 C ATOM 355 O HIS A 57 12.562 11.447 -2.280 1.00 13.72 O ATOM 356 CB HIS A 57 10.950 9.326 -3.916 1.00 14.38 C ATOM 357 CG HIS A 57 10.456 8.973 -5.293 1.00 16.00 C ATOM 358 ND1 HIS A 57 10.563 9.784 -6.415 1.00 18.14 N ATOM 359 CD2 HIS A 57 9.757 7.878 -5.699 1.00 15.65 C ATOM 360 CE1 HIS A 57 9.971 9.178 -7.443 1.00 18.14 C ATOM 361 NE2 HIS A 57 9.517 8.002 -7.039 1.00 16.38 N ATOM 362 H HIS A 57 12.937 7.506 -4.144 1.00 0.00 H ATOM 363 N CYS A 58 13.145 9.392 -1.511 1.00 14.73 N ATOM 364 CA CYS A 58 13.424 9.870 -0.129 1.00 15.19 C ATOM 365 C CYS A 58 14.287 11.092 -0.140 1.00 16.83 C ATOM 366 O CYS A 58 14.043 12.011 0.692 1.00 15.70 O ATOM 367 CB CYS A 58 14.124 8.733 0.613 1.00 15.25 C ATOM 368 SG CYS A 58 13.125 7.326 0.933 1.00 18.76 S ATOM 369 H CYS A 58 13.253 8.382 -1.734 1.00 0.00 H ATOM 370 N LEU A 59 15.304 11.098 -1.002 1.00 14.65 N ATOM 371 CA LEU A 59 16.223 12.195 -1.003 1.00 14.51 C ATOM 372 C LEU A 59 16.199 13.107 -2.165 1.00 14.71 C ATOM 373 O LEU A 59 17.051 14.001 -2.285 1.00 16.19 O ATOM 374 CB LEU A 59 17.632 11.634 -0.778 1.00 15.28 C ATOM 375 CG LEU A 59 17.888 10.942 0.563 1.00 18.51 C ATOM 376 CD1 LEU A 59 19.281 10.308 0.620 1.00 19.57 C ATOM 377 CD2 LEU A 59 17.737 11.867 1.762 1.00 17.57 C ATOM 378 H LEU A 59 15.429 10.310 -1.670 1.00 0.00 H ATOM 379 N GLU A 60 15.233 12.926 -3.069 1.00 14.62 N ATOM 380 CA GLU A 60 15.282 13.681 -4.362 1.00 17.53 C ATOM 381 C GLU A 60 15.209 15.196 -4.149 1.00 19.54 C ATOM 382 O GLU A 60 15.810 15.914 -4.959 1.00 21.80 O ATOM 383 CB GLU A 60 14.232 13.168 -5.341 1.00 15.93 C ATOM 384 CG GLU A 60 12.811 13.607 -4.917 1.00 18.50 C ATOM 385 CD GLU A 60 11.738 12.920 -5.726 1.00 21.11 C ATOM 386 OE1 GLU A 60 10.634 13.429 -5.621 1.00 28.31 O ATOM 387 OE2 GLU A 60 11.940 11.985 -6.480 1.00 20.03 O ATOM 388 H GLU A 60 14.453 12.266 -2.877 1.00 0.00 H ATOM 389 N ASP A 61 14.574 15.684 -3.053 1.00 21.11 N ATOM 390 CA ASP A 61 14.492 17.131 -2.857 1.00 20.89 C ATOM 391 C ASP A 61 15.336 17.510 -1.615 1.00 20.02 C ATOM 392 O ASP A 61 15.124 18.569 -1.038 1.00 22.56 O ATOM 393 CB ASP A 61 13.042 17.609 -2.658 1.00 24.38 C ATOM 394 CG ASP A 61 12.160 17.490 -3.924 1.00 24.71 C ATOM 395 OD1 ASP A 61 12.607 17.885 -5.048 1.00 33.44 O ATOM 396 OD2 ASP A 61 11.001 17.000 -3.778 1.00 29.60 O ATOM 397 H ASP A 61 14.150 15.035 -2.359 1.00 0.00 H ATOM 398 N ALA A 61A 16.282 16.662 -1.200 1.00 18.52 N ATOM 399 CA ALA A 61A 16.999 16.866 0.047 1.00 18.02 C ATOM 400 C ALA A 61A 18.067 17.999 -0.104 1.00 19.65 C ATOM 401 O ALA A 61A 18.596 18.463 0.922 1.00 19.01 O ATOM 402 CB ALA A 61A 17.664 15.598 0.475 1.00 20.50 C ATOM 403 H ALA A 61A 16.511 15.834 -1.786 1.00 0.00 H ATOM 404 N ALA A 61B 18.376 18.428 -1.335 1.00 20.17 N ATOM 405 CA ALA A 61B 19.296 19.565 -1.554 1.00 21.61 C ATOM 406 C ALA A 61B 20.611 19.241 -0.828 1.00 23.61 C ATOM 407 O ALA A 61B 21.129 18.140 -0.987 1.00 23.63 O ATOM 408 CB ALA A 61B 18.735 20.926 -1.068 1.00 22.53 C ATOM 409 H ALA A 61B 17.958 17.949 -2.158 1.00 0.00 H ATOM 410 N ASP A 61C 21.104 20.213 -0.040 1.00 22.87 N ATOM 411 CA ASP A 61C 22.323 20.038 0.765 1.00 24.26 C ATOM 412 C ASP A 61C 22.076 19.742 2.211 1.00 24.59 C ATOM 413 O ASP A 61C 22.959 19.965 3.058 1.00 24.56 O ATOM 414 CB ASP A 61C 23.273 21.237 0.622 1.00 24.59 C ATOM 415 CG ASP A 61C 23.693 21.388 -0.771 1.00 33.07 C ATOM 416 OD1 ASP A 61C 23.607 20.352 -1.540 1.00 47.10 O ATOM 417 OD2 ASP A 61C 24.092 22.520 -1.129 1.00 43.92 O ATOM 418 H ASP A 61C 20.604 21.124 0.002 1.00 0.00 H ATOM 419 N GLY A 62 20.888 19.166 2.499 1.00 22.25 N ATOM 420 CA GLY A 62 20.603 18.645 3.867 1.00 21.22 C ATOM 421 C GLY A 62 21.584 17.573 4.293 1.00 17.94 C ATOM 422 O GLY A 62 22.135 16.858 3.429 1.00 20.74 O ATOM 423 H GLY A 62 20.163 19.085 1.757 1.00 0.00 H ATOM 424 N LYS A 63 21.801 17.428 5.597 1.00 17.42 N ATOM 425 CA LYS A 63 22.792 16.448 6.035 1.00 15.69 C ATOM 426 C LYS A 63 22.156 15.059 6.094 1.00 13.84 C ATOM 427 O LYS A 63 21.216 14.828 6.872 1.00 13.10 O ATOM 428 CB LYS A 63 23.350 16.844 7.380 1.00 18.02 C ATOM 429 CG LYS A 63 24.536 15.877 7.756 1.00 22.73 C ATOM 430 CD LYS A 63 25.031 16.201 9.112 1.00 26.31 C ATOM 431 CE LYS A 63 26.276 15.368 9.520 1.00 25.14 C ATOM 432 NZ LYS A 63 26.960 14.620 8.373 1.00 28.63 N ATOM 433 HZ1 LYS A 63 26.285 13.956 7.943 1.00 0.00 H ATOM 434 HZ2 LYS A 63 27.280 15.303 7.657 1.00 0.00 H ATOM 435 HZ3 LYS A 63 27.778 14.094 8.742 1.00 0.00 H ATOM 436 H LYS A 63 21.277 18.000 6.290 1.00 0.00 H ATOM 437 N VAL A 64 22.688 14.114 5.316 1.00 13.18 N ATOM 438 CA VAL A 64 22.161 12.738 5.306 1.00 11.56 C ATOM 439 C VAL A 64 23.043 11.888 6.196 1.00 10.49 C ATOM 440 O VAL A 64 24.302 11.913 5.998 1.00 11.35 O ATOM 441 CB VAL A 64 22.193 12.195 3.860 1.00 14.95 C ATOM 442 CG1 VAL A 64 21.601 10.777 3.869 1.00 15.70 C ATOM 443 CG2 VAL A 64 21.320 13.141 2.974 1.00 16.70 C ATOM 444 H VAL A 64 23.493 14.354 4.703 1.00 0.00 H ATOM 445 N GLN A 65 22.447 11.130 7.098 1.00 9.94 N ATOM 446 CA GLN A 65 23.174 10.182 7.903 1.00 9.22 C ATOM 447 C GLN A 65 22.422 8.850 7.903 1.00 8.26 C ATOM 448 O GLN A 65 21.236 8.822 7.516 1.00 9.61 O ATOM 449 CB GLN A 65 23.336 10.697 9.320 1.00 10.91 C ATOM 450 CG GLN A 65 24.174 11.964 9.352 1.00 12.08 C ATOM 451 CD GLN A 65 24.089 12.692 10.639 1.00 14.68 C ATOM 452 OE1 GLN A 65 23.002 13.189 11.057 1.00 16.47 O ATOM 453 NE2 GLN A 65 25.242 12.767 11.328 1.00 19.16 N ATOM 454 HE22 GLN A 65 26.108 12.342 10.940 1.00 0.00 H ATOM 455 HE21 GLN A 65 25.267 13.250 12.249 1.00 0.00 H ATOM 456 H GLN A 65 21.420 11.220 7.232 1.00 0.00 H ATOM 457 N VAL A 66 23.121 7.840 8.375 1.00 8.01 N ATOM 458 CA VAL A 66 22.455 6.511 8.481 1.00 8.32 C ATOM 459 C VAL A 66 22.658 5.986 9.887 1.00 6.41 C ATOM 460 O VAL A 66 23.808 5.876 10.325 1.00 7.48 O ATOM 461 CB VAL A 66 23.028 5.518 7.442 1.00 7.01 C ATOM 462 CG1 VAL A 66 22.342 4.192 7.657 1.00 11.32 C ATOM 463 CG2 VAL A 66 22.801 5.990 6.046 1.00 9.89 C ATOM 464 H VAL A 66 24.111 7.966 8.666 1.00 0.00 H ATOM 465 N LEU A 67 21.571 5.653 10.575 1.00 6.49 N ATOM 466 CA LEU A 67 21.651 5.102 11.885 1.00 7.28 C ATOM 467 C LEU A 67 21.601 3.568 11.765 1.00 8.36 C ATOM 468 O LEU A 67 20.584 3.013 11.260 1.00 7.75 O ATOM 469 CB LEU A 67 20.476 5.612 12.688 1.00 8.07 C ATOM 470 CG LEU A 67 20.442 5.108 14.164 1.00 8.66 C ATOM 471 CD1 LEU A 67 21.609 5.713 14.936 1.00 11.71 C ATOM 472 CD2 LEU A 67 19.142 5.512 14.767 1.00 10.38 C ATOM 473 H LEU A 67 20.636 5.799 10.144 1.00 0.00 H ATOM 474 N LEU A 68 22.642 2.875 12.220 1.00 7.24 N ATOM 475 CA LEU A 68 22.713 1.405 12.244 1.00 7.07 C ATOM 476 C LEU A 68 22.708 0.919 13.701 1.00 8.13 C ATOM 477 O LEU A 68 23.001 1.671 14.625 1.00 8.60 O ATOM 478 CB LEU A 68 24.015 0.882 11.569 1.00 9.12 C ATOM 479 CG LEU A 68 24.137 1.263 10.063 1.00 8.48 C ATOM 480 CD1 LEU A 68 25.467 0.739 9.568 1.00 9.66 C ATOM 481 CD2 LEU A 68 23.008 0.722 9.285 1.00 10.13 C ATOM 482 H LEU A 68 23.459 3.407 12.582 1.00 0.00 H ATOM 483 N GLY A 69 22.343 -0.348 13.853 1.00 8.19 N ATOM 484 CA GLY A 69 22.385 -1.037 15.152 1.00 9.54 C ATOM 485 C GLY A 69 21.271 -0.555 16.075 1.00 8.63 C ATOM 486 O GLY A 69 21.399 -0.785 17.267 1.00 10.84 O ATOM 487 H GLY A 69 22.014 -0.875 13.019 1.00 0.00 H ATOM 488 N ALA A 70 20.245 0.123 15.569 1.00 8.74 N ATOM 489 CA ALA A 70 19.225 0.742 16.380 1.00 8.59 C ATOM 490 C ALA A 70 17.993 -0.085 16.564 1.00 8.29 C ATOM 491 O ALA A 70 17.523 -0.789 15.671 1.00 9.42 O ATOM 492 CB ALA A 70 18.843 2.097 15.844 1.00 10.31 C ATOM 493 H ALA A 70 20.174 0.212 14.535 1.00 0.00 H ATOM 494 N HIS A 71 17.330 0.154 17.683 1.00 9.18 N ATOM 495 CA HIS A 71 15.982 -0.193 17.965 1.00 9.79 C ATOM 496 C HIS A 71 15.114 1.039 18.168 1.00 9.36 C ATOM 497 O HIS A 71 14.201 1.345 17.393 1.00 9.55 O ATOM 498 CB HIS A 71 15.828 -1.237 19.081 1.00 9.55 C ATOM 499 CG HIS A 71 14.433 -1.782 19.122 1.00 10.53 C ATOM 500 ND1 HIS A 71 13.884 -2.409 18.045 1.00 11.28 N ATOM 501 CD2 HIS A 71 13.444 -1.675 20.063 1.00 13.41 C ATOM 502 CE1 HIS A 71 12.638 -2.727 18.321 1.00 14.71 C ATOM 503 NE2 HIS A 71 12.342 -2.290 19.527 1.00 16.06 N ATOM 504 H HIS A 71 17.850 0.648 18.436 1.00 0.00 H ATOM 505 N SER A 72 15.467 1.823 19.225 1.00 9.58 N ATOM 506 CA SER A 72 14.908 3.103 19.506 1.00 9.25 C ATOM 507 C SER A 72 15.622 4.143 18.688 1.00 8.94 C ATOM 508 O SER A 72 16.852 4.190 18.674 1.00 11.05 O ATOM 509 CB SER A 72 15.131 3.352 20.988 1.00 10.24 C ATOM 510 OG SER A 72 14.813 4.691 21.294 1.00 10.61 O ATOM 511 HG SER A 72 13.864 4.863 21.069 1.00 0.00 H ATOM 512 H SER A 72 16.196 1.461 19.873 1.00 0.00 H ATOM 513 N LEU A 73 14.869 5.055 18.129 1.00 9.18 N ATOM 514 CA LEU A 73 15.444 6.229 17.481 1.00 9.77 C ATOM 515 C LEU A 73 16.057 7.200 18.509 1.00 10.51 C ATOM 516 O LEU A 73 16.910 7.978 18.124 1.00 13.23 O ATOM 517 CB LEU A 73 14.403 6.946 16.670 1.00 10.73 C ATOM 518 CG LEU A 73 13.866 6.188 15.445 1.00 8.56 C ATOM 519 CD1 LEU A 73 12.727 6.896 14.792 1.00 12.21 C ATOM 520 CD2 LEU A 73 15.021 5.950 14.431 1.00 12.09 C ATOM 521 H LEU A 73 13.835 4.940 18.147 1.00 0.00 H ATOM 522 N SER A 74 15.612 7.210 19.748 1.00 11.55 N ATOM 523 CA SER A 74 15.979 8.294 20.638 1.00 12.64 C ATOM 524 C SER A 74 16.881 7.847 21.792 1.00 12.13 C ATOM 525 O SER A 74 17.556 8.682 22.348 1.00 15.08 O ATOM 526 CB SER A 74 14.705 8.926 21.187 1.00 13.40 C ATOM 527 OG SER A 74 14.021 8.013 22.019 1.00 13.71 O ATOM 528 HG SER A 74 13.782 7.207 21.496 1.00 0.00 H ATOM 529 H SER A 74 14.999 6.442 20.088 1.00 0.00 H ATOM 530 N GLN A 75 16.830 6.585 22.181 1.00 12.02 N ATOM 531 CA GLN A 75 17.566 6.115 23.359 1.00 13.25 C ATOM 532 C GLN A 75 18.917 5.538 23.046 1.00 13.18 C ATOM 533 O GLN A 75 19.110 4.919 21.992 1.00 13.50 O ATOM 534 CB GLN A 75 16.735 5.020 24.078 1.00 13.46 C ATOM 535 CG GLN A 75 15.396 5.465 24.550 1.00 14.70 C ATOM 536 CD GLN A 75 14.688 4.448 25.568 1.00 17.03 C ATOM 537 OE1 GLN A 75 13.817 4.861 26.391 1.00 19.31 O ATOM 538 NE2 GLN A 75 14.994 3.139 25.438 1.00 18.60 N ATOM 539 HE22 GLN A 75 15.715 2.839 24.751 1.00 0.00 H ATOM 540 HE21 GLN A 75 14.509 2.431 26.025 1.00 0.00 H ATOM 541 H GLN A 75 16.254 5.909 21.639 1.00 0.00 H ATOM 542 N PRO A 76 19.884 5.664 24.007 1.00 14.63 N ATOM 543 CA PRO A 76 21.225 5.117 23.671 1.00 16.27 C ATOM 544 C PRO A 76 21.181 3.593 23.751 1.00 14.85 C ATOM 545 O PRO A 76 20.457 3.029 24.608 1.00 16.34 O ATOM 546 CB PRO A 76 22.151 5.779 24.688 1.00 19.32 C ATOM 547 CG PRO A 76 21.314 6.138 25.692 1.00 19.10 C ATOM 548 CD PRO A 76 19.907 6.392 25.266 1.00 17.07 C ATOM 549 N GLU A 77 21.913 2.937 22.884 1.00 14.36 N ATOM 550 CA GLU A 77 22.020 1.501 22.894 1.00 13.96 C ATOM 551 C GLU A 77 23.466 1.258 22.478 1.00 13.44 C ATOM 552 O GLU A 77 24.018 1.922 21.656 1.00 14.15 O ATOM 553 CB GLU A 77 21.048 0.907 21.832 1.00 13.53 C ATOM 554 CG GLU A 77 19.613 1.365 22.038 1.00 10.98 C ATOM 555 CD GLU A 77 18.679 0.973 20.936 1.00 12.51 C ATOM 556 OE1 GLU A 77 19.132 0.732 19.778 1.00 13.70 O ATOM 557 OE2 GLU A 77 17.408 0.994 21.136 1.00 14.42 O ATOM 558 H GLU A 77 22.436 3.473 22.162 1.00 0.00 H ATOM 559 N PRO A 78 24.098 0.211 23.022 1.00 15.82 N ATOM 560 CA PRO A 78 25.528 -0.082 22.761 1.00 16.80 C ATOM 561 C PRO A 78 25.903 -0.220 21.299 1.00 14.51 C ATOM 562 O PRO A 78 26.944 0.293 20.846 1.00 18.03 O ATOM 563 CB PRO A 78 25.759 -1.409 23.539 1.00 18.95 C ATOM 564 CG PRO A 78 24.658 -1.532 24.449 1.00 19.83 C ATOM 565 CD PRO A 78 23.495 -0.666 24.047 1.00 18.21 C ATOM 566 N SER A 79 24.984 -0.820 20.511 1.00 14.47 N ATOM 567 CA SER A 79 25.209 -1.059 19.102 1.00 14.47 C ATOM 568 C SER A 79 24.854 0.095 18.174 1.00 12.89 C ATOM 569 O SER A 79 25.107 0.034 16.982 1.00 13.10 O ATOM 570 CB SER A 79 24.455 -2.327 18.649 1.00 15.21 C ATOM 571 OG SER A 79 23.057 -2.157 18.918 1.00 15.59 O ATOM 572 HG SER A 79 22.924 -2.017 19.889 1.00 0.00 H ATOM 573 H SER A 79 24.082 -1.121 20.933 1.00 0.00 H ATOM 574 N LYS A 80 24.159 1.098 18.709 1.00 12.71 N ATOM 575 CA LYS A 80 23.648 2.203 17.883 1.00 11.72 C ATOM 576 C LYS A 80 24.750 3.098 17.438 1.00 12.25 C ATOM 577 O LYS A 80 25.515 3.593 18.308 1.00 16.95 O ATOM 578 CB LYS A 80 22.687 3.077 18.648 1.00 17.19 C ATOM 579 CG LYS A 80 21.420 2.845 18.433 1.00 19.88 C ATOM 580 CD LYS A 80 20.322 3.779 19.063 1.00 14.77 C ATOM 581 CE LYS A 80 20.260 5.247 18.742 1.00 13.38 C ATOM 582 NZ LYS A 80 19.007 5.918 19.402 1.00 13.86 N ATOM 583 HZ1 LYS A 80 18.143 5.463 19.045 1.00 0.00 H ATOM 584 HZ2 LYS A 80 19.058 5.805 20.435 1.00 0.00 H ATOM 585 HZ3 LYS A 80 18.991 6.930 19.163 1.00 0.00 H ATOM 586 H LYS A 80 23.974 1.100 19.732 1.00 0.00 H ATOM 587 N ARG A 81 24.844 3.419 16.151 1.00 10.81 N ATOM 588 CA ARG A 81 25.853 4.337 15.653 1.00 12.53 C ATOM 589 C ARG A 81 25.278 5.066 14.504 1.00 10.39 C ATOM 590 O ARG A 81 24.742 4.445 13.564 1.00 10.89 O ATOM 591 CB ARG A 81 27.189 3.655 15.313 1.00 14.69 C ATOM 592 CG ARG A 81 28.158 4.713 14.911 1.00 19.66 C ATOM 593 CD ARG A 81 29.608 4.320 14.830 1.00 24.54 C ATOM 594 NE ARG A 81 30.338 5.253 13.916 1.00 26.19 N ATOM 595 CZ ARG A 81 31.469 4.957 13.301 1.00 26.04 C ATOM 596 NH1 ARG A 81 32.033 3.752 13.560 1.00 28.24 N ATOM 597 NH2 ARG A 81 32.055 5.849 12.462 1.00 32.40 N ATOM 598 HE ARG A 81 29.929 6.195 13.754 1.00 0.00 H ATOM 599 HH12 ARG A 81 32.924 3.484 13.095 1.00 0.00 H ATOM 600 HH11 ARG A 81 31.575 3.096 14.224 1.00 0.00 H ATOM 601 HH22 ARG A 81 32.945 5.605 11.983 1.00 0.00 H ATOM 602 HH21 ARG A 81 31.613 6.776 12.298 1.00 0.00 H ATOM 603 H ARG A 81 24.172 2.998 15.478 1.00 0.00 H ATOM 604 N LEU A 82 25.445 6.372 14.542 1.00 11.22 N ATOM 605 CA LEU A 82 25.025 7.217 13.445 1.00 10.65 C ATOM 606 C LEU A 82 26.174 7.521 12.528 1.00 11.83 C ATOM 607 O LEU A 82 27.176 8.137 12.950 1.00 16.16 O ATOM 608 CB LEU A 82 24.453 8.552 14.058 1.00 13.33 C ATOM 609 CG LEU A 82 23.807 9.573 13.098 1.00 13.47 C ATOM 610 CD1 LEU A 82 22.557 8.958 12.464 1.00 12.85 C ATOM 611 CD2 LEU A 82 23.422 10.789 13.804 1.00 16.07 C ATOM 612 H LEU A 82 25.888 6.805 15.378 1.00 0.00 H ATOM 613 N TYR A 83 26.121 7.046 11.290 1.00 9.54 N ATOM 614 CA TYR A 83 27.191 7.219 10.329 1.00 9.67 C ATOM 615 C TYR A 83 26.949 8.394 9.421 1.00 9.60 C ATOM 616 O TYR A 83 25.817 8.591 8.920 1.00 9.53 O ATOM 617 CB TYR A 83 27.292 5.935 9.456 1.00 10.41 C ATOM 618 CG TYR A 83 27.910 4.779 10.176 1.00 10.08 C ATOM 619 CD1 TYR A 83 27.132 3.979 11.002 1.00 10.98 C ATOM 620 CD2 TYR A 83 29.269 4.490 10.069 1.00 12.99 C ATOM 621 CE1 TYR A 83 27.685 2.924 11.751 1.00 11.66 C ATOM 622 CE2 TYR A 83 29.843 3.383 10.793 1.00 13.68 C ATOM 623 CZ TYR A 83 29.026 2.652 11.630 1.00 12.46 C ATOM 624 OH TYR A 83 29.591 1.590 12.316 1.00 13.38 O ATOM 625 HH TYR A 83 28.900 1.155 12.876 1.00 0.00 H ATOM 626 H TYR A 83 25.271 6.525 10.996 1.00 0.00 H ATOM 627 N ASP A 84 28.005 9.122 9.101 1.00 11.50 N ATOM 628 CA ASP A 84 27.933 10.064 7.979 1.00 11.97 C ATOM 629 C ASP A 84 28.026 9.354 6.636 1.00 10.94 C ATOM 630 O ASP A 84 28.393 8.175 6.567 1.00 11.12 O ATOM 631 CB ASP A 84 29.097 11.007 8.128 1.00 15.61 C ATOM 632 CG ASP A 84 28.963 11.846 9.372 1.00 19.21 C ATOM 633 OD1 ASP A 84 27.879 12.394 9.620 1.00 24.12 O ATOM 634 OD2 ASP A 84 29.960 11.920 10.154 1.00 26.78 O ATOM 635 H ASP A 84 28.887 9.027 9.645 1.00 0.00 H ATOM 636 N VAL A 85 27.669 10.099 5.633 1.00 10.05 N ATOM 637 CA VAL A 85 27.612 9.562 4.271 1.00 9.61 C ATOM 638 C VAL A 85 28.614 10.270 3.372 1.00 11.13 C ATOM 639 O VAL A 85 28.617 11.484 3.239 1.00 13.64 O ATOM 640 CB VAL A 85 26.159 9.704 3.732 1.00 11.94 C ATOM 641 CG1 VAL A 85 26.022 9.350 2.251 1.00 13.03 C ATOM 642 CG2 VAL A 85 25.195 8.783 4.599 1.00 12.21 C ATOM 643 H VAL A 85 27.419 11.095 5.800 1.00 0.00 H ATOM 644 N LEU A 86 29.443 9.467 2.739 1.00 9.25 N ATOM 645 CA LEU A 86 30.432 9.999 1.771 1.00 10.77 C ATOM 646 C LEU A 86 29.776 10.382 0.463 1.00 12.45 C ATOM 647 O LEU A 86 30.082 11.469 -0.089 1.00 15.20 O ATOM 648 CB LEU A 86 31.453 8.923 1.532 1.00 14.44 C ATOM 649 CG LEU A 86 32.733 9.107 0.796 1.00 14.62 C ATOM 650 CD1 LEU A 86 33.553 10.314 1.277 1.00 15.33 C ATOM 651 CD2 LEU A 86 33.588 7.870 0.877 1.00 19.22 C ATOM 652 H LEU A 86 29.404 8.444 2.921 1.00 0.00 H ATOM 653 N ARG A 87 28.879 9.536 -0.013 1.00 13.57 N ATOM 654 CA ARG A 87 28.219 9.659 -1.295 1.00 16.52 C ATOM 655 C ARG A 87 26.793 9.123 -1.281 1.00 12.62 C ATOM 656 O ARG A 87 26.604 8.081 -0.681 1.00 11.86 O ATOM 657 CB ARG A 87 28.966 8.759 -2.398 1.00 18.66 C ATOM 658 CG ARG A 87 30.229 9.181 -2.822 1.00 22.64 C ATOM 659 CD ARG A 87 30.111 8.650 -4.146 1.00 25.39 C ATOM 660 NE ARG A 87 30.779 7.425 -4.071 1.00 23.70 N ATOM 661 CZ ARG A 87 30.761 6.513 -5.082 1.00 22.35 C ATOM 662 NH1 ARG A 87 29.976 6.694 -6.219 1.00 23.94 N ATOM 663 NH2 ARG A 87 31.545 5.409 -4.952 1.00 23.65 N ATOM 664 HE ARG A 87 31.312 7.200 -3.207 1.00 0.00 H ATOM 665 HH12 ARG A 87 29.983 5.980 -6.975 1.00 0.00 H ATOM 666 HH11 ARG A 87 29.383 7.543 -6.312 1.00 0.00 H ATOM 667 HH22 ARG A 87 31.559 4.690 -5.703 1.00 0.00 H ATOM 668 HH21 ARG A 87 32.131 5.284 -4.102 1.00 0.00 H ATOM 669 H ARG A 87 28.628 8.719 0.579 1.00 0.00 H ATOM 670 N ALA A 88 25.854 9.836 -1.920 1.00 13.25 N ATOM 671 CA ALA A 88 24.511 9.315 -2.155 1.00 11.83 C ATOM 672 C ALA A 88 24.404 9.132 -3.660 1.00 10.46 C ATOM 673 O ALA A 88 24.672 10.044 -4.407 1.00 13.63 O ATOM 674 CB ALA A 88 23.483 10.361 -1.715 1.00 13.28 C ATOM 675 H ALA A 88 26.090 10.790 -2.259 1.00 0.00 H ATOM 676 N VAL A 89 23.979 7.948 -4.077 1.00 9.12 N ATOM 677 CA VAL A 89 23.949 7.570 -5.480 1.00 9.21 C ATOM 678 C VAL A 89 22.554 7.097 -5.900 1.00 8.16 C ATOM 679 O VAL A 89 22.208 5.946 -5.751 1.00 7.82 O ATOM 680 CB VAL A 89 24.952 6.485 -5.787 1.00 9.44 C ATOM 681 CG1 VAL A 89 25.097 6.259 -7.282 1.00 12.90 C ATOM 682 CG2 VAL A 89 26.379 6.762 -5.183 1.00 12.89 C ATOM 683 H VAL A 89 23.653 7.259 -3.369 1.00 0.00 H ATOM 684 N PRO A 90 21.703 8.025 -6.305 1.00 9.07 N ATOM 685 CA PRO A 90 20.402 7.617 -6.835 1.00 9.66 C ATOM 686 C PRO A 90 20.537 6.852 -8.116 1.00 8.29 C ATOM 687 O PRO A 90 21.455 7.113 -8.890 1.00 10.09 O ATOM 688 CB PRO A 90 19.637 8.937 -7.029 1.00 11.12 C ATOM 689 CG PRO A 90 20.687 9.955 -7.199 1.00 12.50 C ATOM 690 CD PRO A 90 21.914 9.473 -6.433 1.00 12.24 C ATOM 691 N HIS A 91 19.590 5.956 -8.421 1.00 9.81 N ATOM 692 CA HIS A 91 19.642 5.250 -9.712 1.00 8.54 C ATOM 693 C HIS A 91 19.547 6.323 -10.859 1.00 8.91 C ATOM 694 O HIS A 91 18.703 7.213 -10.779 1.00 10.17 O ATOM 695 CB HIS A 91 18.510 4.267 -9.823 1.00 9.07 C ATOM 696 CG HIS A 91 18.656 3.369 -10.971 1.00 8.89 C ATOM 697 ND1 HIS A 91 18.479 3.797 -12.263 1.00 10.74 N ATOM 698 CD2 HIS A 91 19.083 2.099 -11.021 1.00 10.85 C ATOM 699 CE1 HIS A 91 18.744 2.781 -13.086 1.00 11.30 C ATOM 700 NE2 HIS A 91 19.085 1.714 -12.353 1.00 11.47 N ATOM 701 H HIS A 91 18.821 5.760 -7.749 1.00 0.00 H ATOM 702 N PRO A 92 20.435 6.239 -11.871 1.00 9.15 N ATOM 703 CA PRO A 92 20.436 7.307 -12.896 1.00 11.17 C ATOM 704 C PRO A 92 19.115 7.390 -13.684 1.00 12.00 C ATOM 705 O PRO A 92 18.919 8.449 -14.308 1.00 13.62 O ATOM 706 CB PRO A 92 21.553 6.851 -13.860 1.00 14.20 C ATOM 707 CG PRO A 92 22.100 5.794 -13.377 1.00 17.31 C ATOM 708 CD PRO A 92 21.530 5.338 -12.027 1.00 10.59 C ATOM 709 N ASP A 93 18.283 6.337 -13.707 1.00 11.13 N ATOM 710 CA ASP A 93 17.030 6.363 -14.444 1.00 11.54 C ATOM 711 C ASP A 93 15.857 6.750 -13.542 1.00 10.94 C ATOM 712 O ASP A 93 14.699 6.766 -13.992 1.00 13.78 O ATOM 713 CB ASP A 93 16.747 5.008 -15.134 1.00 11.32 C ATOM 714 CG ASP A 93 17.744 4.704 -16.184 1.00 12.31 C ATOM 715 OD1 ASP A 93 17.935 5.501 -17.125 1.00 13.30 O ATOM 716 OD2 ASP A 93 18.464 3.710 -16.079 1.00 15.96 O ATOM 717 H ASP A 93 18.542 5.477 -13.182 1.00 0.00 H ATOM 718 N SER A 94 16.099 7.028 -12.245 1.00 11.34 N ATOM 719 CA SER A 94 14.999 7.454 -11.366 1.00 12.66 C ATOM 720 C SER A 94 14.532 8.860 -11.758 1.00 13.67 C ATOM 721 O SER A 94 15.330 9.650 -12.281 1.00 16.25 O ATOM 722 CB SER A 94 15.486 7.345 -9.926 1.00 13.14 C ATOM 723 OG SER A 94 16.545 8.235 -9.638 1.00 13.89 O ATOM 724 HG SER A 94 17.311 8.038 -10.233 1.00 0.00 H ATOM 725 H SER A 94 17.064 6.941 -11.866 1.00 0.00 H ATOM 726 N GLN A 95 13.266 9.175 -11.497 1.00 15.45 N ATOM 727 CA GLN A 95 12.736 10.493 -11.850 1.00 17.36 C ATOM 728 C GLN A 95 11.687 10.829 -10.836 1.00 16.42 C ATOM 729 O GLN A 95 10.951 9.954 -10.390 1.00 16.23 O ATOM 730 CB GLN A 95 12.007 10.486 -13.200 1.00 19.76 C ATOM 731 CG GLN A 95 12.874 10.320 -14.394 1.00 23.21 C ATOM 732 CD GLN A 95 12.044 10.241 -15.661 1.00 29.30 C ATOM 733 OE1 GLN A 95 11.743 11.273 -16.291 1.00 36.03 O ATOM 734 NE2 GLN A 95 11.620 9.035 -16.020 1.00 33.50 N ATOM 735 HE22 GLN A 95 11.896 8.200 -15.465 1.00 0.00 H ATOM 736 HE21 GLN A 95 11.012 8.925 -16.857 1.00 0.00 H ATOM 737 H GLN A 95 12.646 8.478 -11.037 1.00 0.00 H ATOM 738 N PRO A 96 11.535 12.104 -10.491 1.00 18.29 N ATOM 739 CA PRO A 96 10.428 12.498 -9.565 1.00 20.33 C ATOM 740 C PRO A 96 9.090 12.031 -10.099 1.00 22.10 C ATOM 741 O PRO A 96 8.895 11.994 -11.306 1.00 24.77 O ATOM 742 CB PRO A 96 10.465 14.024 -9.594 1.00 21.62 C ATOM 743 CG PRO A 96 11.924 14.349 -9.869 1.00 24.66 C ATOM 744 CD PRO A 96 12.462 13.217 -10.764 1.00 21.17 C ATOM 745 N ASP A 97 8.167 11.597 -9.287 1.00 22.94 N ATOM 746 CA ASP A 97 6.824 11.390 -10.107 1.00 26.15 C ATOM 747 C ASP A 97 6.755 10.116 -11.017 1.00 25.20 C ATOM 748 O ASP A 97 5.720 9.834 -11.629 1.00 26.43 O ATOM 749 CB ASP A 97 6.307 12.574 -10.990 1.00 28.50 C ATOM 750 CG ASP A 97 6.086 13.848 -10.217 1.00 28.89 C ATOM 751 OD1 ASP A 97 5.951 13.785 -8.963 1.00 39.82 O ATOM 752 OD2 ASP A 97 6.107 14.903 -10.886 1.00 38.75 O ATOM 753 H ASP A 97 8.290 11.416 -8.270 1.00 0.00 H ATOM 754 N THR A 98 7.808 9.293 -11.064 1.00 22.43 N ATOM 755 CA THR A 98 7.607 7.892 -11.537 1.00 20.08 C ATOM 756 C THR A 98 7.961 6.936 -10.372 1.00 18.04 C ATOM 757 O THR A 98 8.669 7.316 -9.492 1.00 17.80 O ATOM 758 CB THR A 98 8.503 7.452 -12.714 1.00 20.70 C ATOM 759 OG1 THR A 98 9.834 7.366 -12.221 1.00 23.86 O ATOM 760 CG2 THR A 98 8.440 8.389 -13.878 1.00 22.88 C ATOM 761 HG1 THR A 98 10.438 7.085 -12.953 1.00 0.00 H ATOM 762 H THR A 98 8.751 9.624 -10.776 1.00 0.00 H ATOM 763 N ILE A 99 7.488 5.701 -10.445 1.00 16.04 N ATOM 764 CA ILE A 99 7.759 4.685 -9.427 1.00 15.80 C ATOM 765 C ILE A 99 8.938 3.800 -9.902 1.00 14.44 C ATOM 766 O ILE A 99 9.321 2.867 -9.182 1.00 15.59 O ATOM 767 CB ILE A 99 6.527 3.807 -9.025 1.00 17.40 C ATOM 768 CG1 ILE A 99 6.057 2.951 -10.201 1.00 17.02 C ATOM 769 CG2 ILE A 99 5.375 4.724 -8.422 1.00 22.39 C ATOM 770 CD1 ILE A 99 4.945 1.937 -9.715 1.00 20.59 C ATOM 771 H ILE A 99 6.898 5.442 -11.261 1.00 0.00 H ATOM 772 N ASP A 100 9.451 4.075 -11.087 1.00 12.64 N ATOM 773 CA ASP A 100 10.455 3.141 -11.618 1.00 11.35 C ATOM 774 C ASP A 100 11.874 3.443 -11.216 1.00 11.09 C ATOM 775 O ASP A 100 12.237 4.610 -11.042 1.00 11.49 O ATOM 776 CB ASP A 100 10.375 3.134 -13.158 1.00 13.52 C ATOM 777 CG ASP A 100 8.991 2.879 -13.643 1.00 15.78 C ATOM 778 OD1 ASP A 100 8.376 1.853 -13.299 1.00 15.97 O ATOM 779 OD2 ASP A 100 8.424 3.776 -14.281 1.00 22.78 O ATOM 780 H ASP A 100 9.157 4.917 -11.622 1.00 0.00 H ATOM 781 N HIS A 101 12.673 2.384 -11.071 1.00 10.68 N ATOM 782 CA HIS A 101 14.098 2.581 -10.767 1.00 10.07 C ATOM 783 C HIS A 101 14.319 3.336 -9.463 1.00 10.20 C ATOM 784 O HIS A 101 15.267 4.095 -9.352 1.00 10.36 O ATOM 785 CB HIS A 101 14.849 3.278 -11.919 1.00 11.65 C ATOM 786 CG HIS A 101 14.290 2.877 -13.253 1.00 12.88 C ATOM 787 ND1 HIS A 101 14.232 1.551 -13.663 1.00 14.26 N ATOM 788 CD2 HIS A 101 13.702 3.611 -14.225 1.00 13.93 C ATOM 789 CE1 HIS A 101 13.615 1.504 -14.833 1.00 16.12 C ATOM 790 NE2 HIS A 101 13.366 2.741 -15.230 1.00 17.09 N ATOM 791 H HIS A 101 12.289 1.423 -11.173 1.00 0.00 H ATOM 792 N ASP A 102 13.455 3.089 -8.441 1.00 9.16 N ATOM 793 CA ASP A 102 13.464 3.969 -7.269 1.00 9.24 C ATOM 794 C ASP A 102 14.444 3.462 -6.196 1.00 9.21 C ATOM 795 O ASP A 102 14.037 3.062 -5.099 1.00 8.82 O ATOM 796 CB ASP A 102 12.021 4.019 -6.697 1.00 9.71 C ATOM 797 CG ASP A 102 11.875 4.996 -5.608 1.00 8.42 C ATOM 798 OD1 ASP A 102 12.680 5.931 -5.419 1.00 9.34 O ATOM 799 OD2 ASP A 102 10.906 4.818 -4.809 1.00 11.22 O ATOM 800 H ASP A 102 12.796 2.286 -8.491 1.00 0.00 H ATOM 801 N LEU A 103 15.725 3.423 -6.496 1.00 8.34 N ATOM 802 CA LEU A 103 16.762 2.895 -5.678 1.00 7.30 C ATOM 803 C LEU A 103 17.803 3.954 -5.445 1.00 6.98 C ATOM 804 O LEU A 103 18.074 4.817 -6.312 1.00 7.28 O ATOM 805 CB LEU A 103 17.401 1.667 -6.231 1.00 8.19 C ATOM 806 CG LEU A 103 16.531 0.427 -6.339 1.00 7.93 C ATOM 807 CD1 LEU A 103 17.318 -0.689 -6.950 1.00 11.32 C ATOM 808 CD2 LEU A 103 15.963 -0.033 -4.991 1.00 9.30 C ATOM 809 H LEU A 103 16.005 3.815 -7.418 1.00 0.00 H ATOM 810 N LEU A 104 18.459 3.877 -4.289 1.00 6.88 N ATOM 811 CA LEU A 104 19.482 4.824 -3.897 1.00 7.44 C ATOM 812 C LEU A 104 20.533 4.079 -3.090 1.00 6.16 C ATOM 813 O LEU A 104 20.137 3.347 -2.173 1.00 7.51 O ATOM 814 CB LEU A 104 18.819 5.912 -3.020 1.00 11.74 C ATOM 815 CG LEU A 104 19.780 6.758 -2.012 1.00 15.45 C ATOM 816 CD1 LEU A 104 20.170 7.482 -3.111 1.00 13.57 C ATOM 817 CD2 LEU A 104 18.884 7.451 -1.057 1.00 16.38 C ATOM 818 H LEU A 104 18.226 3.101 -3.637 1.00 0.00 H ATOM 819 N LEU A 105 21.825 4.258 -3.386 1.00 6.87 N ATOM 820 CA LEU A 105 22.870 3.684 -2.580 1.00 5.73 C ATOM 821 C LEU A 105 23.580 4.749 -1.793 1.00 5.95 C ATOM 822 O LEU A 105 23.978 5.802 -2.365 1.00 7.45 O ATOM 823 CB LEU A 105 23.819 2.865 -3.456 1.00 7.52 C ATOM 824 CG LEU A 105 23.332 1.467 -3.716 1.00 7.16 C ATOM 825 CD1 LEU A 105 24.092 0.856 -4.990 1.00 8.90 C ATOM 826 CD2 LEU A 105 23.478 0.575 -2.491 1.00 7.51 C ATOM 827 H LEU A 105 22.081 4.826 -4.219 1.00 0.00 H ATOM 828 N LEU A 106 23.796 4.529 -0.503 1.00 6.60 N ATOM 829 CA LEU A 106 24.519 5.463 0.374 1.00 7.45 C ATOM 830 C LEU A 106 25.804 4.801 0.791 1.00 7.28 C ATOM 831 O LEU A 106 25.817 3.724 1.389 1.00 8.06 O ATOM 832 CB LEU A 106 23.644 5.675 1.612 1.00 7.09 C ATOM 833 CG LEU A 106 22.316 6.364 1.297 1.00 7.82 C ATOM 834 CD1 LEU A 106 21.416 6.349 2.530 1.00 11.99 C ATOM 835 CD2 LEU A 106 22.533 7.797 0.855 1.00 13.05 C ATOM 836 H LEU A 106 23.434 3.647 -0.088 1.00 0.00 H ATOM 837 N GLN A 107 26.912 5.494 0.465 1.00 7.36 N ATOM 838 CA GLN A 107 28.215 5.009 0.914 1.00 8.05 C ATOM 839 C GLN A 107 28.523 5.653 2.253 1.00 7.94 C ATOM 840 O GLN A 107 28.642 6.879 2.347 1.00 8.86 O ATOM 841 CB GLN A 107 29.240 5.404 -0.098 1.00 10.03 C ATOM 842 CG GLN A 107 30.592 4.710 0.208 1.00 11.18 C ATOM 843 CD GLN A 107 31.688 5.121 -0.800 1.00 12.24 C ATOM 844 OE1 GLN A 107 31.539 6.107 -1.499 1.00 16.98 O ATOM 845 NE2 GLN A 107 32.769 4.374 -0.829 1.00 16.58 N ATOM 846 HE22 GLN A 107 32.843 3.542 -0.209 1.00 0.00 H ATOM 847 HE21 GLN A 107 33.550 4.615 -1.472 1.00 0.00 H ATOM 848 H GLN A 107 26.841 6.364 -0.100 1.00 0.00 H ATOM 849 N LEU A 108 28.674 4.821 3.277 1.00 8.54 N ATOM 850 CA LEU A 108 29.023 5.347 4.597 1.00 8.57 C ATOM 851 C LEU A 108 30.427 5.911 4.575 1.00 7.95 C ATOM 852 O LEU A 108 31.290 5.537 3.779 1.00 9.35 O ATOM 853 CB LEU A 108 28.891 4.209 5.583 1.00 8.26 C ATOM 854 CG LEU A 108 27.547 3.438 5.639 1.00 9.03 C ATOM 855 CD1 LEU A 108 27.672 2.345 6.737 1.00 11.62 C ATOM 856 CD2 LEU A 108 26.405 4.398 5.867 1.00 10.73 C ATOM 857 H LEU A 108 28.545 3.798 3.141 1.00 0.00 H ATOM 858 N SER A 109 30.681 6.831 5.514 1.00 9.10 N ATOM 859 CA SER A 109 32.055 7.471 5.619 1.00 10.20 C ATOM 860 C SER A 109 33.103 6.454 5.944 1.00 9.73 C ATOM 861 O SER A 109 34.265 6.679 5.603 1.00 11.92 O ATOM 862 CB SER A 109 32.014 8.564 6.650 1.00 14.12 C ATOM 863 OG SER A 109 31.602 8.033 7.928 1.00 23.77 O ATOM 864 HG SER A 109 31.580 8.763 8.596 1.00 0.00 H ATOM 865 H SER A 109 29.931 7.110 6.178 1.00 0.00 H ATOM 866 N GLU A 110 32.764 5.351 6.570 1.00 10.12 N ATOM 867 CA GLU A 110 33.702 4.314 6.830 1.00 12.69 C ATOM 868 C GLU A 110 32.905 3.013 6.880 1.00 10.75 C ATOM 869 O GLU A 110 31.690 3.038 7.028 1.00 10.47 O ATOM 870 CB GLU A 110 34.564 4.501 8.046 1.00 15.90 C ATOM 871 CG GLU A 110 33.799 4.580 9.246 1.00 17.74 C ATOM 872 CD GLU A 110 34.795 4.790 10.459 1.00 21.89 C ATOM 873 OE1 GLU A 110 35.879 4.185 10.527 1.00 26.39 O ATOM 874 OE2 GLU A 110 34.434 5.578 11.269 1.00 28.61 O ATOM 875 H GLU A 110 31.780 5.232 6.885 1.00 0.00 H ATOM 876 N LYS A 111 33.570 1.864 6.744 1.00 12.07 N ATOM 877 CA LYS A 111 32.929 0.581 6.904 1.00 12.06 C ATOM 878 C LYS A 111 32.237 0.497 8.274 1.00 12.16 C ATOM 879 O LYS A 111 32.803 0.955 9.288 1.00 13.09 O ATOM 880 CB LYS A 111 33.912 -0.576 6.693 1.00 16.82 C ATOM 881 CG LYS A 111 34.438 -0.717 5.246 1.00 21.86 C ATOM 882 CD LYS A 111 35.476 -1.841 5.054 1.00 32.35 C ATOM 883 CE LYS A 111 36.890 -1.294 4.735 1.00 36.38 C ATOM 884 NZ LYS A 111 37.948 -2.357 4.937 1.00 40.43 N ATOM 885 HZ1 LYS A 111 37.931 -2.677 5.926 1.00 0.00 H ATOM 886 HZ2 LYS A 111 37.754 -3.162 4.308 1.00 0.00 H ATOM 887 HZ3 LYS A 111 38.883 -1.960 4.715 1.00 0.00 H ATOM 888 H LYS A 111 34.584 1.894 6.515 1.00 0.00 H ATOM 889 N ALA A 112 31.034 -0.047 8.299 1.00 10.46 N ATOM 890 CA ALA A 112 30.307 -0.210 9.542 1.00 10.65 C ATOM 891 C ALA A 112 31.036 -1.213 10.445 1.00 11.29 C ATOM 892 O ALA A 112 31.556 -2.215 9.958 1.00 13.38 O ATOM 893 CB ALA A 112 28.964 -0.667 9.243 1.00 12.62 C ATOM 894 H ALA A 112 30.600 -0.365 7.409 1.00 0.00 H ATOM 895 N THR A 113 31.020 -0.932 11.729 1.00 12.66 N ATOM 896 CA THR A 113 31.481 -1.910 12.731 1.00 13.43 C ATOM 897 C THR A 113 30.453 -3.027 12.867 1.00 12.21 C ATOM 898 O THR A 113 29.284 -2.758 13.170 1.00 14.14 O ATOM 899 CB THR A 113 31.617 -1.189 14.117 1.00 15.32 C ATOM 900 OG1 THR A 113 32.537 -0.132 14.006 1.00 19.81 O ATOM 901 CG2 THR A 113 31.994 -2.200 15.265 1.00 19.91 C ATOM 902 HG1 THR A 113 32.622 0.323 14.881 1.00 0.00 H ATOM 903 H THR A 113 30.676 -0.002 12.044 1.00 0.00 H ATOM 904 N LEU A 114 30.828 -4.251 12.527 1.00 12.47 N ATOM 905 CA LEU A 114 29.851 -5.361 12.468 1.00 13.06 C ATOM 906 C LEU A 114 29.823 -6.036 13.781 1.00 13.80 C ATOM 907 O LEU A 114 30.810 -6.097 14.550 1.00 16.61 O ATOM 908 CB LEU A 114 30.180 -6.339 11.321 1.00 14.86 C ATOM 909 CG LEU A 114 30.262 -5.608 9.974 1.00 15.63 C ATOM 910 CD1 LEU A 114 30.463 -6.677 8.932 1.00 19.39 C ATOM 911 CD2 LEU A 114 29.059 -4.787 9.586 1.00 12.70 C ATOM 912 H LEU A 114 31.826 -4.435 12.298 1.00 0.00 H ATOM 913 N GLY A 115 28.714 -6.693 14.027 1.00 14.36 N ATOM 914 CA GLY A 115 28.570 -7.555 15.224 1.00 15.94 C ATOM 915 C GLY A 115 27.186 -8.120 15.184 1.00 15.07 C ATOM 916 O GLY A 115 26.463 -8.001 14.195 1.00 15.37 O ATOM 917 H GLY A 115 27.916 -6.607 13.365 1.00 0.00 H ATOM 918 N PRO A 118 26.683 -8.611 16.375 1.00 14.14 N ATOM 919 CA PRO A 118 25.398 -9.270 16.324 1.00 15.01 C ATOM 920 C PRO A 118 24.209 -8.322 15.986 1.00 13.68 C ATOM 921 O PRO A 118 23.183 -8.836 15.473 1.00 14.19 O ATOM 922 CB PRO A 118 25.252 -9.861 17.736 1.00 16.05 C ATOM 923 CG PRO A 118 26.668 -10.025 18.237 1.00 19.24 C ATOM 924 CD PRO A 118 27.473 -8.876 17.590 1.00 15.84 C ATOM 925 N ALA A 119 24.373 -6.999 16.181 1.00 12.82 N ATOM 926 CA ALA A 119 23.293 -6.077 15.949 1.00 11.41 C ATOM 927 C ALA A 119 23.507 -5.263 14.685 1.00 9.73 C ATOM 928 O ALA A 119 22.667 -4.466 14.363 1.00 10.02 O ATOM 929 CB ALA A 119 23.180 -5.146 17.173 1.00 13.96 C ATOM 930 H ALA A 119 25.294 -6.639 16.504 1.00 0.00 H ATOM 931 N VAL A 120 24.632 -5.496 14.008 1.00 10.43 N ATOM 932 CA VAL A 120 24.901 -4.764 12.705 1.00 9.78 C ATOM 933 C VAL A 120 25.543 -5.740 11.729 1.00 10.25 C ATOM 934 O VAL A 120 26.690 -6.194 11.929 1.00 10.81 O ATOM 935 CB VAL A 120 25.832 -3.530 12.935 1.00 10.07 C ATOM 936 CG1 VAL A 120 26.051 -2.831 11.606 1.00 11.94 C ATOM 937 CG2 VAL A 120 25.231 -2.515 13.952 1.00 10.92 C ATOM 938 H VAL A 120 25.326 -6.180 14.373 1.00 0.00 H ATOM 939 N ARG A 121 24.821 -6.099 10.691 1.00 9.66 N ATOM 940 CA ARG A 121 25.317 -7.125 9.747 1.00 12.21 C ATOM 941 C ARG A 121 24.612 -6.903 8.401 1.00 9.18 C ATOM 942 O ARG A 121 23.414 -6.715 8.382 1.00 10.26 O ATOM 943 CB ARG A 121 24.981 -8.538 10.255 1.00 14.70 C ATOM 944 CG ARG A 121 25.481 -9.680 9.443 1.00 20.98 C ATOM 945 CD ARG A 121 26.967 -10.017 9.650 1.00 28.97 C ATOM 946 NE ARG A 121 27.401 -10.104 11.055 1.00 32.74 N ATOM 947 CZ ARG A 121 28.675 -10.072 11.440 1.00 34.02 C ATOM 948 NH1 ARG A 121 29.625 -9.931 10.501 1.00 32.47 N ATOM 949 NH2 ARG A 121 28.995 -10.156 12.747 1.00 32.19 N ATOM 950 HE ARG A 121 26.670 -10.196 11.789 1.00 0.00 H ATOM 951 HH12 ARG A 121 30.628 -9.903 10.776 1.00 0.00 H ATOM 952 HH11 ARG A 121 29.358 -9.850 9.499 1.00 0.00 H ATOM 953 HH22 ARG A 121 29.992 -10.130 13.041 1.00 0.00 H ATOM 954 HH21 ARG A 121 28.245 -10.246 13.461 1.00 0.00 H ATOM 955 H ARG A 121 23.893 -5.658 10.532 1.00 0.00 H ATOM 956 N PRO A 122 25.370 -6.921 7.286 1.00 8.90 N ATOM 957 CA PRO A 122 24.676 -6.834 5.998 1.00 8.89 C ATOM 958 C PRO A 122 23.745 -8.014 5.750 1.00 8.58 C ATOM 959 O PRO A 122 24.026 -9.128 6.205 1.00 11.05 O ATOM 960 CB PRO A 122 25.806 -6.809 4.955 1.00 9.94 C ATOM 961 CG PRO A 122 27.041 -6.310 5.732 1.00 14.65 C ATOM 962 CD PRO A 122 26.824 -6.956 7.156 1.00 11.77 C ATOM 963 N LEU A 123 22.707 -7.770 4.983 1.00 7.68 N ATOM 964 CA LEU A 123 21.757 -8.797 4.608 1.00 9.03 C ATOM 965 C LEU A 123 22.099 -9.314 3.229 1.00 8.61 C ATOM 966 O LEU A 123 22.215 -8.522 2.261 1.00 9.80 O ATOM 967 CB LEU A 123 20.337 -8.195 4.567 1.00 10.17 C ATOM 968 CG LEU A 123 19.229 -9.143 4.188 1.00 12.24 C ATOM 969 CD1 LEU A 123 19.129 -10.289 5.184 1.00 14.28 C ATOM 970 CD2 LEU A 123 17.870 -8.392 4.206 1.00 11.36 C ATOM 971 H LEU A 123 22.562 -6.802 4.631 1.00 0.00 H ATOM 972 N PRO A 124 22.238 -10.628 3.037 1.00 9.10 N ATOM 973 CA PRO A 124 22.393 -11.151 1.687 1.00 9.69 C ATOM 974 C PRO A 124 21.215 -10.737 0.797 1.00 8.70 C ATOM 975 O PRO A 124 20.035 -10.750 1.265 1.00 9.26 O ATOM 976 CB PRO A 124 22.438 -12.694 1.899 1.00 11.76 C ATOM 977 CG PRO A 124 22.939 -12.826 3.231 1.00 14.74 C ATOM 978 CD PRO A 124 22.278 -11.711 4.047 1.00 12.32 C ATOM 979 N TRP A 124A 21.474 -10.479 -0.477 1.00 8.52 N ATOM 980 CA TRP A 124A 20.439 -9.968 -1.316 1.00 8.68 C ATOM 981 C TRP A 124A 20.292 -10.801 -2.590 1.00 8.90 C ATOM 982 O TRP A 124A 21.260 -11.409 -3.074 1.00 9.43 O ATOM 983 CB TRP A 124A 20.641 -8.451 -1.599 1.00 10.16 C ATOM 984 CG TRP A 124A 21.912 -8.074 -2.234 1.00 11.64 C ATOM 985 CD1 TRP A 124A 23.101 -7.749 -1.574 1.00 11.31 C ATOM 986 CD2 TRP A 124A 22.130 -7.856 -3.640 1.00 10.14 C ATOM 987 NE1 TRP A 124A 24.015 -7.382 -2.517 1.00 13.61 N ATOM 988 CE2 TRP A 124A 23.456 -7.411 -3.788 1.00 13.04 C ATOM 989 CE3 TRP A 124A 21.325 -7.990 -4.757 1.00 12.26 C ATOM 990 CZ2 TRP A 124A 23.988 -7.116 -5.040 1.00 12.38 C ATOM 991 CZ3 TRP A 124A 21.801 -7.625 -6.000 1.00 14.14 C ATOM 992 CH2 TRP A 124A 23.180 -7.234 -6.157 1.00 14.16 C ATOM 993 HE1 TRP A 124A 24.999 -7.116 -2.312 1.00 0.00 H ATOM 994 H TRP A 124A 22.425 -10.648 -0.863 1.00 0.00 H ATOM 995 N GLN A 125 19.103 -10.820 -3.145 1.00 8.74 N ATOM 996 CA GLN A 125 18.760 -11.731 -4.251 1.00 8.99 C ATOM 997 C GLN A 125 19.370 -11.268 -5.545 1.00 9.93 C ATOM 998 O GLN A 125 19.092 -10.191 -6.024 1.00 11.26 O ATOM 999 CB GLN A 125 17.252 -11.810 -4.335 1.00 9.59 C ATOM 1000 CG GLN A 125 16.719 -12.759 -5.399 1.00 11.33 C ATOM 1001 CD GLN A 125 17.190 -14.159 -5.054 1.00 11.53 C ATOM 1002 OE1 GLN A 125 18.187 -14.641 -5.574 1.00 13.69 O ATOM 1003 NE2 GLN A 125 16.501 -14.780 -4.118 1.00 15.71 N ATOM 1004 HE22 GLN A 125 15.659 -14.329 -3.706 1.00 0.00 H ATOM 1005 HE21 GLN A 125 16.799 -15.721 -3.791 1.00 0.00 H ATOM 1006 H GLN A 125 18.375 -10.167 -2.791 1.00 0.00 H ATOM 1007 N ARG A 126 20.067 -12.199 -6.202 1.00 11.89 N ATOM 1008 CA ARG A 126 20.471 -11.983 -7.596 1.00 14.12 C ATOM 1009 C ARG A 126 19.766 -12.797 -8.640 1.00 14.91 C ATOM 1010 O ARG A 126 19.855 -12.508 -9.860 1.00 18.04 O ATOM 1011 CB ARG A 126 21.979 -12.251 -7.655 1.00 17.46 C ATOM 1012 CG ARG A 126 22.799 -11.220 -6.891 1.00 15.69 C ATOM 1013 CD ARG A 126 24.329 -11.438 -6.997 1.00 24.15 C ATOM 1014 NE ARG A 126 24.870 -11.022 -5.734 1.00 28.59 N ATOM 1015 CZ ARG A 126 25.664 -10.014 -5.406 1.00 33.64 C ATOM 1016 NH1 ARG A 126 26.214 -9.197 -6.322 1.00 28.93 N ATOM 1017 NH2 ARG A 126 25.935 -9.868 -4.085 1.00 32.55 N ATOM 1018 HE ARG A 126 24.587 -11.620 -4.932 1.00 0.00 H ATOM 1019 HH12 ARG A 126 26.832 -8.417 -6.019 1.00 0.00 H ATOM 1020 HH11 ARG A 126 26.021 -9.345 -7.333 1.00 0.00 H ATOM 1021 HH22 ARG A 126 26.552 -9.095 -3.763 1.00 0.00 H ATOM 1022 HH21 ARG A 126 25.526 -10.529 -3.394 1.00 0.00 H ATOM 1023 H ARG A 126 20.326 -13.084 -5.721 1.00 0.00 H ATOM 1024 N VAL A 127 19.071 -13.819 -8.220 1.00 14.68 N ATOM 1025 CA VAL A 127 18.402 -14.663 -9.196 1.00 14.65 C ATOM 1026 C VAL A 127 17.165 -13.893 -9.635 1.00 12.78 C ATOM 1027 O VAL A 127 16.298 -13.630 -8.776 1.00 13.56 O ATOM 1028 CB VAL A 127 18.022 -15.964 -8.569 1.00 17.36 C ATOM 1029 CG1 VAL A 127 17.121 -16.757 -9.595 1.00 20.07 C ATOM 1030 CG2 VAL A 127 19.339 -16.732 -8.148 1.00 19.98 C ATOM 1031 H VAL A 127 18.997 -14.026 -7.203 1.00 0.00 H ATOM 1032 N ASP A 128 17.056 -13.544 -10.925 1.00 12.95 N ATOM 1033 CA ASP A 128 15.995 -12.696 -11.401 1.00 13.31 C ATOM 1034 C ASP A 128 14.806 -13.516 -11.804 1.00 14.30 C ATOM 1035 O ASP A 128 14.533 -13.646 -13.018 1.00 17.11 O ATOM 1036 CB ASP A 128 16.502 -11.826 -12.549 1.00 14.32 C ATOM 1037 CG ASP A 128 15.559 -10.698 -12.883 1.00 13.54 C ATOM 1038 OD1 ASP A 128 14.629 -10.429 -12.130 1.00 16.49 O ATOM 1039 OD2 ASP A 128 15.747 -10.022 -13.909 1.00 18.15 O ATOM 1040 H ASP A 128 17.761 -13.897 -11.603 1.00 0.00 H ATOM 1041 N ARG A 129 14.081 -14.050 -10.807 1.00 14.01 N ATOM 1042 CA ARG A 129 12.869 -14.850 -10.999 1.00 16.39 C ATOM 1043 C ARG A 129 11.932 -14.426 -9.863 1.00 14.53 C ATOM 1044 O ARG A 129 12.411 -14.042 -8.778 1.00 16.25 O ATOM 1045 CB ARG A 129 13.104 -16.362 -10.923 1.00 19.52 C ATOM 1046 CG ARG A 129 13.891 -16.848 -12.172 1.00 24.39 C ATOM 1047 CD ARG A 129 13.997 -18.376 -12.304 1.00 31.21 C ATOM 1048 NE ARG A 129 14.782 -19.048 -11.244 1.00 33.17 N ATOM 1049 CZ ARG A 129 16.083 -19.354 -11.346 1.00 34.79 C ATOM 1050 NH1 ARG A 129 16.775 -19.004 -12.419 1.00 36.76 N ATOM 1051 NH2 ARG A 129 16.705 -20.003 -10.372 1.00 37.77 N ATOM 1052 HE ARG A 129 14.292 -19.299 -10.362 1.00 0.00 H ATOM 1053 HH12 ARG A 129 17.784 -19.246 -12.489 1.00 0.00 H ATOM 1054 HH11 ARG A 129 16.310 -18.487 -13.192 1.00 0.00 H ATOM 1055 HH22 ARG A 129 17.715 -20.234 -10.463 1.00 0.00 H ATOM 1056 HH21 ARG A 129 16.183 -20.281 -9.516 1.00 0.00 H ATOM 1057 H ARG A 129 14.402 -13.884 -9.832 1.00 0.00 H ATOM 1058 N ASP A 129A 10.622 -14.540 -10.088 1.00 15.41 N ATOM 1059 CA ASP A 129A 9.600 -14.124 -9.122 1.00 17.33 C ATOM 1060 C ASP A 129A 9.641 -14.952 -7.837 1.00 18.50 C ATOM 1061 O ASP A 129A 9.859 -16.096 -7.927 1.00 21.78 O ATOM 1062 CB ASP A 129A 8.189 -14.140 -9.745 1.00 15.81 C ATOM 1063 CG ASP A 129A 7.904 -12.892 -10.526 1.00 16.86 C ATOM 1064 OD1 ASP A 129A 8.489 -11.808 -10.240 1.00 18.54 O ATOM 1065 OD2 ASP A 129A 7.112 -12.941 -11.456 1.00 19.48 O ATOM 1066 H ASP A 129A 10.310 -14.944 -10.994 1.00 0.00 H ATOM 1067 N VAL A 130 9.463 -14.296 -6.678 1.00 20.08 N ATOM 1068 CA VAL A 130 9.102 -14.929 -5.405 1.00 20.02 C ATOM 1069 C VAL A 130 7.683 -15.668 -5.644 1.00 19.19 C ATOM 1070 O VAL A 130 6.798 -15.098 -6.401 1.00 23.58 O ATOM 1071 CB VAL A 130 9.018 -13.768 -4.290 1.00 19.65 C ATOM 1072 CG1 VAL A 130 8.602 -14.324 -3.000 1.00 18.60 C ATOM 1073 CG2 VAL A 130 10.431 -13.144 -4.100 1.00 23.15 C ATOM 1074 H VAL A 130 9.591 -13.264 -6.684 1.00 0.00 H ATOM 1075 N ALA A 131 7.469 -16.921 -5.171 1.00 17.47 N ATOM 1076 CA ALA A 131 6.160 -17.603 -5.306 1.00 16.51 C ATOM 1077 C ALA A 131 5.076 -16.695 -4.692 1.00 16.09 C ATOM 1078 O ALA A 131 5.247 -16.148 -3.586 1.00 12.84 O ATOM 1079 CB ALA A 131 6.182 -18.982 -4.635 1.00 19.09 C ATOM 1080 H ALA A 131 8.249 -17.420 -4.698 1.00 0.00 H ATOM 1081 N PRO A 132 3.889 -16.625 -5.315 1.00 16.31 N ATOM 1082 CA PRO A 132 2.749 -15.927 -4.741 1.00 14.54 C ATOM 1083 C PRO A 132 2.486 -16.456 -3.357 1.00 12.04 C ATOM 1084 O PRO A 132 2.572 -17.671 -3.148 1.00 12.75 O ATOM 1085 CB PRO A 132 1.571 -16.351 -5.665 1.00 15.65 C ATOM 1086 CG PRO A 132 2.211 -16.783 -6.906 1.00 18.62 C ATOM 1087 CD PRO A 132 3.502 -17.387 -6.545 1.00 19.97 C ATOM 1088 N GLY A 133 2.142 -15.574 -2.445 1.00 9.71 N ATOM 1089 CA GLY A 133 1.794 -15.946 -1.120 1.00 10.92 C ATOM 1090 C GLY A 133 2.968 -16.126 -0.181 1.00 9.69 C ATOM 1091 O GLY A 133 2.788 -16.264 1.007 1.00 11.93 O ATOM 1092 H GLY A 133 2.124 -14.567 -2.704 1.00 0.00 H ATOM 1093 N THR A 134 4.193 -16.094 -0.673 1.00 10.20 N ATOM 1094 CA THR A 134 5.351 -16.179 0.199 1.00 11.83 C ATOM 1095 C THR A 134 5.261 -15.106 1.263 1.00 9.51 C ATOM 1096 O THR A 134 5.037 -13.947 0.939 1.00 10.61 O ATOM 1097 CB THR A 134 6.663 -15.953 -0.618 1.00 12.10 C ATOM 1098 OG1 THR A 134 6.775 -16.988 -1.584 1.00 13.04 O ATOM 1099 CG2 THR A 134 7.883 -15.944 0.287 1.00 15.34 C ATOM 1100 HG1 THR A 134 5.991 -16.961 -2.188 1.00 0.00 H ATOM 1101 H THR A 134 4.330 -16.007 -1.700 1.00 0.00 H ATOM 1102 N LEU A 135 5.469 -15.483 2.490 1.00 11.56 N ATOM 1103 CA LEU A 135 5.393 -14.516 3.578 1.00 12.40 C ATOM 1104 C LEU A 135 6.713 -13.792 3.755 1.00 12.20 C ATOM 1105 O LEU A 135 7.728 -14.488 4.063 1.00 16.47 O ATOM 1106 CB LEU A 135 5.029 -15.247 4.933 1.00 16.16 C ATOM 1107 CG LEU A 135 3.554 -15.517 4.960 1.00 18.06 C ATOM 1108 CD1 LEU A 135 3.420 -16.450 6.196 1.00 20.78 C ATOM 1109 CD2 LEU A 135 2.740 -14.241 5.128 1.00 21.59 C ATOM 1110 H LEU A 135 5.690 -16.478 2.696 1.00 0.00 H ATOM 1111 N CYS A 136 6.741 -12.483 3.604 1.00 11.15 N ATOM 1112 CA CYS A 136 7.987 -11.736 3.690 1.00 10.13 C ATOM 1113 C CYS A 136 7.857 -10.711 4.785 1.00 11.25 C ATOM 1114 O CYS A 136 6.768 -10.256 5.149 1.00 14.68 O ATOM 1115 CB CYS A 136 8.206 -11.012 2.413 1.00 11.94 C ATOM 1116 SG CYS A 136 8.366 -12.153 0.946 1.00 13.44 S ATOM 1117 H CYS A 136 5.854 -11.973 3.419 1.00 0.00 H ATOM 1118 N ASP A 137 8.970 -10.283 5.349 1.00 10.07 N ATOM 1119 CA ASP A 137 8.953 -9.385 6.492 1.00 10.49 C ATOM 1120 C ASP A 137 9.301 -7.999 6.012 1.00 9.76 C ATOM 1121 O ASP A 137 10.293 -7.822 5.287 1.00 11.23 O ATOM 1122 CB ASP A 137 9.958 -9.896 7.501 1.00 13.84 C ATOM 1123 CG ASP A 137 9.994 -9.067 8.758 1.00 19.72 C ATOM 1124 OD1 ASP A 137 9.177 -9.306 9.619 1.00 28.21 O ATOM 1125 OD2 ASP A 137 10.864 -8.111 8.840 1.00 20.99 O ATOM 1126 H ASP A 137 9.884 -10.597 4.966 1.00 0.00 H ATOM 1127 N VAL A 138 8.588 -6.973 6.495 1.00 9.11 N ATOM 1128 CA VAL A 138 8.959 -5.577 6.270 1.00 10.67 C ATOM 1129 C VAL A 138 8.996 -4.887 7.640 1.00 10.85 C ATOM 1130 O VAL A 138 8.102 -5.093 8.439 1.00 13.02 O ATOM 1131 CB VAL A 138 8.031 -4.841 5.310 1.00 12.47 C ATOM 1132 CG1 VAL A 138 6.652 -4.908 5.721 1.00 16.57 C ATOM 1133 CG2 VAL A 138 8.516 -3.405 4.985 1.00 15.14 C ATOM 1134 H VAL A 138 7.735 -7.178 7.053 1.00 0.00 H ATOM 1135 N ALA A 139 9.984 -4.088 7.870 1.00 9.45 N ATOM 1136 CA ALA A 139 10.138 -3.373 9.118 1.00 9.57 C ATOM 1137 C ALA A 139 10.351 -1.928 8.834 1.00 9.11 C ATOM 1138 O ALA A 139 10.892 -1.542 7.782 1.00 8.23 O ATOM 1139 CB ALA A 139 11.309 -3.968 9.869 1.00 9.81 C ATOM 1140 H ALA A 139 10.699 -3.953 7.127 1.00 0.00 H ATOM 1141 N GLY A 140 10.005 -1.076 9.817 1.00 8.14 N ATOM 1142 CA GLY A 140 10.321 0.335 9.712 1.00 8.74 C ATOM 1143 C GLY A 140 9.870 1.174 10.894 1.00 7.62 C ATOM 1144 O GLY A 140 9.151 0.674 11.784 1.00 8.92 O ATOM 1145 H GLY A 140 9.507 -1.432 10.658 1.00 0.00 H ATOM 1146 N TRP A 141 10.269 2.395 10.807 1.00 7.40 N ATOM 1147 CA TRP A 141 9.877 3.402 11.805 1.00 7.21 C ATOM 1148 C TRP A 141 8.807 4.401 11.262 1.00 8.06 C ATOM 1149 O TRP A 141 8.650 5.494 11.767 1.00 8.45 O ATOM 1150 CB TRP A 141 11.135 4.172 12.276 1.00 8.16 C ATOM 1151 CG TRP A 141 12.092 3.420 13.105 1.00 7.65 C ATOM 1152 CD1 TRP A 141 12.103 3.292 14.487 1.00 8.14 C ATOM 1153 CD2 TRP A 141 13.252 2.709 12.636 1.00 8.28 C ATOM 1154 NE1 TRP A 141 13.191 2.581 14.873 1.00 9.15 N ATOM 1155 CE2 TRP A 141 13.943 2.239 13.770 1.00 9.19 C ATOM 1156 CE3 TRP A 141 13.821 2.532 11.359 1.00 8.94 C ATOM 1157 CZ2 TRP A 141 15.168 1.522 13.677 1.00 10.18 C ATOM 1158 CZ3 TRP A 141 15.043 1.858 11.270 1.00 8.84 C ATOM 1159 CH2 TRP A 141 15.707 1.342 12.441 1.00 10.82 C ATOM 1160 HE1 TRP A 141 13.423 2.331 15.855 1.00 0.00 H ATOM 1161 H TRP A 141 10.881 2.675 10.014 1.00 0.00 H ATOM 1162 N GLY A 142 8.076 4.006 10.184 1.00 8.58 N ATOM 1163 CA GLY A 142 7.042 4.842 9.665 1.00 9.10 C ATOM 1164 C GLY A 142 5.791 4.887 10.500 1.00 7.55 C ATOM 1165 O GLY A 142 5.702 4.294 11.569 1.00 9.07 O ATOM 1166 H GLY A 142 8.272 3.089 9.735 1.00 0.00 H ATOM 1167 N ILE A 143 4.824 5.663 10.034 1.00 9.15 N ATOM 1168 CA ILE A 143 3.594 5.932 10.821 1.00 10.51 C ATOM 1169 C ILE A 143 2.840 4.672 11.112 1.00 9.83 C ATOM 1170 O ILE A 143 2.822 3.698 10.317 1.00 10.47 O ATOM 1171 CB ILE A 143 2.739 7.073 10.230 1.00 12.12 C ATOM 1172 CG1 ILE A 143 2.120 6.650 8.908 1.00 14.57 C ATOM 1173 CG2 ILE A 143 3.522 8.323 10.140 1.00 16.12 C ATOM 1174 CD1 ILE A 143 1.111 7.614 8.311 1.00 19.25 C ATOM 1175 H ILE A 143 4.929 6.095 9.094 1.00 0.00 H ATOM 1176 N VAL A 144 2.171 4.723 12.259 1.00 10.82 N ATOM 1177 CA VAL A 144 1.480 3.525 12.731 1.00 11.16 C ATOM 1178 C VAL A 144 -0.036 3.670 12.821 1.00 11.52 C ATOM 1179 O VAL A 144 -0.722 2.767 13.263 1.00 14.55 O ATOM 1180 CB VAL A 144 2.052 3.008 14.089 1.00 13.21 C ATOM 1181 CG1 VAL A 144 3.468 2.563 13.936 1.00 11.84 C ATOM 1182 CG2 VAL A 144 1.904 4.044 15.247 1.00 14.29 C ATOM 1183 H VAL A 144 2.140 5.603 12.813 1.00 0.00 H ATOM 1184 N ASN A 145 -0.580 4.832 12.453 1.00 12.73 N ATOM 1185 CA ASN A 145 -2.019 5.002 12.436 1.00 12.96 C ATOM 1186 C ASN A 145 -2.356 6.135 11.460 1.00 12.89 C ATOM 1187 O ASN A 145 -1.461 6.795 10.943 1.00 12.78 O ATOM 1188 CB ASN A 145 -2.567 5.218 13.887 1.00 15.15 C ATOM 1189 CG ASN A 145 -2.102 6.534 14.529 1.00 13.79 C ATOM 1190 OD1 ASN A 145 -1.680 7.460 13.842 1.00 15.27 O ATOM 1191 ND2 ASN A 145 -2.225 6.612 15.856 1.00 19.68 N ATOM 1192 HD22 ASN A 145 -2.588 5.799 16.393 1.00 0.00 H ATOM 1193 HD21 ASN A 145 -1.958 7.486 16.353 1.00 0.00 H ATOM 1194 H ASN A 145 0.035 5.623 12.176 1.00 0.00 H ATOM 1195 N HIS A 146 -3.644 6.371 11.213 1.00 12.48 N ATOM 1196 CA HIS A 146 -4.068 7.401 10.234 1.00 12.56 C ATOM 1197 C HIS A 146 -3.812 8.806 10.684 1.00 12.53 C ATOM 1198 O HIS A 146 -3.712 9.688 9.824 1.00 14.74 O ATOM 1199 CB HIS A 146 -5.572 7.206 10.048 1.00 15.27 C ATOM 1200 CG HIS A 146 -5.898 6.079 9.165 1.00 15.98 C ATOM 1201 ND1 HIS A 146 -7.199 5.854 8.756 1.00 18.66 N ATOM 1202 CD2 HIS A 146 -5.165 5.012 8.746 1.00 16.13 C ATOM 1203 CE1 HIS A 146 -7.256 4.726 8.080 1.00 19.25 C ATOM 1204 NE2 HIS A 146 -6.040 4.212 8.020 1.00 18.78 N ATOM 1205 H HIS A 146 -4.368 5.821 11.718 1.00 0.00 H ATOM 1206 N ALA A 147 -3.635 9.017 12.003 1.00 14.29 N ATOM 1207 CA ALA A 147 -3.289 10.332 12.540 1.00 14.01 C ATOM 1208 C ALA A 147 -1.813 10.678 12.323 1.00 12.79 C ATOM 1209 O ALA A 147 -1.440 11.849 12.365 1.00 13.86 O ATOM 1210 CB ALA A 147 -3.617 10.380 14.034 1.00 16.37 C ATOM 1211 H ALA A 147 -3.748 8.219 12.660 1.00 0.00 H ATOM 1212 N GLY A 149 -0.987 9.677 11.889 1.00 14.43 N ATOM 1213 CA GLY A 149 0.420 9.884 11.669 1.00 13.93 C ATOM 1214 C GLY A 149 1.333 9.636 12.850 1.00 13.90 C ATOM 1215 O GLY A 149 2.446 10.106 12.812 1.00 14.68 O ATOM 1216 H GLY A 149 -1.390 8.735 11.712 1.00 0.00 H ATOM 1217 N ARG A 150 0.894 8.934 13.890 1.00 13.04 N ATOM 1218 CA ARG A 150 1.819 8.732 15.014 1.00 14.03 C ATOM 1219 C ARG A 150 3.097 8.003 14.625 1.00 12.05 C ATOM 1220 O ARG A 150 3.052 7.011 13.903 1.00 11.99 O ATOM 1221 CB ARG A 150 1.126 7.950 16.109 1.00 16.47 C ATOM 1222 CG ARG A 150 1.942 8.005 17.417 1.00 20.87 C ATOM 1223 CD ARG A 150 2.398 6.689 17.650 1.00 30.40 C ATOM 1224 NE ARG A 150 1.634 5.980 18.680 1.00 33.70 N ATOM 1225 CZ ARG A 150 2.195 4.943 19.307 1.00 41.23 C ATOM 1226 NH1 ARG A 150 3.475 4.630 19.008 1.00 38.15 N ATOM 1227 NH2 ARG A 150 1.545 4.260 20.252 1.00 46.04 N ATOM 1228 HE ARG A 150 0.668 6.280 18.920 1.00 0.00 H ATOM 1229 HH12 ARG A 150 3.938 3.828 19.480 1.00 0.00 H ATOM 1230 HH11 ARG A 150 3.997 5.192 18.305 1.00 0.00 H ATOM 1231 HH22 ARG A 150 2.007 3.456 20.724 1.00 0.00 H ATOM 1232 HH21 ARG A 150 0.577 4.531 20.517 1.00 0.00 H ATOM 1233 H ARG A 150 -0.069 8.542 13.908 1.00 0.00 H ATOM 1234 N ARG A 151 4.212 8.578 15.053 1.00 11.92 N ATOM 1235 CA ARG A 151 5.551 8.097 14.703 1.00 12.26 C ATOM 1236 C ARG A 151 6.078 7.239 15.881 1.00 11.57 C ATOM 1237 O ARG A 151 6.208 7.749 16.978 1.00 14.00 O ATOM 1238 CB ARG A 151 6.510 9.263 14.425 1.00 13.71 C ATOM 1239 CG ARG A 151 6.023 9.995 13.234 1.00 12.71 C ATOM 1240 CD ARG A 151 6.942 11.051 12.966 1.00 20.31 C ATOM 1241 NE ARG A 151 6.438 11.737 11.776 1.00 20.42 N ATOM 1242 CZ ARG A 151 7.164 12.558 11.032 1.00 19.55 C ATOM 1243 NH1 ARG A 151 8.375 12.913 11.460 1.00 18.11 N ATOM 1244 NH2 ARG A 151 6.641 13.131 9.916 1.00 21.41 N ATOM 1245 HE ARG A 151 5.450 11.570 11.497 1.00 0.00 H ATOM 1246 HH12 ARG A 151 8.960 13.557 10.890 1.00 0.00 H ATOM 1247 HH11 ARG A 151 8.735 12.546 12.364 1.00 0.00 H ATOM 1248 HH22 ARG A 151 7.222 13.774 9.341 1.00 0.00 H ATOM 1249 HH21 ARG A 151 5.660 12.927 9.637 1.00 0.00 H ATOM 1250 H ARG A 151 4.132 9.413 15.668 1.00 0.00 H ATOM 1251 N PRO A 152 6.414 5.995 15.676 1.00 10.48 N ATOM 1252 CA PRO A 152 6.910 5.125 16.780 1.00 9.54 C ATOM 1253 C PRO A 152 8.349 5.466 17.097 1.00 9.15 C ATOM 1254 O PRO A 152 9.183 5.728 16.197 1.00 12.07 O ATOM 1255 CB PRO A 152 6.742 3.720 16.194 1.00 10.99 C ATOM 1256 CG PRO A 152 7.000 3.992 14.701 1.00 9.51 C ATOM 1257 CD PRO A 152 6.312 5.263 14.395 1.00 10.88 C ATOM 1258 N ASP A 153 8.751 5.371 18.346 1.00 10.44 N ATOM 1259 CA ASP A 153 10.167 5.480 18.689 1.00 9.55 C ATOM 1260 C ASP A 153 10.927 4.287 18.292 1.00 9.41 C ATOM 1261 O ASP A 153 12.114 4.357 18.017 1.00 10.65 O ATOM 1262 CB ASP A 153 10.295 5.690 20.209 1.00 12.25 C ATOM 1263 CG ASP A 153 11.715 5.781 20.655 1.00 11.33 C ATOM 1264 OD1 ASP A 153 12.386 6.773 20.301 1.00 12.48 O ATOM 1265 OD2 ASP A 153 12.214 4.827 21.269 1.00 11.14 O ATOM 1266 H ASP A 153 8.051 5.216 19.100 1.00 0.00 H ATOM 1267 N SER A 154 10.306 3.121 18.323 1.00 11.02 N ATOM 1268 CA SER A 154 11.087 1.905 18.069 1.00 10.74 C ATOM 1269 C SER A 154 10.593 1.116 16.846 1.00 9.18 C ATOM 1270 O SER A 154 9.468 1.338 16.348 1.00 10.41 O ATOM 1271 CB SER A 154 11.118 1.037 19.243 1.00 14.26 C ATOM 1272 OG SER A 154 9.890 0.617 19.475 1.00 16.74 O ATOM 1273 HG SER A 154 9.302 1.396 19.642 1.00 0.00 H ATOM 1274 H SER A 154 9.287 3.066 18.523 1.00 0.00 H ATOM 1275 N LEU A 155 11.455 0.257 16.350 1.00 9.32 N ATOM 1276 CA LEU A 155 11.193 -0.425 15.078 1.00 7.77 C ATOM 1277 C LEU A 155 9.980 -1.326 15.146 1.00 8.55 C ATOM 1278 O LEU A 155 9.846 -2.126 16.119 1.00 10.30 O ATOM 1279 CB LEU A 155 12.419 -1.262 14.775 1.00 8.47 C ATOM 1280 CG LEU A 155 12.430 -1.941 13.401 1.00 8.83 C ATOM 1281 CD1 LEU A 155 12.581 -0.933 12.258 1.00 9.99 C ATOM 1282 CD2 LEU A 155 13.597 -2.917 13.341 1.00 10.15 C ATOM 1283 H LEU A 155 12.335 0.058 16.867 1.00 0.00 H ATOM 1284 N GLN A 156 9.124 -1.237 14.133 1.00 8.43 N ATOM 1285 CA GLN A 156 7.898 -2.057 14.012 1.00 9.43 C ATOM 1286 C GLN A 156 8.089 -2.979 12.812 1.00 9.54 C ATOM 1287 O GLN A 156 8.933 -2.717 11.956 1.00 10.06 O ATOM 1288 CB GLN A 156 6.658 -1.209 13.800 1.00 11.76 C ATOM 1289 CG GLN A 156 6.462 -0.059 14.819 1.00 11.34 C ATOM 1290 CD GLN A 156 6.284 -0.600 16.266 1.00 12.65 C ATOM 1291 OE1 GLN A 156 5.382 -1.415 16.530 1.00 15.27 O ATOM 1292 NE2 GLN A 156 7.202 -0.238 17.115 1.00 13.50 N ATOM 1293 HE22 GLN A 156 7.930 0.449 16.832 1.00 0.00 H ATOM 1294 HE21 GLN A 156 7.207 -0.636 18.076 1.00 0.00 H ATOM 1295 H GLN A 156 9.328 -0.549 13.380 1.00 0.00 H ATOM 1296 N HIS A 157 7.316 -4.017 12.769 1.00 10.62 N ATOM 1297 CA HIS A 157 7.359 -4.870 11.614 1.00 11.34 C ATOM 1298 C HIS A 157 6.013 -5.539 11.333 1.00 12.28 C ATOM 1299 O HIS A 157 5.171 -5.647 12.215 1.00 11.82 O ATOM 1300 CB HIS A 157 8.452 -5.911 11.682 1.00 12.63 C ATOM 1301 CG HIS A 157 8.079 -7.069 12.477 1.00 13.49 C ATOM 1302 ND1 HIS A 157 7.900 -8.310 11.897 1.00 19.09 N ATOM 1303 CD2 HIS A 157 7.750 -7.203 13.784 1.00 16.14 C ATOM 1304 CE1 HIS A 157 7.460 -9.152 12.823 1.00 20.67 C ATOM 1305 NE2 HIS A 157 7.381 -8.525 13.980 1.00 20.46 N ATOM 1306 H HIS A 157 6.674 -4.230 13.559 1.00 0.00 H ATOM 1307 N VAL A 158 5.925 -6.170 10.162 1.00 12.19 N ATOM 1308 CA VAL A 158 4.756 -6.969 9.796 1.00 12.86 C ATOM 1309 C VAL A 158 5.170 -7.984 8.745 1.00 11.58 C ATOM 1310 O VAL A 158 6.043 -7.705 7.938 1.00 12.84 O ATOM 1311 CB VAL A 158 3.598 -6.084 9.311 1.00 14.87 C ATOM 1312 CG1 VAL A 158 3.922 -5.268 7.985 1.00 15.03 C ATOM 1313 CG2 VAL A 158 2.309 -6.805 9.377 1.00 19.53 C ATOM 1314 H VAL A 158 6.713 -6.092 9.487 1.00 0.00 H ATOM 1315 N LEU A 159 4.537 -9.158 8.771 1.00 11.89 N ATOM 1316 CA LEU A 159 4.690 -10.179 7.759 1.00 12.77 C ATOM 1317 C LEU A 159 3.625 -10.008 6.717 1.00 11.26 C ATOM 1318 O LEU A 159 2.439 -9.848 7.074 1.00 15.23 O ATOM 1319 CB LEU A 159 4.492 -11.611 8.377 1.00 15.52 C ATOM 1320 CG LEU A 159 5.688 -12.034 9.216 1.00 21.43 C ATOM 1321 CD1 LEU A 159 5.425 -13.259 10.079 1.00 26.63 C ATOM 1322 CD2 LEU A 159 7.022 -12.192 8.372 1.00 24.29 C ATOM 1323 H LEU A 159 3.895 -9.350 9.567 1.00 0.00 H ATOM 1324 N LEU A 160 3.972 -9.943 5.456 1.00 11.46 N ATOM 1325 CA LEU A 160 3.030 -9.676 4.367 1.00 12.11 C ATOM 1326 C LEU A 160 3.206 -10.736 3.316 1.00 10.26 C ATOM 1327 O LEU A 160 4.339 -11.088 2.941 1.00 11.56 O ATOM 1328 CB LEU A 160 3.371 -8.300 3.679 1.00 12.85 C ATOM 1329 CG LEU A 160 3.258 -7.065 4.588 1.00 12.33 C ATOM 1330 CD1 LEU A 160 3.678 -5.859 3.814 1.00 13.98 C ATOM 1331 CD2 LEU A 160 1.891 -6.823 5.146 1.00 15.08 C ATOM 1332 H LEU A 160 4.973 -10.089 5.214 1.00 0.00 H ATOM 1333 N PRO A 161 2.112 -11.301 2.787 1.00 10.61 N ATOM 1334 CA PRO A 161 2.251 -12.271 1.693 1.00 9.83 C ATOM 1335 C PRO A 161 2.444 -11.550 0.314 1.00 8.45 C ATOM 1336 O PRO A 161 1.777 -10.538 0.027 1.00 10.64 O ATOM 1337 CB PRO A 161 0.902 -13.020 1.723 1.00 10.91 C ATOM 1338 CG PRO A 161 -0.044 -12.071 2.302 1.00 15.25 C ATOM 1339 CD PRO A 161 0.700 -11.152 3.253 1.00 11.78 C ATOM 1340 N VAL A 162 3.342 -12.112 -0.507 1.00 8.66 N ATOM 1341 CA VAL A 162 3.545 -11.627 -1.854 1.00 9.03 C ATOM 1342 C VAL A 162 2.268 -11.750 -2.652 1.00 10.21 C ATOM 1343 O VAL A 162 1.603 -12.778 -2.603 1.00 10.62 O ATOM 1344 CB VAL A 162 4.720 -12.328 -2.532 1.00 9.54 C ATOM 1345 CG1 VAL A 162 4.857 -12.000 -4.002 1.00 11.45 C ATOM 1346 CG2 VAL A 162 6.016 -11.936 -1.799 1.00 10.84 C ATOM 1347 H VAL A 162 3.907 -12.917 -0.167 1.00 0.00 H ATOM 1348 N LEU A 163 1.901 -10.751 -3.415 1.00 10.52 N ATOM 1349 CA LEU A 163 0.696 -10.770 -4.240 1.00 10.11 C ATOM 1350 C LEU A 163 1.184 -10.901 -5.654 1.00 10.98 C ATOM 1351 O LEU A 163 1.988 -10.096 -6.128 1.00 11.52 O ATOM 1352 CB LEU A 163 -0.072 -9.474 -4.053 1.00 11.75 C ATOM 1353 CG LEU A 163 -1.315 -9.332 -4.905 1.00 12.35 C ATOM 1354 CD1 LEU A 163 -2.395 -10.409 -4.424 1.00 16.55 C ATOM 1355 CD2 LEU A 163 -1.823 -7.932 -4.818 1.00 17.54 C ATOM 1356 H LEU A 163 2.499 -9.900 -3.434 1.00 0.00 H ATOM 1357 N ASP A 164 0.657 -11.877 -6.400 1.00 11.96 N ATOM 1358 CA ASP A 164 1.097 -12.103 -7.779 1.00 12.63 C ATOM 1359 C ASP A 164 0.921 -10.849 -8.669 1.00 11.35 C ATOM 1360 O ASP A 164 -0.002 -10.001 -8.463 1.00 11.67 O ATOM 1361 CB ASP A 164 0.332 -13.304 -8.390 1.00 12.66 C ATOM 1362 CG ASP A 164 -1.100 -12.972 -8.691 1.00 14.46 C ATOM 1363 OD1 ASP A 164 -1.977 -13.105 -7.842 1.00 15.50 O ATOM 1364 OD2 ASP A 164 -1.351 -12.504 -9.826 1.00 15.27 O ATOM 1365 H ASP A 164 -0.080 -12.488 -5.993 1.00 0.00 H ATOM 1366 N ARG A 165 1.821 -10.677 -9.619 1.00 11.84 N ATOM 1367 CA ARG A 165 1.879 -9.418 -10.367 1.00 11.49 C ATOM 1368 C ARG A 165 0.580 -9.192 -11.180 1.00 12.80 C ATOM 1369 O ARG A 165 0.129 -8.029 -11.308 1.00 12.66 O ATOM 1370 CB ARG A 165 3.099 -9.416 -11.263 1.00 12.33 C ATOM 1371 CG ARG A 165 3.326 -8.117 -11.996 1.00 12.23 C ATOM 1372 CD ARG A 165 4.566 -8.128 -12.860 1.00 14.33 C ATOM 1373 NE ARG A 165 5.783 -8.205 -12.042 1.00 12.88 N ATOM 1374 CZ ARG A 165 6.416 -9.330 -11.745 1.00 12.08 C ATOM 1375 NH1 ARG A 165 6.096 -10.469 -12.367 1.00 14.22 N ATOM 1376 NH2 ARG A 165 7.353 -9.279 -10.816 1.00 13.40 N ATOM 1377 HE ARG A 165 6.175 -7.316 -11.671 1.00 0.00 H ATOM 1378 HH12 ARG A 165 6.596 -11.349 -12.130 1.00 0.00 H ATOM 1379 HH11 ARG A 165 5.347 -10.475 -13.088 1.00 0.00 H ATOM 1380 HH22 ARG A 165 7.873 -10.141 -10.554 1.00 0.00 H ATOM 1381 HH21 ARG A 165 7.571 -8.377 -10.346 1.00 0.00 H ATOM 1382 H ARG A 165 2.493 -11.440 -9.838 1.00 0.00 H ATOM 1383 N ALA A 166 0.041 -10.260 -11.751 1.00 12.03 N ATOM 1384 CA ALA A 166 -1.166 -10.050 -12.529 1.00 13.16 C ATOM 1385 C ALA A 166 -2.345 -9.543 -11.687 1.00 13.55 C ATOM 1386 O ALA A 166 -3.012 -8.624 -12.121 1.00 15.28 O ATOM 1387 CB ALA A 166 -1.507 -11.320 -13.259 1.00 14.21 C ATOM 1388 H ALA A 166 0.463 -11.205 -11.646 1.00 0.00 H ATOM 1389 N THR A 167 -2.531 -10.048 -10.478 1.00 13.03 N ATOM 1390 CA THR A 167 -3.568 -9.501 -9.569 1.00 13.94 C ATOM 1391 C THR A 167 -3.260 -8.021 -9.278 1.00 12.92 C ATOM 1392 O THR A 167 -4.096 -7.111 -9.376 1.00 14.28 O ATOM 1393 CB THR A 167 -3.726 -10.313 -8.291 1.00 14.03 C ATOM 1394 OG1 THR A 167 -4.041 -11.642 -8.663 1.00 15.20 O ATOM 1395 CG2 THR A 167 -4.841 -9.758 -7.434 1.00 17.44 C ATOM 1396 HG1 THR A 167 -3.309 -12.011 -9.218 1.00 0.00 H ATOM 1397 H THR A 167 -1.940 -10.842 -10.160 1.00 0.00 H ATOM 1398 N CYS A 168 -1.980 -7.785 -8.984 1.00 13.74 N ATOM 1399 CA CYS A 168 -1.552 -6.417 -8.607 1.00 13.49 C ATOM 1400 C CYS A 168 -1.798 -5.410 -9.771 1.00 12.34 C ATOM 1401 O CYS A 168 -2.019 -4.233 -9.564 1.00 14.28 O ATOM 1402 CB CYS A 168 -0.073 -6.437 -8.233 1.00 11.96 C ATOM 1403 SG CYS A 168 0.301 -5.023 -7.212 1.00 13.15 S ATOM 1404 H CYS A 168 -1.285 -8.558 -9.019 1.00 0.00 H ATOM 1405 N ASN A 169 -1.767 -5.910 -10.994 1.00 14.07 N ATOM 1406 CA ASN A 169 -1.873 -5.082 -12.196 1.00 14.51 C ATOM 1407 C ASN A 169 -3.315 -4.889 -12.686 1.00 15.45 C ATOM 1408 O ASN A 169 -3.555 -4.112 -13.614 1.00 15.69 O ATOM 1409 CB ASN A 169 -1.104 -5.688 -13.356 1.00 14.24 C ATOM 1410 CG ASN A 169 0.266 -5.041 -13.507 1.00 13.51 C ATOM 1411 OD1 ASN A 169 0.417 -3.854 -13.187 1.00 14.92 O ATOM 1412 ND2 ASN A 169 1.266 -5.803 -13.913 1.00 13.98 N ATOM 1413 HD22 ASN A 169 1.092 -6.795 -14.172 1.00 0.00 H ATOM 1414 HD21 ASN A 169 2.227 -5.411 -13.974 1.00 0.00 H ATOM 1415 H ASN A 169 -1.663 -6.939 -11.107 1.00 0.00 H ATOM 1416 N ARG A 170 -4.277 -5.512 -12.024 1.00 14.68 N ATOM 1417 CA ARG A 170 -5.682 -5.335 -12.435 1.00 16.31 C ATOM 1418 C ARG A 170 -6.064 -3.836 -12.297 1.00 16.18 C ATOM 1419 O ARG A 170 -5.553 -3.090 -11.424 1.00 15.60 O ATOM 1420 CB ARG A 170 -6.600 -6.101 -11.478 1.00 16.86 C ATOM 1421 CG ARG A 170 -6.504 -7.586 -11.591 1.00 19.70 C ATOM 1422 CD ARG A 170 -7.368 -8.137 -10.519 1.00 22.44 C ATOM 1423 NE ARG A 170 -7.661 -9.534 -10.771 1.00 28.80 N ATOM 1424 CZ ARG A 170 -8.680 -10.220 -10.169 1.00 28.99 C ATOM 1425 NH1 ARG A 170 -9.418 -9.679 -9.191 1.00 29.35 N ATOM 1426 NH2 ARG A 170 -8.937 -11.485 -10.487 1.00 34.10 N ATOM 1427 HE ARG A 170 -7.061 -10.045 -11.450 1.00 0.00 H ATOM 1428 HH12 ARG A 170 -10.186 -10.228 -8.754 1.00 0.00 H ATOM 1429 HH11 ARG A 170 -9.223 -8.710 -8.868 1.00 0.00 H ATOM 1430 HH22 ARG A 170 -9.716 -11.991 -10.019 1.00 0.00 H ATOM 1431 HH21 ARG A 170 -8.359 -11.969 -11.204 1.00 0.00 H ATOM 1432 H ARG A 170 -4.043 -6.124 -11.217 1.00 0.00 H ATOM 1433 N ARG A 170A -6.981 -3.412 -13.159 1.00 18.88 N ATOM 1434 CA ARG A 170A -7.527 -2.068 -13.125 1.00 20.49 C ATOM 1435 C ARG A 170A -7.958 -1.662 -11.739 1.00 20.67 C ATOM 1436 O ARG A 170A -7.799 -0.485 -11.370 1.00 22.12 O ATOM 1437 CB ARG A 170A -8.754 -1.971 -14.064 1.00 22.46 C ATOM 1438 CG ARG A 170A -9.141 -0.554 -14.348 1.00 28.97 C ATOM 1439 CD ARG A 170A -9.219 -0.403 -15.893 1.00 40.60 C ATOM 1440 NE ARG A 170A -8.865 0.944 -16.339 1.00 49.03 N ATOM 1441 CZ ARG A 170A -9.754 1.887 -16.678 1.00 53.04 C ATOM 1442 NH1 ARG A 170A -11.070 1.640 -16.624 1.00 54.12 N ATOM 1443 NH2 ARG A 170A -9.324 3.085 -17.081 1.00 54.56 N ATOM 1444 HE ARG A 170A -7.855 1.186 -16.397 1.00 0.00 H ATOM 1445 HH12 ARG A 170A -11.750 2.381 -16.890 1.00 0.00 H ATOM 1446 HH11 ARG A 170A -11.412 0.707 -16.316 1.00 0.00 H ATOM 1447 HH22 ARG A 170A -10.009 3.821 -17.346 1.00 0.00 H ATOM 1448 HH21 ARG A 170A -8.304 3.282 -17.130 1.00 0.00 H ATOM 1449 H ARG A 170A -7.322 -4.070 -13.888 1.00 0.00 H ATOM 1450 N THR A 170B -8.564 -2.570 -10.970 1.00 19.83 N ATOM 1451 CA THR A 170B -9.010 -2.282 -9.632 1.00 22.28 C ATOM 1452 C THR A 170B -7.829 -2.037 -8.679 1.00 20.23 C ATOM 1453 O THR A 170B -8.038 -1.502 -7.580 1.00 21.39 O ATOM 1454 CB THR A 170B -9.821 -3.488 -9.055 1.00 22.80 C ATOM 1455 OG1 THR A 170B -9.062 -4.716 -9.267 1.00 25.01 O ATOM 1456 CG2 THR A 170B -11.261 -3.572 -9.661 1.00 24.64 C ATOM 1457 HG1 THR A 170B -8.190 -4.648 -8.804 1.00 0.00 H ATOM 1458 H THR A 170B -8.720 -3.524 -11.353 1.00 0.00 H ATOM 1459 N HIS A 171 -6.614 -2.446 -9.043 1.00 16.84 N ATOM 1460 CA HIS A 171 -5.453 -2.377 -8.144 1.00 16.33 C ATOM 1461 C HIS A 171 -4.533 -1.328 -8.741 1.00 14.31 C ATOM 1462 O HIS A 171 -4.828 -0.147 -8.695 1.00 16.70 O ATOM 1463 CB HIS A 171 -4.870 -3.818 -7.973 1.00 15.28 C ATOM 1464 CG HIS A 171 -5.742 -4.728 -7.156 1.00 16.92 C ATOM 1465 ND1 HIS A 171 -6.834 -5.389 -7.662 1.00 24.81 N ATOM 1466 CD2 HIS A 171 -5.554 -5.238 -5.911 1.00 22.75 C ATOM 1467 CE1 HIS A 171 -7.376 -6.138 -6.712 1.00 23.50 C ATOM 1468 NE2 HIS A 171 -6.607 -6.079 -5.643 1.00 26.06 N ATOM 1469 H HIS A 171 -6.482 -2.829 -10.001 1.00 0.00 H ATOM 1470 N HIS A 172 -3.399 -1.736 -9.254 1.00 14.36 N ATOM 1471 CA HIS A 172 -2.376 -0.772 -9.803 1.00 14.84 C ATOM 1472 C HIS A 172 -2.409 -0.601 -11.298 1.00 15.86 C ATOM 1473 O HIS A 172 -1.559 0.090 -11.851 1.00 17.00 O ATOM 1474 CB HIS A 172 -0.941 -1.030 -9.270 1.00 13.65 C ATOM 1475 CG HIS A 172 -0.819 -0.697 -7.816 1.00 11.21 C ATOM 1476 ND1 HIS A 172 -1.160 0.565 -7.312 1.00 13.66 N ATOM 1477 CD2 HIS A 172 -0.432 -1.457 -6.752 1.00 11.93 C ATOM 1478 CE1 HIS A 172 -0.927 0.563 -6.004 1.00 12.82 C ATOM 1479 NE2 HIS A 172 -0.501 -0.654 -5.631 1.00 11.79 N ATOM 1480 H HIS A 172 -3.197 -2.756 -9.284 1.00 0.00 H ATOM 1481 N ASP A 173 -3.398 -1.273 -11.937 1.00 16.18 N ATOM 1482 CA ASP A 173 -3.764 -0.862 -13.290 1.00 17.24 C ATOM 1483 C ASP A 173 -2.574 -0.798 -14.280 1.00 17.86 C ATOM 1484 O ASP A 173 -2.331 0.275 -14.918 1.00 20.04 O ATOM 1485 CB ASP A 173 -4.554 0.479 -13.286 1.00 19.86 C ATOM 1486 CG ASP A 173 -5.261 0.761 -14.609 1.00 23.23 C ATOM 1487 OD1 ASP A 173 -5.523 -0.202 -15.372 1.00 24.73 O ATOM 1488 OD2 ASP A 173 -5.540 1.997 -14.888 1.00 32.31 O ATOM 1489 H ASP A 173 -3.886 -2.065 -11.473 1.00 0.00 H ATOM 1490 N GLY A 174 -1.854 -1.910 -14.374 1.00 17.27 N ATOM 1491 CA GLY A 174 -0.755 -2.027 -15.337 1.00 16.98 C ATOM 1492 C GLY A 174 0.593 -1.410 -14.993 1.00 16.98 C ATOM 1493 O GLY A 174 1.526 -1.563 -15.798 1.00 19.27 O ATOM 1494 H GLY A 174 -2.074 -2.714 -13.752 1.00 0.00 H ATOM 1495 N ALA A 175 0.713 -0.765 -13.834 1.00 15.49 N ATOM 1496 CA ALA A 175 1.972 -0.051 -13.496 1.00 15.79 C ATOM 1497 C ALA A 175 3.077 -0.988 -12.961 1.00 14.28 C ATOM 1498 O ALA A 175 4.221 -0.523 -12.767 1.00 16.07 O ATOM 1499 CB ALA A 175 1.667 1.032 -12.447 1.00 18.35 C ATOM 1500 H ALA A 175 -0.080 -0.761 -13.161 1.00 0.00 H ATOM 1501 N ILE A 176 2.729 -2.245 -12.672 1.00 12.95 N ATOM 1502 CA ILE A 176 3.709 -3.137 -12.051 1.00 12.72 C ATOM 1503 C ILE A 176 4.482 -3.800 -13.117 1.00 12.06 C ATOM 1504 O ILE A 176 4.009 -4.764 -13.754 1.00 13.65 O ATOM 1505 CB ILE A 176 3.043 -4.135 -11.101 1.00 13.49 C ATOM 1506 CG1 ILE A 176 2.087 -3.396 -10.174 1.00 12.80 C ATOM 1507 CG2 ILE A 176 4.131 -4.917 -10.313 1.00 12.97 C ATOM 1508 CD1 ILE A 176 2.641 -2.294 -9.327 1.00 14.51 C ATOM 1509 H ILE A 176 1.770 -2.587 -12.886 1.00 0.00 H ATOM 1510 N THR A 177 5.680 -3.278 -13.396 1.00 11.20 N ATOM 1511 CA THR A 177 6.576 -3.901 -14.389 1.00 13.09 C ATOM 1512 C THR A 177 7.241 -5.175 -13.857 1.00 11.23 C ATOM 1513 O THR A 177 7.099 -5.518 -12.666 1.00 11.19 O ATOM 1514 CB THR A 177 7.698 -2.885 -14.755 1.00 12.12 C ATOM 1515 OG1 THR A 177 8.517 -2.772 -13.582 1.00 13.64 O ATOM 1516 CG2 THR A 177 7.092 -1.549 -15.127 1.00 13.78 C ATOM 1517 HG1 THR A 177 9.254 -2.134 -13.756 1.00 0.00 H ATOM 1518 H THR A 177 5.987 -2.415 -12.903 1.00 0.00 H ATOM 1519 N GLU A 178 8.045 -5.818 -14.699 1.00 11.31 N ATOM 1520 CA GLU A 178 8.802 -6.972 -14.254 1.00 13.09 C ATOM 1521 C GLU A 178 9.822 -6.677 -13.170 1.00 11.19 C ATOM 1522 O GLU A 178 10.341 -7.615 -12.558 1.00 11.81 O ATOM 1523 CB GLU A 178 9.559 -7.617 -15.444 1.00 17.83 C ATOM 1524 CG GLU A 178 8.690 -8.263 -16.486 1.00 26.21 C ATOM 1525 CD GLU A 178 9.547 -8.955 -17.547 1.00 31.51 C ATOM 1526 OE1 GLU A 178 10.787 -8.639 -17.653 1.00 34.30 O ATOM 1527 OE2 GLU A 178 8.970 -9.803 -18.248 1.00 38.19 O ATOM 1528 H GLU A 178 8.131 -5.491 -15.683 1.00 0.00 H ATOM 1529 N ARG A 179 10.178 -5.388 -13.042 1.00 10.66 N ATOM 1530 CA ARG A 179 11.156 -4.934 -12.072 1.00 9.89 C ATOM 1531 C ARG A 179 10.604 -4.620 -10.705 1.00 9.17 C ATOM 1532 O ARG A 179 11.350 -4.245 -9.805 1.00 10.04 O ATOM 1533 CB ARG A 179 11.910 -3.731 -12.629 1.00 11.98 C ATOM 1534 CG ARG A 179 12.348 -3.967 -14.146 1.00 15.21 C ATOM 1535 CD ARG A 179 13.301 -2.948 -14.662 1.00 13.40 C ATOM 1536 NE ARG A 179 14.652 -3.257 -14.241 1.00 13.67 N ATOM 1537 CZ ARG A 179 15.737 -2.562 -14.580 1.00 16.03 C ATOM 1538 NH1 ARG A 179 15.604 -1.513 -15.358 1.00 18.40 N ATOM 1539 NH2 ARG A 179 16.935 -2.910 -14.130 1.00 18.49 N ATOM 1540 HE ARG A 179 14.785 -4.085 -13.627 1.00 0.00 H ATOM 1541 HH12 ARG A 179 16.441 -0.959 -15.632 1.00 0.00 H ATOM 1542 HH11 ARG A 179 14.662 -1.235 -15.700 1.00 0.00 H ATOM 1543 HH22 ARG A 179 17.773 -2.358 -14.403 1.00 0.00 H ATOM 1544 HH21 ARG A 179 17.036 -3.735 -13.504 1.00 0.00 H ATOM 1545 H ARG A 179 9.733 -4.685 -13.666 1.00 0.00 H ATOM 1546 N LEU A 180 9.293 -4.762 -10.588 1.00 10.19 N ATOM 1547 CA LEU A 180 8.549 -4.477 -9.344 1.00 9.12 C ATOM 1548 C LEU A 180 7.782 -5.714 -8.868 1.00 9.21 C ATOM 1549 O LEU A 180 7.524 -6.609 -9.678 1.00 10.38 O ATOM 1550 CB LEU A 180 7.546 -3.329 -9.667 1.00 8.89 C ATOM 1551 CG LEU A 180 8.122 -1.999 -10.055 1.00 9.78 C ATOM 1552 CD1 LEU A 180 7.007 -0.992 -10.398 1.00 10.94 C ATOM 1553 CD2 LEU A 180 8.942 -1.440 -8.857 1.00 12.56 C ATOM 1554 H LEU A 180 8.758 -5.092 -11.417 1.00 0.00 H ATOM 1555 N MET A 181 7.514 -5.762 -7.541 1.00 8.25 N ATOM 1556 CA MET A 181 6.676 -6.833 -7.060 1.00 9.46 C ATOM 1557 C MET A 181 5.725 -6.220 -6.014 1.00 8.67 C ATOM 1558 O MET A 181 5.930 -5.063 -5.585 1.00 9.79 O ATOM 1559 CB MET A 181 7.533 -7.929 -6.394 1.00 10.78 C ATOM 1560 CG MET A 181 8.331 -7.406 -5.192 1.00 9.89 C ATOM 1561 SD MET A 181 9.451 -8.614 -4.406 1.00 11.77 S ATOM 1562 CE MET A 181 8.317 -9.791 -3.737 1.00 13.13 C ATOM 1563 H MET A 181 7.900 -5.049 -6.890 1.00 0.00 H ATOM 1564 N CYS A 182 4.677 -6.971 -5.656 1.00 8.58 N ATOM 1565 CA CYS A 182 3.688 -6.491 -4.757 1.00 8.33 C ATOM 1566 C CYS A 182 3.565 -7.353 -3.543 1.00 8.74 C ATOM 1567 O CYS A 182 3.868 -8.556 -3.601 1.00 9.15 O ATOM 1568 CB CYS A 182 2.324 -6.412 -5.385 1.00 10.74 C ATOM 1569 SG CYS A 182 2.291 -5.260 -6.838 1.00 12.66 S ATOM 1570 H CYS A 182 4.584 -7.931 -6.046 1.00 0.00 H ATOM 1571 N ALA A 183 2.999 -6.784 -2.484 1.00 9.59 N ATOM 1572 CA ALA A 183 2.609 -7.598 -1.284 1.00 9.60 C ATOM 1573 C ALA A 183 1.224 -7.077 -0.883 1.00 10.30 C ATOM 1574 O ALA A 183 0.827 -5.933 -1.182 1.00 10.71 O ATOM 1575 CB ALA A 183 3.557 -7.468 -0.118 1.00 11.61 C ATOM 1576 H ALA A 183 2.823 -5.759 -2.486 1.00 0.00 H ATOM 1577 N GLU A 184 0.453 -7.948 -0.259 1.00 11.27 N ATOM 1578 CA GLU A 184 -0.878 -7.523 0.172 1.00 11.57 C ATOM 1579 C GLU A 184 -0.799 -6.341 1.149 1.00 12.87 C ATOM 1580 O GLU A 184 0.196 -6.190 1.863 1.00 13.93 O ATOM 1581 CB GLU A 184 -1.637 -8.714 0.814 1.00 13.06 C ATOM 1582 CG GLU A 184 -1.951 -9.836 -0.274 1.00 13.50 C ATOM 1583 CD GLU A 184 -2.875 -10.912 0.160 1.00 16.25 C ATOM 1584 OE1 GLU A 184 -3.760 -10.656 0.947 1.00 21.90 O ATOM 1585 OE2 GLU A 184 -2.750 -12.037 -0.373 1.00 18.84 O ATOM 1586 H GLU A 184 0.785 -8.917 -0.078 1.00 0.00 H ATOM 1587 N SER A 185 -1.878 -5.566 1.204 1.00 12.31 N ATOM 1588 CA SER A 185 -1.962 -4.345 1.982 1.00 12.48 C ATOM 1589 C SER A 185 -3.255 -4.265 2.712 1.00 14.07 C ATOM 1590 O SER A 185 -3.797 -3.166 2.915 1.00 16.70 O ATOM 1591 CB SER A 185 -1.879 -3.148 1.045 1.00 11.78 C ATOM 1592 OG SER A 185 -2.831 -3.314 -0.007 1.00 14.04 O ATOM 1593 HG SER A 185 -2.782 -2.538 -0.620 1.00 0.00 H ATOM 1594 H SER A 185 -2.713 -5.853 0.655 1.00 0.00 H ATOM 1595 N ASN A 186 -3.830 -5.407 3.068 1.00 14.16 N ATOM 1596 CA ASN A 186 -5.141 -5.387 3.770 1.00 16.46 C ATOM 1597 C ASN A 186 -4.978 -5.132 5.244 1.00 17.76 C ATOM 1598 O ASN A 186 -4.733 -6.049 5.973 1.00 19.95 O ATOM 1599 CB ASN A 186 -5.881 -6.725 3.462 1.00 17.20 C ATOM 1600 CG ASN A 186 -7.289 -6.760 4.004 1.00 18.64 C ATOM 1601 OD1 ASN A 186 -7.857 -7.853 4.170 1.00 25.42 O ATOM 1602 ND2 ASN A 186 -7.888 -5.629 4.201 1.00 17.53 N ATOM 1603 HD22 ASN A 186 -7.376 -4.736 4.051 1.00 0.00 H ATOM 1604 HD21 ASN A 186 -8.881 -5.613 4.510 1.00 0.00 H ATOM 1605 H ASN A 186 -3.365 -6.313 2.857 1.00 0.00 H ATOM 1606 N ARG A 187 -5.056 -3.870 5.689 1.00 17.44 N ATOM 1607 CA ARG A 187 -4.933 -3.525 7.126 1.00 20.05 C ATOM 1608 C ARG A 187 -3.553 -3.754 7.792 1.00 18.64 C ATOM 1609 O ARG A 187 -3.302 -3.328 8.937 1.00 20.86 O ATOM 1610 CB ARG A 187 -6.008 -4.247 7.974 1.00 21.63 C ATOM 1611 CG ARG A 187 -7.457 -4.180 7.484 1.00 23.59 C ATOM 1612 CD ARG A 187 -8.364 -5.052 8.410 1.00 27.34 C ATOM 1613 NE ARG A 187 -7.862 -6.433 8.494 1.00 31.27 N ATOM 1614 CZ ARG A 187 -8.391 -7.440 7.808 1.00 31.42 C ATOM 1615 NH1 ARG A 187 -9.437 -7.199 7.032 1.00 31.68 N ATOM 1616 NH2 ARG A 187 -7.901 -8.681 7.904 1.00 29.27 N ATOM 1617 HE ARG A 187 -7.055 -6.630 9.120 1.00 0.00 H ATOM 1618 HH12 ARG A 187 -9.868 -7.972 6.485 1.00 0.00 H ATOM 1619 HH11 ARG A 187 -9.827 -6.237 6.969 1.00 0.00 H ATOM 1620 HH22 ARG A 187 -8.332 -9.454 7.357 1.00 0.00 H ATOM 1621 HH21 ARG A 187 -7.089 -8.873 8.525 1.00 0.00 H ATOM 1622 H ARG A 187 -5.208 -3.105 5.001 1.00 0.00 H ATOM 1623 N ARG A 188 -2.683 -4.501 7.129 1.00 17.71 N ATOM 1624 CA ARG A 188 -1.249 -4.577 7.456 1.00 17.23 C ATOM 1625 C ARG A 188 -0.511 -4.043 6.244 1.00 14.88 C ATOM 1626 O ARG A 188 -0.768 -4.516 5.126 1.00 16.22 O ATOM 1627 CB ARG A 188 -0.909 -6.024 7.744 1.00 17.65 C ATOM 1628 CG ARG A 188 -1.575 -6.585 8.994 1.00 22.69 C ATOM 1629 CD ARG A 188 -1.254 -8.099 9.153 1.00 30.90 C ATOM 1630 NE ARG A 188 -1.979 -8.666 10.296 1.00 39.00 N ATOM 1631 CZ ARG A 188 -2.462 -9.912 10.323 1.00 42.80 C ATOM 1632 NH1 ARG A 188 -2.289 -10.729 9.277 1.00 46.21 N ATOM 1633 NH2 ARG A 188 -3.108 -10.358 11.389 1.00 45.26 N ATOM 1634 HE ARG A 188 -2.125 -8.065 11.132 1.00 0.00 H ATOM 1635 HH12 ARG A 188 -2.668 -11.697 9.305 1.00 0.00 H ATOM 1636 HH11 ARG A 188 -1.776 -10.396 8.436 1.00 0.00 H ATOM 1637 HH22 ARG A 188 -3.481 -11.329 11.403 1.00 0.00 H ATOM 1638 HH21 ARG A 188 -3.243 -9.738 12.213 1.00 0.00 H ATOM 1639 H ARG A 188 -3.033 -5.067 6.330 1.00 0.00 H ATOM 1640 N ASP A 189 0.422 -3.091 6.451 1.00 15.36 N ATOM 1641 CA ASP A 189 1.017 -2.419 5.275 1.00 12.87 C ATOM 1642 C ASP A 189 2.201 -1.564 5.746 1.00 13.54 C ATOM 1643 O ASP A 189 2.364 -1.314 6.958 1.00 16.00 O ATOM 1644 CB ASP A 189 -0.016 -1.542 4.585 1.00 14.00 C ATOM 1645 CG ASP A 189 0.275 -1.220 3.159 1.00 12.33 C ATOM 1646 OD1 ASP A 189 1.346 -1.709 2.572 1.00 12.53 O ATOM 1647 OD2 ASP A 189 -0.454 -0.349 2.567 1.00 14.20 O ATOM 1648 H ASP A 189 0.716 -2.835 7.415 1.00 0.00 H ATOM 1649 N SER A 190 3.084 -1.249 4.803 1.00 12.58 N ATOM 1650 CA SER A 190 4.090 -0.207 4.970 1.00 12.98 C ATOM 1651 C SER A 190 3.465 1.167 4.680 1.00 13.76 C ATOM 1652 O SER A 190 2.525 1.242 3.878 1.00 18.57 O ATOM 1653 CB SER A 190 5.302 -0.516 4.102 1.00 14.32 C ATOM 1654 OG SER A 190 4.877 -0.661 2.763 1.00 21.07 O ATOM 1655 HG SER A 190 5.659 -0.862 2.190 1.00 0.00 H ATOM 1656 H SER A 190 3.056 -1.771 3.904 1.00 0.00 H ATOM 1657 N CYS A 191 3.882 2.247 5.363 1.00 11.18 N ATOM 1658 CA CYS A 191 3.212 3.552 5.260 1.00 11.88 C ATOM 1659 C CYS A 191 4.325 4.614 5.213 1.00 10.26 C ATOM 1660 O CYS A 191 5.533 4.298 5.118 1.00 12.79 O ATOM 1661 CB CYS A 191 2.231 3.843 6.423 1.00 11.89 C ATOM 1662 SG CYS A 191 0.898 5.138 6.111 1.00 13.75 S ATOM 1663 H CYS A 191 4.709 2.156 5.987 1.00 0.00 H ATOM 1664 N LYS A 192 3.945 5.866 5.306 1.00 12.79 N ATOM 1665 CA LYS A 192 4.872 6.978 5.208 1.00 11.98 C ATOM 1666 C LYS A 192 5.989 6.809 6.288 1.00 10.06 C ATOM 1667 O LYS A 192 5.691 6.639 7.469 1.00 12.60 O ATOM 1668 CB LYS A 192 4.118 8.312 5.408 1.00 14.37 C ATOM 1669 CG LYS A 192 4.954 9.550 5.330 1.00 17.91 C ATOM 1670 CD LYS A 192 5.375 9.852 3.913 1.00 23.33 C ATOM 1671 CE LYS A 192 4.269 10.460 3.082 1.00 25.04 C ATOM 1672 NZ LYS A 192 4.749 11.323 1.987 1.00 31.92 N ATOM 1673 HZ1 LYS A 192 5.304 12.108 2.384 1.00 0.00 H ATOM 1674 HZ2 LYS A 192 5.346 10.765 1.344 1.00 0.00 H ATOM 1675 HZ3 LYS A 192 3.934 11.702 1.464 1.00 0.00 H ATOM 1676 H LYS A 192 2.936 6.070 5.456 1.00 0.00 H ATOM 1677 N GLY A 193 7.226 6.901 5.870 1.00 9.72 N ATOM 1678 CA GLY A 193 8.382 6.724 6.721 1.00 10.14 C ATOM 1679 C GLY A 193 8.975 5.311 6.662 1.00 9.47 C ATOM 1680 O GLY A 193 10.090 5.086 7.182 1.00 9.55 O ATOM 1681 H GLY A 193 7.387 7.114 4.865 1.00 0.00 H ATOM 1682 N ASP A 194 8.267 4.360 6.045 1.00 9.98 N ATOM 1683 CA ASP A 194 8.785 3.037 5.894 1.00 9.70 C ATOM 1684 C ASP A 194 9.451 2.840 4.498 1.00 9.29 C ATOM 1685 O ASP A 194 10.163 1.829 4.311 1.00 9.81 O ATOM 1686 CB ASP A 194 7.660 1.969 5.962 1.00 10.16 C ATOM 1687 CG ASP A 194 7.084 1.920 7.326 1.00 9.58 C ATOM 1688 OD1 ASP A 194 7.839 1.960 8.340 1.00 10.79 O ATOM 1689 OD2 ASP A 194 5.854 1.809 7.411 1.00 11.39 O ATOM 1690 H ASP A 194 7.324 4.587 5.669 1.00 0.00 H ATOM 1691 N SER A 195 9.295 3.780 3.603 1.00 8.90 N ATOM 1692 CA SER A 195 9.823 3.600 2.277 1.00 9.44 C ATOM 1693 C SER A 195 11.335 3.514 2.264 1.00 8.34 C ATOM 1694 O SER A 195 12.011 4.032 3.199 1.00 8.69 O ATOM 1695 CB SER A 195 9.376 4.720 1.436 1.00 11.90 C ATOM 1696 OG SER A 195 7.978 4.754 1.618 1.00 11.28 O ATOM 1697 HG SER A 195 7.594 5.490 1.079 1.00 0.00 H ATOM 1698 H SER A 195 8.791 4.656 3.849 1.00 0.00 H ATOM 1699 N GLY A 196 11.906 2.788 1.319 1.00 7.40 N ATOM 1700 CA GLY A 196 13.322 2.573 1.326 1.00 8.31 C ATOM 1701 C GLY A 196 13.738 1.360 2.130 1.00 7.37 C ATOM 1702 O GLY A 196 14.872 0.888 2.007 1.00 8.33 O ATOM 1703 H GLY A 196 11.324 2.370 0.565 1.00 0.00 H ATOM 1704 N GLY A 197 12.862 0.850 3.005 1.00 8.34 N ATOM 1705 CA GLY A 197 13.232 -0.267 3.765 1.00 8.96 C ATOM 1706 C GLY A 197 13.135 -1.612 3.044 1.00 7.85 C ATOM 1707 O GLY A 197 12.668 -1.707 1.938 1.00 8.96 O ATOM 1708 H GLY A 197 11.921 1.277 3.119 1.00 0.00 H ATOM 1709 N PRO A 198 13.557 -2.643 3.748 1.00 9.18 N ATOM 1710 CA PRO A 198 13.689 -3.963 3.066 1.00 9.96 C ATOM 1711 C PRO A 198 12.444 -4.826 3.158 1.00 9.01 C ATOM 1712 O PRO A 198 11.774 -4.843 4.170 1.00 11.97 O ATOM 1713 CB PRO A 198 14.821 -4.616 3.820 1.00 13.07 C ATOM 1714 CG PRO A 198 14.694 -4.045 5.236 1.00 13.11 C ATOM 1715 CD PRO A 198 14.151 -2.653 5.117 1.00 10.58 C ATOM 1716 N LEU A 199 12.190 -5.570 2.082 1.00 7.60 N ATOM 1717 CA LEU A 199 11.245 -6.660 2.087 1.00 7.98 C ATOM 1718 C LEU A 199 12.060 -7.953 2.007 1.00 6.94 C ATOM 1719 O LEU A 199 12.793 -8.194 1.039 1.00 8.24 O ATOM 1720 CB LEU A 199 10.343 -6.588 0.840 1.00 9.01 C ATOM 1721 CG LEU A 199 9.231 -7.707 0.797 1.00 10.44 C ATOM 1722 CD1 LEU A 199 8.226 -7.438 1.879 1.00 15.17 C ATOM 1723 CD2 LEU A 199 8.572 -7.757 -0.531 1.00 17.95 C ATOM 1724 H LEU A 199 12.696 -5.355 1.199 1.00 0.00 H ATOM 1725 N VAL A 200 12.031 -8.731 3.088 1.00 7.55 N ATOM 1726 CA VAL A 200 12.916 -9.842 3.281 1.00 8.27 C ATOM 1727 C VAL A 200 12.114 -11.158 3.176 1.00 8.91 C ATOM 1728 O VAL A 200 11.107 -11.325 3.882 1.00 11.40 O ATOM 1729 CB VAL A 200 13.622 -9.715 4.663 1.00 9.72 C ATOM 1730 CG1 VAL A 200 14.649 -10.889 4.752 1.00 12.12 C ATOM 1731 CG2 VAL A 200 14.345 -8.312 4.728 1.00 11.14 C ATOM 1732 H VAL A 200 11.332 -8.522 3.829 1.00 0.00 H ATOM 1733 N CYS A 201 12.542 -12.094 2.306 1.00 9.93 N ATOM 1734 CA CYS A 201 11.787 -13.324 2.077 1.00 11.83 C ATOM 1735 C CYS A 201 12.805 -14.429 2.195 1.00 12.72 C ATOM 1736 O CYS A 201 13.835 -14.430 1.548 1.00 13.68 O ATOM 1737 CB CYS A 201 11.158 -13.328 0.676 1.00 13.77 C ATOM 1738 SG CYS A 201 10.208 -11.861 0.199 1.00 13.71 S ATOM 1739 H CYS A 201 13.429 -11.937 1.786 1.00 0.00 H ATOM 1740 N GLY A 202 12.531 -15.393 3.052 1.00 17.49 N ATOM 1741 CA GLY A 202 13.456 -16.479 3.181 1.00 18.95 C ATOM 1742 C GLY A 202 14.844 -15.995 3.503 1.00 18.36 C ATOM 1743 O GLY A 202 15.820 -16.705 3.313 1.00 21.19 O ATOM 1744 H GLY A 202 11.662 -15.365 3.622 1.00 0.00 H ATOM 1745 N GLY A 207 14.920 -14.942 4.579 1.00 17.80 N ATOM 1746 CA GLY A 207 16.205 -14.478 4.997 1.00 16.61 C ATOM 1747 C GLY A 207 17.096 -13.793 3.976 1.00 13.97 C ATOM 1748 O GLY A 207 18.272 -13.548 4.236 1.00 15.99 O ATOM 1749 H GLY A 207 14.053 -14.560 5.009 1.00 0.00 H ATOM 1750 N VAL A 208 16.526 -13.487 2.822 1.00 10.75 N ATOM 1751 CA VAL A 208 17.290 -12.757 1.750 1.00 9.80 C ATOM 1752 C VAL A 208 16.515 -11.547 1.372 1.00 8.26 C ATOM 1753 O VAL A 208 15.298 -11.539 1.283 1.00 9.47 O ATOM 1754 CB VAL A 208 17.509 -13.691 0.526 1.00 11.40 C ATOM 1755 CG1 VAL A 208 18.055 -13.016 -0.670 1.00 12.23 C ATOM 1756 CG2 VAL A 208 18.288 -14.929 0.971 1.00 13.74 C ATOM 1757 H VAL A 208 15.535 -13.755 2.653 1.00 0.00 H ATOM 1758 N LEU A 209 17.211 -10.452 1.075 1.00 7.79 N ATOM 1759 CA LEU A 209 16.551 -9.225 0.626 1.00 7.56 C ATOM 1760 C LEU A 209 16.002 -9.445 -0.778 1.00 7.80 C ATOM 1761 O LEU A 209 16.709 -9.861 -1.684 1.00 9.06 O ATOM 1762 CB LEU A 209 17.575 -8.138 0.539 1.00 8.14 C ATOM 1763 CG LEU A 209 17.016 -6.762 0.081 1.00 8.15 C ATOM 1764 CD1 LEU A 209 16.031 -6.184 1.131 1.00 10.25 C ATOM 1765 CD2 LEU A 209 18.109 -5.805 -0.122 1.00 9.78 C ATOM 1766 H LEU A 209 18.247 -10.469 1.164 1.00 0.00 H ATOM 1767 N GLU A 210 14.700 -9.235 -0.927 1.00 7.94 N ATOM 1768 CA GLU A 210 14.005 -9.383 -2.178 1.00 7.60 C ATOM 1769 C GLU A 210 13.579 -8.069 -2.770 1.00 7.77 C ATOM 1770 O GLU A 210 13.599 -7.873 -3.984 1.00 9.38 O ATOM 1771 CB GLU A 210 12.795 -10.298 -2.047 1.00 10.44 C ATOM 1772 CG GLU A 210 13.220 -11.758 -2.004 1.00 14.35 C ATOM 1773 CD GLU A 210 13.713 -12.413 -3.348 1.00 13.01 C ATOM 1774 OE1 GLU A 210 13.628 -11.771 -4.372 1.00 20.87 O ATOM 1775 OE2 GLU A 210 14.185 -13.489 -3.179 1.00 22.94 O ATOM 1776 H GLU A 210 14.151 -8.947 -0.092 1.00 0.00 H ATOM 1777 N GLY A 211 13.149 -7.114 -1.925 1.00 8.42 N ATOM 1778 CA GLY A 211 12.576 -5.865 -2.445 1.00 9.48 C ATOM 1779 C GLY A 211 12.953 -4.694 -1.584 1.00 7.83 C ATOM 1780 O GLY A 211 13.337 -4.860 -0.414 1.00 8.51 O ATOM 1781 H GLY A 211 13.223 -7.261 -0.898 1.00 0.00 H ATOM 1782 N VAL A 212 12.782 -3.497 -2.140 1.00 7.34 N ATOM 1783 CA VAL A 212 12.947 -2.250 -1.386 1.00 7.26 C ATOM 1784 C VAL A 212 11.606 -1.496 -1.490 1.00 7.00 C ATOM 1785 O VAL A 212 11.111 -1.317 -2.594 1.00 8.07 O ATOM 1786 CB VAL A 212 14.100 -1.405 -1.985 1.00 8.09 C ATOM 1787 CG1 VAL A 212 14.116 -0.038 -1.302 1.00 9.67 C ATOM 1788 CG2 VAL A 212 15.452 -2.151 -1.799 1.00 9.20 C ATOM 1789 H VAL A 212 12.522 -3.444 -3.146 1.00 0.00 H ATOM 1790 N VAL A 213 11.052 -1.048 -0.363 1.00 8.13 N ATOM 1791 CA VAL A 213 9.739 -0.384 -0.425 1.00 8.76 C ATOM 1792 C VAL A 213 9.837 0.832 -1.311 1.00 8.49 C ATOM 1793 O VAL A 213 10.760 1.682 -1.099 1.00 8.98 O ATOM 1794 CB VAL A 213 9.307 0.079 1.024 1.00 10.17 C ATOM 1795 CG1 VAL A 213 8.002 0.732 0.967 1.00 11.73 C ATOM 1796 CG2 VAL A 213 9.357 -1.110 1.993 1.00 12.94 C ATOM 1797 H VAL A 213 11.541 -1.166 0.548 1.00 0.00 H ATOM 1798 N THR A 214 8.945 0.954 -2.274 1.00 9.23 N ATOM 1799 CA THR A 214 8.925 2.182 -3.042 1.00 10.64 C ATOM 1800 C THR A 214 8.542 3.391 -2.156 1.00 13.44 C ATOM 1801 O THR A 214 7.850 3.285 -1.127 1.00 15.58 O ATOM 1802 CB THR A 214 8.088 2.055 -4.268 1.00 13.72 C ATOM 1803 OG1 THR A 214 6.770 1.739 -3.892 1.00 14.73 O ATOM 1804 CG2 THR A 214 8.540 1.036 -5.308 1.00 14.57 C ATOM 1805 HG1 THR A 214 6.766 0.883 -3.394 1.00 0.00 H ATOM 1806 H THR A 214 8.272 0.187 -2.477 1.00 0.00 H ATOM 1807 N SER A 215 8.942 4.564 -2.611 1.00 13.27 N ATOM 1808 CA SER A 215 8.853 5.770 -1.748 1.00 13.83 C ATOM 1809 C SER A 215 7.943 6.829 -2.301 1.00 15.16 C ATOM 1810 O SER A 215 7.916 7.935 -1.783 1.00 17.35 O ATOM 1811 CB SER A 215 10.198 6.347 -1.468 1.00 13.32 C ATOM 1812 OG SER A 215 10.809 6.733 -2.692 1.00 14.00 O ATOM 1813 HG SER A 215 10.904 5.940 -3.277 1.00 0.00 H ATOM 1814 H SER A 215 9.321 4.644 -3.576 1.00 0.00 H ATOM 1815 N GLY A 216 7.212 6.515 -3.385 1.00 16.87 N ATOM 1816 CA GLY A 216 6.093 7.363 -3.845 1.00 16.34 C ATOM 1817 C GLY A 216 4.987 7.436 -2.778 1.00 15.35 C ATOM 1818 O GLY A 216 4.820 6.601 -1.946 1.00 14.48 O ATOM 1819 H GLY A 216 7.441 5.650 -3.915 1.00 0.00 H ATOM 1820 N SER A 217 4.156 8.438 -2.831 1.00 16.47 N ATOM 1821 CA SER A 217 3.000 8.450 -1.995 1.00 16.53 C ATOM 1822 C SER A 217 2.080 7.287 -2.334 1.00 15.67 C ATOM 1823 O SER A 217 1.662 7.095 -3.496 1.00 18.83 O ATOM 1824 CB SER A 217 2.307 9.839 -2.133 1.00 17.26 C ATOM 1825 OG SER A 217 3.274 10.854 -1.805 1.00 19.78 O ATOM 1826 HG SER A 217 2.854 11.747 -1.886 1.00 0.00 H ATOM 1827 H SER A 217 4.335 9.229 -3.482 1.00 0.00 H ATOM 1828 N ARG A 218 1.772 6.474 -1.332 1.00 17.30 N ATOM 1829 CA ARG A 218 0.690 5.564 -1.528 1.00 14.20 C ATOM 1830 C ARG A 218 -0.213 5.454 -0.332 1.00 11.89 C ATOM 1831 O ARG A 218 0.282 5.495 0.836 1.00 13.45 O ATOM 1832 CB ARG A 218 1.287 4.177 -1.901 1.00 12.52 C ATOM 1833 CG ARG A 218 0.245 3.078 -2.083 1.00 12.66 C ATOM 1834 CD ARG A 218 0.935 1.712 -2.413 1.00 13.42 C ATOM 1835 NE ARG A 218 1.774 1.269 -1.317 1.00 12.32 N ATOM 1836 CZ ARG A 218 1.365 0.678 -0.201 1.00 10.73 C ATOM 1837 NH1 ARG A 218 0.149 0.159 -0.043 1.00 11.59 N ATOM 1838 NH2 ARG A 218 2.198 0.486 0.804 1.00 12.90 N ATOM 1839 HE ARG A 218 2.797 1.430 -1.415 1.00 0.00 H ATOM 1840 HH12 ARG A 218 -0.111 -0.292 0.858 1.00 0.00 H ATOM 1841 HH11 ARG A 218 -0.541 0.204 -0.820 1.00 0.00 H ATOM 1842 HH22 ARG A 218 1.866 0.022 1.673 1.00 0.00 H ATOM 1843 HH21 ARG A 218 3.187 0.799 0.727 1.00 0.00 H ATOM 1844 H ARG A 218 2.300 6.499 -0.436 1.00 0.00 H ATOM 1845 N VAL A 219 -1.511 5.301 -0.551 1.00 13.40 N ATOM 1846 CA VAL A 219 -2.408 5.070 0.563 1.00 12.48 C ATOM 1847 C VAL A 219 -1.930 3.869 1.370 1.00 13.25 C ATOM 1848 O VAL A 219 -1.390 2.860 0.847 1.00 12.96 O ATOM 1849 CB VAL A 219 -3.874 4.855 0.007 1.00 13.53 C ATOM 1850 CG1 VAL A 219 -3.968 3.696 -0.953 1.00 15.41 C ATOM 1851 CG2 VAL A 219 -4.852 4.831 1.088 1.00 15.82 C ATOM 1852 H VAL A 219 -1.885 5.347 -1.520 1.00 0.00 H ATOM 1853 N CYS A 220 -2.160 4.003 2.618 1.00 14.61 N ATOM 1854 CA CYS A 220 -1.735 2.904 3.499 1.00 13.31 C ATOM 1855 C CYS A 220 -2.849 2.025 4.032 1.00 14.29 C ATOM 1856 O CYS A 220 -3.806 2.467 4.626 1.00 16.25 O ATOM 1857 CB CYS A 220 -0.957 3.407 4.707 1.00 15.94 C ATOM 1858 SG CYS A 220 0.107 4.701 4.317 1.00 15.03 S ATOM 1859 H CYS A 220 -2.627 4.852 2.996 1.00 0.00 H ATOM 1860 N GLY A 221 -2.694 0.719 3.808 1.00 14.22 N ATOM 1861 CA GLY A 221 -3.648 -0.257 4.423 1.00 16.42 C ATOM 1862 C GLY A 221 -4.930 -0.508 3.646 1.00 14.35 C ATOM 1863 O GLY A 221 -5.859 -1.067 4.216 1.00 18.37 O ATOM 1864 H GLY A 221 -1.914 0.381 3.209 1.00 0.00 H ATOM 1865 N ASN A 222 -5.024 -0.052 2.399 1.00 14.65 N ATOM 1866 CA ASN A 222 -6.188 -0.323 1.551 1.00 15.19 C ATOM 1867 C ASN A 222 -5.840 -1.575 0.752 1.00 13.55 C ATOM 1868 O ASN A 222 -4.955 -1.525 -0.108 1.00 13.08 O ATOM 1869 CB ASN A 222 -6.374 0.860 0.601 1.00 16.04 C ATOM 1870 CG ASN A 222 -7.524 0.643 -0.363 1.00 20.05 C ATOM 1871 OD1 ASN A 222 -8.103 -0.438 -0.436 1.00 19.16 O ATOM 1872 ND2 ASN A 222 -7.854 1.718 -1.140 1.00 23.49 N ATOM 1873 HD22 ASN A 222 -7.332 2.612 -1.039 1.00 0.00 H ATOM 1874 HD21 ASN A 222 -8.627 1.642 -1.832 1.00 0.00 H ATOM 1875 H ASN A 222 -4.244 0.517 2.013 1.00 0.00 H ATOM 1876 N ARG A 223 -6.569 -2.670 0.885 1.00 14.67 N ATOM 1877 CA ARG A 223 -6.268 -3.913 0.138 1.00 13.62 C ATOM 1878 C ARG A 223 -6.311 -3.712 -1.368 1.00 14.96 C ATOM 1879 O ARG A 223 -5.676 -4.467 -2.085 1.00 14.84 O ATOM 1880 CB ARG A 223 -7.210 -5.064 0.473 1.00 15.10 C ATOM 1881 CG ARG A 223 -8.655 -4.812 0.121 1.00 21.22 C ATOM 1882 CD ARG A 223 -9.568 -5.908 0.728 1.00 23.04 C ATOM 1883 NE ARG A 223 -10.963 -5.703 0.340 1.00 30.39 N ATOM 1884 CZ ARG A 223 -11.494 -6.173 -0.785 1.00 31.81 C ATOM 1885 NH1 ARG A 223 -10.748 -6.904 -1.653 1.00 34.37 N ATOM 1886 NH2 ARG A 223 -12.769 -5.908 -1.032 1.00 32.82 N ATOM 1887 HE ARG A 223 -11.575 -5.158 0.981 1.00 0.00 H ATOM 1888 HH12 ARG A 223 -11.175 -7.266 -2.529 1.00 0.00 H ATOM 1889 HH11 ARG A 223 -9.749 -7.102 -1.441 1.00 0.00 H ATOM 1890 HH22 ARG A 223 -13.214 -6.261 -1.903 1.00 0.00 H ATOM 1891 HH21 ARG A 223 -13.324 -5.347 -0.355 1.00 0.00 H ATOM 1892 H ARG A 223 -7.380 -2.658 1.535 1.00 0.00 H ATOM 1893 N LYS A 223A -7.033 -2.706 -1.886 1.00 15.24 N ATOM 1894 CA LYS A 223A -7.051 -2.498 -3.332 1.00 15.84 C ATOM 1895 C LYS A 223A -5.864 -1.718 -3.861 1.00 14.43 C ATOM 1896 O LYS A 223A -5.789 -1.444 -5.050 1.00 14.95 O ATOM 1897 CB LYS A 223A -8.350 -1.790 -3.811 1.00 18.75 C ATOM 1898 CG LYS A 223A -9.565 -2.607 -3.364 1.00 20.93 C ATOM 1899 CD LYS A 223A -9.605 -3.836 -4.285 1.00 29.50 C ATOM 1900 CE LYS A 223A -10.825 -4.757 -4.067 1.00 37.21 C ATOM 1901 NZ LYS A 223A -11.325 -5.498 -5.331 1.00 42.28 N ATOM 1902 HZ1 LYS A 223A -11.603 -4.802 -6.052 1.00 0.00 H ATOM 1903 HZ2 LYS A 223A -10.562 -6.099 -5.704 1.00 0.00 H ATOM 1904 HZ3 LYS A 223A -12.144 -6.089 -5.084 1.00 0.00 H ATOM 1905 H LYS A 223A -7.577 -2.078 -1.261 1.00 0.00 H ATOM 1906 N LYS A 224 -4.999 -1.280 -2.948 1.00 13.14 N ATOM 1907 CA LYS A 224 -3.760 -0.560 -3.427 1.00 12.78 C ATOM 1908 C LYS A 224 -2.597 -1.280 -2.742 1.00 11.09 C ATOM 1909 O LYS A 224 -2.069 -0.778 -1.747 1.00 11.86 O ATOM 1910 CB LYS A 224 -3.804 0.939 -3.167 1.00 14.14 C ATOM 1911 CG LYS A 224 -4.879 1.669 -3.987 1.00 15.07 C ATOM 1912 CD LYS A 224 -4.586 1.720 -5.517 1.00 20.36 C ATOM 1913 CE LYS A 224 -5.733 2.237 -6.428 1.00 21.40 C ATOM 1914 NZ LYS A 224 -6.786 1.152 -6.403 1.00 24.74 N ATOM 1915 HZ1 LYS A 224 -6.379 0.267 -6.768 1.00 0.00 H ATOM 1916 HZ2 LYS A 224 -7.111 1.008 -5.426 1.00 0.00 H ATOM 1917 HZ3 LYS A 224 -7.590 1.437 -6.999 1.00 0.00 H ATOM 1918 H LYS A 224 -5.172 -1.429 -1.933 1.00 0.00 H ATOM 1919 N PRO A 225 -2.153 -2.449 -3.268 1.00 10.38 N ATOM 1920 CA PRO A 225 -1.071 -3.258 -2.655 1.00 10.25 C ATOM 1921 C PRO A 225 0.236 -2.488 -2.510 1.00 8.68 C ATOM 1922 O PRO A 225 0.495 -1.533 -3.226 1.00 10.18 O ATOM 1923 CB PRO A 225 -0.902 -4.405 -3.634 1.00 11.53 C ATOM 1924 CG PRO A 225 -2.260 -4.589 -4.277 1.00 12.31 C ATOM 1925 CD PRO A 225 -2.782 -3.145 -4.433 1.00 11.66 C ATOM 1926 N GLY A 226 1.023 -2.931 -1.565 1.00 9.15 N ATOM 1927 CA GLY A 226 2.383 -2.454 -1.459 1.00 8.82 C ATOM 1928 C GLY A 226 3.197 -2.763 -2.700 1.00 8.64 C ATOM 1929 O GLY A 226 3.057 -3.827 -3.275 1.00 10.57 O ATOM 1930 H GLY A 226 0.668 -3.632 -0.884 1.00 0.00 H ATOM 1931 N ILE A 227 4.037 -1.815 -3.106 1.00 9.01 N ATOM 1932 CA ILE A 227 4.910 -1.962 -4.284 1.00 9.42 C ATOM 1933 C ILE A 227 6.359 -1.920 -3.827 1.00 8.74 C ATOM 1934 O ILE A 227 6.743 -1.019 -3.066 1.00 8.67 O ATOM 1935 CB ILE A 227 4.659 -0.865 -5.311 1.00 10.05 C ATOM 1936 CG1 ILE A 227 3.152 -0.799 -5.670 1.00 10.76 C ATOM 1937 CG2 ILE A 227 5.537 -1.117 -6.565 1.00 10.97 C ATOM 1938 CD1 ILE A 227 2.829 0.385 -6.595 1.00 14.27 C ATOM 1939 H ILE A 227 4.080 -0.927 -2.566 1.00 0.00 H ATOM 1940 N TYR A 228 7.146 -2.852 -4.313 1.00 7.98 N ATOM 1941 CA TYR A 228 8.535 -3.026 -3.853 1.00 7.68 C ATOM 1942 C TYR A 228 9.415 -3.180 -5.056 1.00 8.68 C ATOM 1943 O TYR A 228 9.043 -3.932 -5.980 1.00 10.11 O ATOM 1944 CB TYR A 228 8.663 -4.263 -2.922 1.00 9.37 C ATOM 1945 CG TYR A 228 7.734 -4.207 -1.714 1.00 8.67 C ATOM 1946 CD1 TYR A 228 6.397 -4.582 -1.854 1.00 9.95 C ATOM 1947 CD2 TYR A 228 8.165 -3.741 -0.451 1.00 11.25 C ATOM 1948 CE1 TYR A 228 5.482 -4.439 -0.794 1.00 13.29 C ATOM 1949 CE2 TYR A 228 7.178 -3.691 0.596 1.00 11.62 C ATOM 1950 CZ TYR A 228 5.847 -3.984 0.347 1.00 14.59 C ATOM 1951 OH TYR A 228 4.975 -3.865 1.463 1.00 14.99 O ATOM 1952 HH TYR A 228 4.053 -4.094 1.185 1.00 0.00 H ATOM 1953 H TYR A 228 6.776 -3.489 -5.047 1.00 0.00 H ATOM 1954 N THR A 229 10.557 -2.497 -5.097 1.00 7.88 N ATOM 1955 CA THR A 229 11.494 -2.666 -6.210 1.00 7.73 C ATOM 1956 C THR A 229 12.246 -3.975 -6.062 1.00 7.72 C ATOM 1957 O THR A 229 12.801 -4.214 -4.992 1.00 8.82 O ATOM 1958 CB THR A 229 12.456 -1.489 -6.255 1.00 8.58 C ATOM 1959 OG1 THR A 229 11.684 -0.265 -6.251 1.00 9.69 O ATOM 1960 CG2 THR A 229 13.399 -1.579 -7.458 1.00 9.19 C ATOM 1961 HG1 THR A 229 11.091 -0.248 -7.043 1.00 0.00 H ATOM 1962 H THR A 229 10.787 -1.835 -4.329 1.00 0.00 H ATOM 1963 N ARG A 230 12.307 -4.812 -7.087 1.00 7.44 N ATOM 1964 CA ARG A 230 12.987 -6.095 -6.999 1.00 7.67 C ATOM 1965 C ARG A 230 14.504 -5.907 -7.151 1.00 8.34 C ATOM 1966 O ARG A 230 15.012 -5.534 -8.201 1.00 8.84 O ATOM 1967 CB ARG A 230 12.492 -6.997 -8.129 1.00 8.21 C ATOM 1968 CG ARG A 230 11.012 -7.372 -7.982 1.00 10.19 C ATOM 1969 CD ARG A 230 10.472 -8.311 -9.098 1.00 10.12 C ATOM 1970 NE ARG A 230 11.248 -9.523 -9.154 1.00 10.36 N ATOM 1971 CZ ARG A 230 12.210 -9.814 -10.038 1.00 11.32 C ATOM 1972 NH1 ARG A 230 12.398 -9.070 -11.111 1.00 11.58 N ATOM 1973 NH2 ARG A 230 13.026 -10.828 -9.827 1.00 12.36 N ATOM 1974 HE ARG A 230 11.040 -10.245 -8.435 1.00 0.00 H ATOM 1975 HH12 ARG A 230 13.151 -9.312 -11.786 1.00 0.00 H ATOM 1976 HH11 ARG A 230 11.793 -8.241 -11.282 1.00 0.00 H ATOM 1977 HH22 ARG A 230 13.771 -11.048 -10.518 1.00 0.00 H ATOM 1978 HH21 ARG A 230 12.924 -11.407 -8.969 1.00 0.00 H ATOM 1979 H ARG A 230 11.854 -4.543 -7.984 1.00 0.00 H ATOM 1980 N VAL A 231 15.226 -6.217 -6.076 1.00 8.03 N ATOM 1981 CA VAL A 231 16.647 -5.931 -6.104 1.00 8.00 C ATOM 1982 C VAL A 231 17.367 -6.832 -7.127 1.00 8.57 C ATOM 1983 O VAL A 231 18.320 -6.333 -7.752 1.00 9.38 O ATOM 1984 CB VAL A 231 17.332 -6.083 -4.726 1.00 9.86 C ATOM 1985 CG1 VAL A 231 16.756 -5.062 -3.785 1.00 11.31 C ATOM 1986 CG2 VAL A 231 17.283 -7.487 -4.226 1.00 9.84 C ATOM 1987 H VAL A 231 14.784 -6.651 -5.241 1.00 0.00 H ATOM 1988 N ALA A 232 16.848 -7.993 -7.471 1.00 9.15 N ATOM 1989 CA ALA A 232 17.542 -8.869 -8.384 1.00 10.54 C ATOM 1990 C ALA A 232 17.560 -8.176 -9.744 1.00 11.36 C ATOM 1991 O ALA A 232 18.450 -8.430 -10.581 1.00 13.88 O ATOM 1992 CB ALA A 232 16.911 -10.240 -8.470 1.00 11.69 C ATOM 1993 H ALA A 232 15.928 -8.281 -7.080 1.00 0.00 H ATOM 1994 N SER A 233 16.521 -7.371 -10.072 1.00 11.13 N ATOM 1995 CA SER A 233 16.420 -6.731 -11.351 1.00 11.80 C ATOM 1996 C SER A 233 17.451 -5.625 -11.523 1.00 12.29 C ATOM 1997 O SER A 233 17.694 -5.143 -12.644 1.00 13.74 O ATOM 1998 CB SER A 233 14.966 -6.169 -11.486 1.00 11.77 C ATOM 1999 OG SER A 233 14.661 -5.764 -12.777 1.00 14.67 O ATOM 2000 HG SER A 233 14.745 -6.535 -13.392 1.00 0.00 H ATOM 2001 H SER A 233 15.770 -7.211 -9.371 1.00 0.00 H ATOM 2002 N TYR A 234 18.078 -5.230 -10.435 1.00 10.04 N ATOM 2003 CA TYR A 234 19.007 -4.113 -10.423 1.00 9.84 C ATOM 2004 C TYR A 234 20.413 -4.557 -9.955 1.00 10.77 C ATOM 2005 O TYR A 234 21.261 -3.729 -9.560 1.00 10.70 O ATOM 2006 CB TYR A 234 18.473 -2.978 -9.500 1.00 10.26 C ATOM 2007 CG TYR A 234 17.303 -2.321 -10.080 1.00 10.06 C ATOM 2008 CD1 TYR A 234 17.459 -1.297 -10.970 1.00 11.02 C ATOM 2009 CD2 TYR A 234 16.008 -2.826 -9.836 1.00 8.94 C ATOM 2010 CE1 TYR A 234 16.369 -0.711 -11.598 1.00 12.19 C ATOM 2011 CE2 TYR A 234 14.938 -2.293 -10.451 1.00 10.03 C ATOM 2012 CZ TYR A 234 15.077 -1.195 -11.315 1.00 10.29 C ATOM 2013 OH TYR A 234 14.057 -0.618 -12.033 1.00 13.28 O ATOM 2014 HH TYR A 234 14.415 0.137 -12.564 1.00 0.00 H ATOM 2015 H TYR A 234 17.901 -5.739 -9.546 1.00 0.00 H ATOM 2016 N ALA A 235 20.714 -5.862 -10.021 1.00 12.33 N ATOM 2017 CA ALA A 235 21.977 -6.436 -9.511 1.00 14.45 C ATOM 2018 C ALA A 235 23.173 -5.790 -10.166 1.00 14.49 C ATOM 2019 O ALA A 235 24.152 -5.455 -9.449 1.00 16.13 O ATOM 2020 CB ALA A 235 21.989 -7.953 -9.769 1.00 16.10 C ATOM 2021 H ALA A 235 20.021 -6.505 -10.455 1.00 0.00 H ATOM 2022 N ALA A 236 23.118 -5.617 -11.501 1.00 15.01 N ATOM 2023 CA ALA A 236 24.286 -5.030 -12.132 1.00 16.48 C ATOM 2024 C ALA A 236 24.518 -3.580 -11.739 1.00 14.60 C ATOM 2025 O ALA A 236 25.652 -3.134 -11.647 1.00 15.28 O ATOM 2026 CB ALA A 236 24.130 -5.167 -13.600 1.00 18.49 C ATOM 2027 H ALA A 236 22.280 -5.891 -12.052 1.00 0.00 H ATOM 2028 N TRP A 237 23.479 -2.805 -11.539 1.00 13.49 N ATOM 2029 CA TRP A 237 23.638 -1.473 -11.084 1.00 11.50 C ATOM 2030 C TRP A 237 24.223 -1.408 -9.670 1.00 10.98 C ATOM 2031 O TRP A 237 25.216 -0.684 -9.424 1.00 11.20 O ATOM 2032 CB TRP A 237 22.342 -0.703 -11.145 1.00 11.70 C ATOM 2033 CG TRP A 237 22.440 0.675 -10.554 1.00 10.41 C ATOM 2034 CD1 TRP A 237 23.066 1.725 -11.139 1.00 11.74 C ATOM 2035 CD2 TRP A 237 21.979 1.146 -9.243 1.00 10.83 C ATOM 2036 NE1 TRP A 237 23.025 2.851 -10.290 1.00 13.35 N ATOM 2037 CE2 TRP A 237 22.381 2.471 -9.107 1.00 10.65 C ATOM 2038 CE3 TRP A 237 21.263 0.525 -8.166 1.00 9.37 C ATOM 2039 CZ2 TRP A 237 22.071 3.222 -7.967 1.00 10.69 C ATOM 2040 CZ3 TRP A 237 20.989 1.255 -7.043 1.00 8.67 C ATOM 2041 CH2 TRP A 237 21.419 2.587 -6.939 1.00 9.66 C ATOM 2042 HE1 TRP A 237 23.405 3.795 -10.505 1.00 0.00 H ATOM 2043 H TRP A 237 22.523 -3.174 -11.717 1.00 0.00 H ATOM 2044 N ILE A 238 23.676 -2.261 -8.770 1.00 10.86 N ATOM 2045 CA ILE A 238 24.195 -2.273 -7.372 1.00 10.78 C ATOM 2046 C ILE A 238 25.711 -2.595 -7.439 1.00 12.61 C ATOM 2047 O ILE A 238 26.593 -1.926 -6.865 1.00 12.97 O ATOM 2048 CB ILE A 238 23.418 -3.261 -6.528 1.00 12.53 C ATOM 2049 CG1 ILE A 238 21.945 -2.765 -6.332 1.00 13.35 C ATOM 2050 CG2 ILE A 238 24.090 -3.429 -5.171 1.00 13.72 C ATOM 2051 CD1 ILE A 238 20.964 -3.813 -5.708 1.00 15.65 C ATOM 2052 H ILE A 238 22.904 -2.899 -9.051 1.00 0.00 H ATOM 2053 N ASP A 239 26.067 -3.600 -8.257 1.00 13.81 N ATOM 2054 CA ASP A 239 27.494 -4.016 -8.313 1.00 14.68 C ATOM 2055 C ASP A 239 28.329 -2.913 -8.909 1.00 12.33 C ATOM 2056 O ASP A 239 29.465 -2.646 -8.433 1.00 14.70 O ATOM 2057 CB ASP A 239 27.576 -5.275 -9.219 1.00 15.15 C ATOM 2058 CG ASP A 239 27.098 -6.562 -8.495 1.00 16.20 C ATOM 2059 OD1 ASP A 239 27.069 -6.689 -7.273 1.00 19.54 O ATOM 2060 OD2 ASP A 239 26.842 -7.501 -9.204 1.00 23.16 O ATOM 2061 H ASP A 239 25.355 -4.080 -8.843 1.00 0.00 H ATOM 2062 N SER A 240 27.852 -2.211 -9.889 1.00 13.34 N ATOM 2063 CA SER A 240 28.677 -1.152 -10.474 1.00 14.09 C ATOM 2064 C SER A 240 28.911 0.002 -9.521 1.00 13.53 C ATOM 2065 O SER A 240 30.067 0.528 -9.412 1.00 15.31 O ATOM 2066 CB SER A 240 27.950 -0.646 -11.669 1.00 14.67 C ATOM 2067 OG SER A 240 28.657 0.477 -12.108 1.00 19.09 O ATOM 2068 HG SER A 240 28.211 0.854 -12.907 1.00 0.00 H ATOM 2069 H SER A 240 26.896 -2.397 -10.255 1.00 0.00 H ATOM 2070 N VAL A 241 27.918 0.410 -8.716 1.00 11.95 N ATOM 2071 CA VAL A 241 28.120 1.480 -7.765 1.00 12.85 C ATOM 2072 C VAL A 241 29.122 1.023 -6.727 1.00 15.00 C ATOM 2073 O VAL A 241 30.101 1.831 -6.351 1.00 15.34 O ATOM 2074 CB VAL A 241 26.798 1.875 -7.212 1.00 10.31 C ATOM 2075 CG1 VAL A 241 27.009 2.902 -6.100 1.00 12.48 C ATOM 2076 CG2 VAL A 241 25.916 2.460 -8.327 1.00 12.66 C ATOM 2077 H VAL A 241 26.988 -0.051 -8.777 1.00 0.00 H ATOM 2078 N LEU A 242 28.914 -0.147 -6.134 1.00 13.19 N ATOM 2079 CA LEU A 242 29.961 -0.592 -5.213 1.00 16.67 C ATOM 2080 C LEU A 242 31.370 -0.629 -5.793 1.00 17.91 C ATOM 2081 O LEU A 242 32.358 -0.255 -5.047 1.00 21.08 O ATOM 2082 CB LEU A 242 29.573 -1.897 -4.591 1.00 15.27 C ATOM 2083 CG LEU A 242 28.640 -1.756 -3.388 1.00 17.90 C ATOM 2084 CD1 LEU A 242 27.338 -1.005 -3.619 1.00 15.19 C ATOM 2085 CD2 LEU A 242 28.226 -3.070 -2.889 1.00 18.76 C ATOM 2086 H LEU A 242 28.060 -0.712 -6.313 1.00 0.00 H ATOM 2087 N ALA A 243 31.499 -0.980 -7.066 1.00 17.25 N ATOM 2088 CA ALA A 243 32.889 -1.118 -7.600 1.00 19.08 C ATOM 2089 C ALA A 243 33.465 0.309 -7.724 1.00 21.90 C ATOM 2090 O ALA A 243 34.702 0.435 -7.729 1.00 24.65 O ATOM 2091 CB ALA A 243 32.859 -1.772 -8.962 1.00 17.93 C ATOM 2092 H ALA A 243 30.668 -1.152 -7.667 1.00 0.00 H ATOM 2093 N SER A 244 32.601 1.353 -7.848 1.00 24.92 N ATOM 2094 CA SER A 244 32.941 2.807 -7.889 1.00 28.57 C ATOM 2095 C SER A 244 33.916 3.169 -6.734 1.00 29.03 C ATOM 2096 O SER A 244 34.729 4.070 -6.914 1.00 34.35 O ATOM 2097 CB SER A 244 31.659 3.699 -7.850 1.00 26.52 C ATOM 2098 OG SER A 244 31.026 3.525 -6.624 1.00 28.30 O ATOM 2099 HG SER A 244 30.776 2.573 -6.515 1.00 0.00 H ATOM 2100 H SER A 244 31.592 1.112 -7.922 1.00 0.00 H ATOM 2101 N ALA A 245 33.948 2.423 -5.643 1.00 30.43 N ATOM 2102 CA ALA A 245 34.903 2.617 -4.504 1.00 30.86 C ATOM 2103 C ALA A 245 36.242 1.982 -4.866 1.00 32.20 C ATOM 2104 O ALA A 245 36.503 0.814 -4.432 1.00 34.72 O ATOM 2105 CB ALA A 245 34.348 1.951 -3.264 1.00 30.68 C ATOM 2106 H ALA A 245 33.261 1.646 -5.570 1.00 0.00 H TER 2107 ALA A 245 HETATM 2108 O HOH 1 5.404 13.745 12.386 1.00 30.32 O HETATM 2109 O HOH 2 6.784 12.603 2.219 1.00 33.10 O HETATM 2110 O HOH 3 10.397 15.419 -2.053 1.00 34.63 O HETATM 2111 O HOH 4 14.031 -14.948 -1.169 1.00 22.18 O HETATM 2112 O HOH 5 8.657 -0.804 24.035 1.00 19.62 O HETATM 2113 O HOH 6 27.420 1.432 -14.135 1.00 18.45 O HETATM 2114 O HOH 7 10.101 15.876 -6.170 1.00 33.35 O HETATM 2115 O HOH 8 3.940 11.643 11.189 1.00 18.04 O HETATM 2116 O HOH 9 12.601 -6.874 7.394 1.00 24.36 O HETATM 2117 O HOH 10 8.297 12.327 -6.799 1.00 38.07 O HETATM 2118 O HOH 11 22.810 -2.964 21.375 1.00 29.43 O HETATM 2119 O HOH 12 28.031 -0.182 13.409 1.00 14.70 O HETATM 2120 O HOH 13 -4.717 -2.146 10.776 1.00 36.42 O HETATM 2121 O HOH 14 13.695 10.352 -7.521 1.00 26.68 O HETATM 2122 O HOH 15 18.178 -9.448 -14.733 1.00 27.63 O HETATM 2123 O HOH 16 14.057 -7.942 -14.136 1.00 19.10 O HETATM 2124 O HOH 17 1.796 -1.074 13.314 1.00 22.91 O HETATM 2125 O HOH 18 -3.742 -8.387 -14.660 1.00 24.72 O HETATM 2126 O HOH 19 2.877 -1.040 15.736 1.00 26.14 O HETATM 2127 O HOH 20 9.827 -15.996 3.454 1.00 28.40 O HETATM 2128 O HOH 21 33.640 -3.579 9.030 1.00 32.59 O HETATM 2129 O HOH 22 30.549 8.233 10.363 1.00 26.73 O HETATM 2130 O HOH 23 -5.905 2.146 6.232 1.00 24.50 O HETATM 2131 O HOH 24 21.193 -2.233 12.058 1.00 13.80 O HETATM 2132 O HOH 25 26.797 12.830 6.187 1.00 14.84 O HETATM 2133 O HOH 26 23.275 -11.027 13.957 1.00 27.78 O HETATM 2134 O HOH 27 23.383 8.780 -9.673 1.00 26.10 O HETATM 2135 O HOH 28 14.076 7.480 26.845 1.00 20.17 O HETATM 2136 O HOH 29 11.410 9.050 19.280 1.00 30.60 O HETATM 2137 O HOH 30 9.857 -0.385 -13.215 1.00 15.68 O HETATM 2138 O HOH 31 -0.825 -13.558 -1.477 1.00 16.93 O HETATM 2139 O HOH 32 18.235 -12.219 14.165 1.00 36.55 O HETATM 2140 O HOH 33 31.883 0.641 -11.396 1.00 23.70 O HETATM 2141 O HOH 34 12.208 1.273 -4.104 1.00 10.50 O HETATM 2142 O HOH 35 20.828 13.447 9.484 1.00 16.33 O HETATM 2143 O HOH 36 11.766 7.062 -10.020 1.00 14.50 O HETATM 2144 O HOH 37 8.419 -19.093 -1.182 1.00 29.40 O HETATM 2145 O HOH 38 27.576 -0.599 16.078 1.00 16.00 O HETATM 2146 O HOH 39 17.466 8.799 15.607 1.00 13.16 O HETATM 2147 O HOH 40 11.539 -0.349 -11.065 1.00 12.20 O HETATM 2148 O HOH 41 14.288 8.778 24.610 1.00 26.05 O HETATM 2149 O HOH 42 -1.197 -13.800 -5.336 1.00 15.84 O HETATM 2150 O HOH 43 5.662 1.612 -13.647 1.00 18.66 O HETATM 2151 O HOH 44 11.678 13.231 8.470 1.00 29.81 O HETATM 2152 O HOH 45 4.385 -9.374 -7.198 1.00 16.09 O HETATM 2153 O HOH 46 11.363 1.072 -8.605 1.00 9.77 O HETATM 2154 O HOH 47 35.370 8.747 4.204 1.00 17.41 O HETATM 2155 O HOH 48 1.699 3.213 2.178 1.00 23.95 O HETATM 2156 O HOH 49 24.784 -8.473 1.318 1.00 16.81 O HETATM 2157 O HOH 50 4.058 -5.727 -16.323 1.00 47.70 O HETATM 2158 O HOH 51 -0.947 0.030 13.378 1.00 23.38 O HETATM 2159 O HOH 52 16.185 10.665 -8.400 1.00 26.69 O HETATM 2160 O HOH 53 4.511 -1.822 19.110 1.00 31.05 O HETATM 2161 O HOH 54 6.461 1.675 11.967 1.00 10.05 O HETATM 2162 O HOH 55 30.977 -4.648 -7.286 1.00 23.26 O HETATM 2163 O HOH 56 20.262 -3.759 15.522 1.00 12.02 O HETATM 2164 O HOH 57 11.504 0.852 6.524 1.00 9.00 O HETATM 2165 O HOH 58 19.829 10.057 15.214 1.00 14.96 O HETATM 2166 O HOH 59 17.310 19.609 3.090 1.00 33.46 O HETATM 2167 O HOH 60 -2.908 0.550 0.673 1.00 12.05 O HETATM 2168 O HOH 61 9.359 7.215 13.858 1.00 10.83 O HETATM 2169 O HOH 62 11.805 6.772 -14.087 1.00 22.73 O HETATM 2170 O HOH 63 27.782 -4.088 -13.158 1.00 21.32 O HETATM 2171 O HOH 64 8.536 -11.745 -7.286 1.00 24.56 O HETATM 2172 O HOH 65 26.664 -6.932 -1.375 1.00 26.39 O HETATM 2173 O HOH 66 4.981 6.946 19.391 1.00 28.85 O HETATM 2174 O HOH 67 36.847 5.651 5.363 1.00 32.22 O HETATM 2175 O HOH 68 23.813 4.641 21.055 1.00 23.54 O HETATM 2176 O HOH 69 14.200 -6.373 14.588 1.00 13.03 O HETATM 2177 O HOH 70 18.086 11.303 21.535 1.00 20.01 O HETATM 2178 O HOH 71 17.432 10.931 -4.934 1.00 22.77 O HETATM 2179 O HOH 72 14.582 -9.338 -6.160 1.00 12.34 O HETATM 2180 O HOH 73 26.496 10.506 -6.484 1.00 24.74 O HETATM 2181 O HOH 74 28.271 -3.257 15.739 1.00 15.45 O HETATM 2182 O HOH 75 9.831 -15.589 -12.569 1.00 29.53 O HETATM 2183 O HOH 76 -5.362 4.332 12.103 1.00 35.46 O HETATM 2184 O HOH 77 2.142 -4.058 1.232 1.00 15.39 O HETATM 2185 O HOH 78 10.278 5.165 -15.888 1.00 24.62 O HETATM 2186 O HOH 79 33.877 -0.784 1.366 1.00 27.76 O HETATM 2187 O HOH 80 7.684 2.370 19.286 1.00 14.62 O HETATM 2188 O HOH 81 -10.585 -0.549 -6.815 1.00 36.98 O HETATM 2189 O HOH 82 11.615 3.002 8.330 1.00 8.48 O HETATM 2190 O HOH 83 17.962 -1.950 22.554 1.00 23.19 O HETATM 2191 O HOH 84 31.425 -4.463 1.610 1.00 23.39 O HETATM 2192 O HOH 85 14.152 15.606 8.156 1.00 39.63 O HETATM 2193 O HOH 86 19.420 0.807 12.724 1.00 8.47 O HETATM 2194 O HOH 87 19.730 8.652 19.052 1.00 15.31 O HETATM 2195 O HOH 88 16.133 -18.115 0.854 1.00 29.66 O HETATM 2196 O HOH 89 4.142 -12.334 -9.640 1.00 17.44 O HETATM 2197 O HOH 90 16.027 -3.178 16.323 1.00 11.40 O HETATM 2198 O HOH 91 -1.086 8.229 -3.103 1.00 20.16 O HETATM 2199 O HOH 92 18.598 -2.533 13.675 1.00 11.74 O HETATM 2200 O HOH 93 17.831 17.882 -4.090 1.00 35.80 O HETATM 2201 O HOH 94 21.326 -9.250 17.610 1.00 31.12 O HETATM 2202 O HOH 95 25.862 -11.091 5.205 1.00 36.18 O HETATM 2203 O HOH 96 12.747 7.795 -7.598 1.00 16.48 O HETATM 2204 O HOH 97 18.966 -14.553 -12.813 1.00 24.16 O HETATM 2205 O HOH 98 10.763 -9.572 15.622 1.00 23.30 O HETATM 2206 O HOH 99 14.097 14.858 1.093 1.00 27.74 O HETATM 2207 O HOH 100 31.558 -2.233 1.485 1.00 14.65 O HETATM 2208 O HOH 101 21.792 -13.849 -4.595 1.00 18.02 O HETATM 2209 O HOH 102 26.656 -5.381 16.871 1.00 15.69 O HETATM 2210 O HOH 103 36.399 2.129 6.228 1.00 57.58 O HETATM 2211 O HOH 104 -8.365 -2.963 3.128 1.00 27.45 O HETATM 2212 O HOH 105 31.891 14.047 10.512 1.00 25.29 O HETATM 2213 O HOH 106 26.387 12.589 -2.647 1.00 51.95 O HETATM 2214 O HOH 107 8.089 -5.107 -17.513 1.00 23.85 O HETATM 2215 O HOH 108 26.185 7.668 17.038 1.00 17.39 O HETATM 2216 O HOH 109 -3.784 -6.330 -0.896 1.00 16.55 O HETATM 2217 O HOH 110 18.456 -9.580 18.823 1.00 29.88 O HETATM 2218 O HOH 111 10.704 -10.723 -6.556 1.00 19.15 O HETATM 2219 O HOH 112 6.120 2.781 2.696 1.00 19.38 O HETATM 2220 O HOH 113 -1.461 -7.180 4.060 1.00 20.99 O HETATM 2221 O HOH 114 33.571 -4.926 11.761 1.00 24.71 O HETATM 2222 O HOH 115 36.221 4.790 2.287 1.00 29.70 O HETATM 2223 O HOH 116 -8.197 -5.560 -14.745 1.00 29.34 O HETATM 2224 O HOH 117 2.803 -9.668 11.083 1.00 82.25 O HETATM 2225 O HOH 118 8.422 5.010 -6.375 1.00 23.69 O HETATM 2226 O HOH 119 28.293 14.120 11.992 1.00 26.26 O HETATM 2227 O HOH 120 9.766 -18.549 -4.245 1.00 28.16 O HETATM 2228 O HOH 121 2.437 6.981 2.229 1.00 39.10 O HETATM 2229 O HOH 122 25.187 14.754 3.845 1.00 31.48 O HETATM 2230 O HOH 123 16.649 -4.890 14.326 1.00 10.59 O HETATM 2231 O HOH 124 13.405 -0.710 -17.192 1.00 33.10 O HETATM 2232 O HOH 125 -2.499 5.756 -3.323 1.00 26.37 O HETATM 2233 O HOH 126 4.814 0.633 -1.511 1.00 20.14 O HETATM 2234 O HOH 127 3.688 -8.041 13.191 1.00 25.36 O HETATM 2235 O HOH 128 3.779 -4.269 19.810 1.00 24.42 O HETATM 2236 O HOH 129 -5.466 7.561 13.862 1.00 21.56 O HETATM 2237 O HOH 130 29.479 3.169 -11.093 1.00 22.79 O HETATM 2238 O HOH 131 4.715 -10.955 -14.983 1.00 18.06 O HETATM 2239 O HOH 132 13.203 10.874 14.059 1.00 17.65 O HETATM 2240 O HOH 133 4.115 11.350 16.239 1.00 24.77 O HETATM 2241 O HOH 134 1.016 -8.627 -14.997 1.00 18.73 O HETATM 2242 O HOH 135 20.911 -3.344 -13.069 1.00 15.27 O HETATM 2243 O HOH 136 16.912 -6.205 -15.391 1.00 58.78 O HETATM 2244 O HOH 137 5.551 -18.454 3.179 1.00 17.30 O HETATM 2245 O HOH 138 -2.177 9.339 17.249 1.00 21.42 O HETATM 2246 O HOH 139 13.320 -14.775 -5.849 1.00 27.41 O HETATM 2247 O HOH 140 12.452 -13.606 5.883 1.00 28.68 O HETATM 2248 O HOH 141 24.478 -10.920 -1.083 1.00 18.13 O HETATM 2249 O HOH 142 8.997 9.040 17.546 1.00 31.29 O HETATM 2250 O HOH 143 29.463 -9.769 7.382 1.00 29.35 O HETATM 2251 O HOH 144 -7.283 4.727 -1.848 1.00 23.46 O HETATM 2252 O HOH 145 20.730 7.826 21.283 1.00 22.16 O HETATM 2253 O HOH 146 22.779 12.609 -4.696 1.00 31.67 O HETATM 2254 O HOH 147 25.413 4.428 23.167 1.00 30.19 O HETATM 2255 O HOH 148 -10.003 -5.213 -12.336 1.00 33.70 O HETATM 2256 O HOH 149 19.921 -6.065 -14.849 1.00 18.11 O HETATM 2257 O HOH 150 15.501 10.543 14.819 1.00 34.04 O HETATM 2258 O HOH 151 6.462 13.008 -0.321 1.00 28.27 O HETATM 2259 O HOH 152 19.465 10.458 -10.803 1.00 36.90 O HETATM 2260 O HOH 153 18.134 11.014 18.778 1.00 20.58 O HETATM 2261 O HOH 154 22.275 -11.534 7.856 1.00 38.59 O HETATM 2262 O HOH 155 -3.913 1.678 12.786 1.00 39.98 O HETATM 2263 O HOH 156 -1.241 -15.859 -3.199 1.00 22.39 O HETATM 2264 O HOH 157 5.769 -11.884 -7.335 1.00 17.99 O HETATM 2265 O HOH 158 1.929 -11.234 -14.556 1.00 16.94 O HETATM 2266 O HOH 159 15.817 -17.146 -1.581 1.00 28.43 O HETATM 2267 O HOH 160 -4.950 8.825 16.726 1.00 61.89 O HETATM 2268 O HOH 161 19.376 12.447 16.789 1.00 26.39 O HETATM 2269 O HOH 162 -7.122 9.843 13.174 1.00 22.54 O HETATM 2270 O HOH 163 10.849 -0.789 -15.896 1.00 24.43 O HETATM 2271 O HOH 164 -0.931 -5.324 -17.059 1.00 31.55 O HETATM 2272 O HOH 165 -1.494 3.854 -5.298 1.00 27.01 O HETATM 2273 O HOH 166 23.462 7.091 17.802 1.00 20.17 O HETATM 2274 O HOH 167 15.631 11.635 17.863 1.00 35.28 O HETATM 2275 O HOH 168 20.057 11.855 -3.797 1.00 26.49 O HETATM 2276 O HOH 169 30.045 -3.819 17.763 1.00 28.23 O HETATM 2277 O HOH 170 24.934 -0.097 -14.188 1.00 26.00 O HETATM 2278 O HOH 171 11.560 -16.230 -1.319 1.00 22.19 O HETATM 2279 O HOH 172 16.811 7.372 27.649 1.00 29.63 O HETATM 2280 O HOH 173 -1.454 -8.276 -16.197 1.00 27.40 O HETATM 2281 O HOH 174 27.184 -6.801 -13.543 1.00 32.86 O HETATM 2282 O HOH 175 20.098 -1.403 24.690 1.00 29.96 O HETATM 2283 O HOH 176 4.021 9.163 20.727 1.00 33.45 O HETATM 2284 O HOH 177 7.996 15.397 -0.841 1.00 37.03 O HETATM 2285 O HOH 178 23.231 7.211 20.475 1.00 22.55 O HETATM 2286 O HOH 179 10.614 9.614 13.839 1.00 14.81 O HETATM 2287 O HOH 180 26.589 17.076 -2.999 1.00 29.91 O HETATM 2288 O HOH 181 21.595 9.005 17.034 1.00 17.28 O HETATM 2289 O HOH 182 33.875 -7.462 10.934 1.00 33.16 O HETATM 2290 O HOH 183 14.244 18.757 3.594 1.00 33.14 O HETATM 2291 O HOH 184 12.374 13.438 14.770 1.00 30.96 O HETATM 2292 O HOH 185 26.055 10.513 17.085 1.00 32.21 O HETATM 2293 O HOH 186 12.584 16.017 3.244 1.00 31.76 O HETATM 2294 O HOH 187 22.750 -5.129 -16.532 1.00 21.89 O HETATM 2295 O HOH 188 0.949 -12.972 -16.469 1.00 30.05 O HETATM 2296 O HOH 189 -1.770 -12.464 -17.148 1.00 29.82 O HETATM 2297 O HOH 190 23.250 11.190 17.639 1.00 29.80 O HETATM 2298 C2 QJS A 191 10.406 13.080 0.772 1.00 0.12 C HETATM 2299 C3 QJS A 191 10.235 12.351 1.956 1.00 -0.04 C HETATM 2300 C5 QJS A 191 9.648 11.087 1.823 1.00 0.01 C HETATM 2301 C6 QJS A 191 9.306 10.568 0.580 1.00 0.06 C HETATM 2302 N7 QJS A 191 8.793 9.292 0.717 1.00 -0.29 N HETATM 2303 C9 QJS A 191 8.739 8.965 2.010 1.00 0.10 C HETATM 2304 C10 QJS A 191 9.307 9.952 2.751 1.00 0.08 C HETATM 2305 N11 QJS A 191 9.477 9.967 4.130 1.00 -0.25 N HETATM 2306 C13 QJS A 191 8.943 10.861 4.975 1.00 0.20 C HETATM 2307 C15 QJS A 191 9.157 10.837 6.431 1.00 0.07 C HETATM 2308 C17 QJS A 191 8.089 11.142 7.379 1.00 0.02 C HETATM 2309 C19 QJS A 191 9.039 12.273 7.064 1.00 -0.02 C HETATM 2310 H4 QJS A 191 8.709 13.127 6.455 1.00 0.03 H HETATM 2311 H5 QJS A 191 9.768 12.616 7.813 1.00 0.03 H HETATM 2312 C22 QJS A 191 8.130 10.239 8.646 1.00 -0.04 C HETATM 2313 C23 QJS A 191 6.981 9.483 8.808 1.00 -0.06 C HETATM 2314 C25 QJS A 191 6.857 8.648 9.932 1.00 -0.07 C HETATM 2315 C27 QJS A 191 7.976 8.509 10.802 1.00 -0.07 C HETATM 2316 C29 QJS A 191 9.110 9.293 10.610 1.00 -0.07 C HETATM 2317 C31 QJS A 191 9.171 10.151 9.509 1.00 -0.06 C HETATM 2318 H12 QJS A 191 10.058 10.751 9.344 1.00 0.06 H HETATM 2319 H9 QJS A 191 9.938 9.238 11.308 1.00 0.06 H HETATM 2320 H8 QJS A 191 7.944 7.792 11.614 1.00 0.06 H HETATM 2321 H7 QJS A 191 5.931 8.122 10.132 1.00 0.06 H HETATM 2322 H6 QJS A 191 6.184 9.535 8.075 1.00 0.06 H HETATM 2323 H3 QJS A 191 7.046 11.253 7.047 1.00 0.05 H HETATM 2324 H2 QJS A 191 9.945 10.120 6.706 1.00 0.06 H HETATM 2325 O14 QJS A 191 8.179 11.739 4.441 1.00 -0.39 O HETATM 2326 H11 QJS A 191 10.048 9.248 4.527 1.00 0.22 H HETATM 2327 C33 QJS A 191 8.263 7.699 2.501 1.00 0.06 C HETATM 2328 O34 QJS A 191 8.529 7.233 3.564 1.00 -0.57 O HETATM 2329 O35 QJS A 191 7.507 7.029 1.657 1.00 -0.57 O HETATM 2330 H10 QJS A 191 8.497 8.685 -0.061 1.00 0.21 H HETATM 2331 C37 QJS A 191 9.506 11.272 -0.618 1.00 -0.04 C HETATM 2332 C39 QJS A 191 10.036 12.552 -0.487 1.00 -0.04 C HETATM 2333 H14 QJS A 191 10.169 13.161 -1.374 1.00 0.05 H HETATM 2334 H13 QJS A 191 9.263 10.845 -1.584 1.00 0.05 H HETATM 2335 H1 QJS A 191 10.540 12.743 2.920 1.00 0.05 H HETATM 2336 F1 QJS A 191 10.938 14.334 0.842 1.00 -0.19 F CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 1116 1115 1738 CONECT 1403 1402 1569 CONECT 1569 1403 1568 CONECT 1662 1661 1858 CONECT 1738 1116 1737 CONECT 1858 1662 1857 CONECT 2298 2299 2332 2336 CONECT 2299 2298 2300 2335 CONECT 2300 2299 2301 2304 CONECT 2301 2300 2302 2331 CONECT 2302 2301 2303 2330 CONECT 2303 2302 2304 2327 CONECT 2304 2300 2303 2305 CONECT 2305 2304 2306 2326 CONECT 2306 2305 2307 2325 CONECT 2307 2306 2308 2309 2324 CONECT 2308 2307 2309 2312 2323 CONECT 2309 2307 2308 2310 2311 CONECT 2310 2309 CONECT 2311 2309 CONECT 2312 2308 2313 2317 CONECT 2313 2312 2314 2322 CONECT 2314 2313 2315 2321 CONECT 2315 2314 2316 2320 CONECT 2316 2315 2317 2319 CONECT 2317 2312 2316 2318 CONECT 2318 2317 CONECT 2319 2316 CONECT 2320 2315 CONECT 2321 2314 CONECT 2322 2313 CONECT 2323 2308 CONECT 2324 2307 CONECT 2325 2306 CONECT 2326 2305 CONECT 2327 2303 2328 2329 CONECT 2328 2327 CONECT 2329 2327 CONECT 2330 2302 CONECT 2331 2301 2332 2334 CONECT 2332 2298 2331 2333 CONECT 2333 2332 CONECT 2334 2331 CONECT 2335 2299 CONECT 2336 2298 MASTER 0 0 0 0 0 0 0 0 2335 1 51 18 END
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Structure:
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Related entries of code: 5mt0
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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230aa, >5NB7_1|Chain... at 100%
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
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232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
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6fuj
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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%
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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
5mt0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
QJS
EC.Number
E.C.3.4.21.46
Resolution
1.29(Å)
Affinity (Kd/Ki/IC50)
Kd~500uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 1946-1958
Ligand Properties
Formula
C
1
9
H
1
5
FN
2
O
3
Molecular Weight
338.332
Exact Mass
338.107
No. of atoms
40
No. of bonds
43
Polar Surface Area
82.19
LOGP Value
4.37 (
Computed with XLOGP3
)
3.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
O=C([C@H]1C[C@@H]1c1ccccc1)Nc1c([nH]c2c1cc(F)cc2)C(=O)O
InChI String
InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)/t12-,13+/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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