Browse entries in the PDBbind-CN Database
HEADER 3UD5_COMPLEX COMPND 3UD5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 THR VAL ALA TYR ILE ALA ILE GLY SER ASN LEU ALA SER SEQRES 2 A 158 PRO LEU GLU GLN VAL ASN ALA ALA LEU LYS ALA LEU GLY SEQRES 3 A 158 ASP ILE PRO GLU SER HIS ILE LEU THR VAL SER SER PHE SEQRES 4 A 158 TYR ARG THR PRO PRO LEU GLY PRO GLN ASP GLN PRO ASP SEQRES 5 A 158 TYR LEU ASN ALA ALA VAL ALA LEU GLU THR SER LEU ALA SEQRES 6 A 158 PRO GLU GLU LEU LEU ASN HIS THR GLN ARG ILE GLU LEU SEQRES 7 A 158 GLN GLN GLY ARG VAL ARG LYS ALA GLU ARG TRP GLY PRO SEQRES 8 A 158 ARG THR LEU ASP LEU ASP ILE MET LEU PHE GLY ASN GLU SEQRES 9 A 158 VAL ILE ASN THR GLU ARG LEU THR VAL PRO HIS TYR ASP SEQRES 10 A 158 MET LYS ASN ARG GLY PHE MET LEU TRP PRO LEU PHE GLU SEQRES 11 A 158 ILE ALA PRO GLU LEU VAL PHE PRO ASP GLY GLU MET LEU SEQRES 12 A 158 ARG GLN ILE LEU HIS THR ARG ALA PHE ASP LYS LEU ASN SEQRES 13 A 158 LYS TRP HET J A 1A 76 ATOM 1 N THR A 1 34.680 -7.693 14.829 1.00 37.00 N ATOM 2 CA THR A 1 33.730 -6.612 15.202 1.00 35.36 C ATOM 3 C THR A 1 32.318 -7.139 15.127 1.00 34.54 C ATOM 4 O THR A 1 31.998 -7.877 14.205 1.00 26.01 O ATOM 5 CB THR A 1 33.843 -5.457 14.221 1.00 38.58 C ATOM 6 OG1 THR A 1 35.190 -4.966 14.221 1.00 50.14 O ATOM 7 CG2 THR A 1 32.875 -4.341 14.588 1.00 30.23 C ATOM 8 HA THR A 1 33.967 -6.275 16.211 1.00 0.00 H ATOM 9 HB THR A 1 33.585 -5.812 13.223 1.00 0.00 H ATOM 10 HG1 THR A 1 35.266 -4.213 13.582 1.00 0.00 H ATOM 11 HG23 THR A 1 31.856 -4.729 14.584 1.00 0.00 H ATOM 12 HG21 THR A 1 33.117 -3.964 15.582 1.00 0.00 H ATOM 13 HG22 THR A 1 32.961 -3.534 13.861 1.00 0.00 H ATOM 14 HN3 THR A 1 34.478 -8.011 13.860 1.00 0.00 H ATOM 15 HN2 THR A 1 34.571 -8.491 15.487 1.00 0.00 H ATOM 16 HN1 THR A 1 35.653 -7.330 14.880 1.00 0.00 H ATOM 17 N VAL A 2 31.472 -6.771 16.089 1.00 24.59 N ATOM 18 CA VAL A 2 30.079 -7.158 16.020 1.00 19.98 C ATOM 19 C VAL A 2 29.249 -6.022 15.471 1.00 25.06 C ATOM 20 O VAL A 2 29.184 -4.922 16.055 1.00 25.15 O ATOM 21 CB VAL A 2 29.531 -7.642 17.373 1.00 26.94 C ATOM 22 CG1 VAL A 2 28.088 -8.084 17.229 1.00 24.11 C ATOM 23 CG2 VAL A 2 30.368 -8.793 17.903 1.00 41.29 C ATOM 24 HA VAL A 2 30.011 -8.007 15.340 1.00 0.00 H ATOM 25 HB VAL A 2 29.581 -6.813 18.079 1.00 0.00 H ATOM 26 HG11 VAL A 2 27.486 -7.245 16.880 1.00 0.00 H ATOM 27 HG12 VAL A 2 28.029 -8.900 16.508 1.00 0.00 H ATOM 28 HG13 VAL A 2 27.715 -8.424 18.195 1.00 0.00 H ATOM 29 HG21 VAL A 2 30.339 -9.619 17.192 1.00 0.00 H ATOM 30 HG22 VAL A 2 31.398 -8.461 18.035 1.00 0.00 H ATOM 31 HG23 VAL A 2 29.965 -9.122 18.861 1.00 0.00 H ATOM 32 H VAL A 2 31.814 -6.204 16.891 1.00 0.00 H ATOM 33 N ALA A 3 28.594 -6.291 14.351 1.00 22.13 N ATOM 34 CA ALA A 3 27.712 -5.308 13.731 1.00 21.52 C ATOM 35 C ALA A 3 26.299 -5.778 13.993 1.00 19.36 C ATOM 36 O ALA A 3 26.036 -6.972 13.916 1.00 20.16 O ATOM 37 CB ALA A 3 28.005 -5.203 12.219 1.00 22.21 C ATOM 38 HA ALA A 3 27.864 -4.311 14.145 1.00 0.00 H ATOM 39 HB1 ALA A 3 29.040 -4.896 12.071 1.00 0.00 H ATOM 40 HB2 ALA A 3 27.842 -6.174 11.750 1.00 0.00 H ATOM 41 HB3 ALA A 3 27.339 -4.466 11.771 1.00 0.00 H ATOM 42 H ALA A 3 28.711 -7.223 13.904 1.00 0.00 H ATOM 43 N TYR A 4 25.404 -4.861 14.364 1.00 20.31 N ATOM 44 CA TYR A 4 23.981 -5.186 14.529 1.00 18.96 C ATOM 45 C TYR A 4 23.185 -4.602 13.353 1.00 26.31 C ATOM 46 O TYR A 4 23.285 -3.409 13.037 1.00 22.16 O ATOM 47 CB TYR A 4 23.423 -4.703 15.884 1.00 18.98 C ATOM 48 CG TYR A 4 24.040 -5.414 17.072 1.00 19.49 C ATOM 49 CD1 TYR A 4 23.501 -6.607 17.557 1.00 17.73 C ATOM 50 CD2 TYR A 4 25.158 -4.904 17.699 1.00 18.23 C ATOM 51 CE1 TYR A 4 24.079 -7.275 18.647 1.00 20.52 C ATOM 52 CE2 TYR A 4 25.737 -5.557 18.764 1.00 20.23 C ATOM 53 CZ TYR A 4 25.198 -6.754 19.224 1.00 17.74 C ATOM 54 OH TYR A 4 25.796 -7.367 20.299 1.00 21.38 O ATOM 55 HA TYR A 4 23.876 -6.271 14.529 1.00 0.00 H ATOM 56 HB3 TYR A 4 22.347 -4.876 15.897 1.00 0.00 H ATOM 57 HB2 TYR A 4 23.619 -3.635 15.979 1.00 0.00 H ATOM 58 HD2 TYR A 4 25.590 -3.968 17.345 1.00 0.00 H ATOM 59 HE2 TYR A 4 26.619 -5.136 19.247 1.00 0.00 H ATOM 60 HE1 TYR A 4 23.639 -8.197 19.027 1.00 0.00 H ATOM 61 HD1 TYR A 4 22.615 -7.027 17.080 1.00 0.00 H ATOM 62 HH TYR A 4 25.310 -8.202 20.514 1.00 0.00 H ATOM 63 H TYR A 4 25.723 -3.887 14.542 1.00 0.00 H ATOM 64 N ILE A 5 22.390 -5.448 12.701 1.00 18.95 N ATOM 65 CA ILE A 5 21.721 -5.069 11.453 1.00 16.37 C ATOM 66 C ILE A 5 20.238 -5.220 11.661 1.00 17.68 C ATOM 67 O ILE A 5 19.789 -6.206 12.219 1.00 20.01 O ATOM 68 CB ILE A 5 22.221 -5.915 10.281 1.00 18.88 C ATOM 69 CG1 ILE A 5 23.684 -5.599 10.029 1.00 24.30 C ATOM 70 CG2 ILE A 5 21.406 -5.691 9.012 1.00 18.58 C ATOM 71 CD1 ILE A 5 24.252 -6.341 8.859 1.00 34.72 C ATOM 72 HA ILE A 5 21.950 -4.034 11.200 1.00 0.00 H ATOM 73 HB ILE A 5 22.103 -6.965 10.549 1.00 0.00 H ATOM 74 HG12 ILE A 5 23.781 -4.530 9.842 1.00 0.00 H ATOM 75 HG13 ILE A 5 24.255 -5.864 10.919 1.00 0.00 H ATOM 76 HD11 ILE A 5 24.171 -7.413 9.036 1.00 0.00 H ATOM 77 HD12 ILE A 5 23.697 -6.077 7.959 1.00 0.00 H ATOM 78 HD13 ILE A 5 25.300 -6.071 8.733 1.00 0.00 H ATOM 79 HG21 ILE A 5 20.365 -5.956 9.199 1.00 0.00 H ATOM 80 HG22 ILE A 5 21.469 -4.642 8.722 1.00 0.00 H ATOM 81 HG23 ILE A 5 21.803 -6.315 8.212 1.00 0.00 H ATOM 82 H ILE A 5 22.240 -6.402 13.087 1.00 0.00 H ATOM 83 N ALA A 6 19.481 -4.214 11.257 1.00 15.91 N ATOM 84 CA ALA A 6 18.031 -4.261 11.324 1.00 17.07 C ATOM 85 C ALA A 6 17.472 -4.717 9.972 1.00 24.09 C ATOM 86 O ALA A 6 17.829 -4.153 8.942 1.00 22.80 O ATOM 87 CB ALA A 6 17.464 -2.901 11.696 1.00 14.69 C ATOM 88 HA ALA A 6 17.737 -4.972 12.096 1.00 0.00 H ATOM 89 HB1 ALA A 6 17.852 -2.601 12.669 1.00 0.00 H ATOM 90 HB2 ALA A 6 17.758 -2.168 10.945 1.00 0.00 H ATOM 91 HB3 ALA A 6 16.377 -2.962 11.740 1.00 0.00 H ATOM 92 H ALA A 6 19.939 -3.361 10.879 1.00 0.00 H ATOM 93 N ILE A 7 16.602 -5.733 9.985 1.00 17.26 N ATOM 94 CA ILE A 7 15.883 -6.159 8.791 1.00 22.02 C ATOM 95 C ILE A 7 14.434 -5.750 8.876 1.00 20.85 C ATOM 96 O ILE A 7 13.819 -5.886 9.923 1.00 23.60 O ATOM 97 CB ILE A 7 15.950 -7.700 8.609 1.00 21.81 C ATOM 98 CG1 ILE A 7 17.407 -8.154 8.582 1.00 39.34 C ATOM 99 CG2 ILE A 7 15.225 -8.103 7.332 1.00 34.00 C ATOM 100 CD1 ILE A 7 17.584 -9.666 8.333 1.00 50.00 C ATOM 101 HA ILE A 7 16.360 -5.677 7.938 1.00 0.00 H ATOM 102 HB ILE A 7 15.456 -8.189 9.449 1.00 0.00 H ATOM 103 HG12 ILE A 7 17.921 -7.612 7.788 1.00 0.00 H ATOM 104 HG13 ILE A 7 17.862 -7.908 9.542 1.00 0.00 H ATOM 105 HD11 ILE A 7 17.085 -10.224 9.125 1.00 0.00 H ATOM 106 HD12 ILE A 7 17.145 -9.928 7.370 1.00 0.00 H ATOM 107 HD13 ILE A 7 18.646 -9.910 8.328 1.00 0.00 H ATOM 108 HG21 ILE A 7 14.182 -7.793 7.395 1.00 0.00 H ATOM 109 HG22 ILE A 7 15.699 -7.619 6.478 1.00 0.00 H ATOM 110 HG23 ILE A 7 15.277 -9.185 7.212 1.00 0.00 H ATOM 111 H ILE A 7 16.433 -6.237 10.879 1.00 0.00 H ATOM 112 N GLY A 8 13.915 -5.154 7.806 1.00 18.51 N ATOM 113 CA GLY A 8 12.496 -4.895 7.656 1.00 18.22 C ATOM 114 C GLY A 8 11.974 -5.252 6.260 1.00 22.37 C ATOM 115 O GLY A 8 12.667 -5.080 5.259 1.00 20.53 O ATOM 116 HA3 GLY A 8 12.314 -3.836 7.836 1.00 0.00 H ATOM 117 HA2 GLY A 8 11.953 -5.487 8.393 1.00 0.00 H ATOM 118 H GLY A 8 14.556 -4.860 7.042 1.00 0.00 H ATOM 119 N SER A 9 10.755 -5.777 6.193 1.00 14.47 N ATOM 120 CA SER A 9 10.101 -6.049 4.920 1.00 23.38 C ATOM 121 C SER A 9 8.636 -5.761 5.105 1.00 20.06 C ATOM 122 O SER A 9 8.045 -6.220 6.068 1.00 20.62 O ATOM 123 CB SER A 9 10.255 -7.529 4.503 1.00 21.32 C ATOM 124 OG SER A 9 9.362 -7.781 3.419 1.00 21.32 O ATOM 125 HA SER A 9 10.554 -5.431 4.145 1.00 0.00 H ATOM 126 HB2 SER A 9 10.008 -8.177 5.344 1.00 0.00 H ATOM 127 HB3 SER A 9 11.281 -7.719 4.188 1.00 0.00 H ATOM 128 HG SER A 9 9.590 -7.187 2.660 1.00 0.00 H ATOM 129 H SER A 9 10.253 -6.000 7.076 1.00 0.00 H ATOM 130 N ASN A 10 8.029 -5.027 4.190 1.00 16.98 N ATOM 131 CA ASN A 10 6.602 -4.771 4.287 1.00 20.19 C ATOM 132 C ASN A 10 5.838 -5.439 3.153 1.00 22.95 C ATOM 133 O ASN A 10 4.806 -4.962 2.725 1.00 27.84 O ATOM 134 CB ASN A 10 6.304 -3.253 4.339 1.00 23.29 C ATOM 135 CG ASN A 10 6.625 -2.522 3.028 1.00 29.67 C ATOM 136 OD1 ASN A 10 7.488 -2.942 2.251 1.00 30.11 O ATOM 137 ND2 ASN A 10 5.941 -1.400 2.796 1.00 31.40 N ATOM 138 HA ASN A 10 6.256 -5.210 5.223 1.00 0.00 H ATOM 139 HB2 ASN A 10 5.246 -3.116 4.561 1.00 0.00 H ATOM 140 HB3 ASN A 10 6.901 -2.811 5.136 1.00 0.00 H ATOM 141 HD22 ASN A 10 5.222 -1.080 3.475 1.00 0.00 H ATOM 142 HD21 ASN A 10 6.127 -0.846 1.936 1.00 0.00 H ATOM 143 H ASN A 10 8.574 -4.631 3.398 1.00 0.00 H ATOM 144 N LEU A 11 6.345 -6.562 2.666 1.00 32.86 N ATOM 145 CA LEU A 11 5.546 -7.415 1.806 1.00 29.08 C ATOM 146 C LEU A 11 4.391 -8.028 2.585 1.00 23.56 C ATOM 147 O LEU A 11 4.528 -8.360 3.751 1.00 27.74 O ATOM 148 CB LEU A 11 6.394 -8.554 1.308 1.00 32.63 C ATOM 149 CG LEU A 11 7.183 -8.387 0.048 1.00 35.41 C ATOM 150 CD1 LEU A 11 8.089 -9.594 -0.066 1.00 44.27 C ATOM 151 CD2 LEU A 11 6.220 -8.280 -1.137 1.00 34.88 C ATOM 152 HA LEU A 11 5.168 -6.807 0.984 1.00 0.00 H ATOM 153 HB2 LEU A 11 7.105 -8.790 2.099 1.00 0.00 H ATOM 154 HB3 LEU A 11 5.728 -9.403 1.155 1.00 0.00 H ATOM 155 HG LEU A 11 7.786 -7.479 0.056 1.00 0.00 H ATOM 156 HD21 LEU A 11 5.619 -9.187 -1.198 1.00 0.00 H ATOM 157 HD22 LEU A 11 5.567 -7.419 -0.996 1.00 0.00 H ATOM 158 HD23 LEU A 11 6.791 -8.158 -2.058 1.00 0.00 H ATOM 159 HD11 LEU A 11 8.748 -9.635 0.801 1.00 0.00 H ATOM 160 HD12 LEU A 11 7.483 -10.499 -0.106 1.00 0.00 H ATOM 161 HD13 LEU A 11 8.686 -9.514 -0.975 1.00 0.00 H ATOM 162 H LEU A 11 7.321 -6.834 2.901 1.00 0.00 H ATOM 163 N ALA A 12 3.254 -8.197 1.924 1.00 28.43 N ATOM 164 CA ALA A 12 2.139 -8.962 2.473 1.00 41.35 C ATOM 165 C ALA A 12 2.588 -10.289 3.116 1.00 40.19 C ATOM 166 O ALA A 12 2.191 -10.592 4.239 1.00 38.67 O ATOM 167 CB ALA A 12 1.107 -9.229 1.382 1.00 45.08 C ATOM 168 HA ALA A 12 1.694 -8.360 3.266 1.00 0.00 H ATOM 169 HB1 ALA A 12 0.737 -8.280 0.994 1.00 0.00 H ATOM 170 HB2 ALA A 12 1.571 -9.797 0.576 1.00 0.00 H ATOM 171 HB3 ALA A 12 0.278 -9.800 1.800 1.00 0.00 H ATOM 172 H ALA A 12 3.153 -7.769 0.981 1.00 0.00 H ATOM 173 N SER A 13 3.403 -11.073 2.404 1.00 24.96 N ATOM 174 CA SER A 13 3.971 -12.295 2.958 1.00 27.58 C ATOM 175 C SER A 13 5.467 -12.187 2.915 1.00 29.93 C ATOM 176 O SER A 13 6.086 -12.538 1.922 1.00 28.17 O ATOM 177 CB SER A 13 3.524 -13.519 2.163 1.00 40.68 C ATOM 178 OG SER A 13 2.111 -13.617 2.164 1.00 44.90 O ATOM 179 HA SER A 13 3.624 -12.415 3.984 1.00 0.00 H ATOM 180 HB2 SER A 13 3.947 -14.416 2.615 1.00 0.00 H ATOM 181 HB3 SER A 13 3.878 -13.430 1.136 1.00 0.00 H ATOM 182 HG SER A 13 1.836 -14.414 1.645 1.00 0.00 H ATOM 183 H SER A 13 3.638 -10.803 1.427 1.00 0.00 H ATOM 184 N PRO A 14 6.059 -11.697 4.005 1.00 26.07 N ATOM 185 CA PRO A 14 7.470 -11.363 3.888 1.00 16.13 C ATOM 186 C PRO A 14 8.426 -12.428 4.334 1.00 21.34 C ATOM 187 O PRO A 14 9.625 -12.216 4.205 1.00 21.40 O ATOM 188 CB PRO A 14 7.588 -10.147 4.817 1.00 27.28 C ATOM 189 CG PRO A 14 6.600 -10.475 5.917 1.00 25.93 C ATOM 190 CD PRO A 14 5.455 -11.152 5.245 1.00 22.24 C ATOM 191 HA PRO A 14 7.741 -11.206 2.844 1.00 0.00 H ATOM 192 HD3 PRO A 14 5.054 -11.951 5.868 1.00 0.00 H ATOM 193 HD2 PRO A 14 4.662 -10.441 5.013 1.00 0.00 H ATOM 194 HG3 PRO A 14 6.265 -9.563 6.411 1.00 0.00 H ATOM 195 HG2 PRO A 14 7.056 -11.139 6.652 1.00 0.00 H ATOM 196 HB2 PRO A 14 8.599 -10.050 5.212 1.00 0.00 H ATOM 197 HB3 PRO A 14 7.311 -9.228 4.300 1.00 0.00 H ATOM 198 N LEU A 15 7.939 -13.555 4.848 1.00 21.52 N ATOM 199 CA LEU A 15 8.840 -14.524 5.436 1.00 21.53 C ATOM 200 C LEU A 15 9.897 -15.031 4.484 1.00 17.00 C ATOM 201 O LEU A 15 11.060 -15.145 4.860 1.00 20.39 O ATOM 202 CB LEU A 15 8.072 -15.723 6.017 1.00 27.88 C ATOM 203 CG LEU A 15 7.384 -15.433 7.353 1.00 32.27 C ATOM 204 CD1 LEU A 15 6.554 -16.652 7.754 1.00 36.07 C ATOM 205 CD2 LEU A 15 8.355 -15.080 8.455 1.00 23.79 C ATOM 206 HA LEU A 15 9.351 -13.984 6.233 1.00 0.00 H ATOM 207 HB2 LEU A 15 7.311 -16.024 5.297 1.00 0.00 H ATOM 208 HB3 LEU A 15 8.776 -16.542 6.164 1.00 0.00 H ATOM 209 HG LEU A 15 6.747 -14.559 7.215 1.00 0.00 H ATOM 210 HD21 LEU A 15 9.043 -15.911 8.611 1.00 0.00 H ATOM 211 HD22 LEU A 15 8.916 -14.190 8.172 1.00 0.00 H ATOM 212 HD23 LEU A 15 7.804 -14.886 9.375 1.00 0.00 H ATOM 213 HD11 LEU A 15 5.805 -16.848 6.987 1.00 0.00 H ATOM 214 HD12 LEU A 15 7.208 -17.518 7.855 1.00 0.00 H ATOM 215 HD13 LEU A 15 6.059 -16.456 8.705 1.00 0.00 H ATOM 216 H LEU A 15 6.916 -13.739 4.827 1.00 0.00 H ATOM 217 N GLU A 16 9.526 -15.358 3.252 1.00 24.50 N ATOM 218 CA GLU A 16 10.521 -15.905 2.337 1.00 20.92 C ATOM 219 C GLU A 16 11.511 -14.818 1.879 1.00 23.04 C ATOM 220 O GLU A 16 12.690 -15.097 1.685 1.00 21.36 O ATOM 221 CB GLU A 16 9.858 -16.676 1.188 1.00 22.20 C ATOM 222 CG GLU A 16 9.602 -18.150 1.574 1.00 18.85 C ATOM 223 CD GLU A 16 8.386 -18.764 0.914 1.00 42.05 C ATOM 224 OE1 GLU A 16 7.967 -18.277 -0.161 1.00 49.35 O ATOM 225 OE2 GLU A 16 7.852 -19.750 1.474 1.00 45.35 O ATOM 226 HA GLU A 16 11.122 -16.642 2.870 1.00 0.00 H ATOM 227 HB2 GLU A 16 8.907 -16.202 0.945 1.00 0.00 H ATOM 228 HB3 GLU A 16 10.511 -16.645 0.316 1.00 0.00 H ATOM 229 HG2 GLU A 16 10.477 -18.735 1.290 1.00 0.00 H ATOM 230 HG3 GLU A 16 9.467 -18.202 2.654 1.00 0.00 H ATOM 231 H GLU A 16 8.541 -15.226 2.944 1.00 0.00 H ATOM 232 N GLN A 17 11.063 -13.573 1.771 1.00 20.79 N ATOM 233 CA GLN A 17 12.017 -12.481 1.482 1.00 26.78 C ATOM 234 C GLN A 17 13.031 -12.329 2.628 1.00 18.68 C ATOM 235 O GLN A 17 14.227 -12.211 2.417 1.00 18.73 O ATOM 236 CB GLN A 17 11.290 -11.155 1.248 1.00 26.10 C ATOM 237 CG GLN A 17 12.244 -9.980 1.047 1.00 25.67 C ATOM 238 CD GLN A 17 11.595 -8.754 0.433 1.00 27.51 C ATOM 239 OE1 GLN A 17 10.749 -8.100 1.041 1.00 27.91 O ATOM 240 NE2 GLN A 17 12.023 -8.411 -0.770 1.00 25.51 N ATOM 241 HA GLN A 17 12.551 -12.744 0.569 1.00 0.00 H ATOM 242 HB2 GLN A 17 10.666 -11.252 0.359 1.00 0.00 H ATOM 243 HB3 GLN A 17 10.659 -10.947 2.112 1.00 0.00 H ATOM 244 HG2 GLN A 17 12.653 -9.701 2.018 1.00 0.00 H ATOM 245 HG3 GLN A 17 13.053 -10.304 0.392 1.00 0.00 H ATOM 246 HE22 GLN A 17 12.740 -8.990 -1.252 1.00 0.00 H ATOM 247 HE21 GLN A 17 11.643 -7.562 -1.235 1.00 0.00 H ATOM 248 H GLN A 17 10.050 -13.368 1.889 1.00 0.00 H ATOM 249 N VAL A 18 12.524 -12.332 3.847 1.00 20.91 N ATOM 250 CA VAL A 18 13.365 -12.166 5.020 1.00 12.21 C ATOM 251 C VAL A 18 14.339 -13.337 5.146 1.00 16.84 C ATOM 252 O VAL A 18 15.496 -13.132 5.488 1.00 22.31 O ATOM 253 CB VAL A 18 12.492 -12.011 6.263 1.00 19.18 C ATOM 254 CG1 VAL A 18 13.353 -12.052 7.535 1.00 20.97 C ATOM 255 CG2 VAL A 18 11.703 -10.690 6.186 1.00 18.74 C ATOM 256 HA VAL A 18 13.962 -11.260 4.916 1.00 0.00 H ATOM 257 HB VAL A 18 11.786 -12.841 6.304 1.00 0.00 H ATOM 258 HG11 VAL A 18 13.877 -13.006 7.587 1.00 0.00 H ATOM 259 HG12 VAL A 18 14.078 -11.239 7.508 1.00 0.00 H ATOM 260 HG13 VAL A 18 12.712 -11.940 8.410 1.00 0.00 H ATOM 261 HG21 VAL A 18 12.401 -9.854 6.129 1.00 0.00 H ATOM 262 HG22 VAL A 18 11.070 -10.698 5.299 1.00 0.00 H ATOM 263 HG23 VAL A 18 11.083 -10.586 7.076 1.00 0.00 H ATOM 264 H VAL A 18 11.499 -12.456 3.970 1.00 0.00 H ATOM 265 N ASN A 19 13.862 -14.561 4.895 1.00 19.55 N ATOM 266 CA ASN A 19 14.724 -15.754 4.908 1.00 23.01 C ATOM 267 C ASN A 19 15.860 -15.639 3.877 1.00 24.11 C ATOM 268 O ASN A 19 17.023 -15.919 4.171 1.00 19.19 O ATOM 269 CB ASN A 19 13.907 -17.036 4.638 1.00 22.69 C ATOM 270 CG ASN A 19 13.129 -17.538 5.869 1.00 52.65 C ATOM 271 OD1 ASN A 19 13.564 -17.393 7.020 1.00 38.61 O ATOM 272 ND2 ASN A 19 11.971 -18.145 5.618 1.00 62.04 N ATOM 273 HA ASN A 19 15.163 -15.818 5.904 1.00 0.00 H ATOM 274 HB2 ASN A 19 13.194 -16.830 3.839 1.00 0.00 H ATOM 275 HB3 ASN A 19 14.592 -17.821 4.318 1.00 0.00 H ATOM 276 HD22 ASN A 19 11.639 -18.247 4.638 1.00 0.00 H ATOM 277 HD21 ASN A 19 11.398 -18.517 6.402 1.00 0.00 H ATOM 278 H ASN A 19 12.850 -14.673 4.684 1.00 0.00 H ATOM 279 N ALA A 20 15.523 -15.195 2.669 1.00 18.45 N ATOM 280 CA ALA A 20 16.527 -14.981 1.642 1.00 18.20 C ATOM 281 C ALA A 20 17.564 -13.925 2.017 1.00 18.61 C ATOM 282 O ALA A 20 18.750 -14.063 1.686 1.00 19.31 O ATOM 283 CB ALA A 20 15.847 -14.632 0.337 1.00 17.72 C ATOM 284 HA ALA A 20 17.082 -15.913 1.534 1.00 0.00 H ATOM 285 HB1 ALA A 20 15.191 -15.451 0.040 1.00 0.00 H ATOM 286 HB2 ALA A 20 15.260 -13.723 0.467 1.00 0.00 H ATOM 287 HB3 ALA A 20 16.602 -14.472 -0.433 1.00 0.00 H ATOM 288 H ALA A 20 14.524 -14.998 2.457 1.00 0.00 H ATOM 289 N ALA A 21 17.139 -12.848 2.684 1.00 19.11 N ATOM 290 CA ALA A 21 18.085 -11.834 3.094 1.00 12.72 C ATOM 291 C ALA A 21 19.003 -12.356 4.195 1.00 18.75 C ATOM 292 O ALA A 21 20.191 -12.047 4.200 1.00 14.32 O ATOM 293 CB ALA A 21 17.335 -10.572 3.586 1.00 21.97 C ATOM 294 HA ALA A 21 18.698 -11.573 2.231 1.00 0.00 H ATOM 295 HB1 ALA A 21 16.718 -10.180 2.778 1.00 0.00 H ATOM 296 HB2 ALA A 21 16.702 -10.834 4.434 1.00 0.00 H ATOM 297 HB3 ALA A 21 18.059 -9.817 3.892 1.00 0.00 H ATOM 298 H ALA A 21 16.129 -12.739 2.908 1.00 0.00 H ATOM 299 N LEU A 22 18.462 -13.159 5.119 1.00 18.73 N ATOM 300 CA LEU A 22 19.293 -13.767 6.175 1.00 13.87 C ATOM 301 C LEU A 22 20.315 -14.743 5.579 1.00 13.47 C ATOM 302 O LEU A 22 21.482 -14.761 5.976 1.00 21.80 O ATOM 303 CB LEU A 22 18.432 -14.481 7.213 1.00 16.80 C ATOM 304 CG LEU A 22 17.609 -13.585 8.135 1.00 26.35 C ATOM 305 CD1 LEU A 22 16.483 -14.357 8.801 1.00 35.31 C ATOM 306 CD2 LEU A 22 18.508 -12.941 9.204 1.00 29.65 C ATOM 307 HA LEU A 22 19.832 -12.959 6.670 1.00 0.00 H ATOM 308 HB2 LEU A 22 17.741 -15.135 6.680 1.00 0.00 H ATOM 309 HB3 LEU A 22 19.093 -15.083 7.837 1.00 0.00 H ATOM 310 HG LEU A 22 17.166 -12.801 7.521 1.00 0.00 H ATOM 311 HD21 LEU A 22 18.981 -13.723 9.799 1.00 0.00 H ATOM 312 HD22 LEU A 22 19.275 -12.339 8.717 1.00 0.00 H ATOM 313 HD23 LEU A 22 17.903 -12.306 9.851 1.00 0.00 H ATOM 314 HD11 LEU A 22 15.823 -14.766 8.036 1.00 0.00 H ATOM 315 HD12 LEU A 22 16.902 -15.170 9.393 1.00 0.00 H ATOM 316 HD13 LEU A 22 15.919 -13.687 9.450 1.00 0.00 H ATOM 317 H LEU A 22 17.441 -13.357 5.092 1.00 0.00 H ATOM 318 N LYS A 23 19.880 -15.545 4.630 1.00 18.54 N ATOM 319 CA LYS A 23 20.817 -16.424 3.939 1.00 21.71 C ATOM 320 C LYS A 23 21.909 -15.574 3.263 1.00 22.30 C ATOM 321 O LYS A 23 23.084 -15.886 3.361 1.00 19.46 O ATOM 322 CB LYS A 23 20.107 -17.306 2.906 1.00 24.11 C ATOM 323 CG LYS A 23 21.044 -18.363 2.270 1.00 33.00 C ATOM 324 CD LYS A 23 20.411 -19.731 2.228 1.00 45.16 C ATOM 325 CE LYS A 23 21.363 -20.832 2.724 1.00 59.16 C ATOM 326 NZ LYS A 23 22.616 -20.947 1.934 1.00 63.58 N ATOM 327 HA LYS A 23 21.272 -17.089 4.673 1.00 0.00 H ATOM 328 HB2 LYS A 23 19.282 -17.822 3.397 1.00 0.00 H ATOM 329 HB3 LYS A 23 19.714 -16.668 2.114 1.00 0.00 H ATOM 330 HG2 LYS A 23 21.283 -18.054 1.252 1.00 0.00 H ATOM 331 HG3 LYS A 23 21.961 -18.418 2.856 1.00 0.00 H ATOM 332 HD2 LYS A 23 19.522 -19.726 2.859 1.00 0.00 H ATOM 333 HD3 LYS A 23 20.124 -19.953 1.200 1.00 0.00 H ATOM 334 HE2 LYS A 23 20.838 -21.786 2.677 1.00 0.00 H ATOM 335 HE3 LYS A 23 21.628 -20.616 3.759 1.00 0.00 H ATOM 336 HZ1 LYS A 23 22.382 -21.165 0.945 1.00 0.00 H ATOM 337 HZ2 LYS A 23 23.136 -20.047 1.978 1.00 0.00 H ATOM 338 HZ3 LYS A 23 23.204 -21.709 2.328 1.00 0.00 H ATOM 339 H LYS A 23 18.872 -15.552 4.374 1.00 0.00 H ATOM 340 N ALA A 24 21.525 -14.489 2.597 1.00 17.68 N ATOM 341 CA ALA A 24 22.522 -13.672 1.882 1.00 17.80 C ATOM 342 C ALA A 24 23.486 -12.979 2.861 1.00 16.01 C ATOM 343 O ALA A 24 24.680 -12.914 2.628 1.00 21.50 O ATOM 344 CB ALA A 24 21.839 -12.665 1.022 1.00 18.41 C ATOM 345 HA ALA A 24 23.112 -14.336 1.250 1.00 0.00 H ATOM 346 HB1 ALA A 24 21.209 -13.177 0.295 1.00 0.00 H ATOM 347 HB2 ALA A 24 21.224 -12.015 1.644 1.00 0.00 H ATOM 348 HB3 ALA A 24 22.587 -12.068 0.500 1.00 0.00 H ATOM 349 H ALA A 24 20.521 -14.217 2.581 1.00 0.00 H ATOM 350 N LEU A 25 22.964 -12.487 3.978 1.00 19.02 N ATOM 351 CA LEU A 25 23.817 -11.940 5.040 1.00 25.23 C ATOM 352 C LEU A 25 24.873 -12.917 5.576 1.00 23.88 C ATOM 353 O LEU A 25 26.017 -12.541 5.829 1.00 23.66 O ATOM 354 CB LEU A 25 22.945 -11.477 6.198 1.00 22.56 C ATOM 355 CG LEU A 25 22.166 -10.193 5.960 1.00 26.35 C ATOM 356 CD1 LEU A 25 21.237 -9.970 7.143 1.00 23.13 C ATOM 357 CD2 LEU A 25 23.127 -9.002 5.776 1.00 19.78 C ATOM 358 HA LEU A 25 24.364 -11.113 4.587 1.00 0.00 H ATOM 359 HB2 LEU A 25 22.229 -12.269 6.416 1.00 0.00 H ATOM 360 HB3 LEU A 25 23.590 -11.323 7.063 1.00 0.00 H ATOM 361 HG LEU A 25 21.578 -10.277 5.046 1.00 0.00 H ATOM 362 HD21 LEU A 25 23.735 -8.886 6.673 1.00 0.00 H ATOM 363 HD22 LEU A 25 23.774 -9.188 4.918 1.00 0.00 H ATOM 364 HD23 LEU A 25 22.549 -8.093 5.607 1.00 0.00 H ATOM 365 HD11 LEU A 25 20.551 -10.813 7.229 1.00 0.00 H ATOM 366 HD12 LEU A 25 21.827 -9.886 8.056 1.00 0.00 H ATOM 367 HD13 LEU A 25 20.669 -9.052 6.990 1.00 0.00 H ATOM 368 H LEU A 25 21.932 -12.489 4.103 1.00 0.00 H ATOM 369 N GLY A 26 24.478 -14.169 5.770 1.00 25.44 N ATOM 370 CA GLY A 26 25.406 -15.190 6.215 1.00 25.38 C ATOM 371 C GLY A 26 26.442 -15.566 5.171 1.00 30.22 C ATOM 372 O GLY A 26 27.443 -16.207 5.493 1.00 35.26 O ATOM 373 HA3 GLY A 26 24.838 -16.083 6.474 1.00 0.00 H ATOM 374 HA2 GLY A 26 25.926 -14.822 7.100 1.00 0.00 H ATOM 375 H GLY A 26 23.484 -14.423 5.600 1.00 0.00 H ATOM 376 N ASP A 27 26.219 -15.162 3.918 1.00 26.77 N ATOM 377 CA ASP A 27 27.179 -15.454 2.858 1.00 28.77 C ATOM 378 C ASP A 27 28.152 -14.318 2.583 1.00 29.41 C ATOM 379 O ASP A 27 28.990 -14.441 1.714 1.00 26.49 O ATOM 380 CB ASP A 27 26.458 -15.839 1.568 1.00 37.06 C ATOM 381 CG ASP A 27 25.810 -17.210 1.653 1.00 44.96 C ATOM 382 OD1 ASP A 27 26.283 -18.050 2.458 1.00 45.72 O ATOM 383 OD2 ASP A 27 24.820 -17.429 0.924 1.00 43.43 O ATOM 384 HA ASP A 27 27.772 -16.294 3.220 1.00 0.00 H ATOM 385 HB2 ASP A 27 25.685 -15.098 1.364 1.00 0.00 H ATOM 386 HB3 ASP A 27 27.180 -15.843 0.751 1.00 0.00 H ATOM 387 H ASP A 27 25.352 -14.633 3.695 1.00 0.00 H ATOM 388 N ILE A 28 28.022 -13.206 3.299 1.00 26.72 N ATOM 389 CA ILE A 28 28.946 -12.081 3.173 1.00 19.12 C ATOM 390 C ILE A 28 30.339 -12.530 3.610 1.00 26.63 C ATOM 391 O ILE A 28 30.487 -13.176 4.637 1.00 20.94 O ATOM 392 CB ILE A 28 28.468 -10.855 4.014 1.00 23.52 C ATOM 393 CG1 ILE A 28 27.144 -10.332 3.462 1.00 20.10 C ATOM 394 CG2 ILE A 28 29.513 -9.723 4.025 1.00 25.19 C ATOM 395 CD1 ILE A 28 26.499 -9.265 4.319 1.00 21.04 C ATOM 396 HA ILE A 28 28.976 -11.762 2.131 1.00 0.00 H ATOM 397 HB ILE A 28 28.333 -11.191 5.042 1.00 0.00 H ATOM 398 HG12 ILE A 28 27.326 -9.913 2.472 1.00 0.00 H ATOM 399 HG13 ILE A 28 26.452 -11.170 3.379 1.00 0.00 H ATOM 400 HD11 ILE A 28 26.297 -9.670 5.311 1.00 0.00 H ATOM 401 HD12 ILE A 28 27.173 -8.412 4.403 1.00 0.00 H ATOM 402 HD13 ILE A 28 25.564 -8.947 3.858 1.00 0.00 H ATOM 403 HG21 ILE A 28 30.443 -10.093 4.458 1.00 0.00 H ATOM 404 HG22 ILE A 28 29.694 -9.387 3.004 1.00 0.00 H ATOM 405 HG23 ILE A 28 29.139 -8.891 4.621 1.00 0.00 H ATOM 406 H ILE A 28 27.234 -13.134 3.974 1.00 0.00 H ATOM 407 N PRO A 29 31.367 -12.199 2.815 1.00 29.43 N ATOM 408 CA PRO A 29 32.760 -12.594 3.059 1.00 33.10 C ATOM 409 C PRO A 29 33.281 -12.159 4.409 1.00 26.35 C ATOM 410 O PRO A 29 32.916 -11.069 4.868 1.00 31.64 O ATOM 411 CB PRO A 29 33.534 -11.838 1.968 1.00 36.06 C ATOM 412 CG PRO A 29 32.547 -11.622 0.890 1.00 43.59 C ATOM 413 CD PRO A 29 31.226 -11.437 1.562 1.00 27.12 C ATOM 414 HA PRO A 29 32.864 -13.679 3.041 1.00 0.00 H ATOM 415 HD3 PRO A 29 31.037 -10.383 1.766 1.00 0.00 H ATOM 416 HD2 PRO A 29 30.418 -11.838 0.950 1.00 0.00 H ATOM 417 HG3 PRO A 29 32.516 -12.487 0.227 1.00 0.00 H ATOM 418 HG2 PRO A 29 32.805 -10.734 0.314 1.00 0.00 H ATOM 419 HB2 PRO A 29 33.903 -10.886 2.348 1.00 0.00 H ATOM 420 HB3 PRO A 29 34.373 -12.434 1.608 1.00 0.00 H ATOM 421 N GLU A 30 34.152 -12.973 5.003 1.00 23.59 N ATOM 422 CA GLU A 30 34.807 -12.660 6.276 1.00 25.69 C ATOM 423 C GLU A 30 33.801 -12.266 7.351 1.00 39.06 C ATOM 424 O GLU A 30 34.118 -11.473 8.226 1.00 29.52 O ATOM 425 CB GLU A 30 35.794 -11.516 6.116 1.00 43.15 C ATOM 426 CG GLU A 30 36.677 -11.629 4.889 1.00 56.92 C ATOM 427 CD GLU A 30 38.100 -11.215 5.184 1.00 78.69 C ATOM 428 OE1 GLU A 30 38.819 -12.017 5.822 1.00 74.86 O ATOM 429 OE2 GLU A 30 38.490 -10.088 4.795 1.00 66.36 O ATOM 430 HA GLU A 30 35.327 -13.568 6.582 1.00 0.00 H ATOM 431 HB2 GLU A 30 35.232 -10.585 6.049 1.00 0.00 H ATOM 432 HB3 GLU A 30 36.434 -11.490 6.998 1.00 0.00 H ATOM 433 HG2 GLU A 30 36.674 -12.663 4.545 1.00 0.00 H ATOM 434 HG3 GLU A 30 36.277 -10.986 4.105 1.00 0.00 H ATOM 435 H GLU A 30 34.379 -13.876 4.540 1.00 0.00 H ATOM 436 N SER A 31 32.589 -12.815 7.272 1.00 30.09 N ATOM 437 CA SER A 31 31.529 -12.481 8.223 1.00 27.69 C ATOM 438 C SER A 31 30.736 -13.719 8.572 1.00 33.21 C ATOM 439 O SER A 31 30.749 -14.700 7.832 1.00 29.47 O ATOM 440 CB SER A 31 30.562 -11.460 7.625 1.00 28.30 C ATOM 441 OG SER A 31 31.235 -10.312 7.155 1.00 19.72 O ATOM 442 HA SER A 31 32.004 -12.065 9.112 1.00 0.00 H ATOM 443 HB2 SER A 31 29.846 -11.161 8.391 1.00 0.00 H ATOM 444 HB3 SER A 31 30.030 -11.922 6.794 1.00 0.00 H ATOM 445 HG SER A 31 31.883 -10.575 6.454 1.00 0.00 H ATOM 446 H SER A 31 32.392 -13.499 6.514 1.00 0.00 H ATOM 447 N HIS A 32 30.017 -13.675 9.685 1.00 26.69 N ATOM 448 CA HIS A 32 29.054 -14.733 9.973 1.00 23.46 C ATOM 449 C HIS A 32 28.079 -14.333 11.037 1.00 23.71 C ATOM 450 O HIS A 32 28.410 -13.567 11.950 1.00 25.69 O ATOM 451 CB HIS A 32 29.738 -16.055 10.337 1.00 36.86 C ATOM 452 CG HIS A 32 30.471 -16.026 11.633 1.00 34.05 C ATOM 453 ND1 HIS A 32 31.679 -15.386 11.783 1.00 30.76 N ATOM 454 CD2 HIS A 32 30.167 -16.562 12.843 1.00 42.69 C ATOM 455 CE1 HIS A 32 32.096 -15.529 13.035 1.00 45.06 C ATOM 456 NE2 HIS A 32 31.192 -16.228 13.699 1.00 39.64 N ATOM 457 HA HIS A 32 28.495 -14.892 9.051 1.00 0.00 H ATOM 458 HB2 HIS A 32 28.975 -16.831 10.393 1.00 0.00 H ATOM 459 HB3 HIS A 32 30.448 -16.302 9.548 1.00 0.00 H ATOM 460 HD2 HIS A 32 29.280 -17.146 13.090 1.00 0.00 H ATOM 461 HE1 HIS A 32 33.026 -15.137 13.446 1.00 0.00 H ATOM 462 H HIS A 32 30.139 -12.887 10.353 1.00 0.00 H ATOM 463 N ILE A 33 26.860 -14.825 10.881 1.00 18.84 N ATOM 464 CA ILE A 33 25.772 -14.494 11.799 1.00 21.81 C ATOM 465 C ILE A 33 25.952 -15.145 13.159 1.00 21.16 C ATOM 466 O ILE A 33 26.167 -16.352 13.248 1.00 26.93 O ATOM 467 CB ILE A 33 24.443 -14.963 11.210 1.00 16.12 C ATOM 468 CG1 ILE A 33 24.136 -14.205 9.906 1.00 17.10 C ATOM 469 CG2 ILE A 33 23.357 -14.769 12.209 1.00 17.21 C ATOM 470 CD1 ILE A 33 22.968 -14.792 9.096 1.00 26.97 C ATOM 471 HA ILE A 33 25.780 -13.412 11.932 1.00 0.00 H ATOM 472 HB ILE A 33 24.510 -16.024 10.971 1.00 0.00 H ATOM 473 HG12 ILE A 33 23.892 -13.173 10.159 1.00 0.00 H ATOM 474 HG13 ILE A 33 25.029 -14.223 9.281 1.00 0.00 H ATOM 475 HD11 ILE A 33 23.199 -15.821 8.822 1.00 0.00 H ATOM 476 HD12 ILE A 33 22.061 -14.770 9.700 1.00 0.00 H ATOM 477 HD13 ILE A 33 22.819 -14.199 8.194 1.00 0.00 H ATOM 478 HG21 ILE A 33 23.581 -15.348 13.105 1.00 0.00 H ATOM 479 HG22 ILE A 33 23.287 -13.712 12.467 1.00 0.00 H ATOM 480 HG23 ILE A 33 22.411 -15.105 11.785 1.00 0.00 H ATOM 481 H ILE A 33 26.671 -15.465 10.083 1.00 0.00 H ATOM 482 N LEU A 34 25.868 -14.353 14.214 1.00 19.28 N ATOM 483 CA LEU A 34 25.978 -14.875 15.561 1.00 19.89 C ATOM 484 C LEU A 34 24.612 -15.220 16.131 1.00 20.77 C ATOM 485 O LEU A 34 24.451 -16.238 16.769 1.00 23.26 O ATOM 486 CB LEU A 34 26.697 -13.890 16.474 1.00 21.91 C ATOM 487 CG LEU A 34 28.163 -13.570 16.165 1.00 23.11 C ATOM 488 CD1 LEU A 34 28.585 -12.371 16.924 1.00 35.82 C ATOM 489 CD2 LEU A 34 29.094 -14.730 16.486 1.00 28.03 C ATOM 490 HA LEU A 34 26.568 -15.790 15.509 1.00 0.00 H ATOM 491 HB2 LEU A 34 26.145 -12.951 16.439 1.00 0.00 H ATOM 492 HB3 LEU A 34 26.658 -14.296 17.485 1.00 0.00 H ATOM 493 HG LEU A 34 28.233 -13.383 15.093 1.00 0.00 H ATOM 494 HD21 LEU A 34 29.019 -14.971 17.546 1.00 0.00 H ATOM 495 HD22 LEU A 34 28.808 -15.599 15.893 1.00 0.00 H ATOM 496 HD23 LEU A 34 30.120 -14.448 16.248 1.00 0.00 H ATOM 497 HD11 LEU A 34 27.962 -11.523 16.638 1.00 0.00 H ATOM 498 HD12 LEU A 34 28.474 -12.561 17.992 1.00 0.00 H ATOM 499 HD13 LEU A 34 29.628 -12.149 16.700 1.00 0.00 H ATOM 500 H LEU A 34 25.720 -13.333 14.074 1.00 0.00 H ATOM 501 N THR A 35 23.622 -14.385 15.858 1.00 23.20 N ATOM 502 CA THR A 35 22.305 -14.588 16.431 1.00 18.41 C ATOM 503 C THR A 35 21.278 -13.723 15.718 1.00 20.44 C ATOM 504 O THR A 35 21.596 -12.646 15.211 1.00 18.83 O ATOM 505 CB THR A 35 22.323 -14.301 17.948 1.00 23.01 C ATOM 506 OG1 THR A 35 21.129 -14.802 18.550 1.00 19.63 O ATOM 507 CG2 THR A 35 22.464 -12.811 18.230 1.00 16.95 C ATOM 508 HA THR A 35 22.020 -15.631 16.293 1.00 0.00 H ATOM 509 HB THR A 35 23.188 -14.807 18.378 1.00 0.00 H ATOM 510 HG1 THR A 35 21.071 -15.779 18.402 1.00 0.00 H ATOM 511 HG23 THR A 35 23.378 -12.440 17.766 1.00 0.00 H ATOM 512 HG21 THR A 35 21.605 -12.282 17.818 1.00 0.00 H ATOM 513 HG22 THR A 35 22.510 -12.649 19.307 1.00 0.00 H ATOM 514 H THR A 35 23.790 -13.576 15.227 1.00 0.00 H ATOM 515 N VAL A 36 20.049 -14.219 15.664 1.00 15.78 N ATOM 516 CA VAL A 36 18.948 -13.528 14.990 1.00 19.61 C ATOM 517 C VAL A 36 17.811 -13.377 16.017 1.00 29.14 C ATOM 518 O VAL A 36 17.463 -14.341 16.697 1.00 15.43 O ATOM 519 CB VAL A 36 18.408 -14.333 13.754 1.00 17.14 C ATOM 520 CG1 VAL A 36 17.218 -13.600 13.087 1.00 13.00 C ATOM 521 CG2 VAL A 36 19.510 -14.576 12.742 1.00 21.62 C ATOM 522 HA VAL A 36 19.306 -12.567 14.621 1.00 0.00 H ATOM 523 HB VAL A 36 18.055 -15.298 14.118 1.00 0.00 H ATOM 524 HG11 VAL A 36 16.410 -13.488 13.810 1.00 0.00 H ATOM 525 HG12 VAL A 36 17.543 -12.616 12.748 1.00 0.00 H ATOM 526 HG13 VAL A 36 16.866 -14.182 12.235 1.00 0.00 H ATOM 527 HG21 VAL A 36 19.900 -13.619 12.394 1.00 0.00 H ATOM 528 HG22 VAL A 36 20.312 -15.148 13.210 1.00 0.00 H ATOM 529 HG23 VAL A 36 19.109 -15.135 11.897 1.00 0.00 H ATOM 530 H VAL A 36 19.860 -15.135 16.118 1.00 0.00 H ATOM 531 N SER A 37 17.243 -12.178 16.145 1.00 17.15 N ATOM 532 CA SER A 37 16.112 -11.988 17.032 1.00 21.28 C ATOM 533 C SER A 37 14.929 -12.770 16.482 1.00 19.22 C ATOM 534 O SER A 37 15.019 -13.340 15.410 1.00 16.59 O ATOM 535 CB SER A 37 15.760 -10.489 17.140 1.00 12.66 C ATOM 536 OG SER A 37 14.995 -10.084 16.001 1.00 13.73 O ATOM 537 HA SER A 37 16.361 -12.348 18.030 1.00 0.00 H ATOM 538 HB2 SER A 37 16.679 -9.904 17.185 1.00 0.00 H ATOM 539 HB3 SER A 37 15.178 -10.319 18.046 1.00 0.00 H ATOM 540 HG SER A 37 14.160 -10.614 15.961 1.00 0.00 H ATOM 541 H SER A 37 17.614 -11.371 15.604 1.00 0.00 H ATOM 542 N SER A 38 13.847 -12.854 17.257 1.00 20.00 N ATOM 543 CA SER A 38 12.562 -13.300 16.752 1.00 18.57 C ATOM 544 C SER A 38 12.096 -12.342 15.663 1.00 22.43 C ATOM 545 O SER A 38 12.675 -11.276 15.493 1.00 15.84 O ATOM 546 CB SER A 38 11.509 -13.324 17.879 1.00 28.36 C ATOM 547 OG SER A 38 11.927 -14.125 18.981 1.00 22.23 O ATOM 548 HA SER A 38 12.675 -14.308 16.354 1.00 0.00 H ATOM 549 HB2 SER A 38 10.578 -13.728 17.483 1.00 0.00 H ATOM 550 HB3 SER A 38 11.342 -12.305 18.227 1.00 0.00 H ATOM 551 HG SER A 38 12.770 -13.761 19.351 1.00 0.00 H ATOM 552 H SER A 38 13.927 -12.590 18.260 1.00 0.00 H ATOM 553 N PHE A 39 11.043 -12.730 14.948 1.00 18.77 N ATOM 554 CA PHE A 39 10.453 -11.897 13.916 1.00 16.57 C ATOM 555 C PHE A 39 9.231 -11.291 14.513 1.00 19.98 C ATOM 556 O PHE A 39 8.419 -11.980 15.124 1.00 19.14 O ATOM 557 CB PHE A 39 10.001 -12.722 12.688 1.00 17.32 C ATOM 558 CG PHE A 39 11.116 -13.366 11.917 1.00 17.58 C ATOM 559 CD1 PHE A 39 12.444 -12.994 12.100 1.00 17.03 C ATOM 560 CD2 PHE A 39 10.826 -14.336 10.974 1.00 31.15 C ATOM 561 CE1 PHE A 39 13.449 -13.570 11.355 1.00 21.65 C ATOM 562 CE2 PHE A 39 11.835 -14.926 10.234 1.00 27.25 C ATOM 563 CZ PHE A 39 13.143 -14.549 10.427 1.00 29.08 C ATOM 564 HA PHE A 39 11.190 -11.166 13.584 1.00 0.00 H ATOM 565 HB2 PHE A 39 9.331 -13.508 13.035 1.00 0.00 H ATOM 566 HB3 PHE A 39 9.461 -12.058 12.013 1.00 0.00 H ATOM 567 HD2 PHE A 39 9.791 -14.639 10.812 1.00 0.00 H ATOM 568 HE2 PHE A 39 11.593 -15.691 9.497 1.00 0.00 H ATOM 569 HZ PHE A 39 13.938 -15.021 9.849 1.00 0.00 H ATOM 570 HE1 PHE A 39 14.483 -13.255 11.496 1.00 0.00 H ATOM 571 HD1 PHE A 39 12.692 -12.236 12.843 1.00 0.00 H ATOM 572 H PHE A 39 10.627 -13.665 15.136 1.00 0.00 H ATOM 573 N TYR A 40 9.116 -9.984 14.319 1.00 17.79 N ATOM 574 CA TYR A 40 8.066 -9.180 14.890 1.00 18.35 C ATOM 575 C TYR A 40 7.251 -8.521 13.825 1.00 23.97 C ATOM 576 O TYR A 40 7.771 -8.090 12.789 1.00 21.32 O ATOM 577 CB TYR A 40 8.662 -8.111 15.794 1.00 23.09 C ATOM 578 CG TYR A 40 9.431 -8.685 16.970 1.00 18.34 C ATOM 579 CD1 TYR A 40 8.775 -9.027 18.136 1.00 25.65 C ATOM 580 CD2 TYR A 40 10.803 -8.883 16.908 1.00 18.12 C ATOM 581 CE1 TYR A 40 9.463 -9.523 19.227 1.00 20.72 C ATOM 582 CE2 TYR A 40 11.507 -9.384 17.975 1.00 16.17 C ATOM 583 CZ TYR A 40 10.820 -9.695 19.153 1.00 36.81 C ATOM 584 OH TYR A 40 11.449 -10.201 20.267 1.00 20.71 O ATOM 585 HA TYR A 40 7.419 -9.839 15.469 1.00 0.00 H ATOM 586 HB3 TYR A 40 7.852 -7.491 16.178 1.00 0.00 H ATOM 587 HB2 TYR A 40 9.340 -7.496 15.203 1.00 0.00 H ATOM 588 HD2 TYR A 40 11.335 -8.635 15.990 1.00 0.00 H ATOM 589 HE2 TYR A 40 12.584 -9.537 17.905 1.00 0.00 H ATOM 590 HE1 TYR A 40 8.928 -9.776 20.142 1.00 0.00 H ATOM 591 HD1 TYR A 40 7.694 -8.903 18.197 1.00 0.00 H ATOM 592 HH TYR A 40 11.884 -11.060 20.037 1.00 0.00 H ATOM 593 H TYR A 40 9.824 -9.513 13.721 1.00 0.00 H ATOM 594 N ARG A 41 5.962 -8.453 14.100 1.00 24.10 N ATOM 595 CA ARG A 41 5.008 -7.779 13.247 1.00 21.78 C ATOM 596 C ARG A 41 4.653 -6.403 13.829 1.00 26.42 C ATOM 597 O ARG A 41 4.120 -6.309 14.922 1.00 25.72 O ATOM 598 CB ARG A 41 3.745 -8.608 13.149 1.00 17.80 C ATOM 599 CG ARG A 41 2.556 -7.805 12.684 1.00 34.94 C ATOM 600 CD ARG A 41 1.801 -8.514 11.613 1.00 29.93 C ATOM 601 NE ARG A 41 1.709 -9.926 11.931 1.00 57.31 N ATOM 602 CZ ARG A 41 1.293 -10.855 11.084 1.00 61.26 C ATOM 603 NH1 ARG A 41 0.904 -10.507 9.858 1.00 49.13 N ATOM 604 NH2 ARG A 41 1.263 -12.131 11.475 1.00 47.81 N ATOM 605 HA ARG A 41 5.451 -7.651 12.260 1.00 0.00 H ATOM 606 HB2 ARG A 41 3.915 -9.421 12.443 1.00 0.00 H ATOM 607 HB3 ARG A 41 3.523 -9.023 14.132 1.00 0.00 H ATOM 608 HG2 ARG A 41 1.892 -7.633 13.531 1.00 0.00 H ATOM 609 HG3 ARG A 41 2.905 -6.848 12.297 1.00 0.00 H ATOM 610 HD2 ARG A 41 2.318 -8.390 10.662 1.00 0.00 H ATOM 611 HD3 ARG A 41 0.798 -8.093 11.537 1.00 0.00 H ATOM 612 HE ARG A 41 1.988 -10.229 12.886 1.00 0.00 H ATOM 613 HH12 ARG A 41 0.577 -11.234 9.190 1.00 0.00 H ATOM 614 HH11 ARG A 41 0.928 -9.508 9.569 1.00 0.00 H ATOM 615 HH22 ARG A 41 0.938 -12.869 10.818 1.00 0.00 H ATOM 616 HH21 ARG A 41 1.565 -12.387 12.437 1.00 0.00 H ATOM 617 H ARG A 41 5.616 -8.905 14.970 1.00 0.00 H ATOM 618 N THR A 42 4.939 -5.348 13.084 1.00 18.56 N ATOM 619 CA THR A 42 4.722 -3.995 13.542 1.00 19.04 C ATOM 620 C THR A 42 3.891 -3.202 12.544 1.00 29.18 C ATOM 621 O THR A 42 4.069 -3.333 11.342 1.00 28.20 O ATOM 622 CB THR A 42 6.065 -3.315 13.811 1.00 26.73 C ATOM 623 OG1 THR A 42 6.819 -3.225 12.602 1.00 30.10 O ATOM 624 CG2 THR A 42 6.882 -4.146 14.802 1.00 27.85 C ATOM 625 HA THR A 42 4.158 -4.029 14.474 1.00 0.00 H ATOM 626 HB THR A 42 5.867 -2.322 14.214 1.00 0.00 H ATOM 627 HG1 THR A 42 7.686 -2.784 12.787 1.00 0.00 H ATOM 628 HG23 THR A 42 6.333 -4.235 15.739 1.00 0.00 H ATOM 629 HG21 THR A 42 7.055 -5.138 14.386 1.00 0.00 H ATOM 630 HG22 THR A 42 7.838 -3.655 14.984 1.00 0.00 H ATOM 631 H THR A 42 5.335 -5.498 12.134 1.00 0.00 H ATOM 632 N PRO A 43 2.973 -2.362 13.039 1.00 34.62 N ATOM 633 CA PRO A 43 2.214 -1.460 12.159 1.00 32.92 C ATOM 634 C PRO A 43 3.150 -0.504 11.437 1.00 29.23 C ATOM 635 O PRO A 43 4.169 -0.113 12.009 1.00 31.32 O ATOM 636 CB PRO A 43 1.362 -0.635 13.127 1.00 46.20 C ATOM 637 CG PRO A 43 1.541 -1.237 14.458 1.00 38.98 C ATOM 638 CD PRO A 43 2.788 -2.043 14.460 1.00 44.38 C ATOM 639 HA PRO A 43 1.644 -2.010 11.410 1.00 0.00 H ATOM 640 HD3 PRO A 43 3.628 -1.466 14.845 1.00 0.00 H ATOM 641 HD2 PRO A 43 2.669 -2.949 15.054 1.00 0.00 H ATOM 642 HG3 PRO A 43 0.690 -1.879 14.687 1.00 0.00 H ATOM 643 HG2 PRO A 43 1.613 -0.450 15.209 1.00 0.00 H ATOM 644 HB2 PRO A 43 1.697 0.402 13.134 1.00 0.00 H ATOM 645 HB3 PRO A 43 0.313 -0.674 12.833 1.00 0.00 H ATOM 646 N PRO A 44 2.794 -0.081 10.217 1.00 31.57 N ATOM 647 CA PRO A 44 3.683 0.868 9.536 1.00 54.46 C ATOM 648 C PRO A 44 3.652 2.262 10.186 1.00 50.51 C ATOM 649 O PRO A 44 2.611 2.656 10.712 1.00 51.41 O ATOM 650 CB PRO A 44 3.118 0.924 8.105 1.00 50.60 C ATOM 651 CG PRO A 44 1.770 0.192 8.147 1.00 53.56 C ATOM 652 CD PRO A 44 1.478 -0.182 9.561 1.00 47.56 C ATOM 653 HA PRO A 44 4.727 0.557 9.581 1.00 0.00 H ATOM 654 HD3 PRO A 44 0.764 0.509 10.009 1.00 0.00 H ATOM 655 HD2 PRO A 44 1.087 -1.197 9.624 1.00 0.00 H ATOM 656 HG3 PRO A 44 1.820 -0.706 7.532 1.00 0.00 H ATOM 657 HG2 PRO A 44 0.984 0.846 7.770 1.00 0.00 H ATOM 658 HB2 PRO A 44 2.976 1.959 7.795 1.00 0.00 H ATOM 659 HB3 PRO A 44 3.796 0.428 7.411 1.00 0.00 H ATOM 660 N LEU A 45 4.781 2.971 10.179 1.00 57.83 N ATOM 661 CA LEU A 45 4.803 4.396 10.507 1.00 58.61 C ATOM 662 C LEU A 45 3.882 5.125 9.529 1.00 69.13 C ATOM 663 O LEU A 45 4.018 4.958 8.314 1.00 63.78 O ATOM 664 CB LEU A 45 6.224 4.959 10.371 1.00 45.19 C ATOM 665 CG LEU A 45 7.296 4.545 11.381 1.00 57.13 C ATOM 666 CD1 LEU A 45 8.668 5.106 11.002 1.00 38.57 C ATOM 667 CD2 LEU A 45 6.910 5.007 12.772 1.00 49.03 C ATOM 668 HA LEU A 45 4.470 4.537 11.535 1.00 0.00 H ATOM 669 HB2 LEU A 45 6.588 4.669 9.385 1.00 0.00 H ATOM 670 HB3 LEU A 45 6.142 6.045 10.422 1.00 0.00 H ATOM 671 HG LEU A 45 7.364 3.457 11.370 1.00 0.00 H ATOM 672 HD21 LEU A 45 6.812 6.093 12.779 1.00 0.00 H ATOM 673 HD22 LEU A 45 5.959 4.554 13.053 1.00 0.00 H ATOM 674 HD23 LEU A 45 7.681 4.706 13.481 1.00 0.00 H ATOM 675 HD11 LEU A 45 8.954 4.730 10.020 1.00 0.00 H ATOM 676 HD12 LEU A 45 8.619 6.195 10.976 1.00 0.00 H ATOM 677 HD13 LEU A 45 9.405 4.792 11.742 1.00 0.00 H ATOM 678 H LEU A 45 5.673 2.496 9.933 1.00 0.00 H ATOM 679 N GLY A 46 2.943 5.915 10.041 1.00 61.22 N ATOM 680 CA GLY A 46 2.065 6.688 9.176 1.00 54.38 C ATOM 681 C GLY A 46 0.807 5.973 8.694 1.00 77.24 C ATOM 682 O GLY A 46 0.153 5.282 9.483 1.00 62.24 O ATOM 683 HA3 GLY A 46 2.638 6.985 8.298 1.00 0.00 H ATOM 684 HA2 GLY A 46 1.755 7.578 9.724 1.00 0.00 H ATOM 685 H GLY A 46 2.835 5.981 11.073 1.00 0.00 H ATOM 686 N PRO A 47 0.456 6.143 7.395 1.00 89.95 N ATOM 687 CA PRO A 47 -0.813 5.640 6.849 1.00 79.55 C ATOM 688 C PRO A 47 -1.049 4.206 7.270 1.00 77.14 C ATOM 689 O PRO A 47 -0.190 3.354 7.057 1.00 68.32 O ATOM 690 CB PRO A 47 -0.614 5.731 5.330 1.00 87.89 C ATOM 691 CG PRO A 47 0.382 6.799 5.137 1.00 94.60 C ATOM 692 CD PRO A 47 1.291 6.758 6.346 1.00 92.37 C ATOM 693 HA PRO A 47 -1.677 6.204 7.200 1.00 0.00 H ATOM 694 HD3 PRO A 47 2.174 6.151 6.147 1.00 0.00 H ATOM 695 HD2 PRO A 47 1.599 7.763 6.634 1.00 0.00 H ATOM 696 HG3 PRO A 47 -0.112 7.768 5.069 1.00 0.00 H ATOM 697 HG2 PRO A 47 0.955 6.620 4.227 1.00 0.00 H ATOM 698 HB2 PRO A 47 -0.243 4.785 4.935 1.00 0.00 H ATOM 699 HB3 PRO A 47 -1.551 5.987 4.836 1.00 0.00 H ATOM 700 N GLN A 48 -2.201 3.942 7.868 1.00 64.23 N ATOM 701 CA GLN A 48 -2.441 2.635 8.452 1.00 83.22 C ATOM 702 C GLN A 48 -3.117 1.683 7.479 1.00 88.26 C ATOM 703 O GLN A 48 -3.292 0.499 7.779 1.00 92.31 O ATOM 704 CB GLN A 48 -3.252 2.769 9.739 1.00 84.44 C ATOM 705 CG GLN A 48 -2.413 3.222 10.923 1.00 99.63 C ATOM 706 CD GLN A 48 -1.147 2.393 11.091 1.00 89.57 C ATOM 707 OE1 GLN A 48 -1.183 1.160 11.050 1.00 83.99 O ATOM 708 NE2 GLN A 48 -0.017 3.071 11.269 1.00 77.24 N ATOM 709 HA GLN A 48 -1.470 2.202 8.691 1.00 0.00 H ATOM 710 HB2 GLN A 48 -4.046 3.498 9.576 1.00 0.00 H ATOM 711 HB3 GLN A 48 -3.693 1.800 9.975 1.00 0.00 H ATOM 712 HG2 GLN A 48 -2.132 4.264 10.774 1.00 0.00 H ATOM 713 HG3 GLN A 48 -3.011 3.135 11.830 1.00 0.00 H ATOM 714 HE22 GLN A 48 -0.033 4.110 11.297 1.00 0.00 H ATOM 715 HE21 GLN A 48 0.883 2.562 11.380 1.00 0.00 H ATOM 716 H GLN A 48 -2.937 4.675 7.919 1.00 0.00 H ATOM 717 N ASP A 49 -3.492 2.197 6.313 1.00 89.56 N ATOM 718 CA ASP A 49 -3.970 1.333 5.240 1.00 83.88 C ATOM 719 C ASP A 49 -2.817 0.446 4.723 1.00 73.42 C ATOM 720 O ASP A 49 -3.054 -0.619 4.145 1.00 56.32 O ATOM 721 CB ASP A 49 -4.646 2.144 4.107 1.00 83.33 C ATOM 722 CG ASP A 49 -4.031 3.536 3.904 1.00 88.50 C ATOM 723 OD1 ASP A 49 -4.358 4.465 4.681 1.00 80.48 O ATOM 724 OD2 ASP A 49 -3.242 3.711 2.948 1.00 68.24 O ATOM 725 HA ASP A 49 -4.743 0.677 5.640 1.00 0.00 H ATOM 726 HB2 ASP A 49 -4.550 1.584 3.176 1.00 0.00 H ATOM 727 HB3 ASP A 49 -5.702 2.264 4.350 1.00 0.00 H ATOM 728 H ASP A 49 -3.444 3.225 6.164 1.00 0.00 H ATOM 729 N GLN A 50 -1.574 0.874 4.974 1.00 74.86 N ATOM 730 CA GLN A 50 -0.372 0.177 4.484 1.00 68.98 C ATOM 731 C GLN A 50 -0.127 -1.168 5.168 1.00 57.28 C ATOM 732 O GLN A 50 -0.629 -1.410 6.267 1.00 61.06 O ATOM 733 CB GLN A 50 0.869 1.062 4.670 1.00 63.66 C ATOM 734 CG GLN A 50 0.791 2.381 3.942 1.00 77.18 C ATOM 735 CD GLN A 50 0.281 2.223 2.521 1.00 77.74 C ATOM 736 OE1 GLN A 50 -0.920 2.053 2.298 1.00 64.68 O ATOM 737 NE2 GLN A 50 1.193 2.268 1.552 1.00 81.49 N ATOM 738 HA GLN A 50 -0.551 -0.022 3.427 1.00 0.00 H ATOM 739 HB2 GLN A 50 0.992 1.263 5.734 1.00 0.00 H ATOM 740 HB3 GLN A 50 1.738 0.517 4.302 1.00 0.00 H ATOM 741 HG2 GLN A 50 0.117 3.043 4.486 1.00 0.00 H ATOM 742 HG3 GLN A 50 1.786 2.824 3.911 1.00 0.00 H ATOM 743 HE22 GLN A 50 2.195 2.414 1.788 1.00 0.00 H ATOM 744 HE21 GLN A 50 0.903 2.158 0.559 1.00 0.00 H ATOM 745 H GLN A 50 -1.451 1.737 5.540 1.00 0.00 H ATOM 746 N PRO A 51 0.673 -2.039 4.528 1.00 44.36 N ATOM 747 CA PRO A 51 0.914 -3.372 5.074 1.00 48.27 C ATOM 748 C PRO A 51 1.807 -3.317 6.315 1.00 36.45 C ATOM 749 O PRO A 51 2.602 -2.384 6.472 1.00 40.19 O ATOM 750 CB PRO A 51 1.601 -4.121 3.915 1.00 50.80 C ATOM 751 CG PRO A 51 1.800 -3.112 2.820 1.00 43.63 C ATOM 752 CD PRO A 51 1.554 -1.761 3.385 1.00 63.22 C ATOM 753 HA PRO A 51 -0.001 -3.862 5.407 1.00 0.00 H ATOM 754 HD3 PRO A 51 2.485 -1.296 3.711 1.00 0.00 H ATOM 755 HD2 PRO A 51 1.062 -1.115 2.658 1.00 0.00 H ATOM 756 HG3 PRO A 51 1.100 -3.306 2.007 1.00 0.00 H ATOM 757 HG2 PRO A 51 2.820 -3.174 2.441 1.00 0.00 H ATOM 758 HB2 PRO A 51 2.562 -4.520 4.240 1.00 0.00 H ATOM 759 HB3 PRO A 51 0.969 -4.938 3.566 1.00 0.00 H ATOM 760 N ASP A 52 1.653 -4.298 7.195 1.00 42.64 N ATOM 761 CA ASP A 52 2.516 -4.408 8.358 1.00 36.92 C ATOM 762 C ASP A 52 3.934 -4.687 7.924 1.00 42.36 C ATOM 763 O ASP A 52 4.185 -5.146 6.807 1.00 35.91 O ATOM 764 CB ASP A 52 2.050 -5.529 9.279 1.00 31.06 C ATOM 765 CG ASP A 52 0.757 -5.195 10.009 1.00 50.40 C ATOM 766 OD1 ASP A 52 0.417 -3.993 10.101 1.00 37.16 O ATOM 767 OD2 ASP A 52 0.092 -6.140 10.485 1.00 39.99 O ATOM 768 HA ASP A 52 2.472 -3.463 8.899 1.00 0.00 H ATOM 769 HB2 ASP A 52 1.891 -6.427 8.682 1.00 0.00 H ATOM 770 HB3 ASP A 52 2.828 -5.719 10.018 1.00 0.00 H ATOM 771 H ASP A 52 0.901 -5.001 7.049 1.00 0.00 H ATOM 772 N TYR A 53 4.863 -4.403 8.818 1.00 23.93 N ATOM 773 CA TYR A 53 6.255 -4.742 8.582 1.00 26.90 C ATOM 774 C TYR A 53 6.628 -5.964 9.401 1.00 17.59 C ATOM 775 O TYR A 53 6.182 -6.135 10.523 1.00 21.63 O ATOM 776 CB TYR A 53 7.165 -3.606 9.023 1.00 33.00 C ATOM 777 CG TYR A 53 7.477 -2.572 7.989 1.00 31.18 C ATOM 778 CD1 TYR A 53 6.584 -1.544 7.710 1.00 30.77 C ATOM 779 CD2 TYR A 53 8.699 -2.583 7.328 1.00 22.58 C ATOM 780 CE1 TYR A 53 6.889 -0.578 6.789 1.00 27.72 C ATOM 781 CE2 TYR A 53 9.018 -1.617 6.408 1.00 33.20 C ATOM 782 CZ TYR A 53 8.110 -0.619 6.135 1.00 33.96 C ATOM 783 OH TYR A 53 8.432 0.333 5.205 1.00 31.68 O ATOM 784 HA TYR A 53 6.378 -4.930 7.515 1.00 0.00 H ATOM 785 HB3 TYR A 53 8.108 -4.043 9.352 1.00 0.00 H ATOM 786 HB2 TYR A 53 6.686 -3.103 9.863 1.00 0.00 H ATOM 787 HD2 TYR A 53 9.417 -3.374 7.544 1.00 0.00 H ATOM 788 HE2 TYR A 53 9.981 -1.639 5.898 1.00 0.00 H ATOM 789 HE1 TYR A 53 6.176 0.218 6.572 1.00 0.00 H ATOM 790 HD1 TYR A 53 5.628 -1.506 8.232 1.00 0.00 H ATOM 791 HH TYR A 53 7.684 0.976 5.121 1.00 0.00 H ATOM 792 H TYR A 53 4.594 -3.930 9.704 1.00 0.00 H ATOM 793 N LEU A 54 7.465 -6.805 8.823 1.00 18.47 N ATOM 794 CA LEU A 54 8.229 -7.764 9.586 1.00 16.63 C ATOM 795 C LEU A 54 9.577 -7.109 9.925 1.00 20.38 C ATOM 796 O LEU A 54 10.318 -6.694 9.038 1.00 18.73 O ATOM 797 CB LEU A 54 8.392 -9.065 8.786 1.00 15.52 C ATOM 798 CG LEU A 54 8.934 -10.283 9.543 1.00 22.58 C ATOM 799 CD1 LEU A 54 8.864 -11.531 8.689 1.00 24.06 C ATOM 800 CD2 LEU A 54 10.376 -10.032 9.971 1.00 26.76 C ATOM 801 HA LEU A 54 7.721 -8.036 10.512 1.00 0.00 H ATOM 802 HB2 LEU A 54 7.413 -9.333 8.390 1.00 0.00 H ATOM 803 HB3 LEU A 54 9.073 -8.861 7.960 1.00 0.00 H ATOM 804 HG LEU A 54 8.314 -10.436 10.426 1.00 0.00 H ATOM 805 HD21 LEU A 54 10.990 -9.855 9.088 1.00 0.00 H ATOM 806 HD22 LEU A 54 10.414 -9.159 10.622 1.00 0.00 H ATOM 807 HD23 LEU A 54 10.751 -10.903 10.508 1.00 0.00 H ATOM 808 HD11 LEU A 54 7.827 -11.724 8.414 1.00 0.00 H ATOM 809 HD12 LEU A 54 9.460 -11.387 7.788 1.00 0.00 H ATOM 810 HD13 LEU A 54 9.255 -12.378 9.253 1.00 0.00 H ATOM 811 H LEU A 54 7.577 -6.776 7.789 1.00 0.00 H ATOM 812 N ASN A 55 9.870 -7.006 11.222 1.00 18.81 N ATOM 813 CA ASN A 55 11.149 -6.532 11.726 1.00 14.29 C ATOM 814 C ASN A 55 11.933 -7.549 12.533 1.00 15.35 C ATOM 815 O ASN A 55 11.360 -8.273 13.347 1.00 19.84 O ATOM 816 CB ASN A 55 10.919 -5.323 12.631 1.00 17.49 C ATOM 817 CG ASN A 55 10.639 -4.042 11.823 1.00 22.72 C ATOM 818 OD1 ASN A 55 9.567 -3.452 11.921 1.00 24.41 O ATOM 819 ND2 ASN A 55 11.599 -3.630 11.032 1.00 19.72 N ATOM 820 HA ASN A 55 11.735 -6.298 10.837 1.00 0.00 H ATOM 821 HB2 ASN A 55 10.065 -5.525 13.278 1.00 0.00 H ATOM 822 HB3 ASN A 55 11.808 -5.167 13.242 1.00 0.00 H ATOM 823 HD22 ASN A 55 12.492 -4.160 10.979 1.00 0.00 H ATOM 824 HD21 ASN A 55 11.468 -2.773 10.457 1.00 0.00 H ATOM 825 H ASN A 55 9.142 -7.280 11.912 1.00 0.00 H ATOM 826 N ALA A 56 13.251 -7.525 12.363 1.00 14.76 N ATOM 827 CA ALA A 56 14.165 -8.348 13.146 1.00 16.45 C ATOM 828 C ALA A 56 15.521 -7.704 13.227 1.00 17.00 C ATOM 829 O ALA A 56 15.835 -6.835 12.441 1.00 22.40 O ATOM 830 CB ALA A 56 14.316 -9.734 12.550 1.00 15.89 C ATOM 831 HA ALA A 56 13.738 -8.438 14.145 1.00 0.00 H ATOM 832 HB1 ALA A 56 13.343 -10.226 12.526 1.00 0.00 H ATOM 833 HB2 ALA A 56 14.708 -9.651 11.536 1.00 0.00 H ATOM 834 HB3 ALA A 56 15.005 -10.318 13.161 1.00 0.00 H ATOM 835 H ALA A 56 13.648 -6.891 11.640 1.00 0.00 H ATOM 836 N ALA A 57 16.315 -8.153 14.184 1.00 12.70 N ATOM 837 CA ALA A 57 17.691 -7.744 14.370 1.00 13.42 C ATOM 838 C ALA A 57 18.617 -8.919 14.201 1.00 16.46 C ATOM 839 O ALA A 57 18.271 -10.048 14.555 1.00 17.62 O ATOM 840 CB ALA A 57 17.880 -7.181 15.782 1.00 18.73 C ATOM 841 HA ALA A 57 17.923 -6.983 13.625 1.00 0.00 H ATOM 842 HB1 ALA A 57 17.226 -6.320 15.919 1.00 0.00 H ATOM 843 HB2 ALA A 57 17.630 -7.949 16.514 1.00 0.00 H ATOM 844 HB3 ALA A 57 18.918 -6.876 15.914 1.00 0.00 H ATOM 845 H ALA A 57 15.923 -8.849 14.850 1.00 0.00 H ATOM 846 N VAL A 58 19.817 -8.650 13.715 1.00 13.48 N ATOM 847 CA VAL A 58 20.795 -9.682 13.443 1.00 17.56 C ATOM 848 C VAL A 58 22.110 -9.202 13.979 1.00 23.85 C ATOM 849 O VAL A 58 22.512 -8.054 13.719 1.00 18.06 O ATOM 850 CB VAL A 58 21.020 -9.909 11.946 1.00 21.80 C ATOM 851 CG1 VAL A 58 22.196 -10.817 11.744 1.00 20.73 C ATOM 852 CG2 VAL A 58 19.764 -10.416 11.286 1.00 19.63 C ATOM 853 HA VAL A 58 20.431 -10.605 13.894 1.00 0.00 H ATOM 854 HB VAL A 58 21.254 -8.961 11.462 1.00 0.00 H ATOM 855 HG11 VAL A 58 23.085 -10.360 12.179 1.00 0.00 H ATOM 856 HG12 VAL A 58 22.003 -11.773 12.230 1.00 0.00 H ATOM 857 HG13 VAL A 58 22.352 -10.975 10.677 1.00 0.00 H ATOM 858 HG21 VAL A 58 19.470 -11.360 11.745 1.00 0.00 H ATOM 859 HG22 VAL A 58 18.967 -9.684 11.415 1.00 0.00 H ATOM 860 HG23 VAL A 58 19.950 -10.569 10.223 1.00 0.00 H ATOM 861 H VAL A 58 20.068 -7.660 13.521 1.00 0.00 H ATOM 862 N ALA A 59 22.770 -10.072 14.736 1.00 15.26 N ATOM 863 CA ALA A 59 24.136 -9.834 15.148 1.00 16.38 C ATOM 864 C ALA A 59 25.106 -10.532 14.163 1.00 14.16 C ATOM 865 O ALA A 59 25.055 -11.737 14.009 1.00 22.88 O ATOM 866 CB ALA A 59 24.345 -10.343 16.562 1.00 13.47 C ATOM 867 HA ALA A 59 24.339 -8.763 15.136 1.00 0.00 H ATOM 868 HB1 ALA A 59 23.669 -9.821 17.239 1.00 0.00 H ATOM 869 HB2 ALA A 59 24.140 -11.413 16.596 1.00 0.00 H ATOM 870 HB3 ALA A 59 25.376 -10.160 16.864 1.00 0.00 H ATOM 871 H ALA A 59 22.293 -10.945 15.040 1.00 0.00 H ATOM 872 N LEU A 60 26.029 -9.771 13.583 1.00 16.31 N ATOM 873 CA LEU A 60 26.941 -10.292 12.549 1.00 16.60 C ATOM 874 C LEU A 60 28.374 -9.992 12.975 1.00 23.87 C ATOM 875 O LEU A 60 28.758 -8.824 13.096 1.00 24.68 O ATOM 876 CB LEU A 60 26.651 -9.651 11.175 1.00 19.68 C ATOM 877 CG LEU A 60 27.526 -10.147 10.017 1.00 24.69 C ATOM 878 CD1 LEU A 60 26.941 -11.448 9.526 1.00 26.71 C ATOM 879 CD2 LEU A 60 27.684 -9.152 8.835 1.00 26.74 C ATOM 880 HA LEU A 60 26.793 -11.367 12.448 1.00 0.00 H ATOM 881 HB2 LEU A 60 25.611 -9.855 10.922 1.00 0.00 H ATOM 882 HB3 LEU A 60 26.796 -8.575 11.269 1.00 0.00 H ATOM 883 HG LEU A 60 28.536 -10.267 10.408 1.00 0.00 H ATOM 884 HD21 LEU A 60 26.703 -8.933 8.412 1.00 0.00 H ATOM 885 HD22 LEU A 60 28.139 -8.230 9.196 1.00 0.00 H ATOM 886 HD23 LEU A 60 28.320 -9.597 8.070 1.00 0.00 H ATOM 887 HD11 LEU A 60 26.939 -12.174 10.339 1.00 0.00 H ATOM 888 HD12 LEU A 60 25.919 -11.280 9.185 1.00 0.00 H ATOM 889 HD13 LEU A 60 27.543 -11.827 8.700 1.00 0.00 H ATOM 890 H LEU A 60 26.110 -8.774 13.869 1.00 0.00 H ATOM 891 N GLU A 61 29.157 -11.032 13.235 1.00 23.81 N ATOM 892 CA GLU A 61 30.600 -10.884 13.423 1.00 27.18 C ATOM 893 C GLU A 61 31.262 -10.643 12.056 1.00 34.40 C ATOM 894 O GLU A 61 31.002 -11.365 11.109 1.00 26.98 O ATOM 895 CB GLU A 61 31.185 -12.122 14.108 1.00 33.17 C ATOM 896 CG GLU A 61 32.706 -12.170 14.211 1.00 37.31 C ATOM 897 CD GLU A 61 33.307 -11.129 15.137 1.00 64.63 C ATOM 898 OE1 GLU A 61 32.689 -10.790 16.177 1.00 58.32 O ATOM 899 OE2 GLU A 61 34.421 -10.650 14.814 1.00 69.97 O ATOM 900 HA GLU A 61 30.797 -10.029 14.070 1.00 0.00 H ATOM 901 HB2 GLU A 61 30.780 -12.167 15.119 1.00 0.00 H ATOM 902 HB3 GLU A 61 30.860 -12.999 13.548 1.00 0.00 H ATOM 903 HG2 GLU A 61 32.992 -13.156 14.576 1.00 0.00 H ATOM 904 HG3 GLU A 61 33.120 -12.019 13.214 1.00 0.00 H ATOM 905 H GLU A 61 28.732 -11.979 13.307 1.00 0.00 H ATOM 906 N THR A 62 32.096 -9.612 11.939 1.00 28.65 N ATOM 907 CA THR A 62 32.718 -9.311 10.663 1.00 22.75 C ATOM 908 C THR A 62 34.065 -8.643 10.856 1.00 31.38 C ATOM 909 O THR A 62 34.280 -7.855 11.785 1.00 27.55 O ATOM 910 CB THR A 62 31.830 -8.407 9.811 1.00 32.83 C ATOM 911 OG1 THR A 62 32.439 -8.171 8.536 1.00 30.74 O ATOM 912 CG2 THR A 62 31.631 -7.065 10.512 1.00 27.72 C ATOM 913 HA THR A 62 32.858 -10.261 10.147 1.00 0.00 H ATOM 914 HB THR A 62 30.869 -8.902 9.672 1.00 0.00 H ATOM 915 HG1 THR A 62 32.567 -9.034 8.068 1.00 0.00 H ATOM 916 HG23 THR A 62 31.168 -7.230 11.485 1.00 0.00 H ATOM 917 HG21 THR A 62 32.598 -6.580 10.646 1.00 0.00 H ATOM 918 HG22 THR A 62 30.986 -6.431 9.904 1.00 0.00 H ATOM 919 H THR A 62 32.303 -9.018 12.767 1.00 0.00 H ATOM 920 N SER A 63 34.978 -8.968 9.959 1.00 31.25 N ATOM 921 CA SER A 63 36.248 -8.272 9.883 1.00 38.64 C ATOM 922 C SER A 63 36.264 -7.259 8.728 1.00 33.76 C ATOM 923 O SER A 63 37.284 -6.631 8.476 1.00 29.63 O ATOM 924 CB SER A 63 37.399 -9.277 9.746 1.00 46.07 C ATOM 925 OG SER A 63 37.175 -10.188 8.682 1.00 61.86 O ATOM 926 HA SER A 63 36.383 -7.713 10.809 1.00 0.00 H ATOM 927 HB2 SER A 63 37.493 -9.836 10.677 1.00 0.00 H ATOM 928 HB3 SER A 63 38.324 -8.732 9.556 1.00 0.00 H ATOM 929 HG SER A 63 36.339 -10.691 8.850 1.00 0.00 H ATOM 930 H SER A 63 34.782 -9.741 9.292 1.00 0.00 H ATOM 931 N LEU A 64 35.144 -7.092 8.026 1.00 23.57 N ATOM 932 CA LEU A 64 35.040 -6.023 7.030 1.00 30.47 C ATOM 933 C LEU A 64 35.072 -4.598 7.631 1.00 37.97 C ATOM 934 O LEU A 64 34.674 -4.372 8.779 1.00 28.68 O ATOM 935 CB LEU A 64 33.754 -6.178 6.223 1.00 25.84 C ATOM 936 CG LEU A 64 33.535 -7.527 5.533 1.00 27.36 C ATOM 937 CD1 LEU A 64 32.122 -7.588 4.971 1.00 30.59 C ATOM 938 CD2 LEU A 64 34.576 -7.816 4.442 1.00 25.72 C ATOM 939 HA LEU A 64 35.921 -6.128 6.397 1.00 0.00 H ATOM 940 HB2 LEU A 64 32.916 -6.013 6.901 1.00 0.00 H ATOM 941 HB3 LEU A 64 33.753 -5.408 5.452 1.00 0.00 H ATOM 942 HG LEU A 64 33.663 -8.306 6.284 1.00 0.00 H ATOM 943 HD21 LEU A 64 34.525 -7.040 3.679 1.00 0.00 H ATOM 944 HD22 LEU A 64 35.572 -7.827 4.885 1.00 0.00 H ATOM 945 HD23 LEU A 64 34.367 -8.786 3.990 1.00 0.00 H ATOM 946 HD11 LEU A 64 31.404 -7.475 5.783 1.00 0.00 H ATOM 947 HD12 LEU A 64 31.985 -6.784 4.248 1.00 0.00 H ATOM 948 HD13 LEU A 64 31.969 -8.549 4.480 1.00 0.00 H ATOM 949 H LEU A 64 34.336 -7.727 8.187 1.00 0.00 H ATOM 950 N ALA A 65 35.554 -3.626 6.856 1.00 26.71 N ATOM 951 CA ALA A 65 35.354 -2.225 7.230 1.00 28.70 C ATOM 952 C ALA A 65 33.865 -1.870 7.073 1.00 23.19 C ATOM 953 O ALA A 65 33.153 -2.496 6.320 1.00 24.60 O ATOM 954 CB ALA A 65 36.223 -1.311 6.361 1.00 36.27 C ATOM 955 HA ALA A 65 35.650 -2.079 8.269 1.00 0.00 H ATOM 956 HB1 ALA A 65 37.273 -1.570 6.500 1.00 0.00 H ATOM 957 HB2 ALA A 65 35.951 -1.442 5.314 1.00 0.00 H ATOM 958 HB3 ALA A 65 36.062 -0.273 6.653 1.00 0.00 H ATOM 959 H ALA A 65 36.072 -3.863 5.986 1.00 0.00 H ATOM 960 N PRO A 66 33.396 -0.836 7.762 1.00 26.80 N ATOM 961 CA PRO A 66 31.978 -0.490 7.746 1.00 22.19 C ATOM 962 C PRO A 66 31.395 -0.214 6.365 1.00 22.90 C ATOM 963 O PRO A 66 30.291 -0.631 6.080 1.00 21.67 O ATOM 964 CB PRO A 66 31.941 0.806 8.559 1.00 22.82 C ATOM 965 CG PRO A 66 33.138 0.767 9.393 1.00 32.74 C ATOM 966 CD PRO A 66 34.175 0.121 8.564 1.00 34.32 C ATOM 967 HA PRO A 66 31.385 -1.321 8.128 1.00 0.00 H ATOM 968 HD3 PRO A 66 34.680 0.848 7.928 1.00 0.00 H ATOM 969 HD2 PRO A 66 34.911 -0.392 9.183 1.00 0.00 H ATOM 970 HG3 PRO A 66 32.955 0.185 10.296 1.00 0.00 H ATOM 971 HG2 PRO A 66 33.444 1.776 9.668 1.00 0.00 H ATOM 972 HB2 PRO A 66 31.963 1.673 7.899 1.00 0.00 H ATOM 973 HB3 PRO A 66 31.044 0.844 9.178 1.00 0.00 H ATOM 974 N GLU A 67 32.083 0.562 5.545 1.00 26.37 N ATOM 975 CA GLU A 67 31.539 0.880 4.219 1.00 27.83 C ATOM 976 C GLU A 67 31.559 -0.369 3.294 1.00 19.11 C ATOM 977 O GLU A 67 30.741 -0.470 2.377 1.00 26.50 O ATOM 978 CB GLU A 67 32.253 2.078 3.593 1.00 33.28 C ATOM 979 CG GLU A 67 33.732 2.197 3.932 1.00 66.62 C ATOM 980 CD GLU A 67 33.979 2.882 5.273 1.00 77.64 C ATOM 981 OE1 GLU A 67 33.397 3.973 5.492 1.00 89.18 O ATOM 982 OE2 GLU A 67 34.745 2.325 6.108 1.00 38.47 O ATOM 983 HA GLU A 67 30.496 1.170 4.343 1.00 0.00 H ATOM 984 HB2 GLU A 67 32.160 1.999 2.510 1.00 0.00 H ATOM 985 HB3 GLU A 67 31.754 2.985 3.934 1.00 0.00 H ATOM 986 HG2 GLU A 67 34.163 1.196 3.967 1.00 0.00 H ATOM 987 HG3 GLU A 67 34.223 2.775 3.150 1.00 0.00 H ATOM 988 H GLU A 67 33.005 0.945 5.838 1.00 0.00 H ATOM 989 N GLU A 68 32.442 -1.339 3.559 1.00 26.63 N ATOM 990 CA GLU A 68 32.406 -2.613 2.813 1.00 29.07 C ATOM 991 C GLU A 68 31.167 -3.410 3.224 1.00 28.61 C ATOM 992 O GLU A 68 30.492 -3.992 2.392 1.00 20.44 O ATOM 993 CB GLU A 68 33.665 -3.462 3.028 1.00 28.93 C ATOM 994 CG GLU A 68 34.959 -2.674 2.984 1.00 43.67 C ATOM 995 CD GLU A 68 36.222 -3.532 3.123 1.00 60.22 C ATOM 996 OE1 GLU A 68 36.332 -4.356 4.072 1.00 33.29 O ATOM 997 OE2 GLU A 68 37.127 -3.350 2.277 1.00 54.43 O ATOM 998 HA GLU A 68 32.365 -2.367 1.752 1.00 0.00 H ATOM 999 HB2 GLU A 68 33.591 -3.944 4.003 1.00 0.00 H ATOM 1000 HB3 GLU A 68 33.701 -4.224 2.249 1.00 0.00 H ATOM 1001 HG2 GLU A 68 35.006 -2.147 2.031 1.00 0.00 H ATOM 1002 HG3 GLU A 68 34.946 -1.949 3.798 1.00 0.00 H ATOM 1003 H GLU A 68 33.160 -1.194 4.297 1.00 0.00 H ATOM 1004 N LEU A 69 30.847 -3.420 4.511 1.00 24.59 N ATOM 1005 CA LEU A 69 29.627 -4.088 4.961 1.00 17.16 C ATOM 1006 C LEU A 69 28.415 -3.421 4.334 1.00 18.78 C ATOM 1007 O LEU A 69 27.481 -4.100 3.908 1.00 20.34 O ATOM 1008 CB LEU A 69 29.517 -4.082 6.495 1.00 22.93 C ATOM 1009 CG LEU A 69 28.233 -4.698 7.056 1.00 25.57 C ATOM 1010 CD1 LEU A 69 28.141 -6.181 6.626 1.00 18.33 C ATOM 1011 CD2 LEU A 69 28.085 -4.569 8.616 1.00 19.94 C ATOM 1012 HA LEU A 69 29.667 -5.129 4.641 1.00 0.00 H ATOM 1013 HB2 LEU A 69 30.363 -4.640 6.897 1.00 0.00 H ATOM 1014 HB3 LEU A 69 29.572 -3.047 6.834 1.00 0.00 H ATOM 1015 HG LEU A 69 27.406 -4.126 6.636 1.00 0.00 H ATOM 1016 HD21 LEU A 69 28.921 -5.072 9.102 1.00 0.00 H ATOM 1017 HD22 LEU A 69 28.083 -3.515 8.894 1.00 0.00 H ATOM 1018 HD23 LEU A 69 27.149 -5.031 8.930 1.00 0.00 H ATOM 1019 HD11 LEU A 69 28.129 -6.242 5.538 1.00 0.00 H ATOM 1020 HD12 LEU A 69 29.004 -6.724 7.012 1.00 0.00 H ATOM 1021 HD13 LEU A 69 27.226 -6.618 7.026 1.00 0.00 H ATOM 1022 H LEU A 69 31.466 -2.951 5.203 1.00 0.00 H ATOM 1023 N LEU A 70 28.446 -2.089 4.234 1.00 17.91 N ATOM 1024 CA LEU A 70 27.340 -1.358 3.644 1.00 14.29 C ATOM 1025 C LEU A 70 27.180 -1.676 2.188 1.00 14.08 C ATOM 1026 O LEU A 70 26.060 -1.795 1.708 1.00 17.39 O ATOM 1027 CB LEU A 70 27.535 0.156 3.823 1.00 21.85 C ATOM 1028 CG LEU A 70 26.454 1.058 3.225 1.00 21.75 C ATOM 1029 CD1 LEU A 70 25.093 0.802 3.905 1.00 22.92 C ATOM 1030 CD2 LEU A 70 26.857 2.568 3.365 1.00 17.65 C ATOM 1031 HA LEU A 70 26.434 -1.670 4.163 1.00 0.00 H ATOM 1032 HB2 LEU A 70 27.583 0.360 4.893 1.00 0.00 H ATOM 1033 HB3 LEU A 70 28.485 0.425 3.360 1.00 0.00 H ATOM 1034 HG LEU A 70 26.360 0.820 2.165 1.00 0.00 H ATOM 1035 HD21 LEU A 70 26.980 2.814 4.420 1.00 0.00 H ATOM 1036 HD22 LEU A 70 27.795 2.743 2.838 1.00 0.00 H ATOM 1037 HD23 LEU A 70 26.075 3.193 2.934 1.00 0.00 H ATOM 1038 HD11 LEU A 70 24.805 -0.239 3.758 1.00 0.00 H ATOM 1039 HD12 LEU A 70 25.176 1.010 4.972 1.00 0.00 H ATOM 1040 HD13 LEU A 70 24.339 1.454 3.464 1.00 0.00 H ATOM 1041 H LEU A 70 29.275 -1.568 4.584 1.00 0.00 H ATOM 1042 N ASN A 71 28.294 -1.823 1.469 1.00 20.62 N ATOM 1043 CA ASN A 71 28.231 -2.230 0.056 1.00 21.40 C ATOM 1044 C ASN A 71 27.525 -3.579 -0.116 1.00 22.39 C ATOM 1045 O ASN A 71 26.729 -3.758 -1.036 1.00 18.75 O ATOM 1046 CB ASN A 71 29.624 -2.333 -0.566 1.00 20.33 C ATOM 1047 CG ASN A 71 30.355 -0.976 -0.680 1.00 23.22 C ATOM 1048 OD1 ASN A 71 29.755 0.108 -0.576 1.00 22.63 O ATOM 1049 ND2 ASN A 71 31.656 -1.048 -0.944 1.00 23.63 N ATOM 1050 HA ASN A 71 27.661 -1.454 -0.454 1.00 0.00 H ATOM 1051 HB2 ASN A 71 30.228 -2.999 0.050 1.00 0.00 H ATOM 1052 HB3 ASN A 71 29.524 -2.756 -1.566 1.00 0.00 H ATOM 1053 HD22 ASN A 71 32.120 -1.975 -1.023 1.00 0.00 H ATOM 1054 HD21 ASN A 71 32.210 -0.177 -1.072 1.00 0.00 H ATOM 1055 H ASN A 71 29.218 -1.648 1.912 1.00 0.00 H ATOM 1056 N HIS A 72 27.818 -4.523 0.783 1.00 16.03 N ATOM 1057 CA HIS A 72 27.142 -5.814 0.783 1.00 21.73 C ATOM 1058 C HIS A 72 25.653 -5.698 1.097 1.00 17.60 C ATOM 1059 O HIS A 72 24.815 -6.312 0.420 1.00 17.84 O ATOM 1060 CB HIS A 72 27.839 -6.770 1.747 1.00 23.01 C ATOM 1061 CG HIS A 72 29.148 -7.269 1.220 1.00 25.00 C ATOM 1062 ND1 HIS A 72 29.234 -8.275 0.283 1.00 25.55 N ATOM 1063 CD2 HIS A 72 30.420 -6.902 1.491 1.00 37.98 C ATOM 1064 CE1 HIS A 72 30.500 -8.504 0.001 1.00 30.97 C ATOM 1065 NE2 HIS A 72 31.245 -7.688 0.728 1.00 33.55 N ATOM 1066 HA HIS A 72 27.208 -6.219 -0.227 1.00 0.00 H ATOM 1067 HB2 HIS A 72 28.017 -6.249 2.688 1.00 0.00 H ATOM 1068 HB3 HIS A 72 27.186 -7.624 1.925 1.00 0.00 H ATOM 1069 HD2 HIS A 72 30.733 -6.124 2.188 1.00 0.00 H ATOM 1070 HE1 HIS A 72 30.871 -9.241 -0.711 1.00 0.00 H ATOM 1071 H HIS A 72 28.546 -4.332 1.500 1.00 0.00 H ATOM 1072 N THR A 73 25.316 -4.927 2.123 1.00 19.70 N ATOM 1073 CA THR A 73 23.919 -4.802 2.489 1.00 19.27 C ATOM 1074 C THR A 73 23.160 -4.127 1.342 1.00 18.04 C ATOM 1075 O THR A 73 22.031 -4.501 1.048 1.00 15.94 O ATOM 1076 CB THR A 73 23.712 -4.104 3.870 1.00 20.40 C ATOM 1077 OG1 THR A 73 24.164 -2.739 3.837 1.00 22.35 O ATOM 1078 CG2 THR A 73 24.459 -4.864 4.958 1.00 20.28 C ATOM 1079 HA THR A 73 23.502 -5.798 2.634 1.00 0.00 H ATOM 1080 HB THR A 73 22.644 -4.107 4.090 1.00 0.00 H ATOM 1081 HG1 THR A 73 23.653 -2.240 3.151 1.00 0.00 H ATOM 1082 HG23 THR A 73 24.114 -5.898 4.980 1.00 0.00 H ATOM 1083 HG21 THR A 73 25.528 -4.841 4.747 1.00 0.00 H ATOM 1084 HG22 THR A 73 24.268 -4.395 5.923 1.00 0.00 H ATOM 1085 H THR A 73 26.047 -4.417 2.659 1.00 0.00 H ATOM 1086 N GLN A 74 23.786 -3.161 0.666 1.00 14.04 N ATOM 1087 CA GLN A 74 23.132 -2.526 -0.464 1.00 17.16 C ATOM 1088 C GLN A 74 23.005 -3.464 -1.663 1.00 11.90 C ATOM 1089 O GLN A 74 22.001 -3.439 -2.357 1.00 18.95 O ATOM 1090 CB GLN A 74 23.839 -1.207 -0.852 1.00 17.57 C ATOM 1091 CG GLN A 74 23.652 -0.145 0.220 1.00 24.00 C ATOM 1092 CD GLN A 74 24.264 1.194 -0.149 1.00 31.30 C ATOM 1093 OE1 GLN A 74 25.097 1.279 -1.045 1.00 29.03 O ATOM 1094 NE2 GLN A 74 23.840 2.242 0.543 1.00 29.86 N ATOM 1095 HA GLN A 74 22.118 -2.282 -0.147 1.00 0.00 H ATOM 1096 HB2 GLN A 74 24.904 -1.399 -0.980 1.00 0.00 H ATOM 1097 HB3 GLN A 74 23.421 -0.842 -1.790 1.00 0.00 H ATOM 1098 HG2 GLN A 74 22.584 -0.004 0.385 1.00 0.00 H ATOM 1099 HG3 GLN A 74 24.117 -0.497 1.141 1.00 0.00 H ATOM 1100 HE22 GLN A 74 23.131 2.117 1.294 1.00 0.00 H ATOM 1101 HE21 GLN A 74 24.216 3.189 0.335 1.00 0.00 H ATOM 1102 H GLN A 74 24.742 -2.863 0.949 1.00 0.00 H ATOM 1103 N ARG A 75 24.003 -4.307 -1.891 1.00 18.65 N ATOM 1104 CA ARG A 75 23.909 -5.296 -2.960 1.00 20.41 C ATOM 1105 C ARG A 75 22.758 -6.262 -2.659 1.00 22.66 C ATOM 1106 O ARG A 75 21.963 -6.603 -3.542 1.00 16.31 O ATOM 1107 CB ARG A 75 25.237 -6.045 -3.131 1.00 22.74 C ATOM 1108 CG ARG A 75 25.144 -7.315 -3.991 1.00 18.21 C ATOM 1109 CD ARG A 75 26.442 -8.102 -4.017 1.00 18.92 C ATOM 1110 NE ARG A 75 26.888 -8.534 -2.695 1.00 21.92 N ATOM 1111 CZ ARG A 75 26.358 -9.533 -1.988 1.00 25.00 C ATOM 1112 NH1 ARG A 75 25.363 -10.275 -2.473 1.00 30.62 N ATOM 1113 NH2 ARG A 75 26.845 -9.815 -0.786 1.00 23.21 N ATOM 1114 HA ARG A 75 23.703 -4.788 -3.902 1.00 0.00 H ATOM 1115 HB2 ARG A 75 25.953 -5.368 -3.598 1.00 0.00 H ATOM 1116 HB3 ARG A 75 25.599 -6.328 -2.142 1.00 0.00 H ATOM 1117 HG2 ARG A 75 24.357 -7.953 -3.588 1.00 0.00 H ATOM 1118 HG3 ARG A 75 24.890 -7.028 -5.011 1.00 0.00 H ATOM 1119 HD2 ARG A 75 27.218 -7.474 -4.455 1.00 0.00 H ATOM 1120 HD3 ARG A 75 26.298 -8.986 -4.639 1.00 0.00 H ATOM 1121 HE ARG A 75 27.685 -8.020 -2.269 1.00 0.00 H ATOM 1122 HH12 ARG A 75 24.966 -11.049 -1.903 1.00 0.00 H ATOM 1123 HH11 ARG A 75 24.984 -10.080 -3.422 1.00 0.00 H ATOM 1124 HH22 ARG A 75 26.437 -10.593 -0.229 1.00 0.00 H ATOM 1125 HH21 ARG A 75 27.635 -9.258 -0.401 1.00 0.00 H ATOM 1126 H ARG A 75 24.860 -4.263 -1.303 1.00 0.00 H ATOM 1127 N ILE A 76 22.652 -6.695 -1.402 1.00 13.78 N ATOM 1128 CA ILE A 76 21.574 -7.626 -1.010 1.00 21.50 C ATOM 1129 C ILE A 76 20.186 -7.011 -1.264 1.00 20.62 C ATOM 1130 O ILE A 76 19.322 -7.670 -1.829 1.00 22.62 O ATOM 1131 CB ILE A 76 21.765 -8.116 0.450 1.00 18.33 C ATOM 1132 CG1 ILE A 76 23.014 -8.986 0.498 1.00 21.04 C ATOM 1133 CG2 ILE A 76 20.568 -8.889 0.951 1.00 15.44 C ATOM 1134 CD1 ILE A 76 23.588 -9.180 1.846 1.00 21.65 C ATOM 1135 HA ILE A 76 21.635 -8.511 -1.643 1.00 0.00 H ATOM 1136 HB ILE A 76 21.873 -7.249 1.102 1.00 0.00 H ATOM 1137 HG12 ILE A 76 22.760 -9.966 0.094 1.00 0.00 H ATOM 1138 HG13 ILE A 76 23.774 -8.522 -0.130 1.00 0.00 H ATOM 1139 HD11 ILE A 76 23.864 -8.212 2.265 1.00 0.00 H ATOM 1140 HD12 ILE A 76 22.849 -9.658 2.489 1.00 0.00 H ATOM 1141 HD13 ILE A 76 24.473 -9.813 1.775 1.00 0.00 H ATOM 1142 HG21 ILE A 76 19.685 -8.250 0.919 1.00 0.00 H ATOM 1143 HG22 ILE A 76 20.409 -9.762 0.317 1.00 0.00 H ATOM 1144 HG23 ILE A 76 20.748 -9.211 1.977 1.00 0.00 H ATOM 1145 H ILE A 76 23.337 -6.373 -0.689 1.00 0.00 H ATOM 1146 N GLU A 77 19.995 -5.738 -0.927 1.00 18.29 N ATOM 1147 CA GLU A 77 18.738 -5.026 -1.202 1.00 18.46 C ATOM 1148 C GLU A 77 18.413 -4.972 -2.700 1.00 13.71 C ATOM 1149 O GLU A 77 17.262 -5.129 -3.098 1.00 25.35 O ATOM 1150 CB GLU A 77 18.780 -3.593 -0.643 1.00 16.89 C ATOM 1151 CG GLU A 77 18.746 -3.473 0.885 1.00 21.02 C ATOM 1152 CD GLU A 77 18.993 -2.050 1.420 1.00 34.43 C ATOM 1153 OE1 GLU A 77 19.580 -1.230 0.694 1.00 24.85 O ATOM 1154 OE2 GLU A 77 18.602 -1.757 2.577 1.00 29.01 O ATOM 1155 HA GLU A 77 17.952 -5.592 -0.702 1.00 0.00 H ATOM 1156 HB2 GLU A 77 19.698 -3.123 -0.996 1.00 0.00 H ATOM 1157 HB3 GLU A 77 17.921 -3.053 -1.041 1.00 0.00 H ATOM 1158 HG2 GLU A 77 17.766 -3.802 1.231 1.00 0.00 H ATOM 1159 HG3 GLU A 77 19.513 -4.129 1.295 1.00 0.00 H ATOM 1160 H GLU A 77 20.765 -5.226 -0.450 1.00 0.00 H ATOM 1161 N LEU A 78 19.428 -4.754 -3.529 1.00 25.28 N ATOM 1162 CA LEU A 78 19.250 -4.743 -4.986 1.00 22.49 C ATOM 1163 C LEU A 78 18.903 -6.107 -5.554 1.00 20.73 C ATOM 1164 O LEU A 78 18.087 -6.220 -6.468 1.00 23.80 O ATOM 1165 CB LEU A 78 20.542 -4.261 -5.672 1.00 22.91 C ATOM 1166 CG LEU A 78 20.801 -2.769 -5.543 1.00 28.36 C ATOM 1167 CD1 LEU A 78 22.095 -2.452 -6.276 1.00 33.70 C ATOM 1168 CD2 LEU A 78 19.634 -2.005 -6.142 1.00 28.99 C ATOM 1169 HA LEU A 78 18.417 -4.068 -5.183 1.00 0.00 H ATOM 1170 HB2 LEU A 78 21.383 -4.793 -5.228 1.00 0.00 H ATOM 1171 HB3 LEU A 78 20.477 -4.506 -6.732 1.00 0.00 H ATOM 1172 HG LEU A 78 20.897 -2.476 -4.498 1.00 0.00 H ATOM 1173 HD21 LEU A 78 19.531 -2.269 -7.195 1.00 0.00 H ATOM 1174 HD22 LEU A 78 18.719 -2.265 -5.609 1.00 0.00 H ATOM 1175 HD23 LEU A 78 19.817 -0.934 -6.051 1.00 0.00 H ATOM 1176 HD11 LEU A 78 22.913 -3.017 -5.828 1.00 0.00 H ATOM 1177 HD12 LEU A 78 21.993 -2.728 -7.326 1.00 0.00 H ATOM 1178 HD13 LEU A 78 22.303 -1.385 -6.198 1.00 0.00 H ATOM 1179 H LEU A 78 20.376 -4.586 -3.134 1.00 0.00 H ATOM 1180 N GLN A 79 19.549 -7.149 -5.039 1.00 23.80 N ATOM 1181 CA GLN A 79 19.356 -8.497 -5.580 1.00 28.60 C ATOM 1182 C GLN A 79 18.111 -9.205 -5.014 1.00 32.16 C ATOM 1183 O GLN A 79 17.466 -9.990 -5.706 1.00 31.12 O ATOM 1184 CB GLN A 79 20.606 -9.347 -5.309 1.00 26.68 C ATOM 1185 CG GLN A 79 21.866 -8.842 -6.033 1.00 28.64 C ATOM 1186 CD GLN A 79 23.090 -9.632 -5.636 1.00 25.62 C ATOM 1187 OE1 GLN A 79 23.162 -10.145 -4.533 1.00 19.09 O ATOM 1188 NE2 GLN A 79 24.056 -9.745 -6.532 1.00 24.26 N ATOM 1189 HA GLN A 79 19.195 -8.387 -6.652 1.00 0.00 H ATOM 1190 HB2 GLN A 79 20.800 -9.342 -4.236 1.00 0.00 H ATOM 1191 HB3 GLN A 79 20.406 -10.367 -5.636 1.00 0.00 H ATOM 1192 HG2 GLN A 79 21.718 -8.936 -7.109 1.00 0.00 H ATOM 1193 HG3 GLN A 79 22.024 -7.794 -5.779 1.00 0.00 H ATOM 1194 HE22 GLN A 79 23.957 -9.292 -7.463 1.00 0.00 H ATOM 1195 HE21 GLN A 79 24.915 -10.287 -6.306 1.00 0.00 H ATOM 1196 H GLN A 79 20.200 -7.005 -4.241 1.00 0.00 H ATOM 1197 N GLN A 80 17.787 -8.926 -3.760 1.00 21.16 N ATOM 1198 CA GLN A 80 16.724 -9.641 -3.035 1.00 27.43 C ATOM 1199 C GLN A 80 15.516 -8.756 -2.687 1.00 40.81 C ATOM 1200 O GLN A 80 14.496 -9.244 -2.176 1.00 26.37 O ATOM 1201 CB GLN A 80 17.243 -10.174 -1.686 1.00 30.56 C ATOM 1202 CG GLN A 80 18.516 -11.002 -1.692 1.00 33.33 C ATOM 1203 CD GLN A 80 18.393 -12.259 -2.504 1.00 40.40 C ATOM 1204 OE1 GLN A 80 17.289 -12.758 -2.750 1.00 45.51 O ATOM 1205 NE2 GLN A 80 19.529 -12.770 -2.962 1.00 47.72 N ATOM 1206 HA GLN A 80 16.420 -10.438 -3.714 1.00 0.00 H ATOM 1207 HB2 GLN A 80 17.419 -9.312 -1.042 1.00 0.00 H ATOM 1208 HB3 GLN A 80 16.455 -10.792 -1.256 1.00 0.00 H ATOM 1209 HG2 GLN A 80 19.322 -10.397 -2.107 1.00 0.00 H ATOM 1210 HG3 GLN A 80 18.759 -11.274 -0.665 1.00 0.00 H ATOM 1211 HE22 GLN A 80 20.435 -12.316 -2.729 1.00 0.00 H ATOM 1212 HE21 GLN A 80 19.513 -13.625 -3.554 1.00 0.00 H ATOM 1213 H GLN A 80 18.305 -8.171 -3.268 1.00 0.00 H ATOM 1214 N GLY A 81 15.636 -7.455 -2.903 1.00 21.87 N ATOM 1215 CA GLY A 81 14.730 -6.525 -2.278 1.00 21.05 C ATOM 1216 C GLY A 81 13.434 -6.402 -3.021 1.00 26.19 C ATOM 1217 O GLY A 81 12.445 -5.882 -2.476 1.00 28.75 O ATOM 1218 HA3 GLY A 81 15.206 -5.545 -2.239 1.00 0.00 H ATOM 1219 HA2 GLY A 81 14.521 -6.867 -1.264 1.00 0.00 H ATOM 1220 H GLY A 81 16.389 -7.102 -3.528 1.00 0.00 H ATOM 1221 N ARG A 82 13.447 -6.864 -4.267 1.00 19.84 N ATOM 1222 CA ARG A 82 12.280 -6.789 -5.147 1.00 28.56 C ATOM 1223 C ARG A 82 11.699 -8.149 -5.487 1.00 32.89 C ATOM 1224 O ARG A 82 12.408 -9.039 -5.962 1.00 40.44 O ATOM 1225 CB ARG A 82 12.636 -6.095 -6.445 1.00 36.20 C ATOM 1226 CG ARG A 82 12.919 -4.612 -6.286 1.00 32.34 C ATOM 1227 CD ARG A 82 13.121 -3.972 -7.665 1.00 40.62 C ATOM 1228 NE ARG A 82 13.564 -2.584 -7.603 1.00 35.75 N ATOM 1229 CZ ARG A 82 12.761 -1.525 -7.708 1.00 64.08 C ATOM 1230 NH1 ARG A 82 11.450 -1.682 -7.855 1.00 36.02 N ATOM 1231 NH2 ARG A 82 13.263 -0.294 -7.647 1.00 64.60 N ATOM 1232 HA ARG A 82 11.530 -6.224 -4.593 1.00 0.00 H ATOM 1233 HB2 ARG A 82 13.524 -6.573 -6.859 1.00 0.00 H ATOM 1234 HB3 ARG A 82 11.804 -6.214 -7.139 1.00 0.00 H ATOM 1235 HG2 ARG A 82 12.077 -4.134 -5.785 1.00 0.00 H ATOM 1236 HG3 ARG A 82 13.821 -4.477 -5.688 1.00 0.00 H ATOM 1237 HD2 ARG A 82 12.175 -4.009 -8.205 1.00 0.00 H ATOM 1238 HD3 ARG A 82 13.870 -4.549 -8.207 1.00 0.00 H ATOM 1239 HE ARG A 82 14.580 -2.407 -7.467 1.00 0.00 H ATOM 1240 HH12 ARG A 82 10.832 -0.849 -7.936 1.00 0.00 H ATOM 1241 HH11 ARG A 82 11.041 -2.638 -7.889 1.00 0.00 H ATOM 1242 HH22 ARG A 82 12.633 0.529 -7.729 1.00 0.00 H ATOM 1243 HH21 ARG A 82 14.285 -0.155 -7.517 1.00 0.00 H ATOM 1244 H ARG A 82 14.320 -7.296 -4.631 1.00 0.00 H ATOM 1245 N VAL A 83 10.397 -8.293 -5.263 1.00 27.69 N ATOM 1246 CA VAL A 83 9.698 -9.543 -5.578 1.00 40.76 C ATOM 1247 C VAL A 83 8.918 -9.415 -6.887 1.00 46.23 C ATOM 1248 O VAL A 83 8.363 -8.351 -7.188 1.00 36.11 O ATOM 1249 CB VAL A 83 8.746 -9.932 -4.429 1.00 41.28 C ATOM 1250 CG1 VAL A 83 7.864 -11.092 -4.822 1.00 42.58 C ATOM 1251 CG2 VAL A 83 9.545 -10.275 -3.201 1.00 30.76 C ATOM 1252 HA VAL A 83 10.445 -10.328 -5.697 1.00 0.00 H ATOM 1253 HB VAL A 83 8.101 -9.081 -4.212 1.00 0.00 H ATOM 1254 HG11 VAL A 83 7.267 -10.815 -5.691 1.00 0.00 H ATOM 1255 HG12 VAL A 83 8.486 -11.953 -5.066 1.00 0.00 H ATOM 1256 HG13 VAL A 83 7.204 -11.343 -3.991 1.00 0.00 H ATOM 1257 HG21 VAL A 83 10.206 -11.113 -3.422 1.00 0.00 H ATOM 1258 HG22 VAL A 83 10.138 -9.411 -2.902 1.00 0.00 H ATOM 1259 HG23 VAL A 83 8.867 -10.549 -2.393 1.00 0.00 H ATOM 1260 H VAL A 83 9.861 -7.501 -4.855 1.00 0.00 H ATOM 1261 N ARG A 84 8.903 -10.489 -7.674 1.00 26.95 N ATOM 1262 CA ARG A 84 8.153 -10.522 -8.947 1.00 31.71 C ATOM 1263 C ARG A 84 6.656 -10.391 -8.713 1.00 40.09 C ATOM 1264 O ARG A 84 6.073 -11.142 -7.934 1.00 49.55 O ATOM 1265 CB ARG A 84 8.416 -11.814 -9.742 1.00 36.78 C ATOM 1266 CG ARG A 84 9.495 -11.742 -10.806 1.00 40.36 C ATOM 1267 CD ARG A 84 9.355 -10.558 -11.781 1.00 60.32 C ATOM 1268 NE ARG A 84 8.286 -10.710 -12.766 1.00 61.81 N ATOM 1269 CZ ARG A 84 8.468 -10.881 -14.074 1.00 45.87 C ATOM 1270 NH1 ARG A 84 9.685 -10.944 -14.601 1.00 68.29 N ATOM 1271 NH2 ARG A 84 7.416 -11.002 -14.868 1.00 50.76 N ATOM 1272 HA ARG A 84 8.509 -9.671 -9.528 1.00 0.00 H ATOM 1273 HB2 ARG A 84 8.702 -12.589 -9.031 1.00 0.00 H ATOM 1274 HB3 ARG A 84 7.485 -12.098 -10.232 1.00 0.00 H ATOM 1275 HG2 ARG A 84 10.460 -11.660 -10.307 1.00 0.00 H ATOM 1276 HG3 ARG A 84 9.464 -12.665 -11.385 1.00 0.00 H ATOM 1277 HD2 ARG A 84 10.298 -10.443 -12.316 1.00 0.00 H ATOM 1278 HD3 ARG A 84 9.157 -9.658 -11.199 1.00 0.00 H ATOM 1279 HE ARG A 84 7.306 -10.682 -12.418 1.00 0.00 H ATOM 1280 HH12 ARG A 84 9.802 -11.078 -15.626 1.00 0.00 H ATOM 1281 HH11 ARG A 84 10.522 -10.859 -13.989 1.00 0.00 H ATOM 1282 HH22 ARG A 84 7.549 -11.136 -15.891 1.00 0.00 H ATOM 1283 HH21 ARG A 84 6.456 -10.963 -14.469 1.00 0.00 H ATOM 1284 H ARG A 84 9.437 -11.333 -7.383 1.00 0.00 H ATOM 1285 N LYS A 85 6.054 -9.433 -9.411 1.00 41.44 N ATOM 1286 CA LYS A 85 4.650 -9.055 -9.246 1.00 54.51 C ATOM 1287 C LYS A 85 3.873 -9.445 -10.507 1.00 69.57 C ATOM 1288 O LYS A 85 3.230 -8.592 -11.156 1.00 56.40 O ATOM 1289 CB LYS A 85 4.531 -7.538 -8.990 1.00 64.25 C ATOM 1290 CG LYS A 85 4.168 -7.141 -7.558 1.00 78.59 C ATOM 1291 CD LYS A 85 5.219 -7.572 -6.518 1.00 84.40 C ATOM 1292 CE LYS A 85 4.769 -7.243 -5.083 1.00 75.34 C ATOM 1293 NZ LYS A 85 5.810 -6.565 -4.239 1.00 50.49 N ATOM 1294 HA LYS A 85 4.232 -9.579 -8.387 1.00 0.00 H ATOM 1295 HB2 LYS A 85 5.489 -7.079 -9.234 1.00 0.00 H ATOM 1296 HB3 LYS A 85 3.762 -7.144 -9.654 1.00 0.00 H ATOM 1297 HG2 LYS A 85 4.064 -6.057 -7.516 1.00 0.00 H ATOM 1298 HG3 LYS A 85 3.216 -7.606 -7.301 1.00 0.00 H ATOM 1299 HD2 LYS A 85 5.378 -8.647 -6.601 1.00 0.00 H ATOM 1300 HD3 LYS A 85 6.154 -7.051 -6.723 1.00 0.00 H ATOM 1301 HE2 LYS A 85 4.488 -8.175 -4.593 1.00 0.00 H ATOM 1302 HE3 LYS A 85 3.899 -6.588 -5.141 1.00 0.00 H ATOM 1303 HZ1 LYS A 85 6.645 -7.180 -4.159 1.00 0.00 H ATOM 1304 HZ2 LYS A 85 6.082 -5.665 -4.683 1.00 0.00 H ATOM 1305 HZ3 LYS A 85 5.421 -6.382 -3.292 1.00 0.00 H ATOM 1306 H LYS A 85 6.617 -8.920 -10.119 1.00 0.00 H ATOM 1307 N ALA A 86 3.974 -10.735 -10.847 1.00 39.20 N ATOM 1308 CA ALA A 86 3.254 -11.357 -11.967 1.00 52.70 C ATOM 1309 C ALA A 86 3.750 -10.918 -13.332 1.00 45.23 C ATOM 1310 O ALA A 86 4.401 -11.680 -14.040 1.00 75.56 O ATOM 1311 CB ALA A 86 1.760 -11.106 -11.859 1.00 58.78 C ATOM 1312 HA ALA A 86 3.457 -12.425 -11.886 1.00 0.00 H ATOM 1313 HB1 ALA A 86 1.388 -11.529 -10.926 1.00 0.00 H ATOM 1314 HB2 ALA A 86 1.571 -10.033 -11.874 1.00 0.00 H ATOM 1315 HB3 ALA A 86 1.252 -11.577 -12.700 1.00 0.00 H ATOM 1316 H ALA A 86 4.604 -11.338 -10.281 1.00 0.00 H ATOM 1317 N GLU A 87 3.412 -9.698 -13.718 1.00 57.51 N ATOM 1318 CA GLU A 87 3.783 -9.208 -15.033 1.00 65.90 C ATOM 1319 C GLU A 87 5.041 -8.348 -14.979 1.00 56.99 C ATOM 1320 O GLU A 87 5.605 -8.023 -16.018 1.00 46.94 O ATOM 1321 CB GLU A 87 2.619 -8.439 -15.663 1.00 69.05 C ATOM 1322 CG GLU A 87 2.281 -8.896 -17.098 1.00 77.48 C ATOM 1323 CD GLU A 87 1.510 -10.229 -17.183 1.00 73.48 C ATOM 1324 OE1 GLU A 87 0.639 -10.475 -16.316 1.00 76.87 O ATOM 1325 OE2 GLU A 87 1.771 -11.018 -18.132 1.00 45.62 O ATOM 1326 HA GLU A 87 4.009 -10.071 -15.660 1.00 0.00 H ATOM 1327 HB2 GLU A 87 1.736 -8.579 -15.040 1.00 0.00 H ATOM 1328 HB3 GLU A 87 2.879 -7.381 -15.690 1.00 0.00 H ATOM 1329 HG2 GLU A 87 1.674 -8.122 -17.568 1.00 0.00 H ATOM 1330 HG3 GLU A 87 3.215 -9.008 -17.648 1.00 0.00 H ATOM 1331 H GLU A 87 2.875 -9.084 -13.073 1.00 0.00 H ATOM 1332 N ARG A 88 5.491 -7.991 -13.775 1.00 35.97 N ATOM 1333 CA ARG A 88 6.660 -7.125 -13.635 1.00 42.62 C ATOM 1334 C ARG A 88 7.209 -7.155 -12.221 1.00 44.87 C ATOM 1335 O ARG A 88 6.597 -7.732 -11.334 1.00 42.94 O ATOM 1336 CB ARG A 88 6.300 -5.687 -13.989 1.00 62.54 C ATOM 1337 CG ARG A 88 5.431 -5.015 -12.951 1.00 52.01 C ATOM 1338 CD ARG A 88 4.840 -3.735 -13.497 1.00 68.57 C ATOM 1339 NE ARG A 88 3.962 -3.089 -12.528 1.00 98.62 N ATOM 1340 CZ ARG A 88 2.772 -3.556 -12.157 1.00 95.76 C ATOM 1341 NH1 ARG A 88 2.298 -4.697 -12.659 1.00 99.12 N ATOM 1342 NH2 ARG A 88 2.054 -2.879 -11.272 1.00 49.68 N ATOM 1343 HA ARG A 88 7.422 -7.500 -14.318 1.00 0.00 H ATOM 1344 HB2 ARG A 88 7.222 -5.115 -14.092 1.00 0.00 H ATOM 1345 HB3 ARG A 88 5.766 -5.688 -14.939 1.00 0.00 H ATOM 1346 HG2 ARG A 88 4.623 -5.690 -12.668 1.00 0.00 H ATOM 1347 HG3 ARG A 88 6.035 -4.785 -12.073 1.00 0.00 H ATOM 1348 HD2 ARG A 88 4.267 -3.965 -14.395 1.00 0.00 H ATOM 1349 HD3 ARG A 88 5.650 -3.051 -13.750 1.00 0.00 H ATOM 1350 HE ARG A 88 4.289 -2.201 -12.097 1.00 0.00 H ATOM 1351 HH12 ARG A 88 1.366 -5.049 -12.360 1.00 0.00 H ATOM 1352 HH11 ARG A 88 2.860 -5.234 -13.350 1.00 0.00 H ATOM 1353 HH22 ARG A 88 1.123 -3.236 -10.976 1.00 0.00 H ATOM 1354 HH21 ARG A 88 2.422 -1.991 -10.874 1.00 0.00 H ATOM 1355 H ARG A 88 5.003 -8.334 -12.923 1.00 0.00 H ATOM 1356 N TRP A 89 8.360 -6.519 -12.015 1.00 43.45 N ATOM 1357 CA TRP A 89 8.989 -6.499 -10.695 1.00 54.08 C ATOM 1358 C TRP A 89 8.337 -5.451 -9.809 1.00 43.95 C ATOM 1359 O TRP A 89 8.156 -4.312 -10.217 1.00 54.74 O ATOM 1360 CB TRP A 89 10.509 -6.285 -10.798 1.00 41.88 C ATOM 1361 CG TRP A 89 11.236 -7.510 -11.294 1.00 36.53 C ATOM 1362 CD1 TRP A 89 11.532 -7.822 -12.599 1.00 34.77 C ATOM 1363 CD2 TRP A 89 11.749 -8.599 -10.500 1.00 48.21 C ATOM 1364 NE1 TRP A 89 12.180 -9.041 -12.662 1.00 45.68 N ATOM 1365 CE2 TRP A 89 12.337 -9.530 -11.391 1.00 52.53 C ATOM 1366 CE3 TRP A 89 11.761 -8.882 -9.122 1.00 42.69 C ATOM 1367 CZ2 TRP A 89 12.933 -10.725 -10.951 1.00 54.72 C ATOM 1368 CZ3 TRP A 89 12.358 -10.076 -8.687 1.00 41.96 C ATOM 1369 CH2 TRP A 89 12.934 -10.976 -9.600 1.00 51.73 C ATOM 1370 HA TRP A 89 8.835 -7.474 -10.233 1.00 0.00 H ATOM 1371 HB2 TRP A 89 10.700 -5.463 -11.487 1.00 0.00 H ATOM 1372 HB3 TRP A 89 10.893 -6.027 -9.811 1.00 0.00 H ATOM 1373 HE1 TRP A 89 12.497 -9.512 -13.533 1.00 0.00 H ATOM 1374 HD1 TRP A 89 11.291 -7.198 -13.460 1.00 0.00 H ATOM 1375 HZ2 TRP A 89 13.378 -11.427 -11.656 1.00 0.00 H ATOM 1376 HH2 TRP A 89 13.391 -11.893 -9.228 1.00 0.00 H ATOM 1377 HZ3 TRP A 89 12.375 -10.309 -7.622 1.00 0.00 H ATOM 1378 HE3 TRP A 89 11.316 -8.189 -8.407 1.00 0.00 H ATOM 1379 H TRP A 89 8.820 -6.027 -12.807 1.00 0.00 H ATOM 1380 N GLY A 90 7.956 -5.859 -8.601 1.00 52.40 N ATOM 1381 CA GLY A 90 7.341 -4.961 -7.639 1.00 43.72 C ATOM 1382 C GLY A 90 8.323 -3.936 -7.103 1.00 37.66 C ATOM 1383 O GLY A 90 9.494 -3.945 -7.467 1.00 29.23 O ATOM 1384 HA3 GLY A 90 6.957 -5.549 -6.805 1.00 0.00 H ATOM 1385 HA2 GLY A 90 6.517 -4.438 -8.124 1.00 0.00 H ATOM 1386 H GLY A 90 8.103 -6.854 -8.337 1.00 0.00 H ATOM 1387 N PRO A 91 7.839 -3.036 -6.240 1.00 36.28 N ATOM 1388 CA PRO A 91 8.687 -2.070 -5.539 1.00 37.28 C ATOM 1389 C PRO A 91 9.681 -2.741 -4.590 1.00 34.73 C ATOM 1390 O PRO A 91 9.562 -3.936 -4.284 1.00 30.02 O ATOM 1391 CB PRO A 91 7.680 -1.238 -4.733 1.00 44.02 C ATOM 1392 CG PRO A 91 6.488 -2.106 -4.567 1.00 40.91 C ATOM 1393 CD PRO A 91 6.432 -2.967 -5.803 1.00 46.00 C ATOM 1394 HA PRO A 91 9.296 -1.491 -6.233 1.00 0.00 H ATOM 1395 HD3 PRO A 91 6.047 -3.960 -5.569 1.00 0.00 H ATOM 1396 HD2 PRO A 91 5.808 -2.508 -6.570 1.00 0.00 H ATOM 1397 HG3 PRO A 91 5.585 -1.500 -4.485 1.00 0.00 H ATOM 1398 HG2 PRO A 91 6.591 -2.726 -3.676 1.00 0.00 H ATOM 1399 HB2 PRO A 91 8.096 -0.973 -3.761 1.00 0.00 H ATOM 1400 HB3 PRO A 91 7.417 -0.329 -5.274 1.00 0.00 H ATOM 1401 N ARG A 92 10.663 -1.981 -4.132 1.00 31.59 N ATOM 1402 CA ARG A 92 11.565 -2.483 -3.121 1.00 40.21 C ATOM 1403 C ARG A 92 10.759 -2.592 -1.824 1.00 33.21 C ATOM 1404 O ARG A 92 10.057 -1.637 -1.434 1.00 32.56 O ATOM 1405 CB ARG A 92 12.784 -1.574 -2.933 1.00 41.46 C ATOM 1406 CG ARG A 92 13.845 -2.165 -1.967 1.00 46.46 C ATOM 1407 CD ARG A 92 15.007 -1.199 -1.695 1.00 58.33 C ATOM 1408 NE ARG A 92 15.097 -0.870 -0.274 1.00 51.20 N ATOM 1409 CZ ARG A 92 16.110 -0.234 0.305 1.00 54.18 C ATOM 1410 NH1 ARG A 92 17.158 0.162 -0.411 1.00 67.42 N ATOM 1411 NH2 ARG A 92 16.074 -0.002 1.613 1.00 41.97 N ATOM 1412 HA ARG A 92 11.961 -3.453 -3.422 1.00 0.00 H ATOM 1413 HB2 ARG A 92 13.251 -1.415 -3.905 1.00 0.00 H ATOM 1414 HB3 ARG A 92 12.445 -0.618 -2.533 1.00 0.00 H ATOM 1415 HG2 ARG A 92 13.360 -2.402 -1.020 1.00 0.00 H ATOM 1416 HG3 ARG A 92 14.247 -3.078 -2.407 1.00 0.00 H ATOM 1417 HD2 ARG A 92 14.849 -0.283 -2.263 1.00 0.00 H ATOM 1418 HD3 ARG A 92 15.940 -1.665 -2.012 1.00 0.00 H ATOM 1419 HE ARG A 92 14.303 -1.157 0.334 1.00 0.00 H ATOM 1420 HH12 ARG A 92 17.946 0.659 0.051 1.00 0.00 H ATOM 1421 HH11 ARG A 92 17.190 -0.025 -1.433 1.00 0.00 H ATOM 1422 HH22 ARG A 92 16.862 0.495 2.075 1.00 0.00 H ATOM 1423 HH21 ARG A 92 15.258 -0.317 2.175 1.00 0.00 H ATOM 1424 H ARG A 92 10.786 -1.017 -4.502 1.00 0.00 H ATOM 1425 N THR A 93 10.850 -3.756 -1.177 1.00 25.95 N ATOM 1426 CA THR A 93 10.123 -4.007 0.077 1.00 19.66 C ATOM 1427 C THR A 93 11.018 -4.430 1.215 1.00 28.38 C ATOM 1428 O THR A 93 10.522 -4.594 2.326 1.00 26.09 O ATOM 1429 CB THR A 93 9.089 -5.085 -0.096 1.00 32.95 C ATOM 1430 OG1 THR A 93 9.691 -6.200 -0.768 1.00 33.61 O ATOM 1431 CG2 THR A 93 7.918 -4.567 -0.907 1.00 34.11 C ATOM 1432 HA THR A 93 9.661 -3.051 0.323 1.00 0.00 H ATOM 1433 HB THR A 93 8.721 -5.395 0.882 1.00 0.00 H ATOM 1434 HG1 THR A 93 10.446 -6.542 -0.226 1.00 0.00 H ATOM 1435 HG23 THR A 93 7.466 -3.720 -0.390 1.00 0.00 H ATOM 1436 HG21 THR A 93 8.270 -4.250 -1.889 1.00 0.00 H ATOM 1437 HG22 THR A 93 7.179 -5.360 -1.023 1.00 0.00 H ATOM 1438 H THR A 93 11.452 -4.507 -1.571 1.00 0.00 H ATOM 1439 N LEU A 94 12.314 -4.600 0.946 1.00 25.86 N ATOM 1440 CA LEU A 94 13.281 -4.995 1.967 1.00 20.58 C ATOM 1441 C LEU A 94 14.240 -3.871 2.319 1.00 25.17 C ATOM 1442 O LEU A 94 14.819 -3.259 1.430 1.00 22.80 O ATOM 1443 CB LEU A 94 14.108 -6.182 1.479 1.00 23.40 C ATOM 1444 CG LEU A 94 15.307 -6.593 2.345 1.00 19.31 C ATOM 1445 CD1 LEU A 94 14.859 -7.360 3.641 1.00 20.36 C ATOM 1446 CD2 LEU A 94 16.257 -7.447 1.527 1.00 16.07 C ATOM 1447 HA LEU A 94 12.705 -5.258 2.854 1.00 0.00 H ATOM 1448 HB2 LEU A 94 13.442 -7.042 1.408 1.00 0.00 H ATOM 1449 HB3 LEU A 94 14.487 -5.935 0.487 1.00 0.00 H ATOM 1450 HG LEU A 94 15.817 -5.685 2.668 1.00 0.00 H ATOM 1451 HD21 LEU A 94 15.736 -8.340 1.182 1.00 0.00 H ATOM 1452 HD22 LEU A 94 16.609 -6.876 0.668 1.00 0.00 H ATOM 1453 HD23 LEU A 94 17.107 -7.737 2.145 1.00 0.00 H ATOM 1454 HD11 LEU A 94 14.212 -6.717 4.237 1.00 0.00 H ATOM 1455 HD12 LEU A 94 14.316 -8.262 3.358 1.00 0.00 H ATOM 1456 HD13 LEU A 94 15.739 -7.631 4.224 1.00 0.00 H ATOM 1457 H LEU A 94 12.648 -4.446 -0.027 1.00 0.00 H ATOM 1458 N ASP A 95 14.418 -3.629 3.620 1.00 19.71 N ATOM 1459 CA ASP A 95 15.411 -2.702 4.142 1.00 24.07 C ATOM 1460 C ASP A 95 16.389 -3.421 5.019 1.00 26.00 C ATOM 1461 O ASP A 95 16.005 -4.254 5.842 1.00 24.55 O ATOM 1462 CB ASP A 95 14.758 -1.632 5.029 1.00 21.56 C ATOM 1463 CG ASP A 95 13.660 -0.896 4.327 1.00 36.48 C ATOM 1464 OD1 ASP A 95 13.856 -0.563 3.128 1.00 39.70 O ATOM 1465 OD2 ASP A 95 12.607 -0.674 4.972 1.00 45.18 O ATOM 1466 HA ASP A 95 15.899 -2.251 3.278 1.00 0.00 H ATOM 1467 HB2 ASP A 95 14.344 -2.116 5.914 1.00 0.00 H ATOM 1468 HB3 ASP A 95 15.521 -0.915 5.332 1.00 0.00 H ATOM 1469 H ASP A 95 13.812 -4.132 4.299 1.00 0.00 H ATOM 1470 N LEU A 96 17.648 -3.055 4.878 1.00 20.69 N ATOM 1471 CA LEU A 96 18.708 -3.530 5.748 1.00 18.99 C ATOM 1472 C LEU A 96 19.454 -2.296 6.270 1.00 25.05 C ATOM 1473 O LEU A 96 20.068 -1.563 5.486 1.00 33.22 O ATOM 1474 CB LEU A 96 19.670 -4.432 4.966 1.00 26.80 C ATOM 1475 CG LEU A 96 19.148 -5.761 4.402 1.00 23.23 C ATOM 1476 CD1 LEU A 96 20.187 -6.398 3.492 1.00 22.67 C ATOM 1477 CD2 LEU A 96 18.796 -6.715 5.558 1.00 23.46 C ATOM 1478 HA LEU A 96 18.297 -4.113 6.572 1.00 0.00 H ATOM 1479 HB2 LEU A 96 20.040 -3.850 4.122 1.00 0.00 H ATOM 1480 HB3 LEU A 96 20.499 -4.671 5.633 1.00 0.00 H ATOM 1481 HG LEU A 96 18.251 -5.566 3.815 1.00 0.00 H ATOM 1482 HD21 LEU A 96 19.687 -6.902 6.157 1.00 0.00 H ATOM 1483 HD22 LEU A 96 18.026 -6.260 6.181 1.00 0.00 H ATOM 1484 HD23 LEU A 96 18.426 -7.656 5.151 1.00 0.00 H ATOM 1485 HD11 LEU A 96 20.406 -5.723 2.665 1.00 0.00 H ATOM 1486 HD12 LEU A 96 21.098 -6.587 4.060 1.00 0.00 H ATOM 1487 HD13 LEU A 96 19.799 -7.339 3.102 1.00 0.00 H ATOM 1488 H LEU A 96 17.892 -2.397 4.110 1.00 0.00 H ATOM 1489 N ASP A 97 19.396 -2.063 7.573 1.00 26.68 N ATOM 1490 CA ASP A 97 20.014 -0.878 8.179 1.00 24.32 C ATOM 1491 C ASP A 97 21.115 -1.330 9.111 1.00 27.95 C ATOM 1492 O ASP A 97 20.926 -2.258 9.864 1.00 26.83 O ATOM 1493 CB ASP A 97 18.966 -0.087 8.950 1.00 27.91 C ATOM 1494 CG ASP A 97 18.055 0.737 8.041 1.00 46.27 C ATOM 1495 OD1 ASP A 97 18.529 1.735 7.466 1.00 47.10 O ATOM 1496 OD2 ASP A 97 16.858 0.406 7.925 1.00 46.35 O ATOM 1497 HA ASP A 97 20.431 -0.236 7.403 1.00 0.00 H ATOM 1498 HB2 ASP A 97 18.351 -0.785 9.518 1.00 0.00 H ATOM 1499 HB3 ASP A 97 19.476 0.589 9.637 1.00 0.00 H ATOM 1500 H ASP A 97 18.897 -2.740 8.185 1.00 0.00 H ATOM 1501 N ILE A 98 22.284 -0.722 9.026 1.00 18.50 N ATOM 1502 CA ILE A 98 23.306 -0.949 10.030 1.00 20.24 C ATOM 1503 C ILE A 98 23.006 -0.109 11.269 1.00 36.00 C ATOM 1504 O ILE A 98 23.077 1.118 11.232 1.00 23.33 O ATOM 1505 CB ILE A 98 24.675 -0.621 9.499 1.00 22.85 C ATOM 1506 CG1 ILE A 98 24.965 -1.509 8.304 1.00 23.09 C ATOM 1507 CG2 ILE A 98 25.729 -0.792 10.566 1.00 23.25 C ATOM 1508 CD1 ILE A 98 26.221 -1.101 7.535 1.00 27.30 C ATOM 1509 HA ILE A 98 23.296 -2.006 10.297 1.00 0.00 H ATOM 1510 HB ILE A 98 24.698 0.424 9.189 1.00 0.00 H ATOM 1511 HG12 ILE A 98 25.093 -2.532 8.657 1.00 0.00 H ATOM 1512 HG13 ILE A 98 24.114 -1.464 7.625 1.00 0.00 H ATOM 1513 HD11 ILE A 98 26.104 -0.082 7.166 1.00 0.00 H ATOM 1514 HD12 ILE A 98 27.084 -1.152 8.199 1.00 0.00 H ATOM 1515 HD13 ILE A 98 26.367 -1.779 6.694 1.00 0.00 H ATOM 1516 HG21 ILE A 98 25.510 -0.126 11.401 1.00 0.00 H ATOM 1517 HG22 ILE A 98 25.728 -1.825 10.913 1.00 0.00 H ATOM 1518 HG23 ILE A 98 26.707 -0.548 10.151 1.00 0.00 H ATOM 1519 H ILE A 98 22.473 -0.076 8.234 1.00 0.00 H ATOM 1520 N MET A 99 22.666 -0.774 12.368 1.00 20.18 N ATOM 1521 CA MET A 99 22.305 -0.094 13.574 1.00 14.67 C ATOM 1522 C MET A 99 23.566 0.278 14.339 1.00 22.49 C ATOM 1523 O MET A 99 23.720 1.419 14.803 1.00 24.81 O ATOM 1524 CB MET A 99 21.380 -0.964 14.425 1.00 18.25 C ATOM 1525 CG MET A 99 19.929 -1.030 13.935 1.00 22.13 C ATOM 1526 SD MET A 99 18.796 -1.815 15.141 1.00 20.71 S ATOM 1527 CE MET A 99 19.394 -3.481 15.102 1.00 18.48 C ATOM 1528 HA MET A 99 21.762 0.818 13.327 1.00 0.00 H ATOM 1529 HB2 MET A 99 21.781 -1.977 14.435 1.00 0.00 H ATOM 1530 HB3 MET A 99 21.378 -0.566 15.440 1.00 0.00 H ATOM 1531 HG2 MET A 99 19.901 -1.604 13.009 1.00 0.00 H ATOM 1532 HG3 MET A 99 19.581 -0.015 13.742 1.00 0.00 H ATOM 1533 HE1 MET A 99 19.302 -3.875 14.090 1.00 0.00 H ATOM 1534 HE2 MET A 99 20.441 -3.497 15.406 1.00 0.00 H ATOM 1535 HE3 MET A 99 18.806 -4.093 15.786 1.00 0.00 H ATOM 1536 H MET A 99 22.662 -1.814 12.351 1.00 0.00 H ATOM 1537 N LEU A 100 24.473 -0.672 14.481 1.00 20.76 N ATOM 1538 CA LEU A 100 25.690 -0.448 15.241 1.00 17.11 C ATOM 1539 C LEU A 100 26.816 -1.157 14.555 1.00 17.59 C ATOM 1540 O LEU A 100 26.591 -2.130 13.859 1.00 17.37 O ATOM 1541 CB LEU A 100 25.532 -0.980 16.654 1.00 16.89 C ATOM 1542 CG LEU A 100 24.413 -0.274 17.432 1.00 21.69 C ATOM 1543 CD1 LEU A 100 23.963 -1.065 18.607 1.00 27.43 C ATOM 1544 CD2 LEU A 100 24.941 1.066 17.865 1.00 28.00 C ATOM 1545 HA LEU A 100 25.898 0.621 15.296 1.00 0.00 H ATOM 1546 HB2 LEU A 100 25.303 -2.044 16.602 1.00 0.00 H ATOM 1547 HB3 LEU A 100 26.472 -0.837 17.188 1.00 0.00 H ATOM 1548 HG LEU A 100 23.540 -0.160 16.790 1.00 0.00 H ATOM 1549 HD21 LEU A 100 25.816 0.923 18.500 1.00 0.00 H ATOM 1550 HD22 LEU A 100 25.220 1.647 16.986 1.00 0.00 H ATOM 1551 HD23 LEU A 100 24.169 1.596 18.422 1.00 0.00 H ATOM 1552 HD11 LEU A 100 23.586 -2.031 18.270 1.00 0.00 H ATOM 1553 HD12 LEU A 100 24.803 -1.218 19.284 1.00 0.00 H ATOM 1554 HD13 LEU A 100 23.171 -0.525 19.125 1.00 0.00 H ATOM 1555 H LEU A 100 24.312 -1.600 14.039 1.00 0.00 H ATOM 1556 N PHE A 101 28.023 -0.652 14.700 1.00 16.90 N ATOM 1557 CA PHE A 101 29.180 -1.333 14.125 1.00 21.46 C ATOM 1558 C PHE A 101 30.252 -1.317 15.191 1.00 18.04 C ATOM 1559 O PHE A 101 30.932 -0.319 15.354 1.00 18.96 O ATOM 1560 CB PHE A 101 29.681 -0.640 12.838 1.00 17.89 C ATOM 1561 CG PHE A 101 30.703 -1.453 12.069 1.00 24.26 C ATOM 1562 CD1 PHE A 101 32.043 -1.419 12.423 1.00 24.97 C ATOM 1563 CD2 PHE A 101 30.314 -2.288 11.028 1.00 27.75 C ATOM 1564 CE1 PHE A 101 32.982 -2.182 11.746 1.00 30.10 C ATOM 1565 CE2 PHE A 101 31.248 -3.067 10.347 1.00 34.69 C ATOM 1566 CZ PHE A 101 32.582 -3.022 10.708 1.00 29.28 C ATOM 1567 HA PHE A 101 28.915 -2.349 13.833 1.00 0.00 H ATOM 1568 HB2 PHE A 101 28.825 -0.459 12.188 1.00 0.00 H ATOM 1569 HB3 PHE A 101 30.134 0.312 13.113 1.00 0.00 H ATOM 1570 HD2 PHE A 101 29.264 -2.334 10.740 1.00 0.00 H ATOM 1571 HE2 PHE A 101 30.927 -3.712 9.529 1.00 0.00 H ATOM 1572 HZ PHE A 101 33.314 -3.638 10.186 1.00 0.00 H ATOM 1573 HE1 PHE A 101 34.034 -2.125 12.026 1.00 0.00 H ATOM 1574 HD1 PHE A 101 32.364 -0.782 13.247 1.00 0.00 H ATOM 1575 H PHE A 101 28.153 0.236 15.226 1.00 0.00 H ATOM 1576 N GLY A 102 30.382 -2.383 15.963 1.00 21.94 N ATOM 1577 CA GLY A 102 31.227 -2.334 17.147 1.00 23.23 C ATOM 1578 C GLY A 102 30.872 -1.158 18.047 1.00 24.78 C ATOM 1579 O GLY A 102 29.694 -0.806 18.218 1.00 23.18 O ATOM 1580 HA3 GLY A 102 32.267 -2.238 16.835 1.00 0.00 H ATOM 1581 HA2 GLY A 102 31.101 -3.259 17.709 1.00 0.00 H ATOM 1582 H GLY A 102 29.878 -3.260 15.723 1.00 0.00 H ATOM 1583 N ASN A 103 31.891 -0.538 18.635 1.00 29.93 N ATOM 1584 CA ASN A 103 31.701 0.708 19.382 1.00 26.25 C ATOM 1585 C ASN A 103 32.033 1.950 18.542 1.00 26.38 C ATOM 1586 O ASN A 103 32.374 3.007 19.083 1.00 27.17 O ATOM 1587 CB ASN A 103 32.538 0.708 20.670 1.00 27.82 C ATOM 1588 CG ASN A 103 32.070 -0.333 21.670 1.00 41.26 C ATOM 1589 OD1 ASN A 103 30.963 -0.864 21.554 1.00 48.45 O ATOM 1590 ND2 ASN A 103 32.907 -0.627 22.666 1.00 41.12 N ATOM 1591 HA ASN A 103 30.643 0.757 19.641 1.00 0.00 H ATOM 1592 HB2 ASN A 103 33.577 0.502 20.412 1.00 0.00 H ATOM 1593 HB3 ASN A 103 32.468 1.693 21.132 1.00 0.00 H ATOM 1594 HD22 ASN A 103 33.832 -0.154 22.725 1.00 0.00 H ATOM 1595 HD21 ASN A 103 32.635 -1.329 23.384 1.00 0.00 H ATOM 1596 H ASN A 103 32.845 -0.947 18.563 1.00 0.00 H ATOM 1597 N GLU A 104 31.925 1.837 17.220 1.00 29.06 N ATOM 1598 CA GLU A 104 32.255 2.967 16.344 1.00 26.83 C ATOM 1599 C GLU A 104 31.145 3.999 16.178 1.00 21.01 C ATOM 1600 O GLU A 104 29.959 3.675 16.105 1.00 20.20 O ATOM 1601 CB GLU A 104 32.731 2.478 14.973 1.00 24.24 C ATOM 1602 CG GLU A 104 33.779 1.395 15.078 1.00 29.33 C ATOM 1603 CD GLU A 104 34.636 1.277 13.867 1.00 44.93 C ATOM 1604 OE1 GLU A 104 34.536 2.150 12.965 1.00 47.52 O ATOM 1605 OE2 GLU A 104 35.417 0.301 13.830 1.00 48.90 O ATOM 1606 HA GLU A 104 33.064 3.487 16.857 1.00 0.00 H ATOM 1607 HB2 GLU A 104 31.875 2.085 14.425 1.00 0.00 H ATOM 1608 HB3 GLU A 104 33.153 3.322 14.428 1.00 0.00 H ATOM 1609 HG2 GLU A 104 34.418 1.615 15.933 1.00 0.00 H ATOM 1610 HG3 GLU A 104 33.275 0.442 15.238 1.00 0.00 H ATOM 1611 H GLU A 104 31.604 0.939 16.804 1.00 0.00 H ATOM 1612 N VAL A 105 31.574 5.259 16.085 1.00 26.25 N ATOM 1613 CA VAL A 105 30.707 6.363 15.685 1.00 29.61 C ATOM 1614 C VAL A 105 31.149 6.770 14.291 1.00 28.60 C ATOM 1615 O VAL A 105 32.325 7.029 14.066 1.00 23.88 O ATOM 1616 CB VAL A 105 30.848 7.573 16.643 1.00 28.50 C ATOM 1617 CG1 VAL A 105 29.991 8.741 16.174 1.00 27.69 C ATOM 1618 CG2 VAL A 105 30.479 7.164 18.058 1.00 26.17 C ATOM 1619 HA VAL A 105 29.663 6.050 15.713 1.00 0.00 H ATOM 1620 HB VAL A 105 31.887 7.901 16.636 1.00 0.00 H ATOM 1621 HG11 VAL A 105 30.308 9.045 15.176 1.00 0.00 H ATOM 1622 HG12 VAL A 105 28.945 8.435 16.147 1.00 0.00 H ATOM 1623 HG13 VAL A 105 30.109 9.576 16.864 1.00 0.00 H ATOM 1624 HG21 VAL A 105 29.448 6.811 18.076 1.00 0.00 H ATOM 1625 HG22 VAL A 105 31.143 6.366 18.389 1.00 0.00 H ATOM 1626 HG23 VAL A 105 30.582 8.023 18.722 1.00 0.00 H ATOM 1627 H VAL A 105 32.569 5.463 16.307 1.00 0.00 H ATOM 1628 N ILE A 106 30.209 6.800 13.360 1.00 24.87 N ATOM 1629 CA ILE A 106 30.517 7.064 11.952 1.00 22.20 C ATOM 1630 C ILE A 106 29.545 8.097 11.471 1.00 32.27 C ATOM 1631 O ILE A 106 28.331 7.963 11.699 1.00 21.89 O ATOM 1632 CB ILE A 106 30.366 5.803 11.083 1.00 29.18 C ATOM 1633 CG1 ILE A 106 31.289 4.682 11.600 1.00 25.72 C ATOM 1634 CG2 ILE A 106 30.666 6.143 9.620 1.00 28.54 C ATOM 1635 CD1 ILE A 106 30.947 3.309 11.106 1.00 29.48 C ATOM 1636 HA ILE A 106 31.551 7.399 11.871 1.00 0.00 H ATOM 1637 HB ILE A 106 29.340 5.442 11.146 1.00 0.00 H ATOM 1638 HG12 ILE A 106 32.308 4.911 11.289 1.00 0.00 H ATOM 1639 HG13 ILE A 106 31.236 4.674 12.689 1.00 0.00 H ATOM 1640 HD11 ILE A 106 29.935 3.053 11.419 1.00 0.00 H ATOM 1641 HD12 ILE A 106 31.008 3.290 10.018 1.00 0.00 H ATOM 1642 HD13 ILE A 106 31.651 2.589 11.523 1.00 0.00 H ATOM 1643 HG21 ILE A 106 29.968 6.905 9.275 1.00 0.00 H ATOM 1644 HG22 ILE A 106 31.686 6.519 9.537 1.00 0.00 H ATOM 1645 HG23 ILE A 106 30.557 5.246 9.010 1.00 0.00 H ATOM 1646 H ILE A 106 29.221 6.631 13.636 1.00 0.00 H ATOM 1647 N ASN A 107 30.087 9.142 10.845 1.00 30.43 N ATOM 1648 CA ASN A 107 29.291 10.193 10.244 1.00 26.04 C ATOM 1649 C ASN A 107 29.917 10.583 8.925 1.00 32.54 C ATOM 1650 O ASN A 107 30.794 11.433 8.888 1.00 28.78 O ATOM 1651 CB ASN A 107 29.247 11.422 11.150 1.00 24.98 C ATOM 1652 CG ASN A 107 28.514 11.157 12.447 1.00 40.56 C ATOM 1653 OD1 ASN A 107 29.137 10.983 13.492 1.00 37.06 O ATOM 1654 ND2 ASN A 107 27.187 11.105 12.384 1.00 27.73 N ATOM 1655 HA ASN A 107 28.275 9.826 10.097 1.00 0.00 H ATOM 1656 HB2 ASN A 107 30.269 11.724 11.380 1.00 0.00 H ATOM 1657 HB3 ASN A 107 28.741 12.230 10.621 1.00 0.00 H ATOM 1658 HD22 ASN A 107 26.703 11.259 11.476 1.00 0.00 H ATOM 1659 HD21 ASN A 107 26.633 10.910 13.242 1.00 0.00 H ATOM 1660 H ASN A 107 31.123 9.205 10.786 1.00 0.00 H ATOM 1661 N THR A 108 29.486 9.934 7.858 1.00 23.26 N ATOM 1662 CA THR A 108 30.004 10.230 6.539 1.00 26.45 C ATOM 1663 C THR A 108 28.805 10.448 5.667 1.00 30.95 C ATOM 1664 O THR A 108 27.674 10.314 6.110 1.00 23.32 O ATOM 1665 CB THR A 108 30.819 9.062 5.954 1.00 39.97 C ATOM 1666 OG1 THR A 108 29.954 7.941 5.722 1.00 24.23 O ATOM 1667 CG2 THR A 108 31.913 8.645 6.898 1.00 36.75 C ATOM 1668 HA THR A 108 30.668 11.093 6.593 1.00 0.00 H ATOM 1669 HB THR A 108 31.267 9.394 5.018 1.00 0.00 H ATOM 1670 HG1 THR A 108 30.480 7.192 5.346 1.00 0.00 H ATOM 1671 HG23 THR A 108 32.576 9.491 7.080 1.00 0.00 H ATOM 1672 HG21 THR A 108 31.473 8.317 7.840 1.00 0.00 H ATOM 1673 HG22 THR A 108 32.480 7.826 6.456 1.00 0.00 H ATOM 1674 H THR A 108 28.761 9.197 7.968 1.00 0.00 H ATOM 1675 N GLU A 109 29.060 10.730 4.401 1.00 24.76 N ATOM 1676 CA GLU A 109 27.989 10.933 3.447 1.00 23.14 C ATOM 1677 C GLU A 109 27.124 9.666 3.304 1.00 34.04 C ATOM 1678 O GLU A 109 25.922 9.731 3.041 1.00 34.12 O ATOM 1679 CB GLU A 109 28.604 11.317 2.104 1.00 28.39 C ATOM 1680 CG GLU A 109 29.524 12.555 2.161 1.00 31.21 C ATOM 1681 CD GLU A 109 31.018 12.211 2.324 1.00 50.41 C ATOM 1682 OE1 GLU A 109 31.381 11.332 3.152 1.00 30.72 O ATOM 1683 OE2 GLU A 109 31.839 12.845 1.615 1.00 39.68 O ATOM 1684 HA GLU A 109 27.336 11.732 3.800 1.00 0.00 H ATOM 1685 HB2 GLU A 109 29.189 10.472 1.742 1.00 0.00 H ATOM 1686 HB3 GLU A 109 27.795 11.524 1.404 1.00 0.00 H ATOM 1687 HG2 GLU A 109 29.400 13.119 1.237 1.00 0.00 H ATOM 1688 HG3 GLU A 109 29.219 13.172 3.006 1.00 0.00 H ATOM 1689 H GLU A 109 30.048 10.808 4.084 1.00 0.00 H ATOM 1690 N ARG A 110 27.739 8.510 3.489 1.00 23.09 N ATOM 1691 CA ARG A 110 27.064 7.253 3.201 1.00 24.84 C ATOM 1692 C ARG A 110 26.488 6.653 4.469 1.00 29.44 C ATOM 1693 O ARG A 110 25.459 6.001 4.438 1.00 32.31 O ATOM 1694 CB ARG A 110 28.049 6.261 2.591 1.00 24.65 C ATOM 1695 CG ARG A 110 28.507 6.587 1.171 1.00 30.54 C ATOM 1696 CD ARG A 110 29.270 5.416 0.586 1.00 27.01 C ATOM 1697 NE ARG A 110 28.403 4.260 0.316 1.00 24.39 N ATOM 1698 CZ ARG A 110 28.853 3.030 0.101 1.00 18.93 C ATOM 1699 NH1 ARG A 110 30.146 2.767 0.191 1.00 32.24 N ATOM 1700 NH2 ARG A 110 28.004 2.037 -0.151 1.00 29.31 N ATOM 1701 HA ARG A 110 26.256 7.455 2.498 1.00 0.00 H ATOM 1702 HB2 ARG A 110 28.931 6.226 3.230 1.00 0.00 H ATOM 1703 HB3 ARG A 110 27.574 5.280 2.575 1.00 0.00 H ATOM 1704 HG2 ARG A 110 27.636 6.796 0.550 1.00 0.00 H ATOM 1705 HG3 ARG A 110 29.154 7.464 1.193 1.00 0.00 H ATOM 1706 HD2 ARG A 110 30.045 5.115 1.291 1.00 0.00 H ATOM 1707 HD3 ARG A 110 29.734 5.732 -0.349 1.00 0.00 H ATOM 1708 HE ARG A 110 27.375 4.415 0.292 1.00 0.00 H ATOM 1709 HH12 ARG A 110 30.493 1.801 0.022 1.00 0.00 H ATOM 1710 HH11 ARG A 110 30.815 3.526 0.431 1.00 0.00 H ATOM 1711 HH22 ARG A 110 28.363 1.076 -0.319 1.00 0.00 H ATOM 1712 HH21 ARG A 110 26.981 2.222 -0.180 1.00 0.00 H ATOM 1713 H ARG A 110 28.716 8.499 3.844 1.00 0.00 H ATOM 1714 N LEU A 111 27.152 6.902 5.591 1.00 23.82 N ATOM 1715 CA LEU A 111 26.883 6.140 6.793 1.00 30.32 C ATOM 1716 C LEU A 111 26.816 6.996 8.061 1.00 32.55 C ATOM 1717 O LEU A 111 27.741 7.745 8.370 1.00 26.25 O ATOM 1718 CB LEU A 111 27.988 5.099 6.912 1.00 28.68 C ATOM 1719 CG LEU A 111 27.661 3.791 7.571 1.00 35.87 C ATOM 1720 CD1 LEU A 111 26.347 3.220 7.064 1.00 29.40 C ATOM 1721 CD2 LEU A 111 28.820 2.871 7.325 1.00 33.44 C ATOM 1722 HA LEU A 111 25.897 5.684 6.706 1.00 0.00 H ATOM 1723 HB2 LEU A 111 28.332 4.875 5.902 1.00 0.00 H ATOM 1724 HB3 LEU A 111 28.801 5.553 7.479 1.00 0.00 H ATOM 1725 HG LEU A 111 27.517 3.925 8.643 1.00 0.00 H ATOM 1726 HD21 LEU A 111 28.955 2.738 6.252 1.00 0.00 H ATOM 1727 HD22 LEU A 111 29.723 3.303 7.755 1.00 0.00 H ATOM 1728 HD23 LEU A 111 28.621 1.905 7.790 1.00 0.00 H ATOM 1729 HD11 LEU A 111 25.541 3.923 7.276 1.00 0.00 H ATOM 1730 HD12 LEU A 111 26.415 3.056 5.989 1.00 0.00 H ATOM 1731 HD13 LEU A 111 26.146 2.273 7.565 1.00 0.00 H ATOM 1732 H LEU A 111 27.873 7.652 5.607 1.00 0.00 H ATOM 1733 N THR A 112 25.687 6.906 8.758 1.00 31.40 N ATOM 1734 CA THR A 112 25.553 7.379 10.130 1.00 24.92 C ATOM 1735 C THR A 112 25.316 6.203 11.066 1.00 27.50 C ATOM 1736 O THR A 112 24.297 5.505 10.981 1.00 20.41 O ATOM 1737 CB THR A 112 24.371 8.321 10.271 1.00 26.62 C ATOM 1738 OG1 THR A 112 24.514 9.385 9.335 1.00 30.39 O ATOM 1739 CG2 THR A 112 24.315 8.895 11.672 1.00 22.05 C ATOM 1740 HA THR A 112 26.475 7.901 10.385 1.00 0.00 H ATOM 1741 HB THR A 112 23.451 7.769 10.080 1.00 0.00 H ATOM 1742 HG1 THR A 112 24.539 9.014 8.417 1.00 0.00 H ATOM 1743 HG23 THR A 112 24.206 8.084 12.392 1.00 0.00 H ATOM 1744 HG21 THR A 112 25.236 9.442 11.876 1.00 0.00 H ATOM 1745 HG22 THR A 112 23.464 9.571 11.753 1.00 0.00 H ATOM 1746 H THR A 112 24.858 6.476 8.301 1.00 0.00 H ATOM 1747 N VAL A 113 26.277 6.001 11.955 1.00 25.09 N ATOM 1748 CA VAL A 113 26.243 4.927 12.926 1.00 23.54 C ATOM 1749 C VAL A 113 26.597 5.528 14.284 1.00 23.76 C ATOM 1750 O VAL A 113 27.577 6.248 14.381 1.00 21.22 O ATOM 1751 CB VAL A 113 27.257 3.811 12.584 1.00 19.60 C ATOM 1752 CG1 VAL A 113 27.320 2.789 13.744 1.00 24.59 C ATOM 1753 CG2 VAL A 113 26.880 3.139 11.263 1.00 20.84 C ATOM 1754 HA VAL A 113 25.250 4.477 12.928 1.00 0.00 H ATOM 1755 HB VAL A 113 28.249 4.246 12.461 1.00 0.00 H ATOM 1756 HG11 VAL A 113 27.634 3.296 14.656 1.00 0.00 H ATOM 1757 HG12 VAL A 113 26.334 2.349 13.893 1.00 0.00 H ATOM 1758 HG13 VAL A 113 28.036 2.005 13.497 1.00 0.00 H ATOM 1759 HG21 VAL A 113 25.885 2.703 11.350 1.00 0.00 H ATOM 1760 HG22 VAL A 113 26.884 3.881 10.465 1.00 0.00 H ATOM 1761 HG23 VAL A 113 27.603 2.356 11.036 1.00 0.00 H ATOM 1762 H VAL A 113 27.094 6.644 11.956 1.00 0.00 H ATOM 1763 N PRO A 114 25.804 5.244 15.340 1.00 21.52 N ATOM 1764 CA PRO A 114 24.560 4.468 15.377 1.00 17.17 C ATOM 1765 C PRO A 114 23.486 5.055 14.490 1.00 21.83 C ATOM 1766 O PRO A 114 23.445 6.247 14.229 1.00 23.96 O ATOM 1767 CB PRO A 114 24.142 4.537 16.845 1.00 24.62 C ATOM 1768 CG PRO A 114 25.422 4.667 17.597 1.00 25.60 C ATOM 1769 CD PRO A 114 26.348 5.452 16.700 1.00 27.52 C ATOM 1770 HA PRO A 114 24.703 3.452 15.009 1.00 0.00 H ATOM 1771 HD3 PRO A 114 26.336 6.510 16.963 1.00 0.00 H ATOM 1772 HD2 PRO A 114 27.367 5.073 16.770 1.00 0.00 H ATOM 1773 HG3 PRO A 114 25.841 3.683 17.807 1.00 0.00 H ATOM 1774 HG2 PRO A 114 25.260 5.199 18.534 1.00 0.00 H ATOM 1775 HB2 PRO A 114 23.502 5.401 17.023 1.00 0.00 H ATOM 1776 HB3 PRO A 114 23.614 3.629 17.138 1.00 0.00 H ATOM 1777 N HIS A 115 22.579 4.201 14.066 1.00 15.07 N ATOM 1778 CA HIS A 115 21.578 4.591 13.110 1.00 21.59 C ATOM 1779 C HIS A 115 20.907 5.850 13.617 1.00 28.87 C ATOM 1780 O HIS A 115 20.623 5.986 14.830 1.00 24.52 O ATOM 1781 CB HIS A 115 20.606 3.450 12.940 1.00 17.77 C ATOM 1782 CG HIS A 115 19.494 3.726 12.000 1.00 25.23 C ATOM 1783 ND1 HIS A 115 18.366 4.418 12.377 1.00 30.58 N ATOM 1784 CD2 HIS A 115 19.306 3.364 10.709 1.00 25.57 C ATOM 1785 CE1 HIS A 115 17.541 4.500 11.347 1.00 36.53 C ATOM 1786 NE2 HIS A 115 18.083 3.860 10.327 1.00 35.32 N ATOM 1787 HA HIS A 115 22.009 4.807 12.133 1.00 0.00 H ATOM 1788 HB2 HIS A 115 21.157 2.585 12.572 1.00 0.00 H ATOM 1789 HB3 HIS A 115 20.178 3.218 13.915 1.00 0.00 H ATOM 1790 HD2 HIS A 115 19.994 2.788 10.090 1.00 0.00 H ATOM 1791 HE1 HIS A 115 16.577 5.009 11.341 1.00 0.00 H ATOM 1792 H HIS A 115 22.586 3.226 14.429 1.00 0.00 H ATOM 1793 N TYR A 116 20.662 6.766 12.679 1.00 24.10 N ATOM 1794 CA TYR A 116 20.223 8.132 12.993 1.00 30.41 C ATOM 1795 C TYR A 116 18.923 8.213 13.804 1.00 30.33 C ATOM 1796 O TYR A 116 18.758 9.143 14.595 1.00 31.20 O ATOM 1797 CB TYR A 116 20.096 8.968 11.700 1.00 31.43 C ATOM 1798 CG TYR A 116 18.793 8.780 10.939 1.00 37.33 C ATOM 1799 CD1 TYR A 116 18.535 7.603 10.240 1.00 54.95 C ATOM 1800 CD2 TYR A 116 17.813 9.778 10.929 1.00 55.55 C ATOM 1801 CE1 TYR A 116 17.343 7.416 9.552 1.00 47.89 C ATOM 1802 CE2 TYR A 116 16.608 9.602 10.236 1.00 47.48 C ATOM 1803 CZ TYR A 116 16.386 8.414 9.550 1.00 65.71 C ATOM 1804 OH TYR A 116 15.211 8.209 8.856 1.00 84.46 O ATOM 1805 HA TYR A 116 21.000 8.546 13.636 1.00 0.00 H ATOM 1806 HB3 TYR A 116 20.917 8.694 11.038 1.00 0.00 H ATOM 1807 HB2 TYR A 116 20.183 10.021 11.968 1.00 0.00 H ATOM 1808 HD2 TYR A 116 17.990 10.708 11.469 1.00 0.00 H ATOM 1809 HE2 TYR A 116 15.853 10.388 10.235 1.00 0.00 H ATOM 1810 HE1 TYR A 116 17.162 6.485 9.015 1.00 0.00 H ATOM 1811 HD1 TYR A 116 19.285 6.812 10.233 1.00 0.00 H ATOM 1812 HH TYR A 116 15.230 7.314 8.434 1.00 0.00 H ATOM 1813 H TYR A 116 20.787 6.501 11.681 1.00 0.00 H ATOM 1814 N ASP A 117 18.006 7.260 13.637 1.00 27.40 N ATOM 1815 CA ASP A 117 16.715 7.356 14.323 1.00 22.00 C ATOM 1816 C ASP A 117 16.308 6.150 15.173 1.00 24.35 C ATOM 1817 O ASP A 117 15.170 6.048 15.613 1.00 20.17 O ATOM 1818 CB ASP A 117 15.616 7.645 13.308 1.00 40.99 C ATOM 1819 CG ASP A 117 14.376 8.271 13.945 1.00 34.73 C ATOM 1820 OD1 ASP A 117 14.499 9.211 14.763 1.00 31.30 O ATOM 1821 OD2 ASP A 117 13.268 7.821 13.613 1.00 33.87 O ATOM 1822 HA ASP A 117 16.845 8.172 15.034 1.00 0.00 H ATOM 1823 HB2 ASP A 117 16.007 8.331 12.556 1.00 0.00 H ATOM 1824 HB3 ASP A 117 15.328 6.709 12.829 1.00 0.00 H ATOM 1825 H ASP A 117 18.207 6.448 13.019 1.00 0.00 H ATOM 1826 N MET A 118 17.225 5.247 15.442 1.00 22.41 N ATOM 1827 CA MET A 118 16.828 4.033 16.126 1.00 20.46 C ATOM 1828 C MET A 118 16.281 4.313 17.552 1.00 22.56 C ATOM 1829 O MET A 118 15.452 3.563 18.036 1.00 18.01 O ATOM 1830 CB MET A 118 17.964 3.022 16.141 1.00 22.13 C ATOM 1831 CG MET A 118 19.182 3.433 16.941 1.00 23.40 C ATOM 1832 SD MET A 118 20.572 2.281 16.731 1.00 24.09 S ATOM 1833 CE MET A 118 20.056 0.930 17.807 1.00 21.86 C ATOM 1834 HA MET A 118 16.003 3.597 15.563 1.00 0.00 H ATOM 1835 HB2 MET A 118 17.582 2.092 16.561 1.00 0.00 H ATOM 1836 HB3 MET A 118 18.278 2.852 15.111 1.00 0.00 H ATOM 1837 HG2 MET A 118 18.912 3.467 17.997 1.00 0.00 H ATOM 1838 HG3 MET A 118 19.497 4.424 16.615 1.00 0.00 H ATOM 1839 HE1 MET A 118 19.946 1.301 18.826 1.00 0.00 H ATOM 1840 HE2 MET A 118 19.103 0.533 17.458 1.00 0.00 H ATOM 1841 HE3 MET A 118 20.809 0.142 17.785 1.00 0.00 H ATOM 1842 H MET A 118 18.217 5.401 15.169 1.00 0.00 H ATOM 1843 N LYS A 119 16.707 5.415 18.184 1.00 17.25 N ATOM 1844 CA LYS A 119 16.263 5.750 19.545 1.00 20.57 C ATOM 1845 C LYS A 119 14.779 6.091 19.608 1.00 17.17 C ATOM 1846 O LYS A 119 14.178 6.065 20.673 1.00 20.84 O ATOM 1847 CB LYS A 119 17.070 6.909 20.137 1.00 23.19 C ATOM 1848 CG LYS A 119 16.499 8.293 19.848 1.00 30.54 C ATOM 1849 CD LYS A 119 17.502 9.388 20.210 1.00 35.23 C ATOM 1850 CE LYS A 119 17.123 10.107 21.474 1.00 26.76 C ATOM 1851 NZ LYS A 119 18.294 10.725 22.154 1.00 13.46 N ATOM 1852 HA LYS A 119 16.436 4.852 20.139 1.00 0.00 H ATOM 1853 HB2 LYS A 119 17.112 6.777 21.218 1.00 0.00 H ATOM 1854 HB3 LYS A 119 18.079 6.865 19.728 1.00 0.00 H ATOM 1855 HG2 LYS A 119 16.260 8.365 18.787 1.00 0.00 H ATOM 1856 HG3 LYS A 119 15.591 8.433 20.434 1.00 0.00 H ATOM 1857 HD2 LYS A 119 18.484 8.935 20.344 1.00 0.00 H ATOM 1858 HD3 LYS A 119 17.545 10.110 19.394 1.00 0.00 H ATOM 1859 HE2 LYS A 119 16.659 9.394 22.156 1.00 0.00 H ATOM 1860 HE3 LYS A 119 16.407 10.892 21.229 1.00 0.00 H ATOM 1861 HZ1 LYS A 119 18.981 9.984 22.401 1.00 0.00 H ATOM 1862 HZ2 LYS A 119 18.740 11.414 21.515 1.00 0.00 H ATOM 1863 HZ3 LYS A 119 17.976 11.207 23.019 1.00 0.00 H ATOM 1864 H LYS A 119 17.371 6.051 17.698 1.00 0.00 H ATOM 1865 N ASN A 120 14.184 6.376 18.461 1.00 15.75 N ATOM 1866 CA ASN A 120 12.751 6.632 18.403 1.00 14.05 C ATOM 1867 C ASN A 120 11.892 5.468 17.948 1.00 30.37 C ATOM 1868 O ASN A 120 10.666 5.617 17.879 1.00 21.06 O ATOM 1869 CB ASN A 120 12.490 7.797 17.448 1.00 23.77 C ATOM 1870 CG ASN A 120 12.860 9.124 18.063 1.00 21.19 C ATOM 1871 OD1 ASN A 120 12.477 9.383 19.176 1.00 19.32 O ATOM 1872 ND2 ASN A 120 13.617 9.943 17.353 1.00 18.12 N ATOM 1873 HA ASN A 120 12.464 6.843 19.433 1.00 0.00 H ATOM 1874 HB2 ASN A 120 13.081 7.651 16.544 1.00 0.00 H ATOM 1875 HB3 ASN A 120 11.431 7.811 17.190 1.00 0.00 H ATOM 1876 HD22 ASN A 120 13.921 9.672 16.396 1.00 0.00 H ATOM 1877 HD21 ASN A 120 13.908 10.858 17.751 1.00 0.00 H ATOM 1878 H ASN A 120 14.748 6.418 17.588 1.00 0.00 H ATOM 1879 N ARG A 121 12.514 4.318 17.647 1.00 20.96 N ATOM 1880 CA ARG A 121 11.812 3.231 16.966 1.00 20.23 C ATOM 1881 C ARG A 121 11.772 1.959 17.822 1.00 23.63 C ATOM 1882 O ARG A 121 12.775 1.292 18.002 1.00 17.34 O ATOM 1883 CB ARG A 121 12.467 2.975 15.603 1.00 15.87 C ATOM 1884 CG ARG A 121 12.357 4.188 14.684 1.00 17.58 C ATOM 1885 CD ARG A 121 13.080 4.060 13.325 1.00 32.85 C ATOM 1886 NE ARG A 121 12.995 5.332 12.582 1.00 47.08 N ATOM 1887 CZ ARG A 121 13.028 5.465 11.255 1.00 50.11 C ATOM 1888 NH1 ARG A 121 13.132 4.411 10.456 1.00 42.22 N ATOM 1889 NH2 ARG A 121 12.931 6.670 10.717 1.00 45.45 N ATOM 1890 HA ARG A 121 10.776 3.528 16.807 1.00 0.00 H ATOM 1891 HB2 ARG A 121 13.521 2.742 15.756 1.00 0.00 H ATOM 1892 HB3 ARG A 121 11.974 2.127 15.128 1.00 0.00 H ATOM 1893 HG2 ARG A 121 11.300 4.366 14.487 1.00 0.00 H ATOM 1894 HG3 ARG A 121 12.777 5.046 15.209 1.00 0.00 H ATOM 1895 HD2 ARG A 121 12.611 3.269 12.740 1.00 0.00 H ATOM 1896 HD3 ARG A 121 14.127 3.812 13.496 1.00 0.00 H ATOM 1897 HE ARG A 121 12.901 6.203 13.143 1.00 0.00 H ATOM 1898 HH12 ARG A 121 13.156 4.541 9.424 1.00 0.00 H ATOM 1899 HH11 ARG A 121 13.190 3.455 10.861 1.00 0.00 H ATOM 1900 HH22 ARG A 121 12.956 6.782 9.683 1.00 0.00 H ATOM 1901 HH21 ARG A 121 12.830 7.506 11.328 1.00 0.00 H ATOM 1902 H ARG A 121 13.515 4.197 17.903 1.00 0.00 H ATOM 1903 N GLY A 122 10.616 1.687 18.402 1.00 20.03 N ATOM 1904 CA GLY A 122 10.439 0.505 19.201 1.00 17.84 C ATOM 1905 C GLY A 122 10.743 -0.723 18.331 1.00 21.92 C ATOM 1906 O GLY A 122 11.347 -1.682 18.802 1.00 16.91 O ATOM 1907 HA3 GLY A 122 9.411 0.455 19.561 1.00 0.00 H ATOM 1908 HA2 GLY A 122 11.120 0.531 20.052 1.00 0.00 H ATOM 1909 H GLY A 122 9.818 2.342 18.278 1.00 0.00 H ATOM 1910 N PHE A 123 10.362 -0.671 17.057 1.00 19.32 N ATOM 1911 CA PHE A 123 10.520 -1.827 16.177 1.00 19.23 C ATOM 1912 C PHE A 123 11.975 -2.090 15.851 1.00 18.11 C ATOM 1913 O PHE A 123 12.303 -3.133 15.320 1.00 14.96 O ATOM 1914 CB PHE A 123 9.677 -1.699 14.892 1.00 25.26 C ATOM 1915 CG PHE A 123 9.974 -0.459 14.064 1.00 17.55 C ATOM 1916 CD1 PHE A 123 11.131 -0.379 13.310 1.00 22.06 C ATOM 1917 CD2 PHE A 123 9.071 0.584 14.023 1.00 29.74 C ATOM 1918 CE1 PHE A 123 11.398 0.742 12.540 1.00 30.82 C ATOM 1919 CE2 PHE A 123 9.335 1.726 13.276 1.00 32.09 C ATOM 1920 CZ PHE A 123 10.492 1.794 12.524 1.00 23.16 C ATOM 1921 HA PHE A 123 10.143 -2.689 16.727 1.00 0.00 H ATOM 1922 HB2 PHE A 123 9.865 -2.576 14.272 1.00 0.00 H ATOM 1923 HB3 PHE A 123 8.625 -1.675 15.176 1.00 0.00 H ATOM 1924 HD2 PHE A 123 8.139 0.511 14.584 1.00 0.00 H ATOM 1925 HE2 PHE A 123 8.635 2.561 13.283 1.00 0.00 H ATOM 1926 HZ PHE A 123 10.694 2.676 11.916 1.00 0.00 H ATOM 1927 HE1 PHE A 123 12.313 0.797 11.951 1.00 0.00 H ATOM 1928 HD1 PHE A 123 11.840 -1.207 13.322 1.00 0.00 H ATOM 1929 H PHE A 123 9.946 0.205 16.682 1.00 0.00 H ATOM 1930 N MET A 124 12.854 -1.150 16.174 1.00 17.88 N ATOM 1931 CA MET A 124 14.291 -1.423 16.105 1.00 15.51 C ATOM 1932 C MET A 124 14.870 -1.784 17.490 1.00 16.83 C ATOM 1933 O MET A 124 15.722 -2.660 17.634 1.00 17.05 O ATOM 1934 CB MET A 124 15.019 -0.199 15.520 1.00 20.96 C ATOM 1935 CG MET A 124 14.639 0.112 14.082 1.00 19.25 C ATOM 1936 SD MET A 124 15.543 1.547 13.385 1.00 24.81 S ATOM 1937 CE MET A 124 17.079 0.752 12.945 1.00 33.74 C ATOM 1938 HA MET A 124 14.445 -2.284 15.455 1.00 0.00 H ATOM 1939 HB2 MET A 124 14.780 0.669 16.134 1.00 0.00 H ATOM 1940 HB3 MET A 124 16.092 -0.386 15.559 1.00 0.00 H ATOM 1941 HG2 MET A 124 13.571 0.325 14.045 1.00 0.00 H ATOM 1942 HG3 MET A 124 14.855 -0.764 13.470 1.00 0.00 H ATOM 1943 HE1 MET A 124 17.537 0.329 13.839 1.00 0.00 H ATOM 1944 HE2 MET A 124 16.882 -0.043 12.225 1.00 0.00 H ATOM 1945 HE3 MET A 124 17.753 1.486 12.503 1.00 0.00 H ATOM 1946 H MET A 124 12.520 -0.213 16.478 1.00 0.00 H ATOM 1947 N LEU A 125 14.401 -1.116 18.517 1.00 15.03 N ATOM 1948 CA LEU A 125 15.047 -1.253 19.819 1.00 11.80 C ATOM 1949 C LEU A 125 14.666 -2.580 20.502 1.00 14.63 C ATOM 1950 O LEU A 125 15.483 -3.193 21.170 1.00 12.94 O ATOM 1951 CB LEU A 125 14.664 -0.093 20.749 1.00 17.64 C ATOM 1952 CG LEU A 125 15.146 1.310 20.366 1.00 16.18 C ATOM 1953 CD1 LEU A 125 14.714 2.311 21.403 1.00 19.69 C ATOM 1954 CD2 LEU A 125 16.651 1.306 20.176 1.00 14.45 C ATOM 1955 HA LEU A 125 16.122 -1.239 19.639 1.00 0.00 H ATOM 1956 HB2 LEU A 125 13.576 -0.062 20.801 1.00 0.00 H ATOM 1957 HB3 LEU A 125 15.067 -0.319 21.736 1.00 0.00 H ATOM 1958 HG LEU A 125 14.692 1.604 19.420 1.00 0.00 H ATOM 1959 HD21 LEU A 125 17.132 1.001 21.105 1.00 0.00 H ATOM 1960 HD22 LEU A 125 16.914 0.606 19.383 1.00 0.00 H ATOM 1961 HD23 LEU A 125 16.984 2.308 19.904 1.00 0.00 H ATOM 1962 HD11 LEU A 125 13.626 2.314 21.472 1.00 0.00 H ATOM 1963 HD12 LEU A 125 15.140 2.039 22.369 1.00 0.00 H ATOM 1964 HD13 LEU A 125 15.064 3.303 21.117 1.00 0.00 H ATOM 1965 H LEU A 125 13.575 -0.494 18.405 1.00 0.00 H ATOM 1966 N TRP A 126 13.414 -2.983 20.379 1.00 13.90 N ATOM 1967 CA TRP A 126 12.972 -4.209 21.058 1.00 15.91 C ATOM 1968 C TRP A 126 13.672 -5.492 20.516 1.00 18.72 C ATOM 1969 O TRP A 126 14.193 -6.283 21.296 1.00 14.91 O ATOM 1970 CB TRP A 126 11.444 -4.345 21.041 1.00 18.69 C ATOM 1971 CG TRP A 126 10.769 -3.622 22.210 1.00 25.67 C ATOM 1972 CD1 TRP A 126 9.897 -2.553 22.149 1.00 27.40 C ATOM 1973 CD2 TRP A 126 10.930 -3.916 23.614 1.00 21.47 C ATOM 1974 NE1 TRP A 126 9.500 -2.191 23.429 1.00 21.87 N ATOM 1975 CE2 TRP A 126 10.125 -3.003 24.339 1.00 24.95 C ATOM 1976 CE3 TRP A 126 11.671 -4.860 24.322 1.00 32.74 C ATOM 1977 CZ2 TRP A 126 10.045 -3.014 25.735 1.00 29.27 C ATOM 1978 CZ3 TRP A 126 11.586 -4.876 25.709 1.00 47.33 C ATOM 1979 CH2 TRP A 126 10.780 -3.955 26.399 1.00 36.43 C ATOM 1980 HA TRP A 126 13.284 -4.111 22.098 1.00 0.00 H ATOM 1981 HB2 TRP A 126 11.067 -3.926 20.108 1.00 0.00 H ATOM 1982 HB3 TRP A 126 11.188 -5.403 21.092 1.00 0.00 H ATOM 1983 HE1 TRP A 126 8.835 -1.426 23.660 1.00 0.00 H ATOM 1984 HD1 TRP A 126 9.569 -2.065 21.231 1.00 0.00 H ATOM 1985 HZ2 TRP A 126 9.421 -2.300 26.272 1.00 0.00 H ATOM 1986 HH2 TRP A 126 10.740 -3.992 27.488 1.00 0.00 H ATOM 1987 HZ3 TRP A 126 12.155 -5.616 26.272 1.00 0.00 H ATOM 1988 HE3 TRP A 126 12.306 -5.573 23.797 1.00 0.00 H ATOM 1989 H TRP A 126 12.743 -2.434 19.804 1.00 0.00 H ATOM 1990 N PRO A 127 13.728 -5.685 19.187 1.00 15.52 N ATOM 1991 CA PRO A 127 14.397 -6.907 18.729 1.00 15.39 C ATOM 1992 C PRO A 127 15.876 -6.869 19.081 1.00 20.00 C ATOM 1993 O PRO A 127 16.456 -7.914 19.330 1.00 15.87 O ATOM 1994 CB PRO A 127 14.174 -6.877 17.202 1.00 17.99 C ATOM 1995 CG PRO A 127 12.986 -6.039 17.009 1.00 14.54 C ATOM 1996 CD PRO A 127 13.076 -4.985 18.073 1.00 16.44 C ATOM 1997 HA PRO A 127 14.012 -7.816 19.191 1.00 0.00 H ATOM 1998 HD3 PRO A 127 13.677 -4.140 17.737 1.00 0.00 H ATOM 1999 HD2 PRO A 127 12.085 -4.633 18.359 1.00 0.00 H ATOM 2000 HG3 PRO A 127 12.077 -6.629 17.130 1.00 0.00 H ATOM 2001 HG2 PRO A 127 12.994 -5.585 16.018 1.00 0.00 H ATOM 2002 HB2 PRO A 127 15.036 -6.442 16.697 1.00 0.00 H ATOM 2003 HB3 PRO A 127 14.000 -7.883 16.820 1.00 0.00 H ATOM 2004 N LEU A 128 16.478 -5.683 19.114 1.00 15.58 N ATOM 2005 CA LEU A 128 17.879 -5.574 19.483 1.00 16.54 C ATOM 2006 C LEU A 128 18.068 -5.945 20.962 1.00 16.90 C ATOM 2007 O LEU A 128 19.052 -6.591 21.336 1.00 18.52 O ATOM 2008 CB LEU A 128 18.393 -4.152 19.241 1.00 17.91 C ATOM 2009 CG LEU A 128 19.877 -3.896 19.537 1.00 14.35 C ATOM 2010 CD1 LEU A 128 20.812 -4.799 18.725 1.00 17.00 C ATOM 2011 CD2 LEU A 128 20.241 -2.426 19.319 1.00 21.00 C ATOM 2012 HA LEU A 128 18.449 -6.265 18.862 1.00 0.00 H ATOM 2013 HB2 LEU A 128 18.219 -3.911 18.192 1.00 0.00 H ATOM 2014 HB3 LEU A 128 17.810 -3.478 19.869 1.00 0.00 H ATOM 2015 HG LEU A 128 20.022 -4.145 20.588 1.00 0.00 H ATOM 2016 HD21 LEU A 128 20.041 -2.153 18.283 1.00 0.00 H ATOM 2017 HD22 LEU A 128 19.642 -1.802 19.982 1.00 0.00 H ATOM 2018 HD23 LEU A 128 21.299 -2.279 19.537 1.00 0.00 H ATOM 2019 HD11 LEU A 128 20.601 -5.842 18.959 1.00 0.00 H ATOM 2020 HD12 LEU A 128 20.650 -4.625 17.661 1.00 0.00 H ATOM 2021 HD13 LEU A 128 21.847 -4.570 18.979 1.00 0.00 H ATOM 2022 H LEU A 128 15.941 -4.826 18.873 1.00 0.00 H ATOM 2023 N PHE A 129 17.116 -5.512 21.799 1.00 12.96 N ATOM 2024 CA PHE A 129 17.123 -5.837 23.222 1.00 14.29 C ATOM 2025 C PHE A 129 16.987 -7.349 23.491 1.00 21.65 C ATOM 2026 O PHE A 129 17.597 -7.860 24.431 1.00 15.79 O ATOM 2027 CB PHE A 129 16.010 -5.036 23.924 1.00 18.53 C ATOM 2028 CG PHE A 129 15.941 -5.250 25.398 1.00 19.84 C ATOM 2029 CD1 PHE A 129 16.947 -4.773 26.222 1.00 15.55 C ATOM 2030 CD2 PHE A 129 14.873 -5.939 25.956 1.00 19.91 C ATOM 2031 CE1 PHE A 129 16.882 -4.967 27.601 1.00 19.90 C ATOM 2032 CE2 PHE A 129 14.805 -6.142 27.320 1.00 23.55 C ATOM 2033 CZ PHE A 129 15.812 -5.660 28.142 1.00 21.23 C ATOM 2034 HA PHE A 129 18.093 -5.554 23.632 1.00 0.00 H ATOM 2035 HB2 PHE A 129 16.183 -3.976 23.740 1.00 0.00 H ATOM 2036 HB3 PHE A 129 15.053 -5.327 23.491 1.00 0.00 H ATOM 2037 HD2 PHE A 129 14.082 -6.323 25.312 1.00 0.00 H ATOM 2038 HE2 PHE A 129 13.961 -6.681 27.750 1.00 0.00 H ATOM 2039 HZ PHE A 129 15.761 -5.827 29.218 1.00 0.00 H ATOM 2040 HE1 PHE A 129 17.667 -4.576 28.248 1.00 0.00 H ATOM 2041 HD1 PHE A 129 17.795 -4.242 25.789 1.00 0.00 H ATOM 2042 H PHE A 129 16.345 -4.924 21.422 1.00 0.00 H ATOM 2043 N GLU A 130 16.217 -8.053 22.661 1.00 16.46 N ATOM 2044 CA GLU A 130 16.123 -9.523 22.756 1.00 16.76 C ATOM 2045 C GLU A 130 17.479 -10.201 22.643 1.00 17.56 C ATOM 2046 O GLU A 130 17.781 -11.126 23.407 1.00 20.47 O ATOM 2047 CB GLU A 130 15.183 -10.080 21.688 1.00 18.80 C ATOM 2048 CG GLU A 130 15.025 -11.600 21.725 1.00 27.48 C ATOM 2049 CD GLU A 130 14.069 -12.110 20.637 1.00 39.58 C ATOM 2050 OE1 GLU A 130 13.611 -11.306 19.798 1.00 23.50 O ATOM 2051 OE2 GLU A 130 13.757 -13.314 20.610 1.00 32.43 O ATOM 2052 HA GLU A 130 15.721 -9.742 23.745 1.00 0.00 H ATOM 2053 HB2 GLU A 130 14.200 -9.630 21.829 1.00 0.00 H ATOM 2054 HB3 GLU A 130 15.573 -9.800 20.709 1.00 0.00 H ATOM 2055 HG2 GLU A 130 16.003 -12.059 21.577 1.00 0.00 H ATOM 2056 HG3 GLU A 130 14.634 -11.889 22.700 1.00 0.00 H ATOM 2057 H GLU A 130 15.670 -7.555 21.930 1.00 0.00 H ATOM 2058 N ILE A 131 18.292 -9.775 21.677 1.00 14.49 N ATOM 2059 CA ILE A 131 19.565 -10.440 21.445 1.00 17.54 C ATOM 2060 C ILE A 131 20.765 -9.805 22.167 1.00 19.84 C ATOM 2061 O ILE A 131 21.823 -10.412 22.246 1.00 20.86 O ATOM 2062 CB ILE A 131 19.837 -10.582 19.909 1.00 21.87 C ATOM 2063 CG1 ILE A 131 20.111 -9.224 19.270 1.00 18.61 C ATOM 2064 CG2 ILE A 131 18.639 -11.248 19.226 1.00 23.42 C ATOM 2065 CD1 ILE A 131 20.678 -9.344 17.889 1.00 24.79 C ATOM 2066 HA ILE A 131 19.465 -11.429 21.891 1.00 0.00 H ATOM 2067 HB ILE A 131 20.722 -11.204 19.777 1.00 0.00 H ATOM 2068 HG12 ILE A 131 19.175 -8.667 19.217 1.00 0.00 H ATOM 2069 HG13 ILE A 131 20.821 -8.681 19.894 1.00 0.00 H ATOM 2070 HD11 ILE A 131 21.619 -9.892 17.930 1.00 0.00 H ATOM 2071 HD12 ILE A 131 19.972 -9.879 17.253 1.00 0.00 H ATOM 2072 HD13 ILE A 131 20.854 -8.348 17.482 1.00 0.00 H ATOM 2073 HG21 ILE A 131 18.481 -12.237 19.656 1.00 0.00 H ATOM 2074 HG22 ILE A 131 17.749 -10.637 19.379 1.00 0.00 H ATOM 2075 HG23 ILE A 131 18.837 -11.342 18.158 1.00 0.00 H ATOM 2076 H ILE A 131 18.016 -8.964 21.087 1.00 0.00 H ATOM 2077 N ALA A 132 20.610 -8.580 22.672 1.00 19.35 N ATOM 2078 CA ALA A 132 21.714 -7.862 23.288 1.00 20.26 C ATOM 2079 C ALA A 132 21.195 -6.975 24.443 1.00 21.54 C ATOM 2080 O ALA A 132 21.295 -5.748 24.402 1.00 19.36 O ATOM 2081 CB ALA A 132 22.460 -7.023 22.227 1.00 21.04 C ATOM 2082 HA ALA A 132 22.419 -8.580 23.707 1.00 0.00 H ATOM 2083 HB1 ALA A 132 22.850 -7.683 21.452 1.00 0.00 H ATOM 2084 HB2 ALA A 132 21.770 -6.306 21.782 1.00 0.00 H ATOM 2085 HB3 ALA A 132 23.284 -6.490 22.701 1.00 0.00 H ATOM 2086 H ALA A 132 19.675 -8.127 22.624 1.00 0.00 H ATOM 2087 N PRO A 133 20.604 -7.597 25.471 1.00 22.69 N ATOM 2088 CA PRO A 133 19.955 -6.820 26.543 1.00 20.28 C ATOM 2089 C PRO A 133 20.919 -5.912 27.306 1.00 15.48 C ATOM 2090 O PRO A 133 20.472 -4.892 27.819 1.00 21.04 O ATOM 2091 CB PRO A 133 19.336 -7.910 27.458 1.00 19.76 C ATOM 2092 CG PRO A 133 20.084 -9.150 27.152 1.00 21.02 C ATOM 2093 CD PRO A 133 20.461 -9.052 25.684 1.00 21.09 C ATOM 2094 HA PRO A 133 19.217 -6.123 26.146 1.00 0.00 H ATOM 2095 HD3 PRO A 133 21.399 -9.571 25.485 1.00 0.00 H ATOM 2096 HD2 PRO A 133 19.677 -9.465 25.050 1.00 0.00 H ATOM 2097 HG3 PRO A 133 19.457 -10.025 27.326 1.00 0.00 H ATOM 2098 HG2 PRO A 133 20.979 -9.217 27.771 1.00 0.00 H ATOM 2099 HB2 PRO A 133 19.456 -7.641 28.507 1.00 0.00 H ATOM 2100 HB3 PRO A 133 18.277 -8.038 27.236 1.00 0.00 H ATOM 2101 N GLU A 134 22.206 -6.254 27.341 1.00 20.78 N ATOM 2102 CA GLU A 134 23.198 -5.473 28.090 1.00 21.71 C ATOM 2103 C GLU A 134 23.907 -4.449 27.210 1.00 26.95 C ATOM 2104 O GLU A 134 24.932 -3.901 27.600 1.00 20.70 O ATOM 2105 CB GLU A 134 24.294 -6.377 28.642 1.00 27.39 C ATOM 2106 CG GLU A 134 23.809 -7.528 29.508 1.00 30.69 C ATOM 2107 CD GLU A 134 23.322 -7.042 30.833 1.00 38.74 C ATOM 2108 OE1 GLU A 134 24.076 -6.289 31.500 1.00 57.28 O ATOM 2109 OE2 GLU A 134 22.179 -7.380 31.193 1.00 56.21 O ATOM 2110 HA GLU A 134 22.641 -4.976 28.884 1.00 0.00 H ATOM 2111 HB2 GLU A 134 24.842 -6.797 27.798 1.00 0.00 H ATOM 2112 HB3 GLU A 134 24.967 -5.764 29.242 1.00 0.00 H ATOM 2113 HG2 GLU A 134 22.994 -8.039 28.996 1.00 0.00 H ATOM 2114 HG3 GLU A 134 24.632 -8.225 29.666 1.00 0.00 H ATOM 2115 H GLU A 134 22.517 -7.100 26.822 1.00 0.00 H ATOM 2116 N LEU A 135 23.414 -4.246 26.000 1.00 19.60 N ATOM 2117 CA LEU A 135 24.078 -3.320 25.059 1.00 20.38 C ATOM 2118 C LEU A 135 24.268 -1.863 25.570 1.00 21.73 C ATOM 2119 O LEU A 135 23.364 -1.240 26.119 1.00 16.37 O ATOM 2120 CB LEU A 135 23.313 -3.322 23.731 1.00 17.75 C ATOM 2121 CG LEU A 135 24.042 -2.671 22.559 1.00 22.18 C ATOM 2122 CD1 LEU A 135 23.732 -3.360 21.320 1.00 16.76 C ATOM 2123 CD2 LEU A 135 23.593 -1.220 22.451 1.00 23.52 C ATOM 2124 HA LEU A 135 25.093 -3.699 24.938 1.00 0.00 H ATOM 2125 HB2 LEU A 135 23.103 -4.358 23.464 1.00 0.00 H ATOM 2126 HB3 LEU A 135 22.374 -2.790 23.882 1.00 0.00 H ATOM 2127 HG LEU A 135 25.117 -2.727 22.730 1.00 0.00 H ATOM 2128 HD21 LEU A 135 22.516 -1.186 22.284 1.00 0.00 H ATOM 2129 HD22 LEU A 135 23.835 -0.696 23.376 1.00 0.00 H ATOM 2130 HD23 LEU A 135 24.107 -0.743 21.617 1.00 0.00 H ATOM 2131 HD11 LEU A 135 24.044 -4.401 21.397 1.00 0.00 H ATOM 2132 HD12 LEU A 135 22.658 -3.314 21.139 1.00 0.00 H ATOM 2133 HD13 LEU A 135 24.262 -2.880 20.497 1.00 0.00 H ATOM 2134 H LEU A 135 22.549 -4.744 25.707 1.00 0.00 H ATOM 2135 N VAL A 136 25.474 -1.345 25.364 1.00 21.93 N ATOM 2136 CA VAL A 136 25.826 0.042 25.656 1.00 24.02 C ATOM 2137 C VAL A 136 26.232 0.710 24.346 1.00 22.47 C ATOM 2138 O VAL A 136 27.033 0.168 23.569 1.00 24.24 O ATOM 2139 CB VAL A 136 27.037 0.132 26.607 1.00 29.73 C ATOM 2140 CG1 VAL A 136 27.365 1.606 26.957 1.00 26.10 C ATOM 2141 CG2 VAL A 136 26.780 -0.672 27.850 1.00 33.45 C ATOM 2142 HA VAL A 136 24.967 0.523 26.125 1.00 0.00 H ATOM 2143 HB VAL A 136 27.906 -0.285 26.098 1.00 0.00 H ATOM 2144 HG11 VAL A 136 27.598 2.152 26.043 1.00 0.00 H ATOM 2145 HG12 VAL A 136 26.504 2.063 27.445 1.00 0.00 H ATOM 2146 HG13 VAL A 136 28.223 1.636 27.629 1.00 0.00 H ATOM 2147 HG21 VAL A 136 25.897 -0.283 28.357 1.00 0.00 H ATOM 2148 HG22 VAL A 136 26.615 -1.715 27.579 1.00 0.00 H ATOM 2149 HG23 VAL A 136 27.642 -0.600 28.513 1.00 0.00 H ATOM 2150 H VAL A 136 26.211 -1.964 24.971 1.00 0.00 H ATOM 2151 N PHE A 137 25.659 1.873 24.093 1.00 19.96 N ATOM 2152 CA PHE A 137 26.051 2.675 22.938 1.00 18.08 C ATOM 2153 C PHE A 137 27.388 3.364 23.129 1.00 21.88 C ATOM 2154 O PHE A 137 27.878 3.498 24.260 1.00 21.00 O ATOM 2155 CB PHE A 137 24.982 3.689 22.656 1.00 21.98 C ATOM 2156 CG PHE A 137 23.697 3.081 22.188 1.00 19.40 C ATOM 2157 CD1 PHE A 137 22.769 2.624 23.081 1.00 23.24 C ATOM 2158 CD2 PHE A 137 23.409 2.992 20.844 1.00 23.74 C ATOM 2159 CE1 PHE A 137 21.572 2.067 22.637 1.00 28.40 C ATOM 2160 CE2 PHE A 137 22.219 2.451 20.411 1.00 24.99 C ATOM 2161 CZ PHE A 137 21.304 1.999 21.306 1.00 25.27 C ATOM 2162 HA PHE A 137 26.166 2.000 22.090 1.00 0.00 H ATOM 2163 HB2 PHE A 137 24.787 4.250 23.570 1.00 0.00 H ATOM 2164 HB3 PHE A 137 25.344 4.369 21.885 1.00 0.00 H ATOM 2165 HD2 PHE A 137 24.132 3.355 20.114 1.00 0.00 H ATOM 2166 HE2 PHE A 137 22.011 2.385 19.343 1.00 0.00 H ATOM 2167 HZ PHE A 137 20.358 1.583 20.959 1.00 0.00 H ATOM 2168 HE1 PHE A 137 20.849 1.685 23.358 1.00 0.00 H ATOM 2169 HD1 PHE A 137 22.967 2.696 24.150 1.00 0.00 H ATOM 2170 H PHE A 137 24.914 2.224 24.729 1.00 0.00 H ATOM 2171 N PRO A 138 28.010 3.797 22.014 1.00 20.86 N ATOM 2172 CA PRO A 138 29.311 4.474 22.096 1.00 25.46 C ATOM 2173 C PRO A 138 29.317 5.715 23.028 1.00 21.60 C ATOM 2174 O PRO A 138 30.340 5.973 23.671 1.00 25.81 O ATOM 2175 CB PRO A 138 29.590 4.854 20.638 1.00 24.89 C ATOM 2176 CG PRO A 138 28.861 3.783 19.835 1.00 28.37 C ATOM 2177 CD PRO A 138 27.591 3.568 20.611 1.00 22.95 C ATOM 2178 HA PRO A 138 30.074 3.834 22.540 1.00 0.00 H ATOM 2179 HD3 PRO A 138 26.823 4.281 20.310 1.00 0.00 H ATOM 2180 HD2 PRO A 138 27.216 2.554 20.475 1.00 0.00 H ATOM 2181 HG3 PRO A 138 29.448 2.866 19.785 1.00 0.00 H ATOM 2182 HG2 PRO A 138 28.647 4.131 18.825 1.00 0.00 H ATOM 2183 HB2 PRO A 138 29.195 5.845 20.413 1.00 0.00 H ATOM 2184 HB3 PRO A 138 30.660 4.835 20.430 1.00 0.00 H ATOM 2185 N ASP A 139 28.206 6.435 23.139 1.00 22.99 N ATOM 2186 CA ASP A 139 28.148 7.577 24.079 1.00 33.35 C ATOM 2187 C ASP A 139 27.855 7.190 25.534 1.00 34.99 C ATOM 2188 O ASP A 139 27.843 8.047 26.414 1.00 33.96 O ATOM 2189 CB ASP A 139 27.129 8.642 23.623 1.00 28.96 C ATOM 2190 CG ASP A 139 25.691 8.187 23.792 1.00 31.81 C ATOM 2191 OD1 ASP A 139 25.459 6.979 24.035 1.00 27.60 O ATOM 2192 OD2 ASP A 139 24.781 9.028 23.671 1.00 28.89 O ATOM 2193 HA ASP A 139 29.156 7.991 24.057 1.00 0.00 H ATOM 2194 HB2 ASP A 139 27.281 9.546 24.213 1.00 0.00 H ATOM 2195 HB3 ASP A 139 27.303 8.864 22.570 1.00 0.00 H ATOM 2196 H ASP A 139 27.374 6.195 22.563 1.00 0.00 H ATOM 2197 N GLY A 140 27.616 5.909 25.796 1.00 32.37 N ATOM 2198 CA GLY A 140 27.398 5.449 27.153 1.00 26.99 C ATOM 2199 C GLY A 140 25.945 5.278 27.559 1.00 24.75 C ATOM 2200 O GLY A 140 25.684 4.788 28.641 1.00 25.39 O ATOM 2201 HA3 GLY A 140 27.854 6.171 27.830 1.00 0.00 H ATOM 2202 HA2 GLY A 140 27.894 4.485 27.265 1.00 0.00 H ATOM 2203 H GLY A 140 27.585 5.225 25.013 1.00 0.00 H ATOM 2204 N GLU A 141 25.002 5.673 26.714 1.00 23.64 N ATOM 2205 CA GLU A 141 23.610 5.321 26.946 1.00 22.64 C ATOM 2206 C GLU A 141 23.448 3.801 26.847 1.00 17.92 C ATOM 2207 O GLU A 141 24.038 3.168 25.975 1.00 19.36 O ATOM 2208 CB GLU A 141 22.690 5.963 25.917 1.00 19.60 C ATOM 2209 CG GLU A 141 22.762 7.510 25.859 1.00 33.42 C ATOM 2210 CD GLU A 141 21.866 8.086 24.761 1.00 18.39 C ATOM 2211 OE1 GLU A 141 20.625 8.067 24.943 1.00 56.64 O ATOM 2212 OE2 GLU A 141 22.390 8.546 23.716 1.00 36.29 O ATOM 2213 HA GLU A 141 23.338 5.683 27.938 1.00 0.00 H ATOM 2214 HB2 GLU A 141 22.955 5.573 24.934 1.00 0.00 H ATOM 2215 HB3 GLU A 141 21.665 5.679 26.154 1.00 0.00 H ATOM 2216 HG2 GLU A 141 22.444 7.913 26.820 1.00 0.00 H ATOM 2217 HG3 GLU A 141 23.792 7.807 25.664 1.00 0.00 H ATOM 2218 H GLU A 141 25.260 6.238 25.880 1.00 0.00 H ATOM 2219 N MET A 142 22.690 3.203 27.764 1.00 21.79 N ATOM 2220 CA MET A 142 22.432 1.759 27.691 1.00 25.36 C ATOM 2221 C MET A 142 21.085 1.537 27.009 1.00 20.42 C ATOM 2222 O MET A 142 20.147 2.312 27.204 1.00 19.13 O ATOM 2223 CB MET A 142 22.461 1.101 29.087 1.00 26.75 C ATOM 2224 CG MET A 142 23.843 0.561 29.512 1.00 29.96 C ATOM 2225 SD MET A 142 23.941 -0.361 31.092 1.00 29.82 S ATOM 2226 CE MET A 142 24.508 -1.971 30.563 1.00 26.81 C ATOM 2227 HA MET A 142 23.223 1.286 27.108 1.00 0.00 H ATOM 2228 HB2 MET A 142 22.145 1.843 29.820 1.00 0.00 H ATOM 2229 HB3 MET A 142 21.756 0.270 29.087 1.00 0.00 H ATOM 2230 HG2 MET A 142 24.518 1.414 29.589 1.00 0.00 H ATOM 2231 HG3 MET A 142 24.190 -0.106 28.723 1.00 0.00 H ATOM 2232 HE1 MET A 142 23.786 -2.398 29.867 1.00 0.00 H ATOM 2233 HE2 MET A 142 25.475 -1.870 30.070 1.00 0.00 H ATOM 2234 HE3 MET A 142 24.607 -2.623 31.431 1.00 0.00 H ATOM 2235 H MET A 142 22.278 3.763 28.538 1.00 0.00 H ATOM 2236 N LEU A 143 21.002 0.499 26.184 1.00 23.55 N ATOM 2237 CA LEU A 143 19.764 0.168 25.473 1.00 22.20 C ATOM 2238 C LEU A 143 18.575 -0.019 26.448 1.00 18.70 C ATOM 2239 O LEU A 143 17.454 0.448 26.218 1.00 17.25 O ATOM 2240 CB LEU A 143 19.962 -1.115 24.651 1.00 18.27 C ATOM 2241 CG LEU A 143 18.740 -1.729 23.937 1.00 19.85 C ATOM 2242 CD1 LEU A 143 18.062 -0.723 23.037 1.00 21.77 C ATOM 2243 CD2 LEU A 143 19.137 -2.979 23.139 1.00 20.53 C ATOM 2244 HA LEU A 143 19.529 1.001 24.811 1.00 0.00 H ATOM 2245 HB2 LEU A 143 20.705 -0.895 23.885 1.00 0.00 H ATOM 2246 HB3 LEU A 143 20.354 -1.874 25.328 1.00 0.00 H ATOM 2247 HG LEU A 143 18.029 -2.024 24.708 1.00 0.00 H ATOM 2248 HD21 LEU A 143 19.880 -2.709 22.389 1.00 0.00 H ATOM 2249 HD22 LEU A 143 19.556 -3.723 23.816 1.00 0.00 H ATOM 2250 HD23 LEU A 143 18.255 -3.390 22.647 1.00 0.00 H ATOM 2251 HD11 LEU A 143 17.724 0.126 23.632 1.00 0.00 H ATOM 2252 HD12 LEU A 143 18.768 -0.380 22.281 1.00 0.00 H ATOM 2253 HD13 LEU A 143 17.206 -1.191 22.551 1.00 0.00 H ATOM 2254 H LEU A 143 21.842 -0.097 26.038 1.00 0.00 H ATOM 2255 N ARG A 144 18.843 -0.728 27.530 1.00 19.49 N ATOM 2256 CA ARG A 144 17.851 -0.957 28.562 1.00 22.49 C ATOM 2257 C ARG A 144 17.269 0.386 29.050 1.00 24.67 C ATOM 2258 O ARG A 144 16.053 0.538 29.204 1.00 19.87 O ATOM 2259 CB ARG A 144 18.534 -1.694 29.706 1.00 21.18 C ATOM 2260 CG ARG A 144 17.656 -2.100 30.833 1.00 22.21 C ATOM 2261 CD ARG A 144 18.413 -1.923 32.150 1.00 24.29 C ATOM 2262 NE ARG A 144 18.597 -0.506 32.478 1.00 23.13 N ATOM 2263 CZ ARG A 144 19.758 0.149 32.488 1.00 22.51 C ATOM 2264 NH1 ARG A 144 20.905 -0.459 32.205 1.00 25.59 N ATOM 2265 NH2 ARG A 144 19.771 1.431 32.788 1.00 24.54 N ATOM 2266 HA ARG A 144 17.025 -1.552 28.173 1.00 0.00 H ATOM 2267 HB2 ARG A 144 18.991 -2.595 29.297 1.00 0.00 H ATOM 2268 HB3 ARG A 144 19.311 -1.043 30.106 1.00 0.00 H ATOM 2269 HG2 ARG A 144 16.761 -1.478 30.840 1.00 0.00 H ATOM 2270 HG3 ARG A 144 17.370 -3.145 30.714 1.00 0.00 H ATOM 2271 HD2 ARG A 144 19.391 -2.397 32.063 1.00 0.00 H ATOM 2272 HD3 ARG A 144 17.849 -2.402 32.950 1.00 0.00 H ATOM 2273 HE ARG A 144 17.745 0.037 32.725 1.00 0.00 H ATOM 2274 HH12 ARG A 144 21.796 0.078 32.221 1.00 0.00 H ATOM 2275 HH11 ARG A 144 20.912 -1.472 31.968 1.00 0.00 H ATOM 2276 HH22 ARG A 144 20.670 1.953 32.799 1.00 0.00 H ATOM 2277 HH21 ARG A 144 18.882 1.921 33.014 1.00 0.00 H ATOM 2278 H ARG A 144 19.794 -1.134 27.645 1.00 0.00 H ATOM 2279 N GLN A 145 18.138 1.370 29.261 1.00 19.02 N ATOM 2280 CA GLN A 145 17.683 2.699 29.747 1.00 24.20 C ATOM 2281 C GLN A 145 16.792 3.425 28.757 1.00 21.61 C ATOM 2282 O GLN A 145 15.788 3.995 29.126 1.00 23.33 O ATOM 2283 CB GLN A 145 18.850 3.608 30.099 1.00 25.48 C ATOM 2284 CG GLN A 145 18.403 4.885 30.803 1.00 38.89 C ATOM 2285 CD GLN A 145 17.962 4.633 32.259 1.00 63.28 C ATOM 2286 OE1 GLN A 145 18.731 4.115 33.069 1.00 48.30 O ATOM 2287 NE2 GLN A 145 16.719 4.999 32.585 1.00 53.14 N ATOM 2288 HA GLN A 145 17.101 2.481 30.642 1.00 0.00 H ATOM 2289 HB2 GLN A 145 19.530 3.066 30.756 1.00 0.00 H ATOM 2290 HB3 GLN A 145 19.372 3.879 29.181 1.00 0.00 H ATOM 2291 HG2 GLN A 145 19.233 5.592 30.806 1.00 0.00 H ATOM 2292 HG3 GLN A 145 17.565 5.313 30.253 1.00 0.00 H ATOM 2293 HE22 GLN A 145 16.101 5.434 31.871 1.00 0.00 H ATOM 2294 HE21 GLN A 145 16.370 4.849 33.553 1.00 0.00 H ATOM 2295 H GLN A 145 19.150 1.208 29.084 1.00 0.00 H ATOM 2296 N ILE A 146 17.160 3.397 27.486 1.00 24.14 N ATOM 2297 CA ILE A 146 16.338 4.049 26.465 1.00 23.37 C ATOM 2298 C ILE A 146 14.928 3.461 26.434 1.00 22.10 C ATOM 2299 O ILE A 146 13.954 4.204 26.424 1.00 17.64 O ATOM 2300 CB ILE A 146 16.977 3.939 25.090 1.00 20.68 C ATOM 2301 CG1 ILE A 146 18.288 4.732 25.069 1.00 29.68 C ATOM 2302 CG2 ILE A 146 15.981 4.384 24.020 1.00 24.79 C ATOM 2303 CD1 ILE A 146 18.992 4.685 23.745 1.00 31.09 C ATOM 2304 HA ILE A 146 16.269 5.104 26.731 1.00 0.00 H ATOM 2305 HB ILE A 146 17.232 2.903 24.866 1.00 0.00 H ATOM 2306 HG12 ILE A 146 18.066 5.773 25.306 1.00 0.00 H ATOM 2307 HG13 ILE A 146 18.953 4.321 25.829 1.00 0.00 H ATOM 2308 HD11 ILE A 146 19.231 3.650 23.498 1.00 0.00 H ATOM 2309 HD12 ILE A 146 18.344 5.103 22.975 1.00 0.00 H ATOM 2310 HD13 ILE A 146 19.912 5.267 23.803 1.00 0.00 H ATOM 2311 HG21 ILE A 146 15.098 3.746 24.060 1.00 0.00 H ATOM 2312 HG22 ILE A 146 15.692 5.419 24.202 1.00 0.00 H ATOM 2313 HG23 ILE A 146 16.445 4.303 23.037 1.00 0.00 H ATOM 2314 H ILE A 146 18.037 2.910 27.211 1.00 0.00 H ATOM 2315 N LEU A 147 14.815 2.127 26.475 1.00 18.99 N ATOM 2316 CA LEU A 147 13.514 1.464 26.580 1.00 15.87 C ATOM 2317 C LEU A 147 12.761 1.742 27.865 1.00 20.93 C ATOM 2318 O LEU A 147 11.543 1.851 27.846 1.00 22.62 O ATOM 2319 CB LEU A 147 13.677 -0.074 26.443 1.00 18.34 C ATOM 2320 CG LEU A 147 13.960 -0.545 25.037 1.00 17.03 C ATOM 2321 CD1 LEU A 147 14.464 -1.969 25.085 1.00 27.08 C ATOM 2322 CD2 LEU A 147 12.740 -0.463 24.139 1.00 20.95 C ATOM 2323 HA LEU A 147 12.925 1.884 25.764 1.00 0.00 H ATOM 2324 HB2 LEU A 147 14.503 -0.388 27.082 1.00 0.00 H ATOM 2325 HB3 LEU A 147 12.756 -0.547 26.783 1.00 0.00 H ATOM 2326 HG LEU A 147 14.715 0.116 24.611 1.00 0.00 H ATOM 2327 HD21 LEU A 147 11.946 -1.087 24.549 1.00 0.00 H ATOM 2328 HD22 LEU A 147 12.399 0.571 24.085 1.00 0.00 H ATOM 2329 HD23 LEU A 147 13.001 -0.814 23.141 1.00 0.00 H ATOM 2330 HD11 LEU A 147 15.378 -2.010 25.677 1.00 0.00 H ATOM 2331 HD12 LEU A 147 13.706 -2.606 25.540 1.00 0.00 H ATOM 2332 HD13 LEU A 147 14.670 -2.314 24.072 1.00 0.00 H ATOM 2333 H LEU A 147 15.676 1.546 26.431 1.00 0.00 H ATOM 2334 N HIS A 148 13.477 1.806 28.982 1.00 17.87 N ATOM 2335 CA HIS A 148 12.879 2.128 30.265 1.00 26.54 C ATOM 2336 C HIS A 148 12.339 3.570 30.252 1.00 25.98 C ATOM 2337 O HIS A 148 11.204 3.819 30.633 1.00 25.34 O ATOM 2338 CB HIS A 148 13.935 1.917 31.376 1.00 31.73 C ATOM 2339 CG HIS A 148 13.530 2.415 32.728 1.00 56.90 C ATOM 2340 ND1 HIS A 148 12.760 1.672 33.594 1.00 40.26 N ATOM 2341 CD2 HIS A 148 13.811 3.575 33.372 1.00 64.56 C ATOM 2342 CE1 HIS A 148 12.580 2.351 34.714 1.00 42.99 C ATOM 2343 NE2 HIS A 148 13.206 3.510 34.604 1.00 55.04 N ATOM 2344 HA HIS A 148 12.033 1.470 30.463 1.00 0.00 H ATOM 2345 HB2 HIS A 148 14.137 0.849 31.454 1.00 0.00 H ATOM 2346 HB3 HIS A 148 14.846 2.437 31.081 1.00 0.00 H ATOM 2347 HD2 HIS A 148 14.405 4.403 32.985 1.00 0.00 H ATOM 2348 HE1 HIS A 148 12.012 2.013 35.581 1.00 0.00 H ATOM 2349 H HIS A 148 14.499 1.619 28.936 1.00 0.00 H ATOM 2350 N THR A 149 13.144 4.500 29.759 1.00 19.39 N ATOM 2351 CA THR A 149 12.779 5.934 29.729 1.00 23.24 C ATOM 2352 C THR A 149 11.568 6.229 28.833 1.00 28.48 C ATOM 2353 O THR A 149 10.687 6.960 29.225 1.00 26.52 O ATOM 2354 CB THR A 149 13.962 6.781 29.246 1.00 34.91 C ATOM 2355 OG1 THR A 149 15.022 6.702 30.203 1.00 34.22 O ATOM 2356 CG2 THR A 149 13.555 8.244 29.079 1.00 31.16 C ATOM 2357 HA THR A 149 12.512 6.195 30.753 1.00 0.00 H ATOM 2358 HB THR A 149 14.290 6.395 28.281 1.00 0.00 H ATOM 2359 HG1 THR A 149 15.307 5.759 30.301 1.00 0.00 H ATOM 2360 HG23 THR A 149 12.747 8.314 28.351 1.00 0.00 H ATOM 2361 HG21 THR A 149 13.217 8.638 30.038 1.00 0.00 H ATOM 2362 HG22 THR A 149 14.412 8.821 28.730 1.00 0.00 H ATOM 2363 H THR A 149 14.068 4.211 29.379 1.00 0.00 H ATOM 2364 N ARG A 150 11.536 5.661 27.632 1.00 20.30 N ATOM 2365 CA ARG A 150 10.476 5.939 26.653 1.00 20.76 C ATOM 2366 C ARG A 150 9.277 5.006 26.786 1.00 20.56 C ATOM 2367 O ARG A 150 8.220 5.275 26.240 1.00 30.66 O ATOM 2368 CB ARG A 150 11.006 5.768 25.225 1.00 23.01 C ATOM 2369 CG ARG A 150 12.086 6.740 24.800 1.00 36.13 C ATOM 2370 CD ARG A 150 11.531 8.164 24.646 1.00 26.34 C ATOM 2371 NE ARG A 150 10.375 8.254 23.740 1.00 17.57 N ATOM 2372 CZ ARG A 150 10.441 8.431 22.425 1.00 21.28 C ATOM 2373 NH1 ARG A 150 11.617 8.510 21.806 1.00 18.25 N ATOM 2374 NH2 ARG A 150 9.314 8.532 21.727 1.00 22.74 N ATOM 2375 HA ARG A 150 10.161 6.963 26.853 1.00 0.00 H ATOM 2376 HB2 ARG A 150 11.410 4.760 25.137 1.00 0.00 H ATOM 2377 HB3 ARG A 150 10.165 5.882 24.541 1.00 0.00 H ATOM 2378 HG2 ARG A 150 12.874 6.746 25.553 1.00 0.00 H ATOM 2379 HG3 ARG A 150 12.500 6.415 23.845 1.00 0.00 H ATOM 2380 HD2 ARG A 150 12.324 8.802 24.257 1.00 0.00 H ATOM 2381 HD3 ARG A 150 11.227 8.523 25.629 1.00 0.00 H ATOM 2382 HE ARG A 150 9.429 8.172 24.164 1.00 0.00 H ATOM 2383 HH12 ARG A 150 11.654 8.649 20.776 1.00 0.00 H ATOM 2384 HH11 ARG A 150 12.498 8.433 22.352 1.00 0.00 H ATOM 2385 HH22 ARG A 150 9.351 8.671 20.697 1.00 0.00 H ATOM 2386 HH21 ARG A 150 8.395 8.472 22.211 1.00 0.00 H ATOM 2387 H ARG A 150 12.291 4.993 27.375 1.00 0.00 H ATOM 2388 N ALA A 151 9.483 3.860 27.415 1.00 22.43 N ATOM 2389 CA ALA A 151 8.402 2.916 27.648 1.00 28.60 C ATOM 2390 C ALA A 151 7.672 2.526 26.356 1.00 30.64 C ATOM 2391 O ALA A 151 6.451 2.447 26.334 1.00 32.45 O ATOM 2392 CB ALA A 151 7.402 3.493 28.695 1.00 33.46 C ATOM 2393 HA ALA A 151 8.848 2.003 28.042 1.00 0.00 H ATOM 2394 HB1 ALA A 151 7.926 3.676 29.633 1.00 0.00 H ATOM 2395 HB2 ALA A 151 6.986 4.428 28.321 1.00 0.00 H ATOM 2396 HB3 ALA A 151 6.597 2.776 28.860 1.00 0.00 H ATOM 2397 H ALA A 151 10.440 3.629 27.750 1.00 0.00 H ATOM 2398 N PHE A 152 8.407 2.267 25.277 1.00 26.41 N ATOM 2399 CA PHE A 152 7.751 1.794 24.052 1.00 23.32 C ATOM 2400 C PHE A 152 7.001 0.463 24.344 1.00 25.77 C ATOM 2401 O PHE A 152 7.471 -0.365 25.118 1.00 25.80 O ATOM 2402 CB PHE A 152 8.766 1.527 22.972 1.00 29.15 C ATOM 2403 CG PHE A 152 9.492 2.740 22.478 1.00 27.61 C ATOM 2404 CD1 PHE A 152 8.841 3.691 21.719 1.00 30.02 C ATOM 2405 CD2 PHE A 152 10.842 2.892 22.724 1.00 19.02 C ATOM 2406 CE1 PHE A 152 9.524 4.785 21.239 1.00 34.55 C ATOM 2407 CE2 PHE A 152 11.535 3.989 22.242 1.00 22.35 C ATOM 2408 CZ PHE A 152 10.878 4.920 21.494 1.00 21.37 C ATOM 2409 HA PHE A 152 7.057 2.566 23.720 1.00 0.00 H ATOM 2410 HB2 PHE A 152 9.503 0.827 23.365 1.00 0.00 H ATOM 2411 HB3 PHE A 152 8.250 1.073 22.126 1.00 0.00 H ATOM 2412 HD2 PHE A 152 11.370 2.137 23.306 1.00 0.00 H ATOM 2413 HE2 PHE A 152 12.597 4.107 22.459 1.00 0.00 H ATOM 2414 HZ PHE A 152 11.422 5.776 21.094 1.00 0.00 H ATOM 2415 HE1 PHE A 152 9.000 5.544 20.659 1.00 0.00 H ATOM 2416 HD1 PHE A 152 7.780 3.575 21.498 1.00 0.00 H ATOM 2417 H PHE A 152 9.438 2.399 25.302 1.00 0.00 H ATOM 2418 N ASP A 153 5.860 0.254 23.703 1.00 26.42 N ATOM 2419 CA ASP A 153 5.132 -1.006 23.835 1.00 37.88 C ATOM 2420 C ASP A 153 5.951 -2.175 23.298 1.00 28.19 C ATOM 2421 O ASP A 153 6.680 -2.017 22.317 1.00 28.71 O ATOM 2422 CB ASP A 153 3.829 -0.934 23.058 1.00 46.31 C ATOM 2423 CG ASP A 153 2.863 0.045 23.654 1.00 72.78 C ATOM 2424 OD1 ASP A 153 2.692 0.006 24.890 1.00 67.94 O ATOM 2425 OD2 ASP A 153 2.290 0.855 22.890 1.00 71.31 O ATOM 2426 HA ASP A 153 4.935 -1.165 24.895 1.00 0.00 H ATOM 2427 HB2 ASP A 153 4.048 -0.631 22.034 1.00 0.00 H ATOM 2428 HB3 ASP A 153 3.369 -1.922 23.053 1.00 0.00 H ATOM 2429 H ASP A 153 5.475 1.003 23.093 1.00 0.00 H ATOM 2430 N LYS A 154 5.857 -3.324 23.959 1.00 33.17 N ATOM 2431 CA LYS A 154 6.483 -4.532 23.457 1.00 28.77 C ATOM 2432 C LYS A 154 5.835 -4.912 22.105 1.00 26.89 C ATOM 2433 O LYS A 154 4.733 -4.466 21.800 1.00 29.59 O ATOM 2434 CB LYS A 154 6.407 -5.656 24.501 1.00 33.05 C ATOM 2435 CG LYS A 154 7.511 -5.560 25.552 1.00 33.67 C ATOM 2436 CD LYS A 154 7.557 -6.734 26.511 1.00 31.00 C ATOM 2437 CE LYS A 154 8.113 -7.984 25.855 1.00 70.76 C ATOM 2438 NZ LYS A 154 9.560 -7.871 25.510 1.00 88.79 N ATOM 2439 HA LYS A 154 7.545 -4.362 23.278 1.00 0.00 H ATOM 2440 HB2 LYS A 154 5.441 -5.601 25.003 1.00 0.00 H ATOM 2441 HB3 LYS A 154 6.495 -6.614 23.989 1.00 0.00 H ATOM 2442 HG2 LYS A 154 8.470 -5.500 25.037 1.00 0.00 H ATOM 2443 HG3 LYS A 154 7.354 -4.650 26.132 1.00 0.00 H ATOM 2444 HD2 LYS A 154 8.189 -6.471 27.359 1.00 0.00 H ATOM 2445 HD3 LYS A 154 6.546 -6.941 26.863 1.00 0.00 H ATOM 2446 HE2 LYS A 154 7.552 -8.175 24.940 1.00 0.00 H ATOM 2447 HE3 LYS A 154 7.984 -8.822 26.540 1.00 0.00 H ATOM 2448 HZ1 LYS A 154 9.697 -7.080 24.848 1.00 0.00 H ATOM 2449 HZ2 LYS A 154 10.109 -7.699 26.376 1.00 0.00 H ATOM 2450 HZ3 LYS A 154 9.879 -8.755 25.066 1.00 0.00 H ATOM 2451 H LYS A 154 5.325 -3.358 24.852 1.00 0.00 H ATOM 2452 N LEU A 155 6.530 -5.698 21.277 1.00 22.31 N ATOM 2453 CA LEU A 155 6.011 -5.986 19.936 1.00 20.30 C ATOM 2454 C LEU A 155 5.398 -7.362 19.914 1.00 25.60 C ATOM 2455 O LEU A 155 5.770 -8.199 20.713 1.00 21.68 O ATOM 2456 CB LEU A 155 7.124 -5.964 18.925 1.00 18.53 C ATOM 2457 CG LEU A 155 8.039 -4.754 18.950 1.00 21.71 C ATOM 2458 CD1 LEU A 155 9.158 -4.953 17.918 1.00 17.61 C ATOM 2459 CD2 LEU A 155 7.204 -3.472 18.727 1.00 21.81 C ATOM 2460 HA LEU A 155 5.268 -5.227 19.690 1.00 0.00 H ATOM 2461 HB2 LEU A 155 7.740 -6.848 19.091 1.00 0.00 H ATOM 2462 HB3 LEU A 155 6.673 -6.018 17.934 1.00 0.00 H ATOM 2463 HG LEU A 155 8.522 -4.640 19.921 1.00 0.00 H ATOM 2464 HD21 LEU A 155 6.703 -3.530 17.761 1.00 0.00 H ATOM 2465 HD22 LEU A 155 6.460 -3.382 19.519 1.00 0.00 H ATOM 2466 HD23 LEU A 155 7.862 -2.603 18.745 1.00 0.00 H ATOM 2467 HD11 LEU A 155 9.726 -5.849 18.168 1.00 0.00 H ATOM 2468 HD12 LEU A 155 8.720 -5.063 16.926 1.00 0.00 H ATOM 2469 HD13 LEU A 155 9.820 -4.087 17.930 1.00 0.00 H ATOM 2470 H LEU A 155 7.437 -6.105 21.583 1.00 0.00 H ATOM 2471 N ASN A 156 4.470 -7.581 18.987 1.00 17.61 N ATOM 2472 CA ASN A 156 3.938 -8.896 18.725 1.00 24.33 C ATOM 2473 C ASN A 156 4.892 -9.635 17.801 1.00 23.78 C ATOM 2474 O ASN A 156 5.503 -9.043 16.891 1.00 20.16 O ATOM 2475 CB ASN A 156 2.579 -8.791 18.035 1.00 22.47 C ATOM 2476 CG ASN A 156 1.533 -8.147 18.896 1.00 45.69 C ATOM 2477 OD1 ASN A 156 1.740 -7.895 20.090 1.00 35.99 O ATOM 2478 ND2 ASN A 156 0.389 -7.882 18.298 1.00 35.81 N ATOM 2479 HA ASN A 156 3.823 -9.428 19.670 1.00 0.00 H ATOM 2480 HB2 ASN A 156 2.695 -8.199 17.127 1.00 0.00 H ATOM 2481 HB3 ASN A 156 2.244 -9.794 17.773 1.00 0.00 H ATOM 2482 HD22 ASN A 156 0.263 -8.112 17.292 1.00 0.00 H ATOM 2483 HD21 ASN A 156 -0.387 -7.442 18.832 1.00 0.00 H ATOM 2484 H ASN A 156 4.116 -6.776 18.432 1.00 0.00 H ATOM 2485 N LYS A 157 5.010 -10.926 18.029 1.00 18.57 N ATOM 2486 CA LYS A 157 5.749 -11.790 17.123 1.00 23.44 C ATOM 2487 C LYS A 157 4.927 -12.023 15.857 1.00 22.95 C ATOM 2488 O LYS A 157 3.692 -11.973 15.876 1.00 22.37 O ATOM 2489 CB LYS A 157 6.137 -13.095 17.823 1.00 25.74 C ATOM 2490 CG LYS A 157 7.287 -12.890 18.789 1.00 27.95 C ATOM 2491 CD LYS A 157 7.539 -14.090 19.693 1.00 37.45 C ATOM 2492 CE LYS A 157 8.733 -13.810 20.618 1.00 50.38 C ATOM 2493 NZ LYS A 157 8.818 -14.759 21.755 1.00 59.34 N ATOM 2494 HA LYS A 157 6.681 -11.308 16.827 1.00 0.00 H ATOM 2495 HB2 LYS A 157 5.275 -13.471 18.374 1.00 0.00 H ATOM 2496 HB3 LYS A 157 6.433 -13.826 17.070 1.00 0.00 H ATOM 2497 HG2 LYS A 157 8.192 -12.695 18.213 1.00 0.00 H ATOM 2498 HG3 LYS A 157 7.063 -12.026 19.415 1.00 0.00 H ATOM 2499 HD2 LYS A 157 6.651 -14.280 20.296 1.00 0.00 H ATOM 2500 HD3 LYS A 157 7.754 -14.965 19.080 1.00 0.00 H ATOM 2501 HE2 LYS A 157 8.636 -12.799 21.015 1.00 0.00 H ATOM 2502 HE3 LYS A 157 9.650 -13.884 20.034 1.00 0.00 H ATOM 2503 HZ1 LYS A 157 7.952 -14.692 22.326 1.00 0.00 H ATOM 2504 HZ2 LYS A 157 8.920 -15.727 21.390 1.00 0.00 H ATOM 2505 HZ3 LYS A 157 9.642 -14.521 22.343 1.00 0.00 H ATOM 2506 H LYS A 157 4.565 -11.336 18.875 1.00 0.00 H ATOM 2507 N TRP A 158 5.634 -12.199 14.746 1.00 23.48 N ATOM 2508 CA TRP A 158 4.993 -12.439 13.454 1.00 24.19 C ATOM 2509 C TRP A 158 4.162 -13.709 13.522 1.00 29.82 C ATOM 2510 O TRP A 158 3.039 -13.847 13.029 1.00 30.23 O ATOM 2511 CB TRP A 158 6.044 -12.610 12.359 1.00 22.38 C ATOM 2512 CG TRP A 158 5.386 -12.664 11.044 1.00 21.10 C ATOM 2513 CD1 TRP A 158 5.021 -13.769 10.376 1.00 26.32 C ATOM 2514 CD2 TRP A 158 4.955 -11.547 10.255 1.00 24.22 C ATOM 2515 NE1 TRP A 158 4.394 -13.430 9.203 1.00 31.22 N ATOM 2516 CE2 TRP A 158 4.344 -12.067 9.108 1.00 27.80 C ATOM 2517 CE3 TRP A 158 5.029 -10.153 10.413 1.00 26.78 C ATOM 2518 CZ2 TRP A 158 3.805 -11.258 8.131 1.00 31.97 C ATOM 2519 CZ3 TRP A 158 4.510 -9.361 9.443 1.00 27.57 C ATOM 2520 CH2 TRP A 158 3.898 -9.906 8.318 1.00 21.78 C ATOM 2521 HA TRP A 158 4.360 -11.583 13.223 1.00 0.00 H ATOM 2522 OXT TRP A 158 4.648 -14.656 14.106 1.00 22.64 O ATOM 2523 HB2 TRP A 158 6.735 -11.767 12.385 1.00 0.00 H ATOM 2524 HB3 TRP A 158 6.595 -13.535 12.527 1.00 0.00 H ATOM 2525 HE1 TRP A 158 4.019 -14.100 8.502 1.00 0.00 H ATOM 2526 HD1 TRP A 158 5.197 -14.789 10.716 1.00 0.00 H ATOM 2527 HZ2 TRP A 158 3.325 -11.678 7.247 1.00 0.00 H ATOM 2528 HH2 TRP A 158 3.481 -9.237 7.565 1.00 0.00 H ATOM 2529 HZ3 TRP A 158 4.573 -8.278 9.546 1.00 0.00 H ATOM 2530 HE3 TRP A 158 5.494 -9.717 11.297 1.00 0.00 H ATOM 2531 H TRP A 158 6.672 -12.165 14.797 1.00 0.00 H TER 2532 TRP A 158 HETATM 2533 O HOH 1 12.033 -12.112 -14.922 1.00 24.56 O HETATM 2534 O HOH 2 24.066 -9.323 -9.344 1.00 21.55 O HETATM 2535 O HOH 3 26.727 8.901 14.536 1.00 31.83 O HETATM 2536 O HOH 4 21.342 -2.247 27.905 1.00 19.47 O HETATM 2537 O HOH 5 13.083 -17.667 1.141 1.00 24.24 O HETATM 2538 O HOH 6 25.689 -12.390 0.202 1.00 23.86 O HETATM 2539 O HOH 7 14.211 -4.030 13.050 1.00 28.39 O HETATM 2540 O HOH 8 28.362 1.502 16.608 1.00 18.40 O HETATM 2541 O HOH 9 22.272 -11.582 -2.380 1.00 28.02 O HETATM 2542 O HOH 10 14.398 7.963 22.552 1.00 26.12 O HETATM 2543 O HOH 11 7.582 7.695 24.714 1.00 34.37 O HETATM 2544 O HOH 12 8.520 -13.010 1.129 1.00 22.51 O HETATM 2545 O HOH 13 21.186 -6.195 33.250 1.00 31.83 O HETATM 2546 O HOH 14 21.799 -1.255 3.456 1.00 27.59 O HETATM 2547 O HOH 15 10.481 -12.782 -6.719 1.00 24.96 O HETATM 2548 O HOH 16 27.941 -3.167 24.632 1.00 31.93 O HETATM 2549 O HOH 17 25.705 6.716 20.747 1.00 25.73 O HETATM 2550 O HOH 18 19.277 7.020 17.317 1.00 32.26 O HETATM 2551 O HOH 19 28.649 0.335 21.604 1.00 33.37 O HETATM 2552 O HOH 20 12.907 -11.928 -5.035 1.00 32.32 O HETATM 2553 O HOH 21 21.894 1.660 2.829 1.00 29.26 O HETATM 2554 O HOH 22 5.146 -14.643 4.742 1.00 29.37 O HETATM 2555 O HOH 23 19.502 -15.912 -0.489 1.00 32.25 O HETATM 2556 O HOH 24 16.419 -11.939 25.752 1.00 36.08 O HETATM 2557 O HOH 25 8.869 7.693 18.704 1.00 26.62 O HETATM 2558 O HOH 26 21.163 -10.371 30.506 1.00 43.01 O HETATM 2559 O HOH 27 23.988 -8.331 25.921 1.00 32.55 O HETATM 2560 O HOH 28 3.805 -5.371 17.319 1.00 28.10 O HETATM 2561 O HOH 29 1.395 -11.558 14.573 1.00 30.08 O HETATM 2562 O HOH 30 34.528 -9.350 17.645 1.00 51.97 O HETATM 2563 O HOH 31 8.733 -6.477 -3.533 1.00 33.76 O HETATM 2564 O HOH 32 9.865 -15.488 15.408 1.00 30.31 O HETATM 2565 O HOH 33 26.772 -11.345 -5.853 1.00 27.16 O HETATM 2566 O HOH 34 3.397 -14.683 6.868 1.00 33.16 O HETATM 2567 O HOH 35 24.682 9.521 6.490 1.00 33.09 O HETATM 2568 O HOH 36 19.914 -5.155 30.446 1.00 26.19 O HETATM 2569 O HOH 37 23.413 -20.803 4.180 1.00 46.37 O HETATM 2570 O HOH 38 7.410 -15.375 14.807 1.00 36.33 O HETATM 2571 O HOH 39 1.905 -15.812 12.087 1.00 46.83 O HETATM 2572 O HOH 40 25.812 11.958 10.135 1.00 39.99 O HETATM 2573 O HOH 41 24.223 8.918 15.378 1.00 33.24 O HETATM 2574 O HOH 42 25.312 4.722 0.116 1.00 27.69 O HETATM 2575 O HOH 43 7.176 -0.125 20.121 1.00 25.57 O HETATM 2576 O HOH 44 4.112 -3.956 -0.083 1.00 47.12 O HETATM 2577 O HOH 45 23.939 -13.145 -2.036 1.00 31.95 O HETATM 2578 O HOH 46 31.008 5.811 4.541 1.00 44.31 O HETATM 2579 O HOH 47 3.076 -7.256 5.942 1.00 34.19 O HETATM 2580 O HOH 48 9.373 -3.203 -12.835 1.00 40.97 O HETATM 2581 O HOH 49 7.995 3.152 18.100 1.00 23.06 O HETATM 2582 O HOH 50 2.504 -16.707 15.038 1.00 40.78 O HETATM 2583 O HOH 51 25.844 -12.495 20.249 1.00 37.35 O HETATM 2584 O HOH 52 36.023 -4.488 11.402 1.00 37.69 O HETATM 2585 O HOH 53 25.078 -10.120 20.691 1.00 34.89 O HETATM 2586 O HOH 54 1.392 -13.123 6.036 1.00 48.63 O HETATM 2587 O HOH 55 7.164 -10.074 22.090 1.00 43.64 O HETATM 2588 O HOH 56 3.823 -10.906 -0.623 1.00 42.21 O HETATM 2589 O HOH 57 12.251 -0.685 33.653 1.00 38.09 O HETATM 2590 O HOH 58 34.127 -14.445 10.301 1.00 50.51 O HETATM 2591 O HOH 59 23.038 -16.939 19.517 1.00 34.04 O HETATM 2592 O HOH 60 32.328 -5.288 18.410 1.00 43.56 O HETATM 2593 O HOH 61 10.455 0.763 -5.041 1.00 42.41 O HETATM 2594 O HOH 62 9.933 8.981 28.422 1.00 39.78 O HETATM 2595 O HOH 63 9.128 -6.823 22.407 1.00 42.44 O HETATM 2596 O HOH 64 21.563 6.395 10.089 1.00 31.64 O HETATM 2597 O HOH 65 4.158 -0.169 4.830 1.00 41.77 O HETATM 2598 O HOH 66 23.068 -4.857 33.103 1.00 42.04 O HETATM 2599 O HOH 67 34.783 5.925 17.011 1.00 44.89 O HETATM 2600 O HOH 68 13.975 6.468 7.730 1.00 54.32 O HETATM 2601 O HOH 69 34.315 11.352 9.370 1.00 49.16 O HETATM 2602 O HOH 70 35.801 -11.325 13.109 1.00 56.70 O HETATM 2603 O HOH 71 7.667 -22.103 -0.076 1.00 40.62 O HETATM 2604 O HOH 72 5.286 -13.210 -1.514 1.00 58.32 O HETATM 2605 O HOH 73 31.870 11.029 13.340 1.00 45.52 O HETATM 2606 O HOH 74 16.593 10.811 16.551 1.00 42.34 O HETATM 2607 O HOH 75 33.510 8.751 10.791 1.00 37.21 O HETATM 2608 O HOH 76 38.633 -6.606 4.420 1.00 47.79 O HETATM 2609 O HOH 77 20.776 5.861 28.822 1.00 37.80 O HETATM 2610 O HOH 78 7.798 0.473 17.309 1.00 42.27 O HETATM 2611 O HOH 79 5.918 3.453 7.053 1.00 46.02 O HETATM 2612 O HOH 80 16.238 -4.300 15.061 1.00 32.96 O HETATM 2613 O HOH 81 5.438 0.567 14.380 1.00 41.53 O HETATM 2614 O HOH 82 2.143 -13.038 18.394 1.00 53.36 O HETATM 2615 O HOH 83 35.177 -15.456 4.156 1.00 53.02 O HETATM 2616 O HOH 84 26.641 -16.836 8.948 1.00 35.57 O HETATM 2617 O HOH 85 21.797 -11.506 33.159 1.00 44.08 O HETATM 2618 O HOH 86 10.898 9.180 14.520 1.00 39.80 O HETATM 2619 O HOH 87 29.458 -16.497 7.079 1.00 43.56 O HETATM 2620 O HOH 88 4.581 2.736 14.400 1.00 59.63 O HETATM 2621 O HOH 89 27.037 9.043 19.219 1.00 43.79 O HETATM 2622 O HOH 90 7.300 8.229 27.228 1.00 48.67 O HETATM 2623 O HOH 91 28.403 -3.045 21.261 1.00 53.75 O HETATM 2624 O HOH 92 33.164 11.747 4.734 1.00 36.45 O HETATM 2625 O HOH 93 9.622 -19.462 5.037 1.00 42.08 O HETATM 2626 O HOH 94 34.178 -7.994 0.405 1.00 34.79 O HETATM 2627 O HOH 95 15.122 -13.762 -5.878 1.00 54.89 O HETATM 2628 O HOH 96 33.402 1.460 -1.165 1.00 40.32 O HETATM 2629 O HOH 97 36.736 -0.820 11.637 1.00 47.02 O HETATM 2630 O HOH 98 12.005 -7.984 22.911 1.00 42.86 O HETATM 2631 O HOH 99 17.951 -0.686 -3.635 1.00 47.94 O HETATM 2632 O HOH 100 27.043 -0.174 19.817 1.00 50.67 O HETATM 2633 O HOH 101 15.791 -1.360 -7.544 1.00 41.90 O HETATM 2634 O HOH 102 24.417 -18.624 4.680 1.00 50.91 O HETATM 2635 O HOH 103 25.970 -7.216 24.814 1.00 48.52 O HETATM 2636 O HOH 104 18.379 0.934 4.176 1.00 44.15 O HETATM 2637 O HOH 105 20.510 9.517 21.604 1.00 40.12 O HETATM 2638 O HOH 106 19.640 1.286 1.906 1.00 44.67 O HETATM 2639 C1 J A 1 20.703 5.866 2.485 1.00 0.10 C HETATM 2640 O1 J A 1 20.962 5.696 3.864 1.00 -0.34 O HETATM 2641 C4 J A 1 22.372 5.740 3.959 1.00 0.20 C HETATM 2642 N1 J A 1 22.682 5.295 5.271 1.00 -0.19 N HETATM 2643 C5 J A 1 23.202 6.110 6.258 1.00 0.11 C HETATM 2644 N2 J A 1 23.374 5.470 7.397 1.00 -0.30 N HETATM 2645 C6 J A 1 22.939 4.199 7.165 1.00 0.10 C HETATM 2646 C7 J A 1 22.883 3.098 8.016 1.00 0.13 C HETATM 2647 N3 J A 1 23.333 3.254 9.281 1.00 -0.32 N HETATM 2648 H5 J A 1 23.679 4.172 9.595 1.00 0.18 H HETATM 2649 H6 J A 1 23.330 2.455 9.931 1.00 0.18 H HETATM 2650 N4 J A 1 22.401 1.892 7.519 1.00 -0.27 N HETATM 2651 C8 J A 1 21.996 1.878 6.210 1.00 0.05 C HETATM 2652 N5 J A 1 22.005 2.881 5.299 1.00 -0.27 N HETATM 2653 C9 J A 1 22.492 4.032 5.830 1.00 0.16 C HETATM 2654 H11 J A 1 21.614 0.929 5.852 1.00 0.10 H HETATM 2655 H9 J A 1 23.442 7.162 6.111 1.00 0.13 H HETATM 2656 C3 J A 1 22.924 4.870 2.781 1.00 0.14 C HETATM 2657 C2 J A 1 21.721 4.929 1.776 1.00 0.11 C HETATM 2658 O2 J A 1 22.195 5.436 0.582 1.00 -0.39 O HETATM 2659 H3 J A 1 22.633 6.264 0.742 1.00 0.21 H HETATM 2660 H2 J A 1 21.280 3.935 1.609 1.00 0.06 H HETATM 2661 O3 J A 1 24.123 5.352 2.280 1.00 -0.38 O HETATM 2662 H7 J A 1 24.375 4.842 1.519 1.00 0.21 H HETATM 2663 H4 J A 1 23.089 3.834 3.111 1.00 0.07 H HETATM 2664 H8 J A 1 22.740 6.769 3.838 1.00 0.10 H HETATM 2665 C10 J A 1 19.200 5.758 2.158 1.00 0.02 C HETATM 2666 S1 J A 1 18.316 4.201 2.415 1.00 -0.15 S HETATM 2667 C11 J A 1 17.063 4.525 3.732 1.00 0.01 C HETATM 2668 C12 J A 1 15.705 3.959 3.303 1.00 -0.00 C HETATM 2669 C13 J A 1 14.687 4.159 4.445 1.00 -0.03 C HETATM 2670 N6 J A 1 15.140 3.743 5.812 1.00 0.24 N HETATM 2671 C14 J A 1 16.538 4.146 6.143 1.00 -0.03 C HETATM 2672 C15 J A 1 17.540 3.858 5.033 1.00 -0.00 C HETATM 2673 H25 J A 1 18.524 4.261 5.313 1.00 0.03 H HETATM 2674 H26 J A 1 17.618 2.771 4.881 1.00 0.03 H HETATM 2675 H23 J A 1 16.852 3.599 7.044 1.00 0.08 H HETATM 2676 H24 J A 1 16.548 5.227 6.348 1.00 0.08 H HETATM 2677 C16 J A 1 14.857 2.325 6.151 1.00 0.01 C HETATM 2678 C27 J A 1 13.591 2.344 7.030 1.00 0.01 C HETATM 2679 N28 J A 1 12.452 2.425 6.077 1.00 0.26 N HETATM 2680 C18 J A 1 11.359 3.213 6.613 1.00 0.06 C HETATM 2681 C21 J A 1 10.439 2.471 7.564 1.00 0.19 C HETATM 2682 N11 J A 1 10.766 1.271 8.145 1.00 -0.16 N HETATM 2683 C26 J A 1 9.796 0.761 8.985 1.00 0.26 C HETATM 2684 C20 J A 1 10.072 -0.512 9.663 1.00 0.28 C HETATM 2685 O4 J A 1 11.071 -1.191 9.570 1.00 -0.35 O HETATM 2686 N10 J A 1 9.023 -0.982 10.518 1.00 -0.24 N HETATM 2687 C19 J A 1 7.833 -0.255 10.669 1.00 0.21 C HETATM 2688 N8 J A 1 7.557 0.937 10.051 1.00 -0.20 N HETATM 2689 C25 J A 1 8.555 1.428 9.214 1.00 0.29 C HETATM 2690 N12 J A 1 8.254 2.647 8.587 1.00 -0.16 N HETATM 2691 C22 J A 1 9.196 3.124 7.784 1.00 0.13 C HETATM 2692 H31 J A 1 9.008 4.059 7.269 1.00 0.13 H HETATM 2693 H12 J A 1 6.668 1.437 10.197 1.00 0.26 H HETATM 2694 N9 J A 1 6.852 -0.758 11.498 1.00 -0.33 N HETATM 2695 H13 J A 1 7.001 -1.650 11.990 1.00 0.18 H HETATM 2696 H14 J A 1 5.970 -0.241 11.625 1.00 0.18 H HETATM 2697 H17 J A 1 9.141 -1.842 11.015 1.00 0.18 H HETATM 2698 H29 J A 1 11.789 4.070 7.153 1.00 0.13 H HETATM 2699 H30 J A 1 10.755 3.577 5.769 1.00 0.13 H HETATM 2700 H34 J A 1 12.772 2.850 5.221 1.00 0.21 H HETATM 2701 H35 J A 1 12.120 1.493 5.886 1.00 0.21 H HETATM 2702 H32 J A 1 13.598 3.219 7.697 1.00 0.09 H HETATM 2703 H33 J A 1 13.526 1.425 7.631 1.00 0.09 H HETATM 2704 H27 J A 1 15.701 1.889 6.705 1.00 0.09 H HETATM 2705 H28 J A 1 14.678 1.741 5.236 1.00 0.09 H HETATM 2706 H10 J A 1 14.562 4.277 6.442 1.00 0.20 H HETATM 2707 H21 J A 1 14.434 5.229 4.486 1.00 0.08 H HETATM 2708 H22 J A 1 13.786 3.578 4.198 1.00 0.08 H HETATM 2709 H19 J A 1 15.806 2.886 3.085 1.00 0.03 H HETATM 2710 H20 J A 1 15.355 4.485 2.402 1.00 0.03 H HETATM 2711 H18 J A 1 16.968 5.609 3.891 1.00 0.04 H HETATM 2712 H15 J A 1 19.090 6.011 1.093 1.00 0.04 H HETATM 2713 H16 J A 1 18.689 6.516 2.770 1.00 0.04 H HETATM 2714 H1 J A 1 20.982 6.894 2.210 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 2639 2640 2657 2665 2714 CONECT 2640 2639 2641 CONECT 2641 2640 2642 2656 2664 CONECT 2642 2641 2643 2653 CONECT 2643 2642 2644 2655 CONECT 2644 2643 2645 CONECT 2645 2644 2646 2653 CONECT 2646 2645 2647 2650 CONECT 2647 2646 2648 2649 CONECT 2648 2647 CONECT 2649 2647 CONECT 2650 2646 2651 CONECT 2651 2650 2652 2654 CONECT 2652 2651 2653 CONECT 2653 2642 2645 2652 CONECT 2654 2651 CONECT 2655 2643 CONECT 2656 2641 2657 2661 2663 CONECT 2657 2639 2656 2658 2660 CONECT 2658 2657 2659 CONECT 2659 2658 CONECT 2660 2657 CONECT 2661 2656 2662 CONECT 2662 2661 CONECT 2663 2656 CONECT 2664 2641 CONECT 2665 2639 2666 2712 2713 CONECT 2666 2665 2667 CONECT 2667 2666 2668 2672 2711 CONECT 2668 2667 2669 2709 2710 CONECT 2669 2668 2670 2707 2708 CONECT 2670 2669 2671 2677 2706 CONECT 2671 2670 2672 2675 2676 CONECT 2672 2667 2671 2673 2674 CONECT 2673 2672 CONECT 2674 2672 CONECT 2675 2671 CONECT 2676 2671 CONECT 2677 2670 2678 2704 2705 CONECT 2678 2677 2679 2702 2703 CONECT 2679 2678 2680 2700 2701 CONECT 2680 2679 2681 2698 2699 CONECT 2681 2680 2682 2691 CONECT 2682 2681 2683 CONECT 2683 2682 2684 2689 CONECT 2684 2683 2685 2686 CONECT 2685 2684 CONECT 2686 2684 2687 2697 CONECT 2687 2686 2688 2694 CONECT 2688 2687 2689 2693 CONECT 2689 2683 2688 2690 CONECT 2690 2689 2691 CONECT 2691 2681 2690 2692 CONECT 2692 2691 CONECT 2693 2688 CONECT 2694 2687 2695 2696 CONECT 2695 2694 CONECT 2696 2694 CONECT 2697 2686 CONECT 2698 2680 CONECT 2699 2680 CONECT 2700 2679 CONECT 2701 2679 CONECT 2702 2678 CONECT 2703 2678 CONECT 2704 2677 CONECT 2705 2677 CONECT 2706 2670 CONECT 2707 2669 CONECT 2708 2669 CONECT 2709 2668 CONECT 2710 2668 CONECT 2711 2667 CONECT 2712 2665 CONECT 2713 2665 CONECT 2714 2639 MASTER 0 0 0 0 0 0 0 0 2713 1 80 13 END
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4m5m
RCSB PDB
PDBbind
162aa, >4M5M_1|Chain... at 100%
4m5n
RCSB PDB
PDBbind
162aa, >4M5N_1|Chains... at 100%
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RCSB PDB
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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
3ud5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E. coli 6-Hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK)
Ligand Name
J1A
EC.Number
E.C.2.7.6.3
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd>150uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem. Vol. 20: pp. 47-57
Ligand Properties
Formula
C
2
4
H
3
5
N
1
2
O
4
S
Molecular Weight
587.678
Exact Mass
587.262
No. of atoms
76
No. of bonds
81
Polar Surface Area
264.46
LOGP Value
-1.42 (
Computed with XLOGP3
)
-1.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 6
Canonical SMILES
Nc1[nH]c(=O)c2c([nH+]1)ncc(n2)C[NH2+]CC[N@@H+]1CC[C@@H](CC1)SC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/p+3/t14-,17-,18-,23-/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):
P26281
Entrez Gene ID
NCBI Entrez Gene ID:
948792
ASD
Information of known allosteric effects of PDB entries
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