Browse entries in the PDBbind-CN Database
HEADER 4NP2_COMPLEX COMPND 4NP2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 ASN GLN ILE ASP LEU ASN VAL THR CYS ARG TYR ALA GLY SEQRES 2 A 150 VAL PHE HIS VAL GLU LYS ASN GLY ARG TYR SER ILE SER SEQRES 3 A 150 ARG THR GLU ALA ALA ASP LEU CYS GLN ALA PHE ASN SER SEQRES 4 A 150 THR LEU PRO THR MET ASP GLN MET LYS LEU ALA LEU SER SEQRES 5 A 150 LYS GLY PHE GLU THR CYS ARG TYR GLY PHE ILE GLU GLY SEQRES 6 A 150 ASN VAL VAL ILE PRO ARG ILE HIS PRO ASN ALA ILE CYS SEQRES 7 A 150 ALA ALA ASN HIS THR GLY VAL TYR ILE LEU VAL THR SER SEQRES 8 A 150 ASN THR SER HIS TYR ASP THR TYR CYS PHE ASN ALA SER SEQRES 9 A 150 ALA PRO PRO GLU GLU ASP CYS THR SER VAL THR ASP LEU SEQRES 10 A 150 PRO ASN SER PHE ASP GLY PRO VAL THR ILE THR ILE VAL SEQRES 11 A 150 ASN ARG ASP GLY THR ARG TYR SER LYS LYS GLY GLU TYR SEQRES 12 A 150 ARG THR HIS GLN GLU ASP ILE HET UNN A 213 35 SSBOND 1 CYS A 81 CYS A 101 SSBOND 2 CYS A 57 CYS A 123 SSBOND 3 CYS A 32 CYS A 134 ATOM 1 N ASN A 24 18.038 14.641 4.113 1.00 27.14 N ATOM 2 CA ASN A 24 16.588 14.635 4.469 1.00 27.17 C ATOM 3 C ASN A 24 15.814 13.762 3.479 1.00 26.06 C ATOM 4 O ASN A 24 15.264 14.270 2.492 1.00 25.26 O ATOM 5 CB ASN A 24 16.038 16.068 4.454 1.00 27.96 C ATOM 6 CG ASN A 24 14.725 16.193 5.186 1.00 29.60 C ATOM 7 OD1 ASN A 24 14.133 15.188 5.601 1.00 35.50 O ATOM 8 ND2 ASN A 24 14.258 17.422 5.360 1.00 28.60 N ATOM 9 HD22 ASN A 24 14.790 18.237 4.994 1.00 0.00 H ATOM 10 HD21 ASN A 24 13.360 17.571 5.863 1.00 0.00 H ATOM 11 HN3 ASN A 24 18.156 15.022 3.153 1.00 0.00 H ATOM 12 HN2 ASN A 24 18.407 13.669 4.150 1.00 0.00 H ATOM 13 HN1 ASN A 24 18.557 15.236 4.790 1.00 0.00 H ATOM 14 N GLN A 25 15.790 12.455 3.752 1.00 24.80 N ATOM 15 CA GLN A 25 15.441 11.436 2.755 1.00 24.45 C ATOM 16 C GLN A 25 14.612 10.297 3.328 1.00 22.95 C ATOM 17 O GLN A 25 14.913 9.802 4.422 1.00 22.90 O ATOM 18 CB GLN A 25 16.712 10.827 2.153 1.00 25.46 C ATOM 19 CG GLN A 25 17.044 11.297 0.766 1.00 30.25 C ATOM 20 CD GLN A 25 16.751 10.262 -0.330 1.00 35.77 C ATOM 21 OE1 GLN A 25 17.621 10.006 -1.175 1.00 38.48 O ATOM 22 NE2 GLN A 25 15.528 9.667 -0.333 1.00 36.29 N ATOM 23 HE22 GLN A 25 14.828 9.913 0.396 1.00 0.00 H ATOM 24 HE21 GLN A 25 15.292 8.966 -1.065 1.00 0.00 H ATOM 25 H GLN A 25 16.030 12.145 4.715 1.00 0.00 H ATOM 26 N ILE A 26 13.595 9.882 2.567 1.00 20.45 N ATOM 27 CA ILE A 26 12.703 8.769 2.920 1.00 19.24 C ATOM 28 C ILE A 26 12.592 7.823 1.725 1.00 17.60 C ATOM 29 O ILE A 26 12.321 8.256 0.611 1.00 17.80 O ATOM 30 CB ILE A 26 11.292 9.270 3.330 1.00 18.24 C ATOM 31 CG1 ILE A 26 11.388 10.146 4.593 1.00 19.82 C ATOM 32 CG2 ILE A 26 10.338 8.090 3.538 1.00 20.43 C ATOM 33 CD1 ILE A 26 10.041 10.664 5.118 1.00 20.87 C ATOM 34 H ILE A 26 13.424 10.378 1.669 1.00 0.00 H ATOM 35 N ASP A 27 12.851 6.544 1.957 1.00 16.36 N ATOM 36 CA ASP A 27 12.607 5.506 0.952 1.00 16.24 C ATOM 37 C ASP A 27 11.275 4.843 1.274 1.00 14.78 C ATOM 38 O ASP A 27 11.036 4.495 2.426 1.00 14.13 O ATOM 39 CB ASP A 27 13.667 4.403 1.009 1.00 17.05 C ATOM 40 CG ASP A 27 15.000 4.809 0.351 1.00 22.89 C ATOM 41 OD1 ASP A 27 15.115 5.937 -0.164 1.00 28.97 O ATOM 42 OD2 ASP A 27 15.937 3.981 0.386 1.00 30.25 O ATOM 43 H ASP A 27 13.240 6.268 2.881 1.00 0.00 H ATOM 44 N LEU A 28 10.448 4.642 0.255 1.00 13.64 N ATOM 45 CA LEU A 28 9.200 3.906 0.413 1.00 12.71 C ATOM 46 C LEU A 28 9.266 2.675 -0.471 1.00 12.35 C ATOM 47 O LEU A 28 9.238 2.788 -1.696 1.00 12.18 O ATOM 48 CB LEU A 28 8.003 4.805 0.044 1.00 12.81 C ATOM 49 CG LEU A 28 7.882 6.076 0.875 1.00 12.42 C ATOM 50 CD1 LEU A 28 6.808 6.978 0.278 1.00 11.76 C ATOM 51 CD2 LEU A 28 7.575 5.786 2.374 1.00 10.66 C ATOM 52 H LEU A 28 10.697 5.020 -0.681 1.00 0.00 H ATOM 53 N ASN A 29 9.380 1.501 0.138 1.00 11.37 N ATOM 54 CA ASN A 29 9.417 0.230 -0.606 1.00 11.97 C ATOM 55 C ASN A 29 7.989 -0.212 -0.884 1.00 11.33 C ATOM 56 O ASN A 29 7.189 -0.317 0.048 1.00 11.73 O ATOM 57 CB ASN A 29 10.148 -0.873 0.188 1.00 11.67 C ATOM 58 CG ASN A 29 11.603 -0.553 0.442 1.00 14.06 C ATOM 59 OD1 ASN A 29 12.201 0.272 -0.231 1.00 15.19 O ATOM 60 ND2 ASN A 29 12.167 -1.184 1.453 1.00 16.77 N ATOM 61 HD22 ASN A 29 11.622 -1.880 2.001 1.00 0.00 H ATOM 62 HD21 ASN A 29 13.157 -0.986 1.703 1.00 0.00 H ATOM 63 H ASN A 29 9.445 1.478 1.176 1.00 0.00 H ATOM 64 N VAL A 30 7.654 -0.434 -2.139 1.00 10.78 N ATOM 65 CA VAL A 30 6.257 -0.764 -2.505 1.00 11.40 C ATOM 66 C VAL A 30 6.187 -2.078 -3.283 1.00 12.45 C ATOM 67 O VAL A 30 7.134 -2.436 -4.016 1.00 12.76 O ATOM 68 CB VAL A 30 5.625 0.345 -3.364 1.00 11.42 C ATOM 69 CG1 VAL A 30 5.685 1.705 -2.616 1.00 11.55 C ATOM 70 CG2 VAL A 30 6.403 0.499 -4.691 1.00 12.77 C ATOM 71 H VAL A 30 8.380 -0.377 -2.882 1.00 0.00 H ATOM 72 N THR A 31 5.057 -2.771 -3.136 1.00 11.56 N ATOM 73 CA THR A 31 4.812 -4.054 -3.781 1.00 10.96 C ATOM 74 C THR A 31 3.898 -3.938 -4.996 1.00 10.85 C ATOM 75 O THR A 31 3.385 -2.877 -5.306 1.00 10.72 O ATOM 76 CB THR A 31 4.151 -5.054 -2.804 1.00 10.80 C ATOM 77 OG1 THR A 31 2.810 -4.624 -2.488 1.00 9.36 O ATOM 78 CG2 THR A 31 4.982 -5.184 -1.529 1.00 11.46 C ATOM 79 HG1 THR A 31 2.275 -4.579 -3.320 1.00 0.00 H ATOM 80 H THR A 31 4.311 -2.375 -2.529 1.00 0.00 H ATOM 81 N CYS A 32 3.730 -5.064 -5.675 1.00 10.66 N ATOM 82 CA CYS A 32 2.651 -5.256 -6.668 1.00 11.50 C ATOM 83 C CYS A 32 1.341 -4.930 -5.997 1.00 11.35 C ATOM 84 O CYS A 32 1.236 -5.069 -4.764 1.00 11.22 O ATOM 85 CB CYS A 32 2.580 -6.738 -6.974 1.00 12.39 C ATOM 86 SG CYS A 32 4.033 -7.355 -7.839 1.00 19.83 S ATOM 87 H CYS A 32 4.388 -5.850 -5.501 1.00 0.00 H ATOM 88 N ARG A 33 0.344 -4.534 -6.799 1.00 10.52 N ATOM 89 CA ARG A 33 -1.010 -4.343 -6.326 1.00 9.92 C ATOM 90 C ARG A 33 -1.815 -5.591 -6.651 1.00 10.34 C ATOM 91 O ARG A 33 -1.635 -6.211 -7.709 1.00 10.87 O ATOM 92 CB ARG A 33 -1.660 -3.115 -6.977 1.00 10.31 C ATOM 93 CG ARG A 33 -1.314 -1.778 -6.313 1.00 9.00 C ATOM 94 CD ARG A 33 0.143 -1.336 -6.515 1.00 8.51 C ATOM 95 NE ARG A 33 0.393 -1.127 -7.940 1.00 9.05 N ATOM 96 CZ ARG A 33 1.519 -1.404 -8.582 1.00 12.30 C ATOM 97 NH1 ARG A 33 1.562 -1.162 -9.896 1.00 11.93 N ATOM 98 NH2 ARG A 33 2.575 -1.905 -7.944 1.00 9.75 N ATOM 99 HE ARG A 33 -0.384 -0.724 -8.502 1.00 0.00 H ATOM 100 HH12 ARG A 33 2.428 -1.366 -10.434 1.00 0.00 H ATOM 101 HH11 ARG A 33 0.729 -0.769 -10.380 1.00 0.00 H ATOM 102 HH22 ARG A 33 3.448 -2.115 -8.469 1.00 0.00 H ATOM 103 HH21 ARG A 33 2.527 -2.087 -6.921 1.00 0.00 H ATOM 104 H ARG A 33 0.552 -4.357 -7.803 1.00 0.00 H ATOM 105 N TYR A 34 -2.700 -5.965 -5.738 1.00 8.86 N ATOM 106 CA TYR A 34 -3.620 -7.078 -5.987 1.00 10.13 C ATOM 107 C TYR A 34 -5.003 -6.597 -5.655 1.00 9.02 C ATOM 108 O TYR A 34 -5.273 -6.248 -4.508 1.00 8.89 O ATOM 109 CB TYR A 34 -3.295 -8.234 -5.040 1.00 9.66 C ATOM 110 CG TYR A 34 -2.016 -8.899 -5.398 1.00 13.03 C ATOM 111 CD1 TYR A 34 -2.009 -10.056 -6.177 1.00 14.12 C ATOM 112 CD2 TYR A 34 -0.798 -8.349 -4.992 1.00 16.14 C ATOM 113 CE1 TYR A 34 -0.807 -10.671 -6.506 1.00 19.01 C ATOM 114 CE2 TYR A 34 0.399 -8.945 -5.330 1.00 20.94 C ATOM 115 CZ TYR A 34 0.387 -10.106 -6.079 1.00 21.38 C ATOM 116 OH TYR A 34 1.592 -10.694 -6.406 1.00 27.57 O ATOM 117 HH TYR A 34 1.425 -11.511 -6.940 1.00 0.00 H ATOM 118 H TYR A 34 -2.742 -5.460 -4.830 1.00 0.00 H ATOM 119 N ALA A 35 -5.889 -6.573 -6.643 1.00 9.23 N ATOM 120 CA ALA A 35 -7.179 -5.913 -6.468 1.00 8.92 C ATOM 121 C ALA A 35 -7.007 -4.531 -5.799 1.00 9.09 C ATOM 122 O ALA A 35 -7.781 -4.143 -4.916 1.00 10.08 O ATOM 123 CB ALA A 35 -8.143 -6.832 -5.666 1.00 8.10 C ATOM 124 H ALA A 35 -5.662 -7.029 -7.550 1.00 0.00 H ATOM 125 N GLY A 36 -5.961 -3.809 -6.203 1.00 8.97 N ATOM 126 CA GLY A 36 -5.761 -2.430 -5.728 1.00 8.37 C ATOM 127 C GLY A 36 -5.005 -2.324 -4.411 1.00 8.20 C ATOM 128 O GLY A 36 -4.621 -1.222 -4.007 1.00 10.01 O ATOM 129 H GLY A 36 -5.276 -4.227 -6.864 1.00 0.00 H ATOM 130 N VAL A 37 -4.814 -3.442 -3.727 1.00 8.47 N ATOM 131 CA VAL A 37 -4.134 -3.453 -2.421 1.00 8.02 C ATOM 132 C VAL A 37 -2.606 -3.665 -2.573 1.00 8.69 C ATOM 133 O VAL A 37 -2.166 -4.580 -3.260 1.00 8.92 O ATOM 134 CB VAL A 37 -4.717 -4.547 -1.483 1.00 9.01 C ATOM 135 CG1 VAL A 37 -4.013 -4.523 -0.096 1.00 8.69 C ATOM 136 CG2 VAL A 37 -6.220 -4.324 -1.281 1.00 8.41 C ATOM 137 H VAL A 37 -5.155 -4.340 -4.125 1.00 0.00 H ATOM 138 N PHE A 38 -1.805 -2.838 -1.902 1.00 9.12 N ATOM 139 CA PHE A 38 -0.345 -3.034 -1.892 1.00 9.13 C ATOM 140 C PHE A 38 0.228 -2.771 -0.529 1.00 9.37 C ATOM 141 O PHE A 38 -0.439 -2.221 0.352 1.00 9.08 O ATOM 142 CB PHE A 38 0.387 -2.173 -2.937 1.00 8.42 C ATOM 143 CG PHE A 38 0.142 -0.678 -2.812 1.00 10.52 C ATOM 144 CD1 PHE A 38 1.186 0.181 -2.466 1.00 11.06 C ATOM 145 CD2 PHE A 38 -1.110 -0.115 -3.110 1.00 10.05 C ATOM 146 CE1 PHE A 38 0.988 1.558 -2.395 1.00 9.44 C ATOM 147 CE2 PHE A 38 -1.320 1.263 -3.036 1.00 9.65 C ATOM 148 CZ PHE A 38 -0.264 2.105 -2.669 1.00 11.35 C ATOM 149 H PHE A 38 -2.217 -2.041 -1.377 1.00 0.00 H ATOM 150 N HIS A 39 1.477 -3.195 -0.368 1.00 9.48 N ATOM 151 CA HIS A 39 2.212 -3.040 0.905 1.00 9.82 C ATOM 152 C HIS A 39 3.269 -1.925 0.735 1.00 9.86 C ATOM 153 O HIS A 39 3.923 -1.833 -0.317 1.00 9.39 O ATOM 154 CB HIS A 39 2.831 -4.397 1.266 1.00 9.70 C ATOM 155 CG HIS A 39 3.835 -4.352 2.369 1.00 13.58 C ATOM 156 ND1 HIS A 39 5.175 -4.621 2.161 1.00 18.62 N ATOM 157 CD2 HIS A 39 3.702 -4.115 3.695 1.00 14.44 C ATOM 158 CE1 HIS A 39 5.825 -4.534 3.312 1.00 16.72 C ATOM 159 NE2 HIS A 39 4.955 -4.225 4.258 1.00 13.98 N ATOM 160 H HIS A 39 1.956 -3.654 -1.169 1.00 0.00 H ATOM 161 N VAL A 40 3.389 -1.060 1.744 1.00 9.27 N ATOM 162 CA VAL A 40 4.398 -0.005 1.754 1.00 10.32 C ATOM 163 C VAL A 40 5.175 -0.110 3.047 1.00 10.35 C ATOM 164 O VAL A 40 4.578 -0.158 4.127 1.00 9.93 O ATOM 165 CB VAL A 40 3.773 1.409 1.717 1.00 9.30 C ATOM 166 CG1 VAL A 40 4.902 2.486 1.542 1.00 11.93 C ATOM 167 CG2 VAL A 40 2.741 1.523 0.575 1.00 11.51 C ATOM 168 H VAL A 40 2.740 -1.140 2.553 1.00 0.00 H ATOM 169 N GLU A 41 6.504 -0.101 2.914 1.00 10.66 N ATOM 170 CA GLU A 41 7.450 -0.164 4.035 1.00 12.29 C ATOM 171 C GLU A 41 8.301 1.101 4.003 1.00 12.30 C ATOM 172 O GLU A 41 8.817 1.452 2.942 1.00 12.21 O ATOM 173 CB GLU A 41 8.305 -1.373 3.730 1.00 13.40 C ATOM 174 CG GLU A 41 9.484 -1.667 4.519 1.00 18.36 C ATOM 175 CD GLU A 41 9.999 -3.001 4.051 1.00 21.33 C ATOM 176 OE1 GLU A 41 9.543 -4.002 4.626 1.00 21.86 O ATOM 177 OE2 GLU A 41 10.770 -3.052 3.041 1.00 21.14 O ATOM 178 H GLU A 41 6.895 -0.046 1.952 1.00 0.00 H ATOM 179 N LYS A 42 8.491 1.765 5.140 1.00 12.15 N ATOM 180 CA LYS A 42 9.324 2.973 5.152 1.00 13.47 C ATOM 181 C LYS A 42 10.739 2.650 5.592 1.00 14.10 C ATOM 182 O LYS A 42 10.939 2.106 6.677 1.00 13.71 O ATOM 183 CB LYS A 42 8.711 4.026 6.063 1.00 13.18 C ATOM 184 CG LYS A 42 9.426 5.354 6.097 1.00 16.69 C ATOM 185 CD LYS A 42 8.846 6.150 7.221 1.00 19.60 C ATOM 186 CE LYS A 42 9.538 7.498 7.340 1.00 23.68 C ATOM 187 NZ LYS A 42 9.031 8.176 8.570 1.00 27.73 N ATOM 188 HZ1 LYS A 42 8.002 8.307 8.493 1.00 0.00 H ATOM 189 HZ2 LYS A 42 9.245 7.589 9.401 1.00 0.00 H ATOM 190 HZ3 LYS A 42 9.494 9.102 8.669 1.00 0.00 H ATOM 191 H LYS A 42 8.050 1.428 6.019 1.00 0.00 H ATOM 192 N ASN A 43 11.715 3.007 4.747 1.00 14.91 N ATOM 193 CA ASN A 43 13.136 2.755 5.004 1.00 16.35 C ATOM 194 C ASN A 43 13.482 1.285 5.299 1.00 16.66 C ATOM 195 O ASN A 43 14.491 1.011 5.949 1.00 18.01 O ATOM 196 CB ASN A 43 13.627 3.704 6.115 1.00 16.85 C ATOM 197 CG ASN A 43 13.570 5.169 5.689 1.00 18.68 C ATOM 198 OD1 ASN A 43 13.872 5.493 4.533 1.00 18.02 O ATOM 199 ND2 ASN A 43 13.163 6.055 6.609 1.00 16.84 N ATOM 200 HD22 ASN A 43 12.920 5.734 7.568 1.00 0.00 H ATOM 201 HD21 ASN A 43 13.090 7.063 6.364 1.00 0.00 H ATOM 202 H ASN A 43 11.451 3.488 3.863 1.00 0.00 H ATOM 203 N GLY A 44 12.647 0.359 4.828 1.00 16.09 N ATOM 204 CA GLY A 44 12.902 -1.068 4.964 1.00 16.02 C ATOM 205 C GLY A 44 12.851 -1.624 6.383 1.00 16.73 C ATOM 206 O GLY A 44 13.442 -2.673 6.649 1.00 16.25 O ATOM 207 H GLY A 44 11.780 0.668 4.345 1.00 0.00 H ATOM 208 N ARG A 45 12.159 -0.942 7.289 1.00 16.17 N ATOM 209 CA ARG A 45 12.008 -1.421 8.664 1.00 15.88 C ATOM 210 C ARG A 45 10.645 -0.974 9.208 1.00 14.68 C ATOM 211 O ARG A 45 10.062 -0.008 8.722 1.00 14.87 O ATOM 212 CB ARG A 45 13.163 -0.887 9.545 1.00 17.07 C ATOM 213 CG ARG A 45 13.275 0.642 9.591 1.00 20.22 C ATOM 214 CD ARG A 45 14.561 1.092 10.306 1.00 27.22 C ATOM 215 NE ARG A 45 14.579 2.548 10.522 1.00 31.50 N ATOM 216 CZ ARG A 45 15.322 3.428 9.842 1.00 34.25 C ATOM 217 NH1 ARG A 45 16.141 3.043 8.858 1.00 34.55 N ATOM 218 NH2 ARG A 45 15.244 4.720 10.143 1.00 36.51 N ATOM 219 HE ARG A 45 13.960 2.925 11.268 1.00 0.00 H ATOM 220 HH12 ARG A 45 16.707 3.750 8.346 1.00 0.00 H ATOM 221 HH11 ARG A 45 16.212 2.037 8.604 1.00 0.00 H ATOM 222 HH22 ARG A 45 15.818 5.411 9.620 1.00 0.00 H ATOM 223 HH21 ARG A 45 14.609 5.040 10.902 1.00 0.00 H ATOM 224 H ARG A 45 11.713 -0.044 7.014 1.00 0.00 H ATOM 225 N TYR A 46 10.142 -1.656 10.222 1.00 13.34 N ATOM 226 CA TYR A 46 8.884 -1.221 10.833 1.00 12.91 C ATOM 227 C TYR A 46 9.041 0.171 11.420 1.00 12.44 C ATOM 228 O TYR A 46 9.790 0.345 12.389 1.00 13.43 O ATOM 229 CB TYR A 46 8.477 -2.198 11.950 1.00 12.41 C ATOM 230 CG TYR A 46 8.036 -3.553 11.452 1.00 11.29 C ATOM 231 CD1 TYR A 46 6.998 -3.677 10.516 1.00 8.30 C ATOM 232 CD2 TYR A 46 8.626 -4.722 11.944 1.00 10.99 C ATOM 233 CE1 TYR A 46 6.588 -4.938 10.073 1.00 8.74 C ATOM 234 CE2 TYR A 46 8.200 -5.985 11.514 1.00 10.08 C ATOM 235 CZ TYR A 46 7.171 -6.071 10.569 1.00 9.21 C ATOM 236 OH TYR A 46 6.748 -7.319 10.154 1.00 9.73 O ATOM 237 HH TYR A 46 7.507 -7.803 9.742 1.00 0.00 H ATOM 238 H TYR A 46 10.636 -2.496 10.584 1.00 0.00 H ATOM 239 N SER A 47 8.353 1.166 10.879 1.00 12.21 N ATOM 240 CA SER A 47 8.610 2.535 11.305 1.00 11.98 C ATOM 241 C SER A 47 7.503 3.525 11.040 1.00 12.28 C ATOM 242 O SER A 47 7.717 4.757 11.140 1.00 11.97 O ATOM 243 CB SER A 47 9.893 3.057 10.670 1.00 13.24 C ATOM 244 OG SER A 47 9.819 2.984 9.255 1.00 14.02 O ATOM 245 HG SER A 47 10.661 3.327 8.864 1.00 0.00 H ATOM 246 H SER A 47 7.633 0.970 10.154 1.00 0.00 H ATOM 247 N ILE A 48 6.326 2.991 10.722 1.00 12.12 N ATOM 248 CA ILE A 48 5.151 3.797 10.429 1.00 11.96 C ATOM 249 C ILE A 48 4.099 3.711 11.543 1.00 11.68 C ATOM 250 O ILE A 48 3.631 2.628 11.890 1.00 10.91 O ATOM 251 CB ILE A 48 4.496 3.381 9.094 1.00 11.50 C ATOM 252 CG1 ILE A 48 5.528 3.365 7.931 1.00 10.59 C ATOM 253 CG2 ILE A 48 3.348 4.334 8.771 1.00 13.39 C ATOM 254 CD1 ILE A 48 5.018 2.651 6.573 1.00 10.29 C ATOM 255 H ILE A 48 6.243 1.955 10.681 1.00 0.00 H ATOM 256 N SER A 49 3.718 4.866 12.077 1.00 11.96 N ATOM 257 CA SER A 49 2.636 4.932 13.079 1.00 12.73 C ATOM 258 C SER A 49 1.270 4.891 12.381 1.00 13.19 C ATOM 259 O SER A 49 1.180 5.093 11.177 1.00 12.03 O ATOM 260 CB SER A 49 2.731 6.221 13.870 1.00 13.70 C ATOM 261 OG SER A 49 2.382 7.312 13.018 1.00 16.49 O ATOM 262 HG SER A 49 2.441 8.159 13.527 1.00 0.00 H ATOM 263 H SER A 49 4.193 5.743 11.783 1.00 0.00 H ATOM 264 N ARG A 50 0.203 4.691 13.143 1.00 13.21 N ATOM 265 CA ARG A 50 -1.124 4.595 12.525 1.00 13.52 C ATOM 266 C ARG A 50 -1.507 5.913 11.819 1.00 13.79 C ATOM 267 O ARG A 50 -2.082 5.894 10.721 1.00 14.00 O ATOM 268 CB ARG A 50 -2.165 4.181 13.562 1.00 14.41 C ATOM 269 CG ARG A 50 -3.595 4.109 13.031 1.00 17.85 C ATOM 270 CD ARG A 50 -3.782 3.078 11.919 1.00 23.75 C ATOM 271 NE ARG A 50 -5.186 2.958 11.507 1.00 28.88 N ATOM 272 CZ ARG A 50 -5.856 3.908 10.848 1.00 31.03 C ATOM 273 NH1 ARG A 50 -5.254 5.054 10.525 1.00 31.59 N ATOM 274 NH2 ARG A 50 -7.132 3.728 10.514 1.00 31.62 N ATOM 275 HE ARG A 50 -5.690 2.079 11.743 1.00 0.00 H ATOM 276 HH12 ARG A 50 -5.779 5.791 10.012 1.00 0.00 H ATOM 277 HH11 ARG A 50 -4.260 5.211 10.786 1.00 0.00 H ATOM 278 HH22 ARG A 50 -7.645 4.473 10.001 1.00 0.00 H ATOM 279 HH21 ARG A 50 -7.616 2.842 10.766 1.00 0.00 H ATOM 280 H ARG A 50 0.307 4.603 14.174 1.00 0.00 H ATOM 281 N THR A 51 -1.160 7.048 12.419 1.00 13.79 N ATOM 282 CA THR A 51 -1.432 8.338 11.767 1.00 14.66 C ATOM 283 C THR A 51 -0.603 8.566 10.508 1.00 14.17 C ATOM 284 O THR A 51 -1.112 9.087 9.517 1.00 13.66 O ATOM 285 CB THR A 51 -1.313 9.518 12.729 1.00 15.77 C ATOM 286 OG1 THR A 51 -0.025 9.507 13.352 1.00 18.22 O ATOM 287 CG2 THR A 51 -2.393 9.400 13.801 1.00 18.33 C ATOM 288 HG1 THR A 51 0.677 9.578 12.657 1.00 0.00 H ATOM 289 H THR A 51 -0.696 7.023 13.350 1.00 0.00 H ATOM 290 N GLU A 52 0.661 8.166 10.540 1.00 12.90 N ATOM 291 CA GLU A 52 1.519 8.273 9.373 1.00 13.65 C ATOM 292 C GLU A 52 1.038 7.367 8.241 1.00 13.25 C ATOM 293 O GLU A 52 1.167 7.714 7.074 1.00 12.84 O ATOM 294 CB GLU A 52 2.990 7.995 9.714 1.00 13.77 C ATOM 295 CG GLU A 52 3.934 8.152 8.482 1.00 16.12 C ATOM 296 CD GLU A 52 5.424 8.329 8.806 1.00 21.37 C ATOM 297 OE1 GLU A 52 5.802 8.523 9.980 1.00 26.83 O ATOM 298 OE2 GLU A 52 6.249 8.308 7.872 1.00 22.36 O ATOM 299 H GLU A 52 1.046 7.767 11.420 1.00 0.00 H ATOM 300 N ALA A 53 0.492 6.202 8.603 1.00 12.29 N ATOM 301 CA ALA A 53 -0.004 5.236 7.623 1.00 12.51 C ATOM 302 C ALA A 53 -1.152 5.841 6.809 1.00 11.98 C ATOM 303 O ALA A 53 -1.171 5.723 5.575 1.00 10.39 O ATOM 304 CB ALA A 53 -0.428 3.922 8.320 1.00 11.82 C ATOM 305 H ALA A 53 0.417 5.975 9.615 1.00 0.00 H ATOM 306 N ALA A 54 -2.080 6.516 7.494 1.00 12.24 N ATOM 307 CA ALA A 54 -3.199 7.209 6.844 1.00 12.92 C ATOM 308 C ALA A 54 -2.673 8.275 5.863 1.00 13.60 C ATOM 309 O ALA A 54 -3.133 8.347 4.709 1.00 14.06 O ATOM 310 CB ALA A 54 -4.113 7.834 7.886 1.00 13.21 C ATOM 311 H ALA A 54 -2.006 6.552 8.531 1.00 0.00 H ATOM 312 N ASP A 55 -1.694 9.070 6.319 1.00 14.03 N ATOM 313 CA ASP A 55 -1.096 10.143 5.494 1.00 13.80 C ATOM 314 C ASP A 55 -0.368 9.564 4.293 1.00 13.18 C ATOM 315 O ASP A 55 -0.455 10.094 3.171 1.00 11.65 O ATOM 316 CB ASP A 55 -0.134 10.988 6.315 1.00 14.50 C ATOM 317 CG ASP A 55 -0.845 11.900 7.302 1.00 18.89 C ATOM 318 OD1 ASP A 55 -2.083 12.038 7.206 1.00 21.35 O ATOM 319 OD2 ASP A 55 -0.153 12.477 8.172 1.00 21.58 O ATOM 320 H ASP A 55 -1.342 8.927 7.287 1.00 0.00 H ATOM 321 N LEU A 56 0.339 8.460 4.520 1.00 12.83 N ATOM 322 CA LEU A 56 1.042 7.800 3.438 1.00 12.84 C ATOM 323 C LEU A 56 0.090 7.282 2.364 1.00 12.49 C ATOM 324 O LEU A 56 0.314 7.537 1.181 1.00 11.98 O ATOM 325 CB LEU A 56 1.898 6.657 3.999 1.00 12.74 C ATOM 326 CG LEU A 56 2.923 6.048 3.042 1.00 16.23 C ATOM 327 CD1 LEU A 56 3.734 7.181 2.382 1.00 18.55 C ATOM 328 CD2 LEU A 56 3.843 5.087 3.819 1.00 18.29 C ATOM 329 H LEU A 56 0.388 8.067 5.482 1.00 0.00 H ATOM 330 N CYS A 57 -0.975 6.562 2.760 1.00 11.93 N ATOM 331 CA CYS A 57 -1.927 6.100 1.750 1.00 12.65 C ATOM 332 C CYS A 57 -2.534 7.283 1.009 1.00 12.57 C ATOM 333 O CYS A 57 -2.697 7.210 -0.210 1.00 12.61 O ATOM 334 CB CYS A 57 -3.027 5.190 2.304 1.00 13.63 C ATOM 335 SG CYS A 57 -2.361 3.653 2.996 1.00 15.29 S ATOM 336 H CYS A 57 -1.119 6.338 3.765 1.00 0.00 H ATOM 337 N GLN A 58 -2.855 8.357 1.726 1.00 12.65 N ATOM 338 CA GLN A 58 -3.401 9.552 1.060 1.00 13.28 C ATOM 339 C GLN A 58 -2.469 10.114 -0.024 1.00 13.05 C ATOM 340 O GLN A 58 -2.917 10.499 -1.116 1.00 12.25 O ATOM 341 CB GLN A 58 -3.755 10.646 2.059 1.00 13.64 C ATOM 342 CG GLN A 58 -4.233 11.910 1.370 1.00 16.57 C ATOM 343 CD GLN A 58 -4.930 12.830 2.320 1.00 18.84 C ATOM 344 OE1 GLN A 58 -6.125 13.074 2.183 1.00 20.68 O ATOM 345 NE2 GLN A 58 -4.192 13.348 3.299 1.00 19.08 N ATOM 346 HE22 GLN A 58 -3.182 13.109 3.371 1.00 0.00 H ATOM 347 HE21 GLN A 58 -4.625 13.992 3.992 1.00 0.00 H ATOM 348 H GLN A 58 -2.720 8.353 2.757 1.00 0.00 H ATOM 349 N ALA A 59 -1.173 10.138 0.277 1.00 12.72 N ATOM 350 CA ALA A 59 -0.154 10.544 -0.696 1.00 12.80 C ATOM 351 C ALA A 59 -0.123 9.708 -1.977 1.00 12.48 C ATOM 352 O ALA A 59 0.272 10.207 -3.035 1.00 12.97 O ATOM 353 CB ALA A 59 1.241 10.494 -0.036 1.00 12.78 C ATOM 354 H ALA A 59 -0.873 9.860 1.233 1.00 0.00 H ATOM 355 N PHE A 60 -0.490 8.430 -1.862 1.00 12.21 N ATOM 356 CA PHE A 60 -0.693 7.571 -3.007 1.00 12.91 C ATOM 357 C PHE A 60 -2.115 7.602 -3.611 1.00 13.12 C ATOM 358 O PHE A 60 -2.484 6.683 -4.345 1.00 14.08 O ATOM 359 CB PHE A 60 -0.418 6.115 -2.594 1.00 12.12 C ATOM 360 CG PHE A 60 1.034 5.777 -2.478 1.00 11.21 C ATOM 361 CD1 PHE A 60 1.834 5.682 -3.616 1.00 12.28 C ATOM 362 CD2 PHE A 60 1.600 5.546 -1.215 1.00 12.45 C ATOM 363 CE1 PHE A 60 3.182 5.344 -3.511 1.00 12.14 C ATOM 364 CE2 PHE A 60 2.960 5.230 -1.084 1.00 11.70 C ATOM 365 CZ PHE A 60 3.756 5.123 -2.236 1.00 12.73 C ATOM 366 H PHE A 60 -0.636 8.036 -0.911 1.00 0.00 H ATOM 367 N ASN A 61 -2.901 8.629 -3.283 1.00 13.79 N ATOM 368 CA ASN A 61 -4.330 8.683 -3.630 1.00 14.10 C ATOM 369 C ASN A 61 -5.041 7.371 -3.297 1.00 14.36 C ATOM 370 O ASN A 61 -5.867 6.866 -4.075 1.00 14.70 O ATOM 371 CB ASN A 61 -4.527 9.068 -5.106 1.00 14.53 C ATOM 372 CG ASN A 61 -4.432 10.561 -5.321 1.00 14.61 C ATOM 373 OD1 ASN A 61 -4.814 11.341 -4.449 1.00 17.99 O ATOM 374 ND2 ASN A 61 -3.903 10.971 -6.469 1.00 17.05 N ATOM 375 HD22 ASN A 61 -3.594 10.275 -7.177 1.00 0.00 H ATOM 376 HD21 ASN A 61 -3.798 11.988 -6.659 1.00 0.00 H ATOM 377 H ASN A 61 -2.486 9.426 -2.759 1.00 0.00 H ATOM 378 N SER A 62 -4.703 6.834 -2.126 1.00 14.09 N ATOM 379 CA SER A 62 -5.193 5.530 -1.670 1.00 13.30 C ATOM 380 C SER A 62 -5.740 5.681 -0.257 1.00 13.05 C ATOM 381 O SER A 62 -5.593 6.736 0.360 1.00 13.07 O ATOM 382 CB SER A 62 -4.027 4.524 -1.714 1.00 12.65 C ATOM 383 OG SER A 62 -3.591 4.356 -3.064 1.00 14.33 O ATOM 384 HG SER A 62 -3.288 5.228 -3.423 1.00 0.00 H ATOM 385 H SER A 62 -4.060 7.366 -1.505 1.00 0.00 H ATOM 386 N THR A 63 -6.386 4.637 0.260 1.00 12.36 N ATOM 387 CA THR A 63 -6.896 4.628 1.632 1.00 12.93 C ATOM 388 C THR A 63 -6.384 3.365 2.327 1.00 11.75 C ATOM 389 O THR A 63 -5.911 2.440 1.671 1.00 12.17 O ATOM 390 CB THR A 63 -8.431 4.617 1.646 1.00 13.23 C ATOM 391 OG1 THR A 63 -8.916 3.580 0.776 1.00 15.67 O ATOM 392 CG2 THR A 63 -8.995 5.963 1.163 1.00 16.40 C ATOM 393 HG1 THR A 63 -8.578 2.704 1.089 1.00 0.00 H ATOM 394 H THR A 63 -6.534 3.796 -0.334 1.00 0.00 H ATOM 395 N LEU A 64 -6.504 3.290 3.651 1.00 12.15 N ATOM 396 CA LEU A 64 -6.200 2.022 4.303 1.00 12.12 C ATOM 397 C LEU A 64 -7.262 1.022 3.918 1.00 11.34 C ATOM 398 O LEU A 64 -8.448 1.356 3.976 1.00 10.70 O ATOM 399 CB LEU A 64 -6.199 2.196 5.818 1.00 12.89 C ATOM 400 CG LEU A 64 -5.026 2.923 6.473 1.00 15.90 C ATOM 401 CD1 LEU A 64 -3.754 2.088 6.376 1.00 18.76 C ATOM 402 CD2 LEU A 64 -4.796 4.283 5.966 1.00 22.25 C ATOM 403 H LEU A 64 -6.807 4.116 4.206 1.00 0.00 H ATOM 404 N PRO A 65 -6.862 -0.220 3.561 1.00 10.87 N ATOM 405 CA PRO A 65 -7.897 -1.151 3.117 1.00 10.74 C ATOM 406 C PRO A 65 -8.838 -1.632 4.216 1.00 10.25 C ATOM 407 O PRO A 65 -8.481 -1.682 5.405 1.00 10.24 O ATOM 408 CB PRO A 65 -7.126 -2.363 2.555 1.00 11.64 C ATOM 409 CG PRO A 65 -5.639 -2.009 2.616 1.00 12.17 C ATOM 410 CD PRO A 65 -5.486 -0.737 3.409 1.00 11.17 C ATOM 411 N THR A 66 -10.057 -1.974 3.826 1.00 10.44 N ATOM 412 CA THR A 66 -10.946 -2.715 4.728 1.00 10.57 C ATOM 413 C THR A 66 -10.528 -4.183 4.743 1.00 10.39 C ATOM 414 O THR A 66 -9.763 -4.611 3.880 1.00 10.50 O ATOM 415 CB THR A 66 -12.412 -2.636 4.290 1.00 10.52 C ATOM 416 OG1 THR A 66 -12.558 -3.256 3.010 1.00 10.69 O ATOM 417 CG2 THR A 66 -12.860 -1.206 4.200 1.00 11.66 C ATOM 418 HG1 THR A 66 -13.505 -3.205 2.726 1.00 0.00 H ATOM 419 H THR A 66 -10.386 -1.715 2.874 1.00 0.00 H ATOM 420 N MET A 67 -11.012 -4.940 5.717 1.00 10.90 N ATOM 421 CA MET A 67 -10.730 -6.366 5.762 1.00 11.47 C ATOM 422 C MET A 67 -11.286 -7.059 4.520 1.00 11.67 C ATOM 423 O MET A 67 -10.624 -7.925 3.961 1.00 10.97 O ATOM 424 CB MET A 67 -11.289 -6.996 7.045 1.00 12.37 C ATOM 425 CG MET A 67 -11.088 -8.508 7.124 1.00 14.11 C ATOM 426 SD MET A 67 -9.341 -9.005 7.126 1.00 18.27 S ATOM 427 CE MET A 67 -8.921 -8.640 8.796 1.00 14.35 C ATOM 428 H MET A 67 -11.601 -4.509 6.458 1.00 0.00 H ATOM 429 N ASP A 68 -12.478 -6.664 4.078 1.00 11.44 N ATOM 430 CA ASP A 68 -13.028 -7.238 2.845 1.00 11.74 C ATOM 431 C ASP A 68 -12.164 -6.947 1.630 1.00 10.67 C ATOM 432 O ASP A 68 -11.961 -7.820 0.777 1.00 11.21 O ATOM 433 CB ASP A 68 -14.447 -6.732 2.573 1.00 12.42 C ATOM 434 CG ASP A 68 -15.157 -7.556 1.494 1.00 15.21 C ATOM 435 OD1 ASP A 68 -15.435 -8.766 1.740 1.00 21.04 O ATOM 436 OD2 ASP A 68 -15.431 -6.999 0.405 1.00 18.76 O ATOM 437 H ASP A 68 -13.019 -5.949 4.606 1.00 0.00 H ATOM 438 N GLN A 69 -11.663 -5.712 1.521 1.00 10.30 N ATOM 439 CA GLN A 69 -10.735 -5.413 0.421 1.00 8.78 C ATOM 440 C GLN A 69 -9.463 -6.260 0.481 1.00 8.82 C ATOM 441 O GLN A 69 -8.971 -6.737 -0.549 1.00 7.94 O ATOM 442 CB GLN A 69 -10.381 -3.923 0.419 1.00 9.27 C ATOM 443 CG GLN A 69 -11.533 -3.072 -0.081 1.00 8.09 C ATOM 444 CD GLN A 69 -11.337 -1.581 0.220 1.00 10.41 C ATOM 445 OE1 GLN A 69 -10.590 -1.190 1.141 1.00 10.73 O ATOM 446 NE2 GLN A 69 -12.046 -0.734 -0.532 1.00 12.72 N ATOM 447 HE22 GLN A 69 -12.657 -1.099 -1.290 1.00 0.00 H ATOM 448 HE21 GLN A 69 -11.986 0.290 -0.359 1.00 0.00 H ATOM 449 H GLN A 69 -11.926 -4.974 2.205 1.00 0.00 H ATOM 450 N MET A 70 -8.931 -6.461 1.688 1.00 8.55 N ATOM 451 CA MET A 70 -7.734 -7.271 1.880 1.00 9.14 C ATOM 452 C MET A 70 -7.987 -8.737 1.536 1.00 9.00 C ATOM 453 O MET A 70 -7.141 -9.411 0.937 1.00 7.38 O ATOM 454 CB MET A 70 -7.225 -7.148 3.346 1.00 9.10 C ATOM 455 CG MET A 70 -5.988 -7.998 3.662 1.00 12.16 C ATOM 456 SD MET A 70 -4.562 -7.649 2.597 1.00 15.86 S ATOM 457 CE MET A 70 -3.869 -6.236 3.395 1.00 13.84 C ATOM 458 H MET A 70 -9.384 -6.027 2.517 1.00 0.00 H ATOM 459 N LYS A 71 -9.163 -9.231 1.907 1.00 9.30 N ATOM 460 CA LYS A 71 -9.482 -10.640 1.617 1.00 9.02 C ATOM 461 C LYS A 71 -9.570 -10.879 0.101 1.00 8.91 C ATOM 462 O LYS A 71 -9.162 -11.924 -0.400 1.00 9.36 O ATOM 463 CB LYS A 71 -10.757 -11.058 2.341 1.00 9.37 C ATOM 464 CG LYS A 71 -10.522 -11.413 3.824 1.00 12.11 C ATOM 465 CD LYS A 71 -11.831 -11.680 4.572 1.00 17.23 C ATOM 466 CE LYS A 71 -11.529 -12.043 6.059 1.00 18.90 C ATOM 467 NZ LYS A 71 -12.783 -12.226 6.849 1.00 19.93 N ATOM 468 HZ1 LYS A 71 -13.334 -11.344 6.832 1.00 0.00 H ATOM 469 HZ2 LYS A 71 -13.345 -12.995 6.432 1.00 0.00 H ATOM 470 HZ3 LYS A 71 -12.540 -12.466 7.831 1.00 0.00 H ATOM 471 H LYS A 71 -9.853 -8.628 2.398 1.00 0.00 H ATOM 472 N LEU A 72 -10.096 -9.914 -0.645 1.00 9.39 N ATOM 473 CA LEU A 72 -10.154 -10.056 -2.106 1.00 9.42 C ATOM 474 C LEU A 72 -8.732 -10.023 -2.698 1.00 9.49 C ATOM 475 O LEU A 72 -8.393 -10.822 -3.581 1.00 10.36 O ATOM 476 CB LEU A 72 -11.039 -8.961 -2.748 1.00 10.23 C ATOM 477 CG LEU A 72 -11.271 -9.227 -4.255 1.00 13.27 C ATOM 478 CD1 LEU A 72 -12.097 -10.512 -4.437 1.00 15.66 C ATOM 479 CD2 LEU A 72 -12.035 -8.072 -4.892 1.00 14.74 C ATOM 480 H LEU A 72 -10.468 -9.055 -0.193 1.00 0.00 H ATOM 481 N ALA A 73 -7.891 -9.134 -2.185 1.00 9.16 N ATOM 482 CA ALA A 73 -6.476 -9.086 -2.615 1.00 9.25 C ATOM 483 C ALA A 73 -5.785 -10.429 -2.376 1.00 9.42 C ATOM 484 O ALA A 73 -5.089 -10.940 -3.268 1.00 8.12 O ATOM 485 CB ALA A 73 -5.755 -7.979 -1.909 1.00 8.88 C ATOM 486 H ALA A 73 -8.232 -8.460 -1.470 1.00 0.00 H ATOM 487 N LEU A 74 -5.998 -11.000 -1.176 1.00 10.78 N ATOM 488 CA LEU A 74 -5.436 -12.324 -0.844 1.00 12.30 C ATOM 489 C LEU A 74 -5.868 -13.379 -1.872 1.00 12.70 C ATOM 490 O LEU A 74 -5.061 -14.194 -2.353 1.00 12.52 O ATOM 491 CB LEU A 74 -5.832 -12.733 0.576 1.00 13.75 C ATOM 492 CG LEU A 74 -5.449 -14.162 1.001 1.00 17.75 C ATOM 493 CD1 LEU A 74 -4.043 -14.147 1.428 1.00 20.74 C ATOM 494 CD2 LEU A 74 -6.346 -14.576 2.150 1.00 22.88 C ATOM 495 H LEU A 74 -6.571 -10.498 -0.468 1.00 0.00 H ATOM 496 N SER A 75 -7.134 -13.314 -2.270 1.00 13.30 N ATOM 497 CA SER A 75 -7.682 -14.298 -3.191 1.00 14.40 C ATOM 498 C SER A 75 -7.069 -14.195 -4.588 1.00 14.81 C ATOM 499 O SER A 75 -7.101 -15.177 -5.336 1.00 15.68 O ATOM 500 CB SER A 75 -9.216 -14.200 -3.261 1.00 14.03 C ATOM 501 OG SER A 75 -9.611 -13.128 -4.092 1.00 16.74 O ATOM 502 HG SER A 75 -9.252 -12.280 -3.728 1.00 0.00 H ATOM 503 H SER A 75 -7.743 -12.548 -1.918 1.00 0.00 H ATOM 504 N LYS A 76 -6.548 -13.011 -4.926 1.00 13.96 N ATOM 505 CA LYS A 76 -5.903 -12.746 -6.224 1.00 14.74 C ATOM 506 C LYS A 76 -4.398 -12.999 -6.191 1.00 14.61 C ATOM 507 O LYS A 76 -3.712 -12.848 -7.212 1.00 15.22 O ATOM 508 CB LYS A 76 -6.130 -11.281 -6.640 1.00 15.09 C ATOM 509 CG LYS A 76 -7.583 -10.837 -6.690 1.00 17.34 C ATOM 510 CD LYS A 76 -8.436 -11.668 -7.611 1.00 20.94 C ATOM 511 CE LYS A 76 -9.770 -10.945 -7.899 1.00 21.42 C ATOM 512 NZ LYS A 76 -10.623 -11.824 -8.754 1.00 22.82 N ATOM 513 HZ1 LYS A 76 -10.129 -12.021 -9.648 1.00 0.00 H ATOM 514 HZ2 LYS A 76 -10.808 -12.717 -8.255 1.00 0.00 H ATOM 515 HZ3 LYS A 76 -11.524 -11.344 -8.952 1.00 0.00 H ATOM 516 H LYS A 76 -6.601 -12.235 -4.235 1.00 0.00 H ATOM 517 N GLY A 77 -3.874 -13.363 -5.018 1.00 13.08 N ATOM 518 CA GLY A 77 -2.469 -13.774 -4.930 1.00 13.28 C ATOM 519 C GLY A 77 -1.579 -12.946 -4.006 1.00 12.75 C ATOM 520 O GLY A 77 -0.356 -13.148 -3.977 1.00 12.90 O ATOM 521 H GLY A 77 -4.465 -13.355 -4.162 1.00 0.00 H ATOM 522 N PHE A 78 -2.179 -12.057 -3.210 1.00 11.43 N ATOM 523 CA PHE A 78 -1.384 -11.166 -2.366 1.00 10.94 C ATOM 524 C PHE A 78 -0.938 -11.876 -1.100 1.00 11.23 C ATOM 525 O PHE A 78 -1.788 -12.338 -0.326 1.00 11.65 O ATOM 526 CB PHE A 78 -2.213 -9.936 -1.984 1.00 10.71 C ATOM 527 CG PHE A 78 -1.429 -8.823 -1.284 1.00 9.15 C ATOM 528 CD1 PHE A 78 -0.147 -8.482 -1.688 1.00 10.71 C ATOM 529 CD2 PHE A 78 -2.024 -8.078 -0.256 1.00 9.76 C ATOM 530 CE1 PHE A 78 0.561 -7.422 -1.077 1.00 11.74 C ATOM 531 CE2 PHE A 78 -1.320 -7.026 0.374 1.00 10.53 C ATOM 532 CZ PHE A 78 -0.038 -6.676 -0.061 1.00 10.76 C ATOM 533 H PHE A 78 -3.217 -11.998 -3.190 1.00 0.00 H ATOM 534 N GLU A 79 0.376 -11.942 -0.860 1.00 11.09 N ATOM 535 CA GLU A 79 0.856 -12.285 0.469 1.00 11.71 C ATOM 536 C GLU A 79 2.158 -11.520 0.805 1.00 11.27 C ATOM 537 O GLU A 79 2.866 -11.090 -0.095 1.00 10.62 O ATOM 538 CB GLU A 79 0.987 -13.809 0.642 1.00 13.09 C ATOM 539 CG GLU A 79 2.152 -14.402 -0.107 1.00 14.45 C ATOM 540 CD GLU A 79 2.356 -15.913 0.153 1.00 18.50 C ATOM 541 OE1 GLU A 79 1.956 -16.487 1.207 1.00 14.31 O ATOM 542 OE2 GLU A 79 2.940 -16.534 -0.753 1.00 18.18 O ATOM 543 H GLU A 79 1.055 -11.748 -1.624 1.00 0.00 H ATOM 544 N THR A 80 2.423 -11.294 2.093 1.00 11.22 N ATOM 545 CA THR A 80 3.696 -10.666 2.511 1.00 11.31 C ATOM 546 C THR A 80 4.139 -11.421 3.749 1.00 11.97 C ATOM 547 O THR A 80 3.416 -12.310 4.227 1.00 11.15 O ATOM 548 CB THR A 80 3.545 -9.162 2.900 1.00 11.78 C ATOM 549 OG1 THR A 80 2.928 -9.087 4.179 1.00 11.35 O ATOM 550 CG2 THR A 80 2.723 -8.357 1.878 1.00 11.58 C ATOM 551 HG1 THR A 80 2.825 -8.137 4.439 1.00 0.00 H ATOM 552 H THR A 80 1.724 -11.563 2.814 1.00 0.00 H ATOM 553 N CYS A 81 5.309 -11.059 4.274 1.00 12.67 N ATOM 554 CA CYS A 81 5.774 -11.585 5.543 1.00 14.17 C ATOM 555 C CYS A 81 5.974 -10.440 6.538 1.00 14.11 C ATOM 556 O CYS A 81 6.829 -10.529 7.429 1.00 14.45 O ATOM 557 CB CYS A 81 7.074 -12.391 5.366 1.00 15.59 C ATOM 558 SG CYS A 81 7.467 -13.391 6.869 1.00 22.55 S ATOM 559 H CYS A 81 5.905 -10.380 3.759 1.00 0.00 H ATOM 560 N ARG A 82 5.189 -9.369 6.385 1.00 12.85 N ATOM 561 CA ARG A 82 5.311 -8.186 7.237 1.00 12.34 C ATOM 562 C ARG A 82 3.979 -7.682 7.814 1.00 10.96 C ATOM 563 O ARG A 82 2.974 -7.603 7.108 1.00 10.66 O ATOM 564 CB ARG A 82 5.910 -7.029 6.444 1.00 12.73 C ATOM 565 CG ARG A 82 7.230 -7.354 5.762 1.00 13.30 C ATOM 566 CD ARG A 82 8.392 -7.184 6.720 1.00 14.54 C ATOM 567 NE ARG A 82 8.562 -5.761 7.063 1.00 16.83 N ATOM 568 CZ ARG A 82 9.404 -5.313 7.990 1.00 18.95 C ATOM 569 NH1 ARG A 82 9.497 -3.992 8.239 1.00 20.14 N ATOM 570 NH2 ARG A 82 10.167 -6.178 8.629 1.00 18.28 N ATOM 571 HE ARG A 82 7.988 -5.063 6.548 1.00 0.00 H ATOM 572 HH12 ARG A 82 10.156 -3.645 8.964 1.00 0.00 H ATOM 573 HH11 ARG A 82 8.909 -3.320 7.706 1.00 0.00 H ATOM 574 HH22 ARG A 82 10.832 -5.847 9.357 1.00 0.00 H ATOM 575 HH21 ARG A 82 10.104 -7.192 8.405 1.00 0.00 H ATOM 576 H ARG A 82 4.468 -9.377 5.636 1.00 0.00 H ATOM 577 N TYR A 83 4.004 -7.309 9.087 1.00 10.59 N ATOM 578 CA TYR A 83 2.847 -6.672 9.727 1.00 11.42 C ATOM 579 C TYR A 83 2.584 -5.300 9.111 1.00 11.47 C ATOM 580 O TYR A 83 3.516 -4.505 8.954 1.00 11.56 O ATOM 581 CB TYR A 83 3.138 -6.456 11.211 1.00 10.89 C ATOM 582 CG TYR A 83 3.181 -7.731 12.008 1.00 13.30 C ATOM 583 CD1 TYR A 83 2.035 -8.496 12.185 1.00 15.92 C ATOM 584 CD2 TYR A 83 4.372 -8.151 12.618 1.00 16.96 C ATOM 585 CE1 TYR A 83 2.065 -9.699 12.945 1.00 19.28 C ATOM 586 CE2 TYR A 83 4.417 -9.337 13.366 1.00 19.77 C ATOM 587 CZ TYR A 83 3.257 -10.094 13.520 1.00 21.37 C ATOM 588 OH TYR A 83 3.305 -11.269 14.253 1.00 27.27 O ATOM 589 HH TYR A 83 2.407 -11.684 14.268 1.00 0.00 H ATOM 590 H TYR A 83 4.866 -7.472 9.646 1.00 0.00 H ATOM 591 N GLY A 84 1.338 -5.007 8.765 1.00 10.80 N ATOM 592 CA GLY A 84 1.003 -3.674 8.273 1.00 9.73 C ATOM 593 C GLY A 84 -0.400 -3.277 8.677 1.00 9.30 C ATOM 594 O GLY A 84 -1.259 -4.147 8.848 1.00 9.27 O ATOM 595 H GLY A 84 0.595 -5.731 8.845 1.00 0.00 H ATOM 596 N PHE A 85 -0.642 -1.974 8.791 1.00 8.43 N ATOM 597 CA PHE A 85 -1.973 -1.464 9.135 1.00 9.46 C ATOM 598 C PHE A 85 -2.950 -1.663 7.982 1.00 10.02 C ATOM 599 O PHE A 85 -2.600 -1.484 6.824 1.00 10.33 O ATOM 600 CB PHE A 85 -1.902 0.043 9.382 1.00 9.47 C ATOM 601 CG PHE A 85 -1.125 0.423 10.606 1.00 10.21 C ATOM 602 CD1 PHE A 85 -1.644 0.193 11.855 1.00 11.72 C ATOM 603 CD2 PHE A 85 0.117 1.029 10.483 1.00 11.01 C ATOM 604 CE1 PHE A 85 -0.935 0.579 12.997 1.00 13.65 C ATOM 605 CE2 PHE A 85 0.835 1.402 11.610 1.00 11.87 C ATOM 606 CZ PHE A 85 0.304 1.189 12.860 1.00 11.09 C ATOM 607 H PHE A 85 0.133 -1.299 8.632 1.00 0.00 H ATOM 608 N ILE A 86 -4.162 -2.051 8.331 1.00 9.97 N ATOM 609 CA ILE A 86 -5.328 -1.856 7.461 1.00 11.25 C ATOM 610 C ILE A 86 -6.272 -0.983 8.308 1.00 12.01 C ATOM 611 O ILE A 86 -5.887 -0.528 9.381 1.00 11.81 O ATOM 612 CB ILE A 86 -6.015 -3.195 7.019 1.00 10.73 C ATOM 613 CG1 ILE A 86 -6.484 -4.035 8.215 1.00 11.24 C ATOM 614 CG2 ILE A 86 -5.069 -4.016 6.171 1.00 12.12 C ATOM 615 CD1 ILE A 86 -7.471 -5.194 7.823 1.00 11.30 C ATOM 616 H ILE A 86 -4.296 -2.511 9.254 1.00 0.00 H ATOM 617 N GLU A 87 -7.496 -0.762 7.853 1.00 13.06 N ATOM 618 CA GLU A 87 -8.452 0.007 8.646 1.00 16.63 C ATOM 619 C GLU A 87 -8.873 -0.896 9.813 1.00 17.34 C ATOM 620 O GLU A 87 -9.473 -1.969 9.612 1.00 20.91 O ATOM 621 CB GLU A 87 -9.659 0.430 7.794 1.00 17.22 C ATOM 622 CG GLU A 87 -10.663 1.349 8.501 1.00 22.82 C ATOM 623 CD GLU A 87 -10.100 2.736 8.874 1.00 29.14 C ATOM 624 OE1 GLU A 87 -9.454 3.415 8.024 1.00 30.63 O ATOM 625 OE2 GLU A 87 -10.341 3.177 10.028 1.00 33.45 O ATOM 626 H GLU A 87 -7.778 -1.138 6.925 1.00 0.00 H ATOM 627 N GLY A 88 -8.466 -0.497 11.002 1.00 17.22 N ATOM 628 CA GLY A 88 -8.868 -1.147 12.235 1.00 15.15 C ATOM 629 C GLY A 88 -7.939 -2.196 12.831 1.00 13.21 C ATOM 630 O GLY A 88 -8.025 -2.470 14.025 1.00 12.63 O ATOM 631 H GLY A 88 -7.827 0.322 11.058 1.00 0.00 H ATOM 632 N ASN A 89 -7.037 -2.788 12.029 1.00 11.12 N ATOM 633 CA ASN A 89 -6.198 -3.864 12.545 1.00 9.94 C ATOM 634 C ASN A 89 -4.811 -3.837 11.932 1.00 9.58 C ATOM 635 O ASN A 89 -4.552 -3.084 10.996 1.00 9.81 O ATOM 636 CB ASN A 89 -6.805 -5.265 12.279 1.00 9.44 C ATOM 637 CG ASN A 89 -8.010 -5.579 13.176 1.00 11.95 C ATOM 638 OD1 ASN A 89 -9.158 -5.500 12.732 1.00 14.82 O ATOM 639 ND2 ASN A 89 -7.755 -5.924 14.415 1.00 11.43 N ATOM 640 HD22 ASN A 89 -6.771 -5.978 14.748 1.00 0.00 H ATOM 641 HD21 ASN A 89 -8.537 -6.144 15.065 1.00 0.00 H ATOM 642 H ASN A 89 -6.937 -2.479 11.041 1.00 0.00 H ATOM 643 N VAL A 90 -3.921 -4.639 12.497 1.00 9.59 N ATOM 644 CA VAL A 90 -2.605 -4.870 11.919 1.00 9.30 C ATOM 645 C VAL A 90 -2.613 -6.334 11.473 1.00 9.82 C ATOM 646 O VAL A 90 -2.950 -7.230 12.257 1.00 9.71 O ATOM 647 CB VAL A 90 -1.477 -4.598 12.968 1.00 9.98 C ATOM 648 CG1 VAL A 90 -0.111 -4.926 12.422 1.00 10.20 C ATOM 649 CG2 VAL A 90 -1.538 -3.147 13.432 1.00 10.19 C ATOM 650 H VAL A 90 -4.171 -5.120 13.384 1.00 0.00 H ATOM 651 N VAL A 91 -2.245 -6.581 10.215 1.00 9.88 N ATOM 652 CA VAL A 91 -2.401 -7.925 9.624 1.00 9.62 C ATOM 653 C VAL A 91 -1.205 -8.365 8.782 1.00 9.82 C ATOM 654 O VAL A 91 -0.382 -7.546 8.401 1.00 10.96 O ATOM 655 CB VAL A 91 -3.663 -7.948 8.703 1.00 9.70 C ATOM 656 CG1 VAL A 91 -4.915 -7.477 9.498 1.00 10.18 C ATOM 657 CG2 VAL A 91 -3.438 -7.047 7.422 1.00 9.56 C ATOM 658 H VAL A 91 -1.841 -5.814 9.641 1.00 0.00 H ATOM 659 N ILE A 92 -1.142 -9.669 8.474 1.00 9.52 N ATOM 660 CA ILE A 92 -0.252 -10.175 7.438 1.00 10.11 C ATOM 661 C ILE A 92 -1.135 -11.069 6.531 1.00 10.47 C ATOM 662 O ILE A 92 -1.728 -12.034 7.017 1.00 11.30 O ATOM 663 CB ILE A 92 0.880 -11.057 8.027 1.00 9.97 C ATOM 664 CG1 ILE A 92 1.708 -10.257 9.046 1.00 11.29 C ATOM 665 CG2 ILE A 92 1.806 -11.510 6.904 1.00 11.13 C ATOM 666 CD1 ILE A 92 2.866 -11.031 9.681 1.00 13.11 C ATOM 667 H ILE A 92 -1.747 -10.339 8.991 1.00 0.00 H ATOM 668 N PRO A 93 -1.228 -10.754 5.226 1.00 10.51 N ATOM 669 CA PRO A 93 -1.919 -11.675 4.334 1.00 9.64 C ATOM 670 C PRO A 93 -1.009 -12.856 3.971 1.00 9.33 C ATOM 671 O PRO A 93 0.129 -12.643 3.532 1.00 9.13 O ATOM 672 CB PRO A 93 -2.200 -10.803 3.097 1.00 9.66 C ATOM 673 CG PRO A 93 -1.084 -9.854 3.057 1.00 10.38 C ATOM 674 CD PRO A 93 -0.696 -9.583 4.506 1.00 10.31 C ATOM 675 N ARG A 94 -1.499 -14.078 4.169 1.00 10.24 N ATOM 676 CA ARG A 94 -0.693 -15.289 3.905 1.00 11.68 C ATOM 677 C ARG A 94 -1.440 -16.269 2.997 1.00 11.95 C ATOM 678 O ARG A 94 -2.586 -16.640 3.276 1.00 11.92 O ATOM 679 CB ARG A 94 -0.351 -15.996 5.235 1.00 12.45 C ATOM 680 CG ARG A 94 0.570 -15.218 6.201 1.00 13.06 C ATOM 681 CD ARG A 94 1.897 -14.907 5.555 1.00 12.61 C ATOM 682 NE ARG A 94 2.538 -16.118 5.043 1.00 13.89 N ATOM 683 CZ ARG A 94 3.563 -16.133 4.193 1.00 16.01 C ATOM 684 NH1 ARG A 94 4.081 -15.001 3.726 1.00 14.15 N ATOM 685 NH2 ARG A 94 4.063 -17.308 3.787 1.00 17.90 N ATOM 686 HE ARG A 94 2.166 -17.034 5.366 1.00 0.00 H ATOM 687 HH12 ARG A 94 4.882 -15.030 3.063 1.00 0.00 H ATOM 688 HH11 ARG A 94 3.686 -14.086 4.024 1.00 0.00 H ATOM 689 HH22 ARG A 94 4.863 -17.331 3.123 1.00 0.00 H ATOM 690 HH21 ARG A 94 3.651 -18.197 4.136 1.00 0.00 H ATOM 691 H ARG A 94 -2.473 -14.183 4.518 1.00 0.00 H ATOM 692 N ILE A 95 -0.769 -16.691 1.927 1.00 11.76 N ATOM 693 CA ILE A 95 -1.288 -17.763 1.094 1.00 13.58 C ATOM 694 C ILE A 95 -0.657 -19.114 1.462 1.00 13.99 C ATOM 695 O ILE A 95 -1.382 -20.081 1.703 1.00 14.42 O ATOM 696 CB ILE A 95 -1.107 -17.441 -0.379 1.00 12.72 C ATOM 697 CG1 ILE A 95 -1.970 -16.214 -0.716 1.00 13.70 C ATOM 698 CG2 ILE A 95 -1.501 -18.655 -1.258 1.00 13.83 C ATOM 699 CD1 ILE A 95 -1.707 -15.636 -2.077 1.00 13.19 C ATOM 700 H ILE A 95 0.140 -16.247 1.684 1.00 0.00 H ATOM 701 N HIS A 96 0.674 -19.158 1.489 1.00 14.99 N ATOM 702 CA HIS A 96 1.427 -20.371 1.780 1.00 16.55 C ATOM 703 C HIS A 96 1.849 -20.379 3.244 1.00 17.71 C ATOM 704 O HIS A 96 2.371 -19.380 3.747 1.00 19.24 O ATOM 705 CB HIS A 96 2.658 -20.433 0.868 1.00 16.57 C ATOM 706 CG HIS A 96 2.320 -20.347 -0.583 1.00 19.36 C ATOM 707 ND1 HIS A 96 2.439 -19.181 -1.310 1.00 22.04 N ATOM 708 CD2 HIS A 96 1.805 -21.269 -1.433 1.00 23.01 C ATOM 709 CE1 HIS A 96 2.042 -19.395 -2.555 1.00 22.51 C ATOM 710 NE2 HIS A 96 1.640 -20.650 -2.652 1.00 21.94 N ATOM 711 H HIS A 96 1.202 -18.284 1.293 1.00 0.00 H ATOM 712 N PRO A 97 1.614 -21.498 3.942 1.00 18.59 N ATOM 713 CA PRO A 97 2.053 -21.533 5.326 1.00 19.49 C ATOM 714 C PRO A 97 3.592 -21.534 5.402 1.00 20.58 C ATOM 715 O PRO A 97 4.261 -22.260 4.653 1.00 21.34 O ATOM 716 CB PRO A 97 1.426 -22.825 5.880 1.00 20.01 C ATOM 717 CG PRO A 97 0.951 -23.592 4.729 1.00 19.14 C ATOM 718 CD PRO A 97 0.844 -22.698 3.545 1.00 18.03 C ATOM 719 N ASN A 98 4.139 -20.697 6.279 1.00 21.23 N ATOM 720 CA ASN A 98 5.584 -20.574 6.487 1.00 22.06 C ATOM 721 C ASN A 98 5.751 -20.352 7.972 1.00 22.17 C ATOM 722 O ASN A 98 5.094 -19.470 8.547 1.00 21.05 O ATOM 723 CB ASN A 98 6.140 -19.386 5.684 1.00 22.95 C ATOM 724 CG ASN A 98 7.661 -19.250 5.774 1.00 25.49 C ATOM 725 OD1 ASN A 98 8.238 -19.343 6.845 1.00 30.01 O ATOM 726 ND2 ASN A 98 8.305 -18.990 4.637 1.00 29.46 N ATOM 727 HD22 ASN A 98 7.776 -18.919 3.744 1.00 0.00 H ATOM 728 HD21 ASN A 98 9.337 -18.858 4.642 1.00 0.00 H ATOM 729 H ASN A 98 3.507 -20.098 6.848 1.00 0.00 H ATOM 730 N ALA A 99 6.615 -21.163 8.589 1.00 22.35 N ATOM 731 CA ALA A 99 6.856 -21.151 10.041 1.00 23.55 C ATOM 732 C ALA A 99 7.240 -19.780 10.612 1.00 23.59 C ATOM 733 O ALA A 99 6.882 -19.451 11.754 1.00 23.94 O ATOM 734 CB ALA A 99 7.946 -22.149 10.388 1.00 23.74 C ATOM 735 H ALA A 99 7.148 -21.842 8.010 1.00 0.00 H ATOM 736 N ILE A 100 7.970 -19.003 9.825 1.00 23.96 N ATOM 737 CA ILE A 100 8.507 -17.713 10.287 1.00 24.97 C ATOM 738 C ILE A 100 7.674 -16.489 9.837 1.00 24.28 C ATOM 739 O ILE A 100 8.089 -15.341 10.050 1.00 24.63 O ATOM 740 CB ILE A 100 10.025 -17.555 9.909 1.00 25.72 C ATOM 741 CG1 ILE A 100 10.191 -17.291 8.402 1.00 27.85 C ATOM 742 CG2 ILE A 100 10.796 -18.814 10.335 1.00 27.40 C ATOM 743 CD1 ILE A 100 11.520 -16.631 7.987 1.00 32.07 C ATOM 744 H ILE A 100 8.169 -19.314 8.853 1.00 0.00 H ATOM 745 N CYS A 101 6.511 -16.741 9.214 1.00 23.00 N ATOM 746 CA CYS A 101 5.598 -15.680 8.767 1.00 22.33 C ATOM 747 C CYS A 101 4.229 -15.916 9.356 1.00 21.95 C ATOM 748 O CYS A 101 3.527 -16.832 8.931 1.00 21.34 O ATOM 749 CB CYS A 101 5.466 -15.663 7.238 1.00 21.94 C ATOM 750 SG CYS A 101 7.002 -15.355 6.358 1.00 23.29 S ATOM 751 H CYS A 101 6.245 -17.731 9.040 1.00 0.00 H ATOM 752 N ALA A 102 3.854 -15.105 10.343 1.00 22.00 N ATOM 753 CA ALA A 102 2.541 -15.210 10.997 1.00 22.36 C ATOM 754 C ALA A 102 2.305 -16.607 11.571 1.00 23.07 C ATOM 755 O ALA A 102 1.169 -17.102 11.575 1.00 23.43 O ATOM 756 CB ALA A 102 1.413 -14.830 10.024 1.00 22.14 C ATOM 757 H ALA A 102 4.515 -14.369 10.664 1.00 0.00 H ATOM 758 N ALA A 103 3.403 -17.238 12.002 1.00 23.68 N ATOM 759 CA ALA A 103 3.398 -18.528 12.690 1.00 24.44 C ATOM 760 C ALA A 103 2.606 -19.614 11.940 1.00 23.87 C ATOM 761 O ALA A 103 1.698 -20.227 12.507 1.00 23.86 O ATOM 762 CB ALA A 103 2.866 -18.342 14.131 1.00 24.52 C ATOM 763 H ALA A 103 4.322 -16.780 11.837 1.00 0.00 H ATOM 764 N ASN A 104 2.955 -19.825 10.669 1.00 23.72 N ATOM 765 CA ASN A 104 2.343 -20.856 9.812 1.00 23.35 C ATOM 766 C ASN A 104 0.852 -20.701 9.475 1.00 22.61 C ATOM 767 O ASN A 104 0.272 -21.603 8.876 1.00 22.24 O ATOM 768 CB ASN A 104 2.592 -22.284 10.359 1.00 24.22 C ATOM 769 CG ASN A 104 3.469 -23.118 9.454 1.00 24.70 C ATOM 770 OD1 ASN A 104 3.770 -22.747 8.339 1.00 25.89 O ATOM 771 ND2 ASN A 104 3.901 -24.267 9.956 1.00 32.31 N ATOM 772 HD22 ASN A 104 3.622 -24.552 10.916 1.00 0.00 H ATOM 773 HD21 ASN A 104 4.519 -24.883 9.389 1.00 0.00 H ATOM 774 H ASN A 104 3.702 -19.228 10.260 1.00 0.00 H ATOM 775 N HIS A 105 0.232 -19.581 9.832 1.00 21.01 N ATOM 776 CA HIS A 105 -1.164 -19.370 9.454 1.00 19.52 C ATOM 777 C HIS A 105 -1.273 -19.003 7.986 1.00 18.52 C ATOM 778 O HIS A 105 -0.316 -18.501 7.391 1.00 17.54 O ATOM 779 CB HIS A 105 -1.803 -18.276 10.296 1.00 20.23 C ATOM 780 CG HIS A 105 -2.013 -18.661 11.728 1.00 22.42 C ATOM 781 ND1 HIS A 105 -1.207 -18.204 12.746 1.00 27.06 N ATOM 782 CD2 HIS A 105 -2.932 -19.467 12.311 1.00 25.60 C ATOM 783 CE1 HIS A 105 -1.614 -18.714 13.895 1.00 26.74 C ATOM 784 NE2 HIS A 105 -2.662 -19.481 13.660 1.00 27.10 N ATOM 785 H HIS A 105 0.739 -18.856 10.379 1.00 0.00 H ATOM 786 N THR A 106 -2.451 -19.259 7.425 1.00 17.43 N ATOM 787 CA THR A 106 -2.857 -18.763 6.105 1.00 17.09 C ATOM 788 C THR A 106 -4.128 -17.920 6.280 1.00 16.64 C ATOM 789 O THR A 106 -4.805 -17.963 7.337 1.00 15.80 O ATOM 790 CB THR A 106 -3.149 -19.936 5.122 1.00 17.48 C ATOM 791 OG1 THR A 106 -4.239 -20.697 5.634 1.00 18.31 O ATOM 792 CG2 THR A 106 -1.931 -20.876 5.002 1.00 18.11 C ATOM 793 HG1 THR A 106 -5.037 -20.116 5.713 1.00 0.00 H ATOM 794 H THR A 106 -3.126 -19.847 7.954 1.00 0.00 H ATOM 795 N GLY A 107 -4.475 -17.156 5.246 1.00 15.91 N ATOM 796 CA GLY A 107 -5.563 -16.204 5.335 1.00 14.90 C ATOM 797 C GLY A 107 -5.012 -14.864 5.771 1.00 14.66 C ATOM 798 O GLY A 107 -3.773 -14.655 5.813 1.00 14.18 O ATOM 799 H GLY A 107 -3.951 -17.245 4.352 1.00 0.00 H ATOM 800 N VAL A 108 -5.913 -13.936 6.067 1.00 13.52 N ATOM 801 CA VAL A 108 -5.493 -12.652 6.591 1.00 12.88 C ATOM 802 C VAL A 108 -5.253 -12.814 8.097 1.00 13.20 C ATOM 803 O VAL A 108 -6.206 -12.859 8.880 1.00 15.26 O ATOM 804 CB VAL A 108 -6.491 -11.511 6.291 1.00 12.62 C ATOM 805 CG1 VAL A 108 -5.853 -10.177 6.711 1.00 12.32 C ATOM 806 CG2 VAL A 108 -6.835 -11.460 4.817 1.00 13.70 C ATOM 807 H VAL A 108 -6.924 -14.131 5.922 1.00 0.00 H ATOM 808 N TYR A 109 -3.991 -12.951 8.486 1.00 12.60 N ATOM 809 CA TYR A 109 -3.648 -13.140 9.900 1.00 12.17 C ATOM 810 C TYR A 109 -3.721 -11.803 10.647 1.00 11.86 C ATOM 811 O TYR A 109 -3.110 -10.816 10.226 1.00 10.55 O ATOM 812 CB TYR A 109 -2.263 -13.749 10.022 1.00 12.75 C ATOM 813 CG TYR A 109 -1.810 -13.895 11.458 1.00 16.64 C ATOM 814 CD1 TYR A 109 -2.271 -14.939 12.252 1.00 21.31 C ATOM 815 CD2 TYR A 109 -0.944 -12.972 12.014 1.00 21.76 C ATOM 816 CE1 TYR A 109 -1.865 -15.054 13.606 1.00 26.08 C ATOM 817 CE2 TYR A 109 -0.522 -13.077 13.346 1.00 26.97 C ATOM 818 CZ TYR A 109 -0.980 -14.116 14.130 1.00 27.57 C ATOM 819 OH TYR A 109 -0.541 -14.188 15.435 1.00 31.21 O ATOM 820 HH TYR A 109 -0.947 -14.976 15.875 1.00 0.00 H ATOM 821 H TYR A 109 -3.232 -12.924 7.776 1.00 0.00 H ATOM 822 N ILE A 110 -4.438 -11.789 11.769 1.00 11.45 N ATOM 823 CA ILE A 110 -4.622 -10.564 12.545 1.00 11.11 C ATOM 824 C ILE A 110 -3.700 -10.587 13.749 1.00 11.55 C ATOM 825 O ILE A 110 -3.720 -11.543 14.536 1.00 10.60 O ATOM 826 CB ILE A 110 -6.094 -10.380 13.009 1.00 11.46 C ATOM 827 CG1 ILE A 110 -7.012 -10.388 11.778 1.00 11.93 C ATOM 828 CG2 ILE A 110 -6.232 -9.058 13.793 1.00 12.87 C ATOM 829 CD1 ILE A 110 -8.489 -10.504 12.104 1.00 16.66 C ATOM 830 H ILE A 110 -4.878 -12.671 12.101 1.00 0.00 H ATOM 831 N LEU A 111 -2.883 -9.537 13.889 1.00 11.41 N ATOM 832 CA LEU A 111 -2.005 -9.410 15.059 1.00 12.13 C ATOM 833 C LEU A 111 -2.912 -9.138 16.274 1.00 12.42 C ATOM 834 O LEU A 111 -3.726 -8.197 16.262 1.00 12.93 O ATOM 835 CB LEU A 111 -0.998 -8.245 14.885 1.00 11.95 C ATOM 836 CG LEU A 111 -0.097 -7.889 16.096 1.00 13.61 C ATOM 837 CD1 LEU A 111 0.699 -9.065 16.512 1.00 14.87 C ATOM 838 CD2 LEU A 111 0.852 -6.747 15.684 1.00 13.22 C ATOM 839 H LEU A 111 -2.870 -8.798 13.157 1.00 0.00 H ATOM 840 N VAL A 112 -2.749 -9.942 17.325 1.00 12.71 N ATOM 841 CA VAL A 112 -3.621 -9.789 18.502 1.00 12.99 C ATOM 842 C VAL A 112 -2.901 -9.024 19.619 1.00 12.95 C ATOM 843 O VAL A 112 -3.416 -8.030 20.114 1.00 13.48 O ATOM 844 CB VAL A 112 -4.148 -11.163 18.989 1.00 12.68 C ATOM 845 CG1 VAL A 112 -4.963 -11.024 20.292 1.00 14.76 C ATOM 846 CG2 VAL A 112 -5.050 -11.769 17.924 1.00 13.27 C ATOM 847 H VAL A 112 -2.010 -10.674 17.314 1.00 0.00 H ATOM 848 N THR A 113 -1.701 -9.478 19.978 1.00 13.52 N ATOM 849 CA THR A 113 -1.005 -8.951 21.162 1.00 13.41 C ATOM 850 C THR A 113 0.376 -8.407 20.809 1.00 12.25 C ATOM 851 O THR A 113 1.263 -9.169 20.389 1.00 12.46 O ATOM 852 CB THR A 113 -0.782 -10.058 22.230 1.00 14.07 C ATOM 853 OG1 THR A 113 -2.005 -10.710 22.547 1.00 15.77 O ATOM 854 CG2 THR A 113 -0.199 -9.450 23.529 1.00 14.10 C ATOM 855 HG1 THR A 113 -2.377 -11.126 21.729 1.00 0.00 H ATOM 856 H THR A 113 -1.247 -10.221 19.409 1.00 0.00 H ATOM 857 N SER A 114 0.579 -7.115 21.030 1.00 11.47 N ATOM 858 CA SER A 114 1.886 -6.502 20.785 1.00 11.35 C ATOM 859 C SER A 114 2.045 -5.344 21.742 1.00 11.32 C ATOM 860 O SER A 114 1.053 -4.721 22.120 1.00 12.67 O ATOM 861 CB SER A 114 1.963 -6.014 19.340 1.00 12.00 C ATOM 862 OG SER A 114 3.161 -5.297 19.098 1.00 10.24 O ATOM 863 HG SER A 114 3.179 -4.996 18.155 1.00 0.00 H ATOM 864 H SER A 114 -0.203 -6.528 21.383 1.00 0.00 H ATOM 865 N ASN A 115 3.283 -5.063 22.166 1.00 10.26 N ATOM 866 CA ASN A 115 3.544 -3.895 23.005 1.00 9.36 C ATOM 867 C ASN A 115 3.605 -2.608 22.209 1.00 9.29 C ATOM 868 O ASN A 115 3.410 -1.526 22.752 1.00 10.23 O ATOM 869 CB ASN A 115 4.932 -4.019 23.656 1.00 9.26 C ATOM 870 CG ASN A 115 4.973 -4.971 24.837 1.00 9.21 C ATOM 871 OD1 ASN A 115 3.942 -5.341 25.414 1.00 10.82 O ATOM 872 ND2 ASN A 115 6.190 -5.332 25.252 1.00 8.86 N ATOM 873 HD22 ASN A 115 7.033 -5.001 24.741 1.00 0.00 H ATOM 874 HD21 ASN A 115 6.295 -5.944 26.086 1.00 0.00 H ATOM 875 H ASN A 115 4.071 -5.685 21.894 1.00 0.00 H ATOM 876 N THR A 116 3.910 -2.724 20.925 1.00 9.47 N ATOM 877 CA THR A 116 4.507 -1.597 20.169 1.00 10.20 C ATOM 878 C THR A 116 3.581 -1.095 19.060 1.00 10.29 C ATOM 879 O THR A 116 2.634 -1.758 18.704 1.00 9.87 O ATOM 880 CB THR A 116 5.841 -2.017 19.516 1.00 10.15 C ATOM 881 OG1 THR A 116 5.593 -3.143 18.692 1.00 10.57 O ATOM 882 CG2 THR A 116 6.911 -2.368 20.580 1.00 11.41 C ATOM 883 HG1 THR A 116 4.933 -2.901 17.995 1.00 0.00 H ATOM 884 H THR A 116 3.727 -3.624 20.437 1.00 0.00 H ATOM 885 N SER A 117 3.866 0.091 18.524 1.00 10.67 N ATOM 886 CA SER A 117 2.866 0.830 17.745 1.00 10.85 C ATOM 887 C SER A 117 3.271 1.133 16.311 1.00 11.18 C ATOM 888 O SER A 117 2.492 1.725 15.565 1.00 11.49 O ATOM 889 CB SER A 117 2.602 2.145 18.466 1.00 11.63 C ATOM 890 OG SER A 117 3.757 2.955 18.427 1.00 11.32 O ATOM 891 HG SER A 117 3.996 3.141 17.485 1.00 0.00 H ATOM 892 H SER A 117 4.813 0.500 18.660 1.00 0.00 H ATOM 893 N HIS A 118 4.469 0.738 15.924 1.00 10.45 N ATOM 894 CA HIS A 118 5.001 1.066 14.586 1.00 10.18 C ATOM 895 C HIS A 118 5.130 -0.173 13.700 1.00 10.23 C ATOM 896 O HIS A 118 5.789 -1.150 14.068 1.00 10.16 O ATOM 897 CB HIS A 118 6.342 1.833 14.674 1.00 10.45 C ATOM 898 CG HIS A 118 6.190 3.285 15.007 1.00 13.41 C ATOM 899 ND1 HIS A 118 5.256 3.763 15.907 1.00 17.33 N ATOM 900 CD2 HIS A 118 6.885 4.367 14.589 1.00 17.00 C ATOM 901 CE1 HIS A 118 5.369 5.071 16.012 1.00 15.51 C ATOM 902 NE2 HIS A 118 6.341 5.466 15.211 1.00 17.07 N ATOM 903 H HIS A 118 5.054 0.181 16.579 1.00 0.00 H ATOM 904 N TYR A 119 4.496 -0.134 12.527 1.00 9.02 N ATOM 905 CA TYR A 119 4.561 -1.277 11.594 1.00 9.07 C ATOM 906 C TYR A 119 4.800 -0.769 10.176 1.00 9.02 C ATOM 907 O TYR A 119 5.251 0.361 9.973 1.00 9.88 O ATOM 908 CB TYR A 119 3.236 -2.071 11.664 1.00 8.01 C ATOM 909 CG TYR A 119 2.937 -2.576 13.066 1.00 8.15 C ATOM 910 CD1 TYR A 119 3.540 -3.745 13.551 1.00 8.31 C ATOM 911 CD2 TYR A 119 2.080 -1.864 13.917 1.00 7.29 C ATOM 912 CE1 TYR A 119 3.279 -4.218 14.845 1.00 9.03 C ATOM 913 CE2 TYR A 119 1.805 -2.321 15.254 1.00 7.76 C ATOM 914 CZ TYR A 119 2.418 -3.505 15.689 1.00 9.40 C ATOM 915 OH TYR A 119 2.216 -4.000 16.958 1.00 10.06 O ATOM 916 HH TYR A 119 2.519 -3.333 17.623 1.00 0.00 H ATOM 917 H TYR A 119 3.949 0.711 12.266 1.00 0.00 H ATOM 918 N ASP A 120 4.470 -1.588 9.193 1.00 9.60 N ATOM 919 CA ASP A 120 4.366 -1.100 7.816 1.00 9.03 C ATOM 920 C ASP A 120 2.887 -0.715 7.579 1.00 9.16 C ATOM 921 O ASP A 120 2.063 -0.734 8.519 1.00 8.84 O ATOM 922 CB ASP A 120 4.769 -2.203 6.843 1.00 8.78 C ATOM 923 CG ASP A 120 6.247 -2.645 6.981 1.00 10.13 C ATOM 924 OD1 ASP A 120 7.095 -1.956 7.632 1.00 12.14 O ATOM 925 OD2 ASP A 120 6.549 -3.717 6.396 1.00 12.88 O ATOM 926 H ASP A 120 4.282 -2.590 9.399 1.00 0.00 H ATOM 927 N THR A 121 2.530 -0.383 6.335 1.00 9.81 N ATOM 928 CA THR A 121 1.115 -0.179 6.029 1.00 10.46 C ATOM 929 C THR A 121 0.679 -0.887 4.756 1.00 10.23 C ATOM 930 O THR A 121 1.489 -1.186 3.874 1.00 9.82 O ATOM 931 CB THR A 121 0.703 1.336 6.004 1.00 11.97 C ATOM 932 OG1 THR A 121 -0.735 1.438 5.969 1.00 11.52 O ATOM 933 CG2 THR A 121 1.264 2.052 4.772 1.00 11.12 C ATOM 934 HG1 THR A 121 -1.077 0.987 5.157 1.00 0.00 H ATOM 935 H THR A 121 3.250 -0.271 5.593 1.00 0.00 H ATOM 936 N TYR A 122 -0.617 -1.185 4.677 1.00 9.67 N ATOM 937 CA TYR A 122 -1.187 -1.545 3.389 1.00 8.34 C ATOM 938 C TYR A 122 -1.961 -0.340 2.925 1.00 9.37 C ATOM 939 O TYR A 122 -2.426 0.451 3.751 1.00 10.72 O ATOM 940 CB TYR A 122 -2.086 -2.783 3.519 1.00 8.20 C ATOM 941 CG TYR A 122 -1.287 -3.955 3.967 1.00 7.15 C ATOM 942 CD1 TYR A 122 -0.502 -4.659 3.039 1.00 7.06 C ATOM 943 CD2 TYR A 122 -1.229 -4.313 5.319 1.00 9.71 C ATOM 944 CE1 TYR A 122 0.290 -5.736 3.429 1.00 10.45 C ATOM 945 CE2 TYR A 122 -0.417 -5.409 5.755 1.00 10.45 C ATOM 946 CZ TYR A 122 0.346 -6.102 4.793 1.00 10.69 C ATOM 947 OH TYR A 122 1.180 -7.142 5.147 1.00 11.82 O ATOM 948 HH TYR A 122 1.863 -6.814 5.784 1.00 0.00 H ATOM 949 H TYR A 122 -1.215 -1.160 5.528 1.00 0.00 H ATOM 950 N CYS A 123 -2.097 -0.201 1.614 1.00 9.56 N ATOM 951 CA CYS A 123 -2.874 0.875 1.016 1.00 9.93 C ATOM 952 C CYS A 123 -3.759 0.274 -0.054 1.00 10.08 C ATOM 953 O CYS A 123 -3.462 -0.784 -0.614 1.00 9.41 O ATOM 954 CB CYS A 123 -1.973 1.964 0.406 1.00 10.64 C ATOM 955 SG CYS A 123 -0.963 2.864 1.627 1.00 15.51 S ATOM 956 H CYS A 123 -1.630 -0.888 0.988 1.00 0.00 H ATOM 957 N PHE A 124 -4.858 0.952 -0.330 1.00 9.64 N ATOM 958 CA PHE A 124 -5.786 0.489 -1.361 1.00 9.16 C ATOM 959 C PHE A 124 -6.036 1.610 -2.361 1.00 10.02 C ATOM 960 O PHE A 124 -6.493 2.685 -1.970 1.00 9.53 O ATOM 961 CB PHE A 124 -7.127 0.056 -0.730 1.00 10.11 C ATOM 962 CG PHE A 124 -8.197 -0.100 -1.738 1.00 9.18 C ATOM 963 CD1 PHE A 124 -8.116 -1.122 -2.690 1.00 10.17 C ATOM 964 CD2 PHE A 124 -9.261 0.793 -1.769 1.00 8.44 C ATOM 965 CE1 PHE A 124 -9.086 -1.240 -3.696 1.00 11.23 C ATOM 966 CE2 PHE A 124 -10.255 0.693 -2.784 1.00 10.56 C ATOM 967 CZ PHE A 124 -10.168 -0.330 -3.739 1.00 9.71 C ATOM 968 H PHE A 124 -5.066 1.827 0.193 1.00 0.00 H ATOM 969 N ASN A 125 -5.746 1.335 -3.644 1.00 11.34 N ATOM 970 CA ASN A 125 -5.995 2.270 -4.731 1.00 12.70 C ATOM 971 C ASN A 125 -7.134 1.767 -5.647 1.00 12.22 C ATOM 972 O ASN A 125 -6.975 0.771 -6.386 1.00 12.69 O ATOM 973 CB ASN A 125 -4.723 2.489 -5.559 1.00 13.00 C ATOM 974 CG ASN A 125 -4.848 3.666 -6.514 1.00 18.79 C ATOM 975 OD1 ASN A 125 -5.923 3.949 -7.052 1.00 17.69 O ATOM 976 ND2 ASN A 125 -3.731 4.384 -6.716 1.00 25.93 N ATOM 977 HD22 ASN A 125 -2.845 4.112 -6.244 1.00 0.00 H ATOM 978 HD21 ASN A 125 -3.752 5.212 -7.345 1.00 0.00 H ATOM 979 H ASN A 125 -5.324 0.412 -3.870 1.00 0.00 H ATOM 980 N ALA A 126 -8.276 2.445 -5.589 1.00 12.41 N ATOM 981 CA ALA A 126 -9.458 2.008 -6.366 1.00 13.69 C ATOM 982 C ALA A 126 -9.241 2.026 -7.884 1.00 13.73 C ATOM 983 O ALA A 126 -9.951 1.315 -8.617 1.00 14.36 O ATOM 984 CB ALA A 126 -10.692 2.846 -5.997 1.00 14.21 C ATOM 985 H ALA A 126 -8.340 3.293 -4.990 1.00 0.00 H ATOM 986 N SER A 127 -8.273 2.816 -8.351 1.00 13.84 N ATOM 987 CA SER A 127 -7.983 2.920 -9.794 1.00 15.02 C ATOM 988 C SER A 127 -7.030 1.868 -10.334 1.00 15.10 C ATOM 989 O SER A 127 -6.790 1.823 -11.542 1.00 16.12 O ATOM 990 CB SER A 127 -7.409 4.295 -10.124 1.00 15.66 C ATOM 991 OG SER A 127 -8.350 5.286 -9.788 1.00 20.12 O ATOM 992 HG SER A 127 -7.978 6.178 -10.002 1.00 0.00 H ATOM 993 H SER A 127 -7.707 3.374 -7.680 1.00 0.00 H ATOM 994 N ALA A 128 -6.504 1.004 -9.476 1.00 14.08 N ATOM 995 CA ALA A 128 -5.616 -0.064 -9.936 1.00 13.84 C ATOM 996 C ALA A 128 -6.371 -1.136 -10.742 1.00 14.31 C ATOM 997 O ALA A 128 -7.631 -1.165 -10.723 1.00 14.40 O ATOM 998 CB ALA A 128 -4.834 -0.684 -8.728 1.00 13.66 C ATOM 999 H ALA A 128 -6.726 1.087 -8.463 1.00 0.00 H ATOM 1000 N PRO A 129 -5.637 -2.008 -11.482 1.00 14.07 N ATOM 1001 CA PRO A 129 -6.314 -3.146 -12.135 1.00 13.89 C ATOM 1002 C PRO A 129 -6.995 -4.121 -11.160 1.00 13.06 C ATOM 1003 O PRO A 129 -6.639 -4.145 -9.976 1.00 13.47 O ATOM 1004 CB PRO A 129 -5.175 -3.863 -12.871 1.00 14.60 C ATOM 1005 CG PRO A 129 -4.188 -2.752 -13.183 1.00 15.78 C ATOM 1006 CD PRO A 129 -4.221 -1.901 -11.923 1.00 13.77 C ATOM 1007 N PRO A 130 -7.986 -4.905 -11.643 1.00 12.56 N ATOM 1008 CA PRO A 130 -8.759 -5.725 -10.695 1.00 12.29 C ATOM 1009 C PRO A 130 -8.047 -6.934 -10.105 1.00 12.14 C ATOM 1010 O PRO A 130 -8.429 -7.416 -9.025 1.00 11.53 O ATOM 1011 CB PRO A 130 -9.986 -6.168 -11.528 1.00 12.34 C ATOM 1012 CG PRO A 130 -9.505 -6.110 -12.983 1.00 11.52 C ATOM 1013 CD PRO A 130 -8.577 -4.912 -13.002 1.00 12.46 C ATOM 1014 N GLU A 131 -7.012 -7.421 -10.780 1.00 13.17 N ATOM 1015 CA GLU A 131 -6.330 -8.623 -10.313 1.00 13.65 C ATOM 1016 C GLU A 131 -4.885 -8.273 -9.981 1.00 14.61 C ATOM 1017 O GLU A 131 -4.663 -7.273 -9.318 1.00 14.64 O ATOM 1018 CB GLU A 131 -6.514 -9.768 -11.322 1.00 15.16 C ATOM 1019 CG GLU A 131 -8.044 -10.074 -11.432 1.00 18.32 C ATOM 1020 CD GLU A 131 -8.399 -11.335 -12.179 1.00 26.55 C ATOM 1021 OE1 GLU A 131 -8.140 -11.378 -13.397 1.00 27.46 O ATOM 1022 OE2 GLU A 131 -8.996 -12.257 -11.555 1.00 31.16 O ATOM 1023 H GLU A 131 -6.687 -6.944 -11.645 1.00 0.00 H ATOM 1024 N GLU A 132 -3.909 -9.074 -10.418 1.00 16.09 N ATOM 1025 CA GLU A 132 -2.496 -8.786 -10.092 1.00 17.19 C ATOM 1026 C GLU A 132 -1.913 -7.688 -10.997 1.00 17.10 C ATOM 1027 O GLU A 132 -2.053 -7.747 -12.228 1.00 16.89 O ATOM 1028 CB GLU A 132 -1.652 -10.070 -10.193 1.00 18.10 C ATOM 1029 CG GLU A 132 -0.167 -9.856 -9.835 1.00 22.30 C ATOM 1030 CD GLU A 132 0.689 -11.121 -9.998 1.00 27.13 C ATOM 1031 OE1 GLU A 132 1.091 -11.707 -8.978 1.00 31.08 O ATOM 1032 OE2 GLU A 132 0.969 -11.521 -11.144 1.00 32.12 O ATOM 1033 H GLU A 132 -4.145 -9.908 -10.993 1.00 0.00 H ATOM 1034 N ASP A 133 -1.275 -6.693 -10.392 1.00 15.72 N ATOM 1035 CA ASP A 133 -0.600 -5.640 -11.149 1.00 16.14 C ATOM 1036 C ASP A 133 0.822 -5.532 -10.628 1.00 16.25 C ATOM 1037 O ASP A 133 1.074 -4.880 -9.597 1.00 14.46 O ATOM 1038 CB ASP A 133 -1.339 -4.291 -11.070 1.00 15.66 C ATOM 1039 CG ASP A 133 -0.595 -3.173 -11.800 1.00 17.35 C ATOM 1040 OD1 ASP A 133 0.332 -3.476 -12.612 1.00 18.05 O ATOM 1041 OD2 ASP A 133 -0.921 -1.986 -11.567 1.00 17.78 O ATOM 1042 H ASP A 133 -1.255 -6.662 -9.353 1.00 0.00 H ATOM 1043 N CYS A 134 1.740 -6.198 -11.331 1.00 16.87 N ATOM 1044 CA CYS A 134 3.150 -6.205 -10.909 1.00 19.18 C ATOM 1045 C CYS A 134 4.025 -5.218 -11.678 1.00 18.45 C ATOM 1046 O CYS A 134 5.252 -5.352 -11.740 1.00 20.33 O ATOM 1047 CB CYS A 134 3.713 -7.645 -10.900 1.00 20.18 C ATOM 1048 SG CYS A 134 3.200 -8.519 -9.374 1.00 26.15 S ATOM 1049 H CYS A 134 1.456 -6.718 -12.186 1.00 0.00 H ATOM 1050 N THR A 135 3.391 -4.200 -12.239 1.00 17.41 N ATOM 1051 CA THR A 135 4.127 -3.093 -12.812 1.00 16.14 C ATOM 1052 C THR A 135 4.661 -2.179 -11.712 1.00 15.93 C ATOM 1053 O THR A 135 4.156 -2.179 -10.575 1.00 16.21 O ATOM 1054 CB THR A 135 3.290 -2.307 -13.803 1.00 16.45 C ATOM 1055 OG1 THR A 135 2.168 -1.728 -13.122 1.00 16.81 O ATOM 1056 CG2 THR A 135 2.812 -3.225 -14.929 1.00 16.76 C ATOM 1057 HG1 THR A 135 1.619 -2.448 -12.721 1.00 0.00 H ATOM 1058 H THR A 135 2.351 -4.196 -12.268 1.00 0.00 H ATOM 1059 N SER A 136 5.679 -1.401 -12.067 1.00 15.69 N ATOM 1060 CA SER A 136 6.295 -0.435 -11.156 1.00 16.17 C ATOM 1061 C SER A 136 5.383 0.721 -10.774 1.00 16.68 C ATOM 1062 O SER A 136 4.538 1.153 -11.564 1.00 16.28 O ATOM 1063 CB SER A 136 7.562 0.131 -11.780 1.00 15.90 C ATOM 1064 OG SER A 136 8.570 -0.849 -11.803 1.00 16.20 O ATOM 1065 HG SER A 136 9.388 -0.469 -12.211 1.00 0.00 H ATOM 1066 H SER A 136 6.054 -1.482 -13.034 1.00 0.00 H ATOM 1067 N VAL A 137 5.572 1.213 -9.550 1.00 16.33 N ATOM 1068 CA VAL A 137 4.910 2.439 -9.088 1.00 17.84 C ATOM 1069 C VAL A 137 5.857 3.600 -9.372 1.00 19.48 C ATOM 1070 O VAL A 137 7.049 3.581 -8.992 1.00 18.39 O ATOM 1071 CB VAL A 137 4.564 2.377 -7.583 1.00 17.59 C ATOM 1072 CG1 VAL A 137 3.897 3.704 -7.108 1.00 17.25 C ATOM 1073 CG2 VAL A 137 3.638 1.228 -7.311 1.00 18.07 C ATOM 1074 H VAL A 137 6.210 0.711 -8.900 1.00 0.00 H ATOM 1075 N THR A 138 5.305 4.613 -10.034 1.00 21.34 N ATOM 1076 CA THR A 138 6.078 5.640 -10.712 1.00 23.90 C ATOM 1077 C THR A 138 5.816 7.057 -10.177 1.00 24.30 C ATOM 1078 O THR A 138 6.365 8.024 -10.693 1.00 24.17 O ATOM 1079 CB THR A 138 5.682 5.672 -12.219 1.00 24.79 C ATOM 1080 OG1 THR A 138 4.351 6.188 -12.326 1.00 28.53 O ATOM 1081 CG2 THR A 138 5.695 4.282 -12.822 1.00 26.39 C ATOM 1082 HG1 THR A 138 4.322 7.103 -11.948 1.00 0.00 H ATOM 1083 H THR A 138 4.267 4.673 -10.068 1.00 0.00 H ATOM 1084 N ASP A 139 4.919 7.189 -9.209 1.00 24.66 N ATOM 1085 CA ASP A 139 4.560 8.509 -8.704 1.00 25.88 C ATOM 1086 C ASP A 139 3.948 8.412 -7.329 1.00 25.18 C ATOM 1087 O ASP A 139 3.491 7.349 -6.896 1.00 24.98 O ATOM 1088 CB ASP A 139 3.605 9.267 -9.648 1.00 26.74 C ATOM 1089 CG ASP A 139 3.526 10.802 -9.337 1.00 30.26 C ATOM 1090 OD1 ASP A 139 4.372 11.379 -8.577 1.00 31.56 O ATOM 1091 OD2 ASP A 139 2.596 11.439 -9.875 1.00 35.16 O ATOM 1092 H ASP A 139 4.467 6.343 -8.806 1.00 0.00 H ATOM 1093 N LEU A 140 3.965 9.553 -6.650 1.00 24.45 N ATOM 1094 CA LEU A 140 3.373 9.728 -5.364 1.00 23.28 C ATOM 1095 C LEU A 140 2.472 10.925 -5.611 1.00 22.93 C ATOM 1096 O LEU A 140 2.830 12.063 -5.271 1.00 22.62 O ATOM 1097 CB LEU A 140 4.483 10.043 -4.362 1.00 23.75 C ATOM 1098 CG LEU A 140 4.100 10.097 -2.885 1.00 22.82 C ATOM 1099 CD1 LEU A 140 3.673 8.725 -2.389 1.00 23.08 C ATOM 1100 CD2 LEU A 140 5.263 10.610 -2.071 1.00 24.70 C ATOM 1101 H LEU A 140 4.440 10.371 -7.083 1.00 0.00 H ATOM 1102 N PRO A 141 1.304 10.674 -6.235 1.00 22.18 N ATOM 1103 CA PRO A 141 0.579 11.728 -6.937 1.00 21.56 C ATOM 1104 C PRO A 141 0.032 12.817 -6.033 1.00 21.16 C ATOM 1105 O PRO A 141 -0.202 13.942 -6.502 1.00 21.09 O ATOM 1106 CB PRO A 141 -0.573 10.976 -7.631 1.00 21.81 C ATOM 1107 CG PRO A 141 -0.699 9.692 -6.914 1.00 22.12 C ATOM 1108 CD PRO A 141 0.651 9.356 -6.378 1.00 21.79 C ATOM 1109 N ASN A 142 -0.165 12.500 -4.759 1.00 19.29 N ATOM 1110 CA ASN A 142 -0.800 13.434 -3.856 1.00 18.63 C ATOM 1111 C ASN A 142 0.088 13.927 -2.714 1.00 17.62 C ATOM 1112 O ASN A 142 -0.416 14.425 -1.694 1.00 16.49 O ATOM 1113 CB ASN A 142 -2.075 12.809 -3.315 1.00 19.88 C ATOM 1114 CG ASN A 142 -3.082 13.823 -2.926 1.00 21.69 C ATOM 1115 OD1 ASN A 142 -3.196 14.890 -3.564 1.00 25.08 O ATOM 1116 ND2 ASN A 142 -3.827 13.533 -1.857 1.00 23.61 N ATOM 1117 HD22 ASN A 142 -3.693 12.629 -1.360 1.00 0.00 H ATOM 1118 HD21 ASN A 142 -4.541 14.211 -1.522 1.00 0.00 H ATOM 1119 H ASN A 142 0.141 11.570 -4.407 1.00 0.00 H ATOM 1120 N SER A 143 1.404 13.798 -2.876 1.00 16.53 N ATOM 1121 CA SER A 143 2.345 14.374 -1.899 1.00 16.39 C ATOM 1122 C SER A 143 2.248 15.888 -2.025 1.00 15.67 C ATOM 1123 O SER A 143 1.819 16.418 -3.068 1.00 14.77 O ATOM 1124 CB SER A 143 3.778 13.925 -2.168 1.00 15.93 C ATOM 1125 OG SER A 143 4.138 14.158 -3.509 1.00 17.72 O ATOM 1126 HG SER A 143 3.530 13.653 -4.105 1.00 0.00 H ATOM 1127 H SER A 143 1.772 13.284 -3.702 1.00 0.00 H ATOM 1128 N PHE A 144 2.622 16.587 -0.970 1.00 14.88 N ATOM 1129 CA PHE A 144 2.525 18.040 -1.028 1.00 15.24 C ATOM 1130 C PHE A 144 3.906 18.672 -0.996 1.00 14.62 C ATOM 1131 O PHE A 144 4.924 17.972 -0.923 1.00 14.27 O ATOM 1132 CB PHE A 144 1.544 18.618 0.004 1.00 15.63 C ATOM 1133 CG PHE A 144 1.705 18.090 1.391 1.00 17.86 C ATOM 1134 CD1 PHE A 144 2.649 18.640 2.256 1.00 18.87 C ATOM 1135 CD2 PHE A 144 0.887 17.058 1.845 1.00 19.40 C ATOM 1136 CE1 PHE A 144 2.790 18.147 3.577 1.00 22.37 C ATOM 1137 CE2 PHE A 144 1.008 16.567 3.150 1.00 21.93 C ATOM 1138 CZ PHE A 144 1.980 17.107 4.016 1.00 21.32 C ATOM 1139 H PHE A 144 2.978 16.112 -0.116 1.00 0.00 H ATOM 1140 N ASP A 145 3.949 19.988 -1.114 1.00 14.15 N ATOM 1141 CA ASP A 145 5.217 20.702 -1.085 1.00 14.96 C ATOM 1142 C ASP A 145 5.977 20.451 0.235 1.00 14.58 C ATOM 1143 O ASP A 145 5.397 20.444 1.326 1.00 14.76 O ATOM 1144 CB ASP A 145 4.980 22.205 -1.277 1.00 14.98 C ATOM 1145 CG ASP A 145 6.281 22.998 -1.289 1.00 17.66 C ATOM 1146 OD1 ASP A 145 6.929 23.079 -2.361 1.00 19.73 O ATOM 1147 OD2 ASP A 145 6.663 23.536 -0.233 1.00 21.72 O ATOM 1148 H ASP A 145 3.064 20.521 -1.229 1.00 0.00 H ATOM 1149 N GLY A 146 7.280 20.249 0.113 1.00 15.83 N ATOM 1150 CA GLY A 146 8.127 20.012 1.276 1.00 15.52 C ATOM 1151 C GLY A 146 9.579 19.753 0.938 1.00 16.40 C ATOM 1152 O GLY A 146 9.949 19.697 -0.244 1.00 15.53 O ATOM 1153 H GLY A 146 7.709 20.260 -0.834 1.00 0.00 H ATOM 1154 N PRO A 147 10.414 19.588 1.981 1.00 17.02 N ATOM 1155 CA PRO A 147 11.876 19.540 1.907 1.00 17.75 C ATOM 1156 C PRO A 147 12.464 18.131 1.686 1.00 17.79 C ATOM 1157 O PRO A 147 13.638 18.011 1.320 1.00 17.93 O ATOM 1158 CB PRO A 147 12.289 20.048 3.287 1.00 17.93 C ATOM 1159 CG PRO A 147 11.222 19.472 4.198 1.00 17.63 C ATOM 1160 CD PRO A 147 9.932 19.498 3.371 1.00 17.58 C ATOM 1161 N VAL A 148 11.646 17.101 1.893 1.00 16.76 N ATOM 1162 CA VAL A 148 12.103 15.716 1.932 1.00 16.41 C ATOM 1163 C VAL A 148 12.300 15.156 0.521 1.00 16.05 C ATOM 1164 O VAL A 148 11.432 15.291 -0.342 1.00 16.60 O ATOM 1165 CB VAL A 148 11.094 14.820 2.684 1.00 16.20 C ATOM 1166 CG1 VAL A 148 11.665 13.399 2.877 1.00 16.85 C ATOM 1167 CG2 VAL A 148 10.655 15.441 4.033 1.00 17.25 C ATOM 1168 H VAL A 148 10.634 17.293 2.034 1.00 0.00 H ATOM 1169 N THR A 149 13.435 14.512 0.282 1.00 15.99 N ATOM 1170 CA THR A 149 13.583 13.689 -0.923 1.00 15.68 C ATOM 1171 C THR A 149 12.934 12.328 -0.671 1.00 15.37 C ATOM 1172 O THR A 149 13.425 11.556 0.127 1.00 14.91 O ATOM 1173 CB THR A 149 15.064 13.524 -1.320 1.00 16.62 C ATOM 1174 OG1 THR A 149 15.590 14.818 -1.640 1.00 17.89 O ATOM 1175 CG2 THR A 149 15.232 12.598 -2.563 1.00 17.90 C ATOM 1176 HG1 THR A 149 16.542 14.731 -1.898 1.00 0.00 H ATOM 1177 H THR A 149 14.225 14.591 0.954 1.00 0.00 H ATOM 1178 N ILE A 150 11.827 12.074 -1.352 1.00 14.26 N ATOM 1179 CA ILE A 150 11.052 10.844 -1.151 1.00 14.46 C ATOM 1180 C ILE A 150 11.334 9.954 -2.339 1.00 14.35 C ATOM 1181 O ILE A 150 11.098 10.345 -3.486 1.00 13.98 O ATOM 1182 CB ILE A 150 9.539 11.142 -1.048 1.00 14.97 C ATOM 1183 CG1 ILE A 150 9.286 12.126 0.095 1.00 16.37 C ATOM 1184 CG2 ILE A 150 8.734 9.839 -0.933 1.00 15.22 C ATOM 1185 CD1 ILE A 150 7.893 12.776 0.026 1.00 19.20 C ATOM 1186 H ILE A 150 11.496 12.769 -2.052 1.00 0.00 H ATOM 1187 N THR A 151 11.802 8.743 -2.064 1.00 12.99 N ATOM 1188 CA THR A 151 12.115 7.812 -3.126 1.00 13.48 C ATOM 1189 C THR A 151 11.202 6.598 -3.038 1.00 13.06 C ATOM 1190 O THR A 151 11.182 5.921 -2.031 1.00 12.96 O ATOM 1191 CB THR A 151 13.628 7.406 -3.096 1.00 13.94 C ATOM 1192 OG1 THR A 151 14.444 8.574 -3.301 1.00 16.13 O ATOM 1193 CG2 THR A 151 13.965 6.403 -4.209 1.00 14.80 C ATOM 1194 HG1 THR A 151 14.228 8.976 -4.179 1.00 0.00 H ATOM 1195 H THR A 151 11.945 8.460 -1.074 1.00 0.00 H ATOM 1196 N ILE A 152 10.410 6.374 -4.096 1.00 11.98 N ATOM 1197 CA ILE A 152 9.691 5.129 -4.279 1.00 11.60 C ATOM 1198 C ILE A 152 10.649 4.052 -4.796 1.00 11.45 C ATOM 1199 O ILE A 152 11.339 4.242 -5.818 1.00 11.47 O ATOM 1200 CB ILE A 152 8.522 5.281 -5.269 1.00 11.23 C ATOM 1201 CG1 ILE A 152 7.589 6.390 -4.780 1.00 14.27 C ATOM 1202 CG2 ILE A 152 7.786 3.924 -5.417 1.00 11.60 C ATOM 1203 CD1 ILE A 152 6.516 6.753 -5.733 1.00 19.01 C ATOM 1204 H ILE A 152 10.308 7.121 -4.812 1.00 0.00 H ATOM 1205 N VAL A 153 10.678 2.920 -4.096 1.00 9.85 N ATOM 1206 CA VAL A 153 11.556 1.821 -4.498 1.00 10.81 C ATOM 1207 C VAL A 153 10.706 0.586 -4.794 1.00 10.18 C ATOM 1208 O VAL A 153 10.056 0.036 -3.901 1.00 9.67 O ATOM 1209 CB VAL A 153 12.604 1.454 -3.427 1.00 9.97 C ATOM 1210 CG1 VAL A 153 13.568 0.353 -3.964 1.00 13.47 C ATOM 1211 CG2 VAL A 153 13.389 2.703 -2.924 1.00 11.56 C ATOM 1212 H VAL A 153 10.072 2.816 -3.257 1.00 0.00 H ATOM 1213 N ASN A 154 10.732 0.153 -6.050 1.00 8.98 N ATOM 1214 CA ASN A 154 10.018 -1.056 -6.446 1.00 9.53 C ATOM 1215 C ASN A 154 10.837 -2.296 -6.182 1.00 9.62 C ATOM 1216 O ASN A 154 12.058 -2.212 -6.016 1.00 10.76 O ATOM 1217 CB ASN A 154 9.637 -0.943 -7.921 1.00 9.69 C ATOM 1218 CG ASN A 154 8.606 0.140 -8.131 1.00 10.78 C ATOM 1219 OD1 ASN A 154 7.407 -0.082 -7.907 1.00 10.18 O ATOM 1220 ND2 ASN A 154 9.070 1.341 -8.478 1.00 10.47 N ATOM 1221 HD22 ASN A 154 10.086 1.475 -8.655 1.00 0.00 H ATOM 1222 HD21 ASN A 154 8.416 2.144 -8.572 1.00 0.00 H ATOM 1223 H ASN A 154 11.271 0.685 -6.763 1.00 0.00 H ATOM 1224 N ARG A 155 10.184 -3.457 -6.125 1.00 9.49 N ATOM 1225 CA ARG A 155 10.900 -4.671 -5.783 1.00 10.27 C ATOM 1226 C ARG A 155 11.942 -5.042 -6.854 1.00 10.17 C ATOM 1227 O ARG A 155 12.969 -5.621 -6.536 1.00 9.93 O ATOM 1228 CB ARG A 155 9.911 -5.827 -5.497 1.00 11.21 C ATOM 1229 CG ARG A 155 10.573 -7.167 -5.098 1.00 11.78 C ATOM 1230 CD ARG A 155 11.385 -7.057 -3.780 1.00 15.85 C ATOM 1231 NE ARG A 155 12.735 -6.481 -3.951 1.00 14.42 N ATOM 1232 CZ ARG A 155 13.700 -6.568 -3.040 1.00 15.27 C ATOM 1233 NH1 ARG A 155 13.470 -7.199 -1.898 1.00 16.48 N ATOM 1234 NH2 ARG A 155 14.886 -6.019 -3.253 1.00 15.50 N ATOM 1235 HE ARG A 155 12.943 -5.977 -4.837 1.00 0.00 H ATOM 1236 HH12 ARG A 155 14.221 -7.270 -1.182 1.00 0.00 H ATOM 1237 HH11 ARG A 155 12.538 -7.624 -1.717 1.00 0.00 H ATOM 1238 HH22 ARG A 155 15.631 -6.095 -2.532 1.00 0.00 H ATOM 1239 HH21 ARG A 155 15.072 -5.512 -4.142 1.00 0.00 H ATOM 1240 H ARG A 155 9.164 -3.492 -6.325 1.00 0.00 H ATOM 1241 N ASP A 156 11.696 -4.677 -8.118 1.00 10.01 N ATOM 1242 CA ASP A 156 12.715 -4.875 -9.177 1.00 10.91 C ATOM 1243 C ASP A 156 13.808 -3.810 -9.215 1.00 12.06 C ATOM 1244 O ASP A 156 14.650 -3.787 -10.140 1.00 11.40 O ATOM 1245 CB ASP A 156 12.044 -4.997 -10.573 1.00 10.94 C ATOM 1246 CG ASP A 156 11.440 -3.680 -11.075 1.00 12.69 C ATOM 1247 OD1 ASP A 156 11.567 -2.636 -10.405 1.00 13.96 O ATOM 1248 OD2 ASP A 156 10.776 -3.724 -12.148 1.00 13.27 O ATOM 1249 H ASP A 156 10.779 -4.249 -8.360 1.00 0.00 H ATOM 1250 N GLY A 157 13.745 -2.905 -8.242 1.00 11.17 N ATOM 1251 CA GLY A 157 14.781 -1.893 -7.997 1.00 11.52 C ATOM 1252 C GLY A 157 14.513 -0.575 -8.703 1.00 12.04 C ATOM 1253 O GLY A 157 15.237 0.390 -8.491 1.00 11.63 O ATOM 1254 H GLY A 157 12.913 -2.915 -7.618 1.00 0.00 H ATOM 1255 N THR A 158 13.496 -0.534 -9.565 1.00 12.27 N ATOM 1256 CA THR A 158 13.160 0.705 -10.261 1.00 13.35 C ATOM 1257 C THR A 158 12.857 1.785 -9.222 1.00 12.47 C ATOM 1258 O THR A 158 12.109 1.536 -8.281 1.00 12.50 O ATOM 1259 CB THR A 158 11.917 0.512 -11.191 1.00 12.54 C ATOM 1260 OG1 THR A 158 12.223 -0.486 -12.189 1.00 17.83 O ATOM 1261 CG2 THR A 158 11.644 1.821 -11.920 1.00 15.78 C ATOM 1262 HG1 THR A 158 11.439 -0.611 -12.780 1.00 0.00 H ATOM 1263 H THR A 158 12.937 -1.393 -9.743 1.00 0.00 H ATOM 1264 N ARG A 159 13.418 2.978 -9.392 1.00 12.62 N ATOM 1265 CA ARG A 159 13.197 4.066 -8.434 1.00 12.89 C ATOM 1266 C ARG A 159 12.602 5.326 -9.051 1.00 14.15 C ATOM 1267 O ARG A 159 12.915 5.695 -10.191 1.00 13.77 O ATOM 1268 CB ARG A 159 14.490 4.439 -7.698 1.00 12.80 C ATOM 1269 CG ARG A 159 14.798 3.559 -6.477 1.00 11.87 C ATOM 1270 CD ARG A 159 16.157 3.957 -5.859 1.00 11.55 C ATOM 1271 NE ARG A 159 16.654 2.920 -4.974 1.00 11.75 N ATOM 1272 CZ ARG A 159 17.011 3.108 -3.710 1.00 13.33 C ATOM 1273 NH1 ARG A 159 16.936 4.315 -3.139 1.00 10.85 N ATOM 1274 NH2 ARG A 159 17.450 2.069 -3.016 1.00 14.90 N ATOM 1275 HE ARG A 159 16.737 1.958 -5.359 1.00 0.00 H ATOM 1276 HH12 ARG A 159 17.221 4.439 -2.147 1.00 0.00 H ATOM 1277 HH11 ARG A 159 16.593 5.129 -3.687 1.00 0.00 H ATOM 1278 HH22 ARG A 159 17.736 2.190 -2.023 1.00 0.00 H ATOM 1279 HH21 ARG A 159 17.509 1.132 -3.464 1.00 0.00 H ATOM 1280 H ARG A 159 14.025 3.143 -10.220 1.00 0.00 H ATOM 1281 N TYR A 160 11.736 5.974 -8.279 1.00 14.31 N ATOM 1282 CA TYR A 160 11.221 7.287 -8.643 1.00 15.72 C ATOM 1283 C TYR A 160 11.396 8.210 -7.460 1.00 16.15 C ATOM 1284 O TYR A 160 11.032 7.849 -6.338 1.00 16.18 O ATOM 1285 CB TYR A 160 9.750 7.193 -9.005 1.00 15.57 C ATOM 1286 CG TYR A 160 9.056 8.534 -9.081 1.00 15.78 C ATOM 1287 CD1 TYR A 160 9.122 9.298 -10.234 1.00 16.60 C ATOM 1288 CD2 TYR A 160 8.355 9.041 -7.991 1.00 16.47 C ATOM 1289 CE1 TYR A 160 8.489 10.525 -10.316 1.00 15.81 C ATOM 1290 CE2 TYR A 160 7.722 10.279 -8.055 1.00 16.00 C ATOM 1291 CZ TYR A 160 7.792 11.014 -9.229 1.00 15.67 C ATOM 1292 OH TYR A 160 7.170 12.241 -9.336 1.00 14.43 O ATOM 1293 HH TYR A 160 6.197 12.130 -9.190 1.00 0.00 H ATOM 1294 H TYR A 160 11.418 5.533 -7.393 1.00 0.00 H ATOM 1295 N SER A 161 11.939 9.401 -7.703 1.00 16.85 N ATOM 1296 CA SER A 161 12.198 10.343 -6.596 1.00 18.17 C ATOM 1297 C SER A 161 11.485 11.687 -6.798 1.00 18.66 C ATOM 1298 O SER A 161 11.270 12.125 -7.939 1.00 18.33 O ATOM 1299 CB SER A 161 13.701 10.591 -6.443 1.00 19.02 C ATOM 1300 OG SER A 161 14.345 9.466 -5.863 1.00 23.59 O ATOM 1301 HG SER A 161 13.959 9.291 -4.969 1.00 0.00 H ATOM 1302 H SER A 161 12.182 9.669 -8.678 1.00 0.00 H ATOM 1303 N LYS A 162 11.094 12.320 -5.696 1.00 18.31 N ATOM 1304 CA LYS A 162 10.547 13.677 -5.759 1.00 18.48 C ATOM 1305 C LYS A 162 10.771 14.381 -4.436 1.00 18.53 C ATOM 1306 O LYS A 162 10.938 13.727 -3.402 1.00 18.59 O ATOM 1307 CB LYS A 162 9.067 13.691 -6.161 1.00 19.08 C ATOM 1308 CG LYS A 162 8.094 13.152 -5.126 1.00 19.50 C ATOM 1309 CD LYS A 162 6.705 12.962 -5.724 1.00 23.86 C ATOM 1310 CE LYS A 162 5.974 14.274 -6.002 1.00 23.32 C ATOM 1311 NZ LYS A 162 4.533 14.078 -6.431 1.00 22.44 N ATOM 1312 HZ1 LYS A 162 4.506 13.513 -7.304 1.00 0.00 H ATOM 1313 HZ2 LYS A 162 4.013 13.582 -5.679 1.00 0.00 H ATOM 1314 HZ3 LYS A 162 4.095 15.005 -6.604 1.00 0.00 H ATOM 1315 H LYS A 162 11.178 11.844 -4.775 1.00 0.00 H ATOM 1316 N LYS A 163 10.829 15.708 -4.478 1.00 17.76 N ATOM 1317 CA LYS A 163 10.952 16.498 -3.258 1.00 17.74 C ATOM 1318 C LYS A 163 9.536 16.792 -2.788 1.00 16.42 C ATOM 1319 O LYS A 163 8.691 17.193 -3.572 1.00 17.20 O ATOM 1320 CB LYS A 163 11.730 17.801 -3.523 1.00 18.68 C ATOM 1321 CG LYS A 163 12.183 18.528 -2.266 1.00 22.48 C ATOM 1322 CD LYS A 163 12.830 19.927 -2.552 1.00 29.22 C ATOM 1323 CE LYS A 163 11.834 20.975 -3.160 1.00 33.30 C ATOM 1324 NZ LYS A 163 10.827 21.604 -2.211 1.00 34.08 N ATOM 1325 HZ1 LYS A 163 10.231 20.859 -1.797 1.00 0.00 H ATOM 1326 HZ2 LYS A 163 11.333 22.106 -1.454 1.00 0.00 H ATOM 1327 HZ3 LYS A 163 10.231 22.276 -2.735 1.00 0.00 H ATOM 1328 H LYS A 163 10.786 16.192 -5.397 1.00 0.00 H ATOM 1329 N GLY A 164 9.257 16.552 -1.517 1.00 15.96 N ATOM 1330 CA GLY A 164 7.936 16.882 -0.997 1.00 14.81 C ATOM 1331 C GLY A 164 7.748 16.489 0.445 1.00 15.23 C ATOM 1332 O GLY A 164 8.731 16.390 1.221 1.00 15.40 O ATOM 1333 H GLY A 164 9.975 16.131 -0.894 1.00 0.00 H ATOM 1334 N GLU A 165 6.491 16.263 0.819 1.00 14.20 N ATOM 1335 CA GLU A 165 6.164 15.818 2.185 1.00 14.72 C ATOM 1336 C GLU A 165 4.804 15.125 2.104 1.00 14.27 C ATOM 1337 O GLU A 165 4.030 15.392 1.169 1.00 13.64 O ATOM 1338 CB GLU A 165 6.155 17.002 3.159 1.00 14.86 C ATOM 1339 CG GLU A 165 5.758 16.668 4.621 1.00 17.74 C ATOM 1340 CD GLU A 165 6.689 15.659 5.275 1.00 20.68 C ATOM 1341 OE1 GLU A 165 7.715 16.099 5.850 1.00 20.03 O ATOM 1342 OE2 GLU A 165 6.399 14.421 5.222 1.00 20.62 O ATOM 1343 H GLU A 165 5.723 16.404 0.132 1.00 0.00 H ATOM 1344 N TYR A 166 4.531 14.213 3.036 1.00 14.07 N ATOM 1345 CA TYR A 166 3.208 13.582 3.139 1.00 14.35 C ATOM 1346 C TYR A 166 2.694 13.567 4.579 1.00 15.10 C ATOM 1347 O TYR A 166 1.533 13.325 4.814 1.00 14.52 O ATOM 1348 CB TYR A 166 3.214 12.154 2.561 1.00 14.88 C ATOM 1349 CG TYR A 166 4.154 11.226 3.294 1.00 15.54 C ATOM 1350 CD1 TYR A 166 3.731 10.507 4.416 1.00 17.62 C ATOM 1351 CD2 TYR A 166 5.480 11.081 2.880 1.00 17.43 C ATOM 1352 CE1 TYR A 166 4.620 9.662 5.102 1.00 16.63 C ATOM 1353 CE2 TYR A 166 6.359 10.254 3.554 1.00 19.11 C ATOM 1354 CZ TYR A 166 5.925 9.546 4.665 1.00 17.12 C ATOM 1355 OH TYR A 166 6.810 8.730 5.355 1.00 19.17 O ATOM 1356 HH TYR A 166 6.340 8.303 6.114 1.00 0.00 H ATOM 1357 H TYR A 166 5.275 13.940 3.709 1.00 0.00 H ATOM 1358 N ARG A 167 3.570 13.826 5.545 1.00 16.35 N ATOM 1359 CA ARG A 167 3.178 13.758 6.958 1.00 16.94 C ATOM 1360 C ARG A 167 2.470 15.037 7.381 1.00 18.90 C ATOM 1361 O ARG A 167 2.987 16.147 7.142 1.00 19.47 O ATOM 1362 CB ARG A 167 4.420 13.470 7.824 1.00 17.58 C ATOM 1363 CG ARG A 167 5.043 12.108 7.513 1.00 16.10 C ATOM 1364 CD ARG A 167 6.445 11.976 8.032 1.00 21.53 C ATOM 1365 NE ARG A 167 7.321 12.988 7.440 1.00 19.49 N ATOM 1366 CZ ARG A 167 8.566 13.211 7.841 1.00 22.25 C ATOM 1367 NH1 ARG A 167 9.088 12.483 8.831 1.00 20.88 N ATOM 1368 NH2 ARG A 167 9.296 14.152 7.253 1.00 21.86 N ATOM 1369 HE ARG A 167 6.946 13.565 6.660 1.00 0.00 H ATOM 1370 HH12 ARG A 167 10.064 12.657 9.146 1.00 0.00 H ATOM 1371 HH11 ARG A 167 8.519 11.742 9.287 1.00 0.00 H ATOM 1372 HH22 ARG A 167 10.272 14.326 7.568 1.00 0.00 H ATOM 1373 HH21 ARG A 167 8.892 14.715 6.477 1.00 0.00 H ATOM 1374 H ARG A 167 4.547 14.080 5.296 1.00 0.00 H ATOM 1375 N THR A 168 1.288 14.889 7.978 1.00 20.16 N ATOM 1376 CA THR A 168 0.478 16.028 8.405 1.00 22.38 C ATOM 1377 C THR A 168 0.443 16.207 9.917 1.00 24.50 C ATOM 1378 O THR A 168 -0.076 17.222 10.406 1.00 25.06 O ATOM 1379 CB THR A 168 -0.979 15.936 7.896 1.00 22.53 C ATOM 1380 OG1 THR A 168 -1.677 14.873 8.576 1.00 22.50 O ATOM 1381 CG2 THR A 168 -0.999 15.705 6.394 1.00 21.92 C ATOM 1382 HG1 THR A 168 -1.217 14.014 8.402 1.00 0.00 H ATOM 1383 H THR A 168 0.929 13.928 8.146 1.00 0.00 H ATOM 1384 N HIS A 169 0.984 15.234 10.647 1.00 26.10 N ATOM 1385 CA HIS A 169 1.039 15.274 12.123 1.00 28.78 C ATOM 1386 C HIS A 169 2.467 15.503 12.605 1.00 29.83 C ATOM 1387 O HIS A 169 3.399 14.831 12.149 1.00 29.94 O ATOM 1388 CB HIS A 169 0.483 13.976 12.722 1.00 28.59 C ATOM 1389 CG HIS A 169 -0.922 13.674 12.310 1.00 30.50 C ATOM 1390 ND1 HIS A 169 -2.015 14.184 12.975 1.00 32.40 N ATOM 1391 CD2 HIS A 169 -1.414 12.921 11.296 1.00 31.68 C ATOM 1392 CE1 HIS A 169 -3.120 13.756 12.391 1.00 33.82 C ATOM 1393 NE2 HIS A 169 -2.785 12.982 11.374 1.00 31.86 N ATOM 1394 H HIS A 169 1.386 14.409 10.157 1.00 0.00 H ATOM 1395 N GLN A 170 2.646 16.462 13.516 1.00 31.75 N ATOM 1396 CA GLN A 170 3.990 16.824 14.001 1.00 33.57 C ATOM 1397 C GLN A 170 4.713 15.673 14.712 1.00 34.19 C ATOM 1398 O GLN A 170 5.918 15.465 14.508 1.00 34.93 O ATOM 1399 CB GLN A 170 3.941 18.069 14.903 1.00 34.31 C ATOM 1400 CG GLN A 170 5.322 18.669 15.212 1.00 35.66 C ATOM 1401 CD GLN A 170 6.117 19.049 13.957 1.00 39.60 C ATOM 1402 OE1 GLN A 170 7.200 18.506 13.697 1.00 40.31 O ATOM 1403 NE2 GLN A 170 5.587 19.992 13.181 1.00 40.95 N ATOM 1404 HE22 GLN A 170 4.675 20.423 13.435 1.00 0.00 H ATOM 1405 HE21 GLN A 170 6.085 20.298 12.321 1.00 0.00 H ATOM 1406 H GLN A 170 1.818 16.966 13.892 1.00 0.00 H ATOM 1407 N GLU A 171 3.969 14.923 15.524 1.00 34.80 N ATOM 1408 CA GLU A 171 4.502 13.769 16.266 1.00 35.55 C ATOM 1409 C GLU A 171 5.160 12.756 15.322 1.00 34.73 C ATOM 1410 O GLU A 171 5.995 11.961 15.752 1.00 35.02 O ATOM 1411 CB GLU A 171 3.417 13.087 17.126 1.00 36.02 C ATOM 1412 CG GLU A 171 2.417 14.062 17.784 1.00 39.91 C ATOM 1413 CD GLU A 171 1.505 14.749 16.760 1.00 44.04 C ATOM 1414 OE1 GLU A 171 1.181 15.946 16.936 1.00 46.15 O ATOM 1415 OE2 GLU A 171 1.132 14.090 15.763 1.00 45.15 O ATOM 1416 H GLU A 171 2.964 15.164 15.639 1.00 0.00 H ATOM 1417 N ASP A 172 4.805 12.815 14.036 1.00 33.55 N ATOM 1418 CA ASP A 172 5.393 11.921 13.032 1.00 32.54 C ATOM 1419 C ASP A 172 6.665 12.444 12.340 1.00 33.17 C ATOM 1420 O ASP A 172 7.348 11.678 11.644 1.00 33.74 O ATOM 1421 CB ASP A 172 4.343 11.511 11.986 1.00 31.29 C ATOM 1422 CG ASP A 172 3.242 10.645 12.567 1.00 28.28 C ATOM 1423 OD1 ASP A 172 3.508 9.838 13.495 1.00 23.91 O ATOM 1424 OD2 ASP A 172 2.100 10.757 12.074 1.00 23.67 O ATOM 1425 H ASP A 172 4.093 13.513 13.738 1.00 0.00 H ATOM 1426 N ILE A 173 6.965 13.732 12.508 1.00 33.19 N ATOM 1427 CA ILE A 173 8.098 14.354 11.814 1.00 33.12 C ATOM 1428 C ILE A 173 9.336 14.503 12.700 1.00 33.22 C ATOM 1429 O ILE A 173 10.280 13.716 12.602 1.00 33.21 O ATOM 1430 CB ILE A 173 7.715 15.722 11.243 1.00 33.18 C ATOM 1431 CG1 ILE A 173 6.467 15.592 10.362 1.00 32.66 C ATOM 1432 CG2 ILE A 173 8.894 16.320 10.479 1.00 33.18 C ATOM 1433 CD1 ILE A 173 5.980 16.893 9.775 1.00 32.40 C ATOM 1434 H ILE A 173 6.382 14.310 13.146 1.00 0.00 H TER 1435 ILE A 173 HETATM 1436 O HOH 1 7.788 0.572 7.675 1.00 11.33 O HETATM 1437 O HOH 2 -4.412 -4.310 -8.646 1.00 10.90 O HETATM 1438 O HOH 3 -15.204 -2.971 2.319 1.00 16.02 O HETATM 1439 O HOH 4 -5.342 0.012 12.220 1.00 14.42 O HETATM 1440 O HOH 5 -5.898 -7.240 19.606 1.00 15.40 O HETATM 1441 O HOH 6 14.410 -3.118 -4.709 1.00 12.56 O HETATM 1442 O HOH 7 -5.975 -7.101 -13.519 1.00 15.21 O HETATM 1443 O HOH 8 -0.530 12.817 2.958 1.00 15.32 O HETATM 1444 O HOH 9 -14.416 -5.383 5.704 1.00 15.57 O HETATM 1445 O HOH 10 7.412 -8.579 -6.912 1.00 16.00 O HETATM 1446 O HOH 11 5.265 -6.391 20.472 1.00 13.11 O HETATM 1447 O HOH 12 6.126 -1.763 16.411 1.00 18.73 O HETATM 1448 O HOH 13 -4.749 -6.047 14.882 1.00 12.66 O HETATM 1449 O HOH 14 -5.926 -14.195 12.535 1.00 15.69 O HETATM 1450 O HOH 15 -6.708 -8.049 17.226 1.00 18.07 O HETATM 1451 O HOH 16 7.318 -3.445 -6.520 1.00 17.26 O HETATM 1452 O HOH 17 2.092 -11.612 -3.397 1.00 18.74 O HETATM 1453 O HOH 18 -14.825 -4.234 -0.125 1.00 25.14 O HETATM 1454 O HOH 19 14.980 -0.527 2.199 1.00 22.02 O HETATM 1455 O HOH 20 15.257 3.337 -12.266 1.00 17.11 O HETATM 1456 O HOH 21 15.033 -0.149 -0.564 1.00 19.78 O HETATM 1457 O HOH 22 7.134 -3.184 0.561 1.00 21.29 O HETATM 1458 O HOH 23 10.074 -1.293 -13.808 1.00 13.28 O HETATM 1459 O HOH 24 -0.622 2.545 -6.501 1.00 28.19 O HETATM 1460 O HOH 25 -10.421 1.323 1.999 1.00 17.31 O HETATM 1461 O HOH 26 11.909 -3.975 10.965 1.00 19.44 O HETATM 1462 O HOH 27 6.041 -7.107 -4.964 1.00 16.43 O HETATM 1463 O HOH 28 8.038 -9.460 11.158 1.00 21.81 O HETATM 1464 O HOH 29 2.363 -18.470 7.063 1.00 16.12 O HETATM 1465 O HOH 30 15.455 -2.354 -2.054 1.00 26.84 O HETATM 1466 O HOH 31 -5.359 -13.652 15.133 1.00 16.61 O HETATM 1467 O HOH 32 -11.169 -7.309 13.677 1.00 21.06 O HETATM 1468 O HOH 33 1.719 12.241 9.842 1.00 20.15 O HETATM 1469 O HOH 34 -10.744 4.080 -1.584 1.00 28.66 O HETATM 1470 O HOH 35 -9.891 -14.422 0.777 1.00 18.82 O HETATM 1471 O HOH 36 -4.434 -20.643 9.438 1.00 25.04 O HETATM 1472 O HOH 37 7.209 -9.223 2.890 1.00 18.28 O HETATM 1473 O HOH 38 5.542 16.670 -3.421 1.00 21.93 O HETATM 1474 O HOH 39 -8.437 -10.077 16.836 1.00 23.15 O HETATM 1475 O HOH 40 -7.938 -12.710 15.984 1.00 19.85 O HETATM 1476 O HOH 41 12.185 4.578 9.137 1.00 24.06 O HETATM 1477 O HOH 42 -7.471 5.720 5.036 1.00 22.41 O HETATM 1478 O HOH 43 -1.588 -0.244 -9.711 1.00 21.25 O HETATM 1479 O HOH 44 -5.706 7.672 4.040 1.00 24.25 O HETATM 1480 O HOH 45 -8.599 -14.598 5.803 1.00 19.64 O HETATM 1481 O HOH 46 2.413 16.271 -5.653 1.00 22.88 O HETATM 1482 O HOH 47 -13.498 -1.182 -3.162 1.00 20.22 O HETATM 1483 O HOH 48 -12.385 -3.583 7.860 1.00 24.28 O HETATM 1484 O HOH 49 14.375 -4.229 4.305 1.00 21.13 O HETATM 1485 O HOH 50 -6.610 -19.539 4.649 1.00 25.40 O HETATM 1486 O HOH 51 13.915 -4.564 8.936 1.00 22.23 O HETATM 1487 O HOH 52 -2.223 -13.098 21.812 1.00 28.14 O HETATM 1488 O HOH 53 16.073 -9.959 4.086 1.00 31.14 O HETATM 1489 O HOH 54 -4.065 -10.645 24.528 1.00 25.14 O HETATM 1490 O HOH 55 -8.870 -13.096 9.348 1.00 26.22 O HETATM 1491 O HOH 56 1.220 -7.131 -13.908 1.00 21.00 O HETATM 1492 O HOH 57 12.332 7.385 -12.170 1.00 31.35 O HETATM 1493 O HOH 58 5.505 7.065 11.898 1.00 26.30 O HETATM 1494 O HOH 59 8.256 19.939 -2.882 1.00 21.53 O HETATM 1495 O HOH 60 6.501 -7.267 1.158 1.00 27.67 O HETATM 1496 O HOH 61 3.843 -23.820 2.468 1.00 29.67 O HETATM 1497 O HOH 62 2.494 -11.581 20.002 1.00 24.96 O HETATM 1498 CAH UNN A 63 12.373 -5.819 1.422 1.00 -0.02 C HETATM 1499 CAG UNN A 63 12.832 -4.592 0.583 1.00 0.02 C HETATM 1500 CAN UNN A 63 11.845 -4.246 -0.398 1.00 -0.03 C HETATM 1501 CAD UNN A 63 12.215 -3.335 -1.408 1.00 -0.07 C HETATM 1502 CAB UNN A 63 11.293 -2.941 -2.388 1.00 -0.08 C HETATM 1503 CAC UNN A 63 9.999 -3.458 -2.378 1.00 -0.08 C HETATM 1504 CAE UNN A 63 9.613 -4.374 -1.384 1.00 -0.06 C HETATM 1505 CAO UNN A 63 10.520 -4.767 -0.381 1.00 0.00 C HETATM 1506 CAI UNN A 63 10.073 -5.704 0.607 1.00 0.00 C HETATM 1507 NAQ UNN A 63 10.943 -5.692 1.813 1.00 0.25 N HETATM 1508 CAJ UNN A 63 10.569 -6.769 2.760 1.00 -0.01 C HETATM 1509 CAP UNN A 63 11.385 -6.672 4.070 1.00 0.03 C HETATM 1510 NAL UNN A 63 11.350 -5.658 4.929 1.00 -0.33 N HETATM 1511 CAF UNN A 63 12.209 -5.944 5.922 1.00 0.08 C HETATM 1512 NAK UNN A 63 12.772 -7.141 5.676 1.00 -0.27 N HETATM 1513 CAM UNN A 63 12.259 -7.573 4.526 1.00 0.05 C HETATM 1514 CAA UNN A 63 12.623 -8.897 3.852 1.00 -0.02 C HETATM 1515 H UNN A 63 12.053 -9.001 2.917 1.00 0.04 H HETATM 1516 H UNN A 63 12.378 -9.731 4.526 1.00 0.04 H HETATM 1517 H UNN A 63 13.700 -8.911 3.628 1.00 0.04 H HETATM 1518 H UNN A 63 13.464 -7.628 6.263 1.00 0.23 H HETATM 1519 H UNN A 63 12.415 -5.311 6.784 1.00 0.11 H HETATM 1520 H UNN A 63 10.762 -7.744 2.289 1.00 0.09 H HETATM 1521 H UNN A 63 9.498 -6.682 2.997 1.00 0.09 H HETATM 1522 H UNN A 63 10.819 -4.807 2.280 1.00 0.21 H HETATM 1523 H UNN A 63 10.083 -6.714 0.171 1.00 0.10 H HETATM 1524 H UNN A 63 9.047 -5.444 0.906 1.00 0.10 H HETATM 1525 H UNN A 63 8.608 -4.781 -1.390 1.00 0.05 H HETATM 1526 H UNN A 63 9.289 -3.153 -3.138 1.00 0.05 H HETATM 1527 H UNN A 63 11.587 -2.233 -3.155 1.00 0.05 H HETATM 1528 H UNN A 63 13.222 -2.935 -1.427 1.00 0.05 H HETATM 1529 H UNN A 63 13.776 -4.836 0.074 1.00 0.05 H HETATM 1530 H UNN A 63 12.989 -3.735 1.254 1.00 0.05 H HETATM 1531 H UNN A 63 12.990 -5.885 2.330 1.00 0.08 H HETATM 1532 H UNN A 63 12.503 -6.733 0.824 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 86 85 1048 CONECT 335 334 955 CONECT 558 557 750 CONECT 750 558 749 CONECT 955 335 954 CONECT 1048 86 1047 CONECT 1498 1499 1507 1531 1532 CONECT 1499 1498 1500 1529 1530 CONECT 1500 1499 1501 1505 CONECT 1501 1500 1502 1528 CONECT 1502 1501 1503 1527 CONECT 1503 1502 1504 1526 CONECT 1504 1503 1505 1525 CONECT 1505 1500 1504 1506 CONECT 1506 1505 1507 1523 1524 CONECT 1507 1498 1506 1508 1522 CONECT 1508 1507 1509 1520 1521 CONECT 1509 1508 1510 1513 CONECT 1510 1509 1511 CONECT 1511 1510 1512 1519 CONECT 1512 1511 1513 1518 CONECT 1513 1509 1512 1514 CONECT 1514 1513 1515 1516 1517 CONECT 1515 1514 CONECT 1516 1514 CONECT 1517 1514 CONECT 1518 1512 CONECT 1519 1511 CONECT 1520 1508 CONECT 1521 1508 CONECT 1522 1507 CONECT 1523 1506 CONECT 1524 1506 CONECT 1525 1504 CONECT 1526 1503 CONECT 1527 1502 CONECT 1528 1501 CONECT 1529 1499 CONECT 1530 1499 CONECT 1531 1498 CONECT 1532 1498 MASTER 0 0 0 0 0 0 0 0 1531 1 45 12 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4np2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4mrd
RCSB PDB
PDBbind
149aa, >4MRD_1|Chain... at 100%
4mre
RCSB PDB
PDBbind
150aa, >4MRE_1|Chain... *
4mrf
RCSB PDB
PDBbind
150aa, >4MRF_1|Chain... at 100%
4mrg
RCSB PDB
PDBbind
150aa, >4MRG_1|Chain... at 100%
4mrh
RCSB PDB
PDBbind
150aa, >4MRH_1|Chain... at 100%
4np3
RCSB PDB
PDBbind
150aa, >4NP3_1|Chain... at 100%
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
4np2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
murine cd44 hyaluronan binding domain
Ligand Name
2L1
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=5.5mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2714-2725
Ligand Properties
Formula
C
1
4
H
1
8
N
3
Molecular Weight
228.313
Exact Mass
228.150
No. of atoms
35
No. of bonds
37
Polar Surface Area
33.12
LOGP Value
1.86 (
Computed with XLOGP3
)
2.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Cc1[nH]cnc1C[N@H+]1CCc2c(C1)cccc2
InChI String
InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)/p+1
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):
P15379
Entrez Gene ID
NCBI Entrez Gene ID:
12505
ASD
Information of known allosteric effects of PDB entries
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