Browse entries in the PDBbind-CN Database
HEADER 3IVQ_COMPLEX COMPND 3IVQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 37 GLY SER GLY LYS VAL VAL LYS PHE SER TYR MET TRP THR SEQRES 2 A 37 ILE ASN ASN PHE SER PHE CYS ARG GLU GLU MET GLY GLU SEQRES 3 A 37 VAL ILE LYS SER SER THR PHE SER SER GLY ALA SEQRES 1 A 103 LYS LEU LYS TRP CYS LEU ARG VAL ASN PRO LYS GLY LEU SEQRES 2 A 103 ASP GLU GLU SER LYS ASP TYR LEU SER LEU TYR LEU LEU SEQRES 3 A 103 LEU VAL SER CYS PRO LYS SER GLU VAL ARG ALA LYS PHE SEQRES 4 A 103 LYS PHE SER ILE LEU ASN ALA LYS GLY GLU GLU THR LYS SEQRES 5 A 103 ALA MET GLU SER GLN ARG ALA TYR ARG PHE VAL GLN GLY SEQRES 6 A 103 LYS ASP TRP GLY PHE LYS LYS PHE ILE ARG ARG ASP PHE SEQRES 7 A 103 LEU LEU ASP GLU ALA ASN GLY LEU LEU PRO ASP ASP LYS SEQRES 8 A 103 LEU THR LEU PHE CYS GLU VAL SER VAL VAL GLN ASP HET PRO A 221 102 ATOM 1 N GLY A 25 -3.869 -11.444 14.343 1.00 53.05 N ATOM 2 CA GLY A 25 -2.673 -10.820 13.711 1.00 52.74 C ATOM 3 C GLY A 25 -2.735 -9.310 13.501 1.00 52.75 C ATOM 4 O GLY A 25 -3.409 -8.826 12.583 1.00 53.51 O ATOM 5 HA3 GLY A 25 -2.530 -11.286 12.736 1.00 0.00 H ATOM 6 HA2 GLY A 25 -1.812 -11.033 14.344 1.00 0.00 H ATOM 7 HN3 GLY A 25 -4.704 -11.270 13.749 1.00 0.00 H ATOM 8 HN2 GLY A 25 -4.019 -11.028 15.284 1.00 0.00 H ATOM 9 HN1 GLY A 25 -3.716 -12.468 14.436 1.00 0.00 H ATOM 10 N SER A 26 -2.009 -8.571 14.341 1.00 51.16 N ATOM 11 CA SER A 26 -1.949 -7.107 14.284 1.00 50.17 C ATOM 12 C SER A 26 -0.889 -6.595 13.299 1.00 48.11 C ATOM 13 O SER A 26 0.305 -6.592 13.610 1.00 47.10 O ATOM 14 CB SER A 26 -1.656 -6.562 15.681 1.00 51.92 C ATOM 15 OG SER A 26 -1.166 -7.595 16.524 1.00 55.22 O ATOM 16 HA SER A 26 -2.916 -6.753 13.926 1.00 0.00 H ATOM 17 HB2 SER A 26 -2.573 -6.155 16.107 1.00 0.00 H ATOM 18 HB3 SER A 26 -0.908 -5.772 15.609 1.00 0.00 H ATOM 19 HG SER A 26 -0.982 -7.225 17.424 1.00 0.00 H ATOM 20 H SER A 26 -1.457 -9.059 15.075 1.00 0.00 H ATOM 21 N GLY A 27 -1.335 -6.146 12.123 1.00 45.92 N ATOM 22 CA GLY A 27 -0.407 -5.657 11.112 1.00 42.65 C ATOM 23 C GLY A 27 -0.658 -4.253 10.582 1.00 40.29 C ATOM 24 O GLY A 27 -1.736 -3.681 10.771 1.00 38.96 O ATOM 25 HA3 GLY A 27 -0.447 -6.343 10.266 1.00 0.00 H ATOM 26 HA2 GLY A 27 0.593 -5.674 11.544 1.00 0.00 H ATOM 27 H GLY A 27 -2.356 -6.145 11.927 1.00 0.00 H ATOM 28 N LYS A 28 0.346 -3.706 9.900 1.00 37.10 N ATOM 29 CA LYS A 28 0.273 -2.359 9.329 1.00 33.27 C ATOM 30 C LYS A 28 1.127 -2.215 8.075 1.00 30.96 C ATOM 31 O LYS A 28 2.183 -2.828 7.965 1.00 25.19 O ATOM 32 CB LYS A 28 0.782 -1.320 10.331 1.00 34.11 C ATOM 33 CG LYS A 28 -0.033 -1.253 11.479 1.00 38.35 C ATOM 34 HA LYS A 28 -0.776 -2.196 9.082 1.00 0.00 H ATOM 35 HB2 LYS A 28 1.795 -1.588 10.633 1.00 0.00 H ATOM 36 HB3 LYS A 28 0.794 -0.342 9.850 1.00 0.00 H ATOM 37 HG2 LYS A 28 -1.047 -0.979 11.188 1.00 0.00 H ATOM 38 HG3 LYS A 28 -0.045 -2.225 11.971 1.00 0.00 H ATOM 39 H LYS A 28 1.218 -4.257 9.767 1.00 0.00 H ATOM 40 N VAL A 29 0.664 -1.397 7.134 1.00 29.08 N ATOM 41 CA VAL A 29 1.432 -1.121 5.929 1.00 29.03 C ATOM 42 C VAL A 29 2.248 0.088 6.366 1.00 28.83 C ATOM 43 O VAL A 29 1.718 1.195 6.512 1.00 30.23 O ATOM 44 CB VAL A 29 0.540 -0.724 4.740 1.00 28.09 C ATOM 45 CG1 VAL A 29 1.411 -0.399 3.527 1.00 28.16 C ATOM 46 CG2 VAL A 29 -0.406 -1.853 4.409 1.00 28.22 C ATOM 47 HA VAL A 29 2.004 -1.984 5.587 1.00 0.00 H ATOM 48 HB VAL A 29 -0.042 0.158 5.007 1.00 0.00 H ATOM 49 HG11 VAL A 29 2.077 0.428 3.771 1.00 0.00 H ATOM 50 HG12 VAL A 29 2.001 -1.276 3.260 1.00 0.00 H ATOM 51 HG13 VAL A 29 0.774 -0.119 2.688 1.00 0.00 H ATOM 52 HG21 VAL A 29 0.168 -2.742 4.148 1.00 0.00 H ATOM 53 HG22 VAL A 29 -1.033 -2.066 5.275 1.00 0.00 H ATOM 54 HG23 VAL A 29 -1.034 -1.564 3.566 1.00 0.00 H ATOM 55 H VAL A 29 -0.264 -0.946 7.262 1.00 0.00 H ATOM 56 N VAL A 30 3.537 -0.132 6.575 1.00 27.84 N ATOM 57 CA VAL A 30 4.431 0.906 7.059 1.00 30.06 C ATOM 58 C VAL A 30 5.271 1.608 5.984 1.00 29.76 C ATOM 59 O VAL A 30 5.894 2.640 6.252 1.00 28.69 O ATOM 60 CB VAL A 30 5.338 0.280 8.159 1.00 31.34 C ATOM 61 CG1 VAL A 30 6.379 1.259 8.634 1.00 32.85 C ATOM 62 CG2 VAL A 30 4.453 -0.169 9.339 1.00 29.22 C ATOM 63 HA VAL A 30 3.806 1.706 7.456 1.00 0.00 H ATOM 64 HB VAL A 30 5.862 -0.578 7.737 1.00 0.00 H ATOM 65 HG11 VAL A 30 7.007 1.556 7.794 1.00 0.00 H ATOM 66 HG12 VAL A 30 5.886 2.138 9.049 1.00 0.00 H ATOM 67 HG13 VAL A 30 6.994 0.789 9.401 1.00 0.00 H ATOM 68 HG21 VAL A 30 3.924 0.694 9.744 1.00 0.00 H ATOM 69 HG22 VAL A 30 3.732 -0.908 8.990 1.00 0.00 H ATOM 70 HG23 VAL A 30 5.080 -0.609 10.115 1.00 0.00 H ATOM 71 H VAL A 30 3.922 -1.079 6.386 1.00 0.00 H ATOM 72 N LYS A 31 5.266 1.052 4.775 1.00 27.99 N ATOM 73 CA LYS A 31 6.023 1.595 3.648 1.00 27.97 C ATOM 74 C LYS A 31 5.362 1.250 2.327 1.00 26.21 C ATOM 75 O LYS A 31 4.826 0.157 2.157 1.00 22.45 O ATOM 76 CB LYS A 31 7.437 1.013 3.600 1.00 30.50 C ATOM 77 CG LYS A 31 8.375 1.467 4.684 1.00 36.53 C ATOM 78 CD LYS A 31 9.583 0.530 4.802 1.00 41.07 C ATOM 79 CE LYS A 31 10.237 0.195 3.445 1.00 42.75 C ATOM 80 NZ LYS A 31 10.788 1.380 2.740 1.00 45.44 N ATOM 81 HA LYS A 31 6.055 2.675 3.793 1.00 0.00 H ATOM 82 HB2 LYS A 31 7.354 -0.072 3.664 1.00 0.00 H ATOM 83 HB3 LYS A 31 7.878 1.286 2.641 1.00 0.00 H ATOM 84 HG2 LYS A 31 8.726 2.473 4.452 1.00 0.00 H ATOM 85 HG3 LYS A 31 7.841 1.480 5.634 1.00 0.00 H ATOM 86 HD2 LYS A 31 10.330 1.007 5.437 1.00 0.00 H ATOM 87 HD3 LYS A 31 9.255 -0.400 5.266 1.00 0.00 H ATOM 88 HE2 LYS A 31 9.486 -0.268 2.805 1.00 0.00 H ATOM 89 HE3 LYS A 31 11.049 -0.511 3.619 1.00 0.00 H ATOM 90 HZ1 LYS A 31 10.022 2.060 2.556 1.00 0.00 H ATOM 91 HZ2 LYS A 31 11.516 1.828 3.333 1.00 0.00 H ATOM 92 HZ3 LYS A 31 11.211 1.080 1.838 1.00 0.00 H ATOM 93 H LYS A 31 4.699 0.193 4.625 1.00 0.00 H ATOM 94 N PHE A 32 5.419 2.176 1.378 1.00 25.00 N ATOM 95 CA PHE A 32 4.858 1.912 0.065 1.00 24.35 C ATOM 96 C PHE A 32 5.430 2.884 -0.951 1.00 24.41 C ATOM 97 O PHE A 32 5.838 3.999 -0.611 1.00 22.31 O ATOM 98 CB PHE A 32 3.331 2.007 0.081 1.00 24.26 C ATOM 99 CG PHE A 32 2.823 3.378 0.381 1.00 26.25 C ATOM 100 CD1 PHE A 32 2.497 3.744 1.675 1.00 27.23 C ATOM 101 CD2 PHE A 32 2.694 4.319 -0.637 1.00 29.82 C ATOM 102 CE1 PHE A 32 2.057 5.029 1.958 1.00 25.53 C ATOM 103 CE2 PHE A 32 2.255 5.607 -0.362 1.00 27.94 C ATOM 104 CZ PHE A 32 1.934 5.957 0.938 1.00 28.17 C ATOM 105 HA PHE A 32 5.128 0.894 -0.217 1.00 0.00 H ATOM 106 HB2 PHE A 32 2.956 1.706 -0.897 1.00 0.00 H ATOM 107 HB3 PHE A 32 2.950 1.324 0.840 1.00 0.00 H ATOM 108 HD2 PHE A 32 2.941 4.041 -1.662 1.00 0.00 H ATOM 109 HE2 PHE A 32 2.164 6.338 -1.165 1.00 0.00 H ATOM 110 HZ PHE A 32 1.584 6.965 1.159 1.00 0.00 H ATOM 111 HE1 PHE A 32 1.808 5.308 2.982 1.00 0.00 H ATOM 112 HD1 PHE A 32 2.587 3.015 2.480 1.00 0.00 H ATOM 113 H PHE A 32 5.867 3.094 1.575 1.00 0.00 H ATOM 114 N SER A 33 5.450 2.443 -2.204 1.00 23.93 N ATOM 115 CA SER A 33 5.976 3.246 -3.291 1.00 24.35 C ATOM 116 C SER A 33 4.940 3.398 -4.384 1.00 25.68 C ATOM 117 O SER A 33 4.396 2.412 -4.892 1.00 26.41 O ATOM 118 CB SER A 33 7.242 2.602 -3.858 1.00 22.71 C ATOM 119 OG SER A 33 8.235 2.482 -2.853 1.00 23.44 O ATOM 120 HA SER A 33 6.224 4.234 -2.903 1.00 0.00 H ATOM 121 HB2 SER A 33 7.626 3.220 -4.669 1.00 0.00 H ATOM 122 HB3 SER A 33 6.999 1.611 -4.242 1.00 0.00 H ATOM 123 HG SER A 33 9.045 2.064 -3.239 1.00 0.00 H ATOM 124 H SER A 33 5.078 1.494 -2.411 1.00 0.00 H ATOM 125 N TYR A 34 4.670 4.646 -4.742 1.00 24.41 N ATOM 126 CA TYR A 34 3.698 4.945 -5.778 1.00 24.90 C ATOM 127 C TYR A 34 4.410 5.472 -7.023 1.00 25.58 C ATOM 128 O TYR A 34 5.207 6.420 -6.953 1.00 24.69 O ATOM 129 CB TYR A 34 2.702 5.973 -5.243 1.00 26.37 C ATOM 130 CG TYR A 34 1.577 6.336 -6.182 1.00 29.43 C ATOM 131 CD1 TYR A 34 0.457 5.516 -6.321 1.00 29.98 C ATOM 132 CD2 TYR A 34 1.616 7.530 -6.904 1.00 28.58 C ATOM 133 CE1 TYR A 34 -0.608 5.890 -7.152 1.00 32.35 C ATOM 134 CE2 TYR A 34 0.575 7.908 -7.728 1.00 31.94 C ATOM 135 CZ TYR A 34 -0.538 7.090 -7.851 1.00 33.14 C ATOM 136 OH TYR A 34 -1.588 7.506 -8.646 1.00 36.18 O ATOM 137 HA TYR A 34 3.158 4.040 -6.056 1.00 0.00 H ATOM 138 HB3 TYR A 34 3.252 6.884 -5.009 1.00 0.00 H ATOM 139 HB2 TYR A 34 2.262 5.572 -4.330 1.00 0.00 H ATOM 140 HD2 TYR A 34 2.488 8.178 -6.815 1.00 0.00 H ATOM 141 HE2 TYR A 34 0.628 8.846 -8.280 1.00 0.00 H ATOM 142 HE1 TYR A 34 -1.482 5.247 -7.249 1.00 0.00 H ATOM 143 HD1 TYR A 34 0.410 4.573 -5.777 1.00 0.00 H ATOM 144 HH TYR A 34 -2.302 6.820 -8.633 1.00 0.00 H ATOM 145 H TYR A 34 5.166 5.429 -4.270 1.00 0.00 H ATOM 146 N MET A 35 4.130 4.847 -8.160 1.00 23.71 N ATOM 147 CA MET A 35 4.726 5.260 -9.417 1.00 27.26 C ATOM 148 C MET A 35 3.629 5.955 -10.221 1.00 29.32 C ATOM 149 O MET A 35 2.508 5.451 -10.325 1.00 28.32 O ATOM 150 CB MET A 35 5.275 4.045 -10.161 1.00 29.28 C ATOM 151 CG MET A 35 5.996 4.357 -11.457 1.00 30.05 C ATOM 152 SD MET A 35 6.578 2.820 -12.237 1.00 35.48 S ATOM 153 CE MET A 35 5.066 2.259 -13.012 1.00 33.88 C ATOM 154 HA MET A 35 5.563 5.940 -9.257 1.00 0.00 H ATOM 155 HB2 MET A 35 5.974 3.532 -9.501 1.00 0.00 H ATOM 156 HB3 MET A 35 4.440 3.383 -10.390 1.00 0.00 H ATOM 157 HG2 MET A 35 6.850 5.001 -11.248 1.00 0.00 H ATOM 158 HG3 MET A 35 5.313 4.869 -12.135 1.00 0.00 H ATOM 159 HE1 MET A 35 4.304 2.104 -12.248 1.00 0.00 H ATOM 160 HE2 MET A 35 4.723 3.011 -13.723 1.00 0.00 H ATOM 161 HE3 MET A 35 5.254 1.321 -13.535 1.00 0.00 H ATOM 162 H MET A 35 3.469 4.044 -8.150 1.00 0.00 H ATOM 163 N TRP A 36 3.960 7.121 -10.766 1.00 29.74 N ATOM 164 CA TRP A 36 3.001 7.926 -11.517 1.00 32.10 C ATOM 165 C TRP A 36 3.566 8.456 -12.835 1.00 31.23 C ATOM 166 O TRP A 36 4.575 9.152 -12.851 1.00 27.96 O ATOM 167 CB TRP A 36 2.545 9.092 -10.633 1.00 32.98 C ATOM 168 CG TRP A 36 1.565 10.010 -11.287 1.00 37.90 C ATOM 169 CD1 TRP A 36 0.676 9.694 -12.275 1.00 39.07 C ATOM 170 CD2 TRP A 36 1.333 11.386 -10.963 1.00 40.27 C ATOM 171 NE1 TRP A 36 -0.097 10.785 -12.583 1.00 40.65 N ATOM 172 CE2 TRP A 36 0.278 11.839 -11.790 1.00 41.14 C ATOM 173 CE3 TRP A 36 1.901 12.279 -10.040 1.00 40.78 C ATOM 174 CZ2 TRP A 36 -0.214 13.149 -11.739 1.00 42.21 C ATOM 175 CZ3 TRP A 36 1.409 13.589 -9.984 1.00 43.37 C ATOM 176 CH2 TRP A 36 0.356 14.005 -10.828 1.00 42.39 C ATOM 177 HA TRP A 36 2.160 7.285 -11.781 1.00 0.00 H ATOM 178 HB2 TRP A 36 2.082 8.681 -9.736 1.00 0.00 H ATOM 179 HB3 TRP A 36 3.424 9.673 -10.353 1.00 0.00 H ATOM 180 HE1 TRP A 36 -0.847 10.809 -13.303 1.00 0.00 H ATOM 181 HD1 TRP A 36 0.593 8.716 -12.750 1.00 0.00 H ATOM 182 HZ2 TRP A 36 -1.019 13.477 -12.397 1.00 0.00 H ATOM 183 HH2 TRP A 36 -0.013 15.028 -10.755 1.00 0.00 H ATOM 184 HZ3 TRP A 36 1.845 14.297 -9.279 1.00 0.00 H ATOM 185 HE3 TRP A 36 2.708 11.959 -9.381 1.00 0.00 H ATOM 186 H TRP A 36 4.933 7.471 -10.654 1.00 0.00 H ATOM 187 N THR A 37 2.907 8.124 -13.941 1.00 34.17 N ATOM 188 CA THR A 37 3.365 8.580 -15.251 1.00 35.75 C ATOM 189 C THR A 37 2.421 9.587 -15.882 1.00 37.58 C ATOM 190 O THR A 37 1.219 9.342 -16.010 1.00 36.75 O ATOM 191 CB THR A 37 3.538 7.417 -16.244 1.00 36.19 C ATOM 192 OG1 THR A 37 4.526 6.510 -15.750 1.00 37.18 O ATOM 193 CG2 THR A 37 3.994 7.945 -17.617 1.00 36.38 C ATOM 194 HA THR A 37 4.328 9.053 -15.059 1.00 0.00 H ATOM 195 HB THR A 37 2.580 6.909 -16.353 1.00 0.00 H ATOM 196 HG1 THR A 37 5.388 6.987 -15.646 1.00 0.00 H ATOM 197 HG23 THR A 37 3.248 8.639 -18.004 1.00 0.00 H ATOM 198 HG21 THR A 37 4.948 8.460 -17.508 1.00 0.00 H ATOM 199 HG22 THR A 37 4.108 7.109 -18.307 1.00 0.00 H ATOM 200 H THR A 37 2.055 7.532 -13.873 1.00 0.00 H ATOM 201 N ILE A 38 2.992 10.723 -16.268 1.00 37.24 N ATOM 202 CA ILE A 38 2.261 11.803 -16.913 1.00 38.41 C ATOM 203 C ILE A 38 2.654 11.808 -18.392 1.00 37.54 C ATOM 204 O ILE A 38 3.774 12.182 -18.748 1.00 36.02 O ATOM 205 CB ILE A 38 2.627 13.152 -16.274 1.00 38.94 C ATOM 206 CG1 ILE A 38 2.256 13.121 -14.788 1.00 40.95 C ATOM 207 CG2 ILE A 38 1.919 14.279 -17.000 1.00 39.18 C ATOM 208 CD1 ILE A 38 2.698 14.334 -14.014 1.00 43.74 C ATOM 209 HA ILE A 38 1.187 11.654 -16.797 1.00 0.00 H ATOM 210 HB ILE A 38 3.699 13.327 -16.359 1.00 0.00 H ATOM 211 HG12 ILE A 38 1.172 13.041 -14.708 1.00 0.00 H ATOM 212 HG13 ILE A 38 2.718 12.242 -14.339 1.00 0.00 H ATOM 213 HD11 ILE A 38 3.783 14.424 -14.071 1.00 0.00 H ATOM 214 HD12 ILE A 38 2.235 15.224 -14.440 1.00 0.00 H ATOM 215 HD13 ILE A 38 2.395 14.229 -12.972 1.00 0.00 H ATOM 216 HG21 ILE A 38 2.223 14.283 -18.047 1.00 0.00 H ATOM 217 HG22 ILE A 38 0.841 14.131 -16.934 1.00 0.00 H ATOM 218 HG23 ILE A 38 2.185 15.230 -16.539 1.00 0.00 H ATOM 219 H ILE A 38 4.011 10.846 -16.101 1.00 0.00 H ATOM 220 N ASN A 39 1.727 11.376 -19.240 1.00 37.34 N ATOM 221 CA ASN A 39 1.954 11.300 -20.676 1.00 37.06 C ATOM 222 C ASN A 39 1.922 12.659 -21.362 1.00 36.90 C ATOM 223 O ASN A 39 1.298 13.595 -20.859 1.00 33.90 O ATOM 224 CB ASN A 39 0.910 10.383 -21.302 1.00 39.72 C ATOM 225 CG ASN A 39 0.944 8.996 -20.712 1.00 42.49 C ATOM 226 OD1 ASN A 39 1.979 8.330 -20.729 1.00 42.21 O ATOM 227 ND2 ASN A 39 -0.188 8.550 -20.179 1.00 45.71 N ATOM 228 HA ASN A 39 2.958 10.901 -20.822 1.00 0.00 H ATOM 229 HB2 ASN A 39 -0.079 10.811 -21.136 1.00 0.00 H ATOM 230 HB3 ASN A 39 1.100 10.314 -22.373 1.00 0.00 H ATOM 231 HD22 ASN A 39 -1.038 9.149 -20.188 1.00 0.00 H ATOM 232 HD21 ASN A 39 -0.224 7.602 -19.753 1.00 0.00 H ATOM 233 H ASN A 39 0.804 11.081 -18.863 1.00 0.00 H ATOM 234 N ASN A 40 2.601 12.760 -22.507 1.00 35.89 N ATOM 235 CA ASN A 40 2.661 14.013 -23.268 1.00 36.78 C ATOM 236 C ASN A 40 2.916 15.195 -22.349 1.00 36.06 C ATOM 237 O ASN A 40 2.240 16.213 -22.439 1.00 32.21 O ATOM 238 CB ASN A 40 1.351 14.238 -24.013 1.00 38.32 C ATOM 239 CG ASN A 40 1.097 13.181 -25.043 1.00 40.64 C ATOM 240 OD1 ASN A 40 1.832 13.062 -26.020 1.00 42.05 O ATOM 241 ND2 ASN A 40 0.061 12.385 -24.825 1.00 43.54 N ATOM 242 HA ASN A 40 3.483 13.932 -23.980 1.00 0.00 H ATOM 243 HB2 ASN A 40 0.532 14.231 -23.294 1.00 0.00 H ATOM 244 HB3 ASN A 40 1.390 15.208 -24.508 1.00 0.00 H ATOM 245 HD22 ASN A 40 -0.534 12.524 -23.983 1.00 0.00 H ATOM 246 HD21 ASN A 40 -0.158 11.621 -25.496 1.00 0.00 H ATOM 247 H ASN A 40 3.103 11.925 -22.871 1.00 0.00 H ATOM 248 N PHE A 41 3.902 15.044 -21.471 1.00 36.90 N ATOM 249 CA PHE A 41 4.255 16.071 -20.501 1.00 39.73 C ATOM 250 C PHE A 41 4.463 17.457 -21.107 1.00 42.24 C ATOM 251 O PHE A 41 4.135 18.470 -20.484 1.00 42.01 O ATOM 252 CB PHE A 41 5.508 15.637 -19.727 1.00 40.64 C ATOM 253 CG PHE A 41 5.941 16.619 -18.674 1.00 40.75 C ATOM 254 CD1 PHE A 41 5.171 16.822 -17.532 1.00 40.10 C ATOM 255 CD2 PHE A 41 7.098 17.373 -18.847 1.00 39.34 C ATOM 256 CE1 PHE A 41 5.546 17.763 -16.579 1.00 40.59 C ATOM 257 CE2 PHE A 41 7.481 18.312 -17.901 1.00 40.97 C ATOM 258 CZ PHE A 41 6.701 18.511 -16.761 1.00 39.72 C ATOM 259 HA PHE A 41 3.402 16.167 -19.829 1.00 0.00 H ATOM 260 HB2 PHE A 41 5.300 14.683 -19.243 1.00 0.00 H ATOM 261 HB3 PHE A 41 6.325 15.512 -20.438 1.00 0.00 H ATOM 262 HD2 PHE A 41 7.710 17.224 -19.736 1.00 0.00 H ATOM 263 HE2 PHE A 41 8.391 18.894 -18.048 1.00 0.00 H ATOM 264 HZ PHE A 41 6.997 19.250 -16.017 1.00 0.00 H ATOM 265 HE1 PHE A 41 4.933 17.913 -15.690 1.00 0.00 H ATOM 266 HD1 PHE A 41 4.264 16.237 -17.383 1.00 0.00 H ATOM 267 H PHE A 41 4.444 14.156 -21.477 1.00 0.00 H ATOM 268 N SER A 42 5.014 17.508 -22.316 1.00 45.69 N ATOM 269 CA SER A 42 5.254 18.789 -22.981 1.00 48.98 C ATOM 270 C SER A 42 3.944 19.482 -23.365 1.00 50.14 C ATOM 271 O SER A 42 3.926 20.686 -23.609 1.00 51.09 O ATOM 272 CB SER A 42 6.135 18.591 -24.224 1.00 49.87 C ATOM 273 OG SER A 42 7.492 18.346 -23.865 1.00 50.21 O ATOM 274 HA SER A 42 5.776 19.434 -22.274 1.00 0.00 H ATOM 275 HB2 SER A 42 6.087 19.489 -24.840 1.00 0.00 H ATOM 276 HB3 SER A 42 5.759 17.741 -24.794 1.00 0.00 H ATOM 277 HG SER A 42 7.543 17.528 -23.310 1.00 0.00 H ATOM 278 H SER A 42 5.278 16.624 -22.796 1.00 0.00 H ATOM 279 N PHE A 43 2.859 18.709 -23.412 1.00 51.67 N ATOM 280 CA PHE A 43 1.517 19.208 -23.735 1.00 52.91 C ATOM 281 C PHE A 43 0.901 19.862 -22.496 1.00 53.97 C ATOM 282 O PHE A 43 -0.084 20.593 -22.597 1.00 55.15 O ATOM 283 CB PHE A 43 0.600 18.051 -24.149 1.00 55.80 C ATOM 284 CG PHE A 43 0.520 17.800 -25.639 1.00 58.50 C ATOM 285 CD1 PHE A 43 1.548 18.172 -26.501 1.00 58.54 C ATOM 286 CD2 PHE A 43 -0.583 17.121 -26.171 1.00 59.06 C ATOM 287 CE1 PHE A 43 1.482 17.867 -27.872 1.00 59.45 C ATOM 288 CE2 PHE A 43 -0.660 16.811 -27.538 1.00 58.98 C ATOM 289 CZ PHE A 43 0.373 17.183 -28.388 1.00 58.78 C ATOM 290 HA PHE A 43 1.610 19.925 -24.551 1.00 0.00 H ATOM 291 HB2 PHE A 43 0.966 17.142 -23.672 1.00 0.00 H ATOM 292 HB3 PHE A 43 -0.405 18.270 -23.788 1.00 0.00 H ATOM 293 HD2 PHE A 43 -1.399 16.827 -25.510 1.00 0.00 H ATOM 294 HE2 PHE A 43 -1.527 16.280 -27.931 1.00 0.00 H ATOM 295 HZ PHE A 43 0.322 16.944 -29.450 1.00 0.00 H ATOM 296 HE1 PHE A 43 2.295 18.163 -28.535 1.00 0.00 H ATOM 297 HD1 PHE A 43 2.414 18.706 -26.109 1.00 0.00 H ATOM 298 H PHE A 43 2.970 17.695 -23.208 1.00 0.00 H ATOM 299 N CYS A 44 1.462 19.573 -21.324 1.00 53.24 N ATOM 300 CA CYS A 44 0.952 20.134 -20.074 1.00 52.57 C ATOM 301 C CYS A 44 1.333 21.604 -19.967 1.00 53.65 C ATOM 302 O CYS A 44 2.364 21.951 -19.390 1.00 53.99 O ATOM 303 CB CYS A 44 1.518 19.365 -18.879 1.00 50.68 C ATOM 304 SG CYS A 44 1.077 17.618 -18.859 1.00 48.96 S ATOM 305 HA CYS A 44 -0.134 20.045 -20.070 1.00 0.00 H ATOM 306 HB2 CYS A 44 1.141 19.825 -17.965 1.00 0.00 H ATOM 307 HB3 CYS A 44 2.605 19.445 -18.903 1.00 0.00 H ATOM 308 HG CYS A 44 -0.297 17.492 -18.813 1.00 0.00 H ATOM 309 H CYS A 44 2.282 18.934 -21.297 1.00 0.00 H ATOM 310 N ARG A 45 0.485 22.471 -20.504 1.00 54.22 N ATOM 311 CA ARG A 45 0.775 23.896 -20.494 1.00 56.34 C ATOM 312 C ARG A 45 0.286 24.680 -19.268 1.00 57.25 C ATOM 313 O ARG A 45 0.316 25.912 -19.280 1.00 59.07 O ATOM 314 CB ARG A 45 0.230 24.525 -21.783 1.00 56.94 C ATOM 315 CG ARG A 45 0.681 23.806 -23.064 1.00 56.71 C ATOM 316 CD ARG A 45 2.162 24.003 -23.350 1.00 57.50 C ATOM 317 NE ARG A 45 2.375 24.779 -24.570 1.00 60.20 N ATOM 318 CZ ARG A 45 2.303 24.287 -25.804 1.00 58.85 C ATOM 319 NH1 ARG A 45 2.031 23.005 -25.999 1.00 60.11 N ATOM 320 NH2 ARG A 45 2.480 25.086 -26.846 1.00 56.15 N ATOM 321 HA ARG A 45 1.861 23.970 -20.434 1.00 0.00 H ATOM 322 HB2 ARG A 45 -0.859 24.504 -21.742 1.00 0.00 H ATOM 323 HB3 ARG A 45 0.570 25.559 -21.831 1.00 0.00 H ATOM 324 HG2 ARG A 45 0.484 22.739 -22.955 1.00 0.00 H ATOM 325 HG3 ARG A 45 0.107 24.196 -23.905 1.00 0.00 H ATOM 326 HD2 ARG A 45 2.634 23.027 -23.464 1.00 0.00 H ATOM 327 HD3 ARG A 45 2.618 24.529 -22.511 1.00 0.00 H ATOM 328 HE ARG A 45 2.599 25.789 -24.466 1.00 0.00 H ATOM 329 HH12 ARG A 45 1.976 22.626 -26.966 1.00 0.00 H ATOM 330 HH11 ARG A 45 1.872 22.377 -25.185 1.00 0.00 H ATOM 331 HH22 ARG A 45 2.424 24.702 -27.811 1.00 0.00 H ATOM 332 HH21 ARG A 45 2.675 26.097 -26.699 1.00 0.00 H ATOM 333 H ARG A 45 -0.396 22.128 -20.937 1.00 0.00 H ATOM 334 N GLU A 46 -0.149 23.985 -18.214 1.00 56.15 N ATOM 335 CA GLU A 46 -0.612 24.664 -17.001 1.00 56.57 C ATOM 336 C GLU A 46 0.386 25.755 -16.607 1.00 57.14 C ATOM 337 O GLU A 46 1.593 25.529 -16.625 1.00 57.51 O ATOM 338 CB GLU A 46 -0.759 23.678 -15.833 1.00 56.96 C ATOM 339 CG GLU A 46 -1.958 22.738 -15.926 1.00 58.86 C ATOM 340 CD GLU A 46 -1.654 21.453 -16.675 1.00 59.70 C ATOM 341 OE1 GLU A 46 -0.913 21.505 -17.681 1.00 59.90 O ATOM 342 OE2 GLU A 46 -2.169 20.388 -16.261 1.00 60.12 O ATOM 343 HA GLU A 46 -1.587 25.103 -17.214 1.00 0.00 H ATOM 344 HB2 GLU A 46 0.144 23.070 -15.788 1.00 0.00 H ATOM 345 HB3 GLU A 46 -0.853 24.255 -14.913 1.00 0.00 H ATOM 346 HG2 GLU A 46 -2.278 22.483 -14.916 1.00 0.00 H ATOM 347 HG3 GLU A 46 -2.766 23.257 -16.441 1.00 0.00 H ATOM 348 H GLU A 46 -0.159 22.946 -18.255 1.00 0.00 H ATOM 349 N GLU A 47 -0.115 26.930 -16.244 1.00 57.10 N ATOM 350 CA GLU A 47 0.750 28.045 -15.866 1.00 56.58 C ATOM 351 C GLU A 47 1.153 28.023 -14.389 1.00 56.08 C ATOM 352 O GLU A 47 0.580 27.283 -13.590 1.00 55.91 O ATOM 353 CB GLU A 47 0.062 29.368 -16.208 1.00 57.47 C ATOM 354 HA GLU A 47 1.672 27.942 -16.437 1.00 0.00 H ATOM 355 HB2 GLU A 47 -0.134 29.408 -17.280 1.00 0.00 H ATOM 356 HB3 GLU A 47 -0.879 29.438 -15.663 1.00 0.00 H ATOM 357 H GLU A 47 -1.147 27.059 -16.228 1.00 0.00 H ATOM 358 N MET A 48 2.139 28.845 -14.030 1.00 55.53 N ATOM 359 CA MET A 48 2.622 28.908 -12.654 1.00 55.14 C ATOM 360 C MET A 48 1.492 28.900 -11.639 1.00 54.49 C ATOM 361 O MET A 48 0.606 29.754 -11.675 1.00 55.17 O ATOM 362 CB MET A 48 3.471 30.162 -12.418 1.00 56.69 C ATOM 363 CG MET A 48 3.999 30.251 -10.978 1.00 59.87 C ATOM 364 SD MET A 48 5.005 31.706 -10.607 1.00 63.34 S ATOM 365 CE MET A 48 3.778 32.962 -10.519 1.00 63.90 C ATOM 366 HA MET A 48 3.228 28.013 -12.514 1.00 0.00 H ATOM 367 HB2 MET A 48 4.320 30.144 -13.102 1.00 0.00 H ATOM 368 HB3 MET A 48 2.860 31.042 -12.622 1.00 0.00 H ATOM 369 HG2 MET A 48 4.605 29.366 -10.787 1.00 0.00 H ATOM 370 HG3 MET A 48 3.141 30.255 -10.305 1.00 0.00 H ATOM 371 HE1 MET A 48 3.258 33.028 -11.475 1.00 0.00 H ATOM 372 HE2 MET A 48 3.065 32.717 -9.732 1.00 0.00 H ATOM 373 HE3 MET A 48 4.253 33.917 -10.296 1.00 0.00 H ATOM 374 H MET A 48 2.575 29.457 -14.749 1.00 0.00 H ATOM 375 N GLY A 49 1.527 27.936 -10.727 1.00 52.20 N ATOM 376 CA GLY A 49 0.498 27.867 -9.710 1.00 49.81 C ATOM 377 C GLY A 49 -0.683 26.997 -10.086 1.00 48.28 C ATOM 378 O GLY A 49 -1.585 26.797 -9.275 1.00 48.11 O ATOM 379 HA3 GLY A 49 0.134 28.877 -9.522 1.00 0.00 H ATOM 380 HA2 GLY A 49 0.943 27.467 -8.799 1.00 0.00 H ATOM 381 H GLY A 49 2.292 27.232 -10.743 1.00 0.00 H ATOM 382 N GLU A 50 -0.703 26.504 -11.320 1.00 46.71 N ATOM 383 CA GLU A 50 -1.782 25.623 -11.747 1.00 46.39 C ATOM 384 C GLU A 50 -1.269 24.231 -11.376 1.00 44.80 C ATOM 385 O GLU A 50 -0.059 24.011 -11.360 1.00 42.79 O ATOM 386 CB GLU A 50 -2.008 25.746 -13.255 1.00 48.78 C ATOM 387 CG GLU A 50 -3.478 25.818 -13.650 1.00 53.08 C ATOM 388 CD GLU A 50 -3.677 25.810 -15.148 1.00 55.18 C ATOM 389 OE1 GLU A 50 -3.088 26.676 -15.828 1.00 56.53 O ATOM 390 OE2 GLU A 50 -4.423 24.936 -15.643 1.00 57.50 O ATOM 391 HA GLU A 50 -2.740 25.855 -11.282 1.00 0.00 H ATOM 392 HB2 GLU A 50 -1.513 26.652 -13.605 1.00 0.00 H ATOM 393 HB3 GLU A 50 -1.563 24.878 -13.742 1.00 0.00 H ATOM 394 HG2 GLU A 50 -3.997 24.959 -13.224 1.00 0.00 H ATOM 395 HG3 GLU A 50 -3.904 26.736 -13.246 1.00 0.00 H ATOM 396 H GLU A 50 0.057 26.749 -11.986 1.00 0.00 H ATOM 397 N VAL A 51 -2.160 23.290 -11.084 1.00 43.09 N ATOM 398 CA VAL A 51 -1.694 21.973 -10.663 1.00 41.02 C ATOM 399 C VAL A 51 -2.286 20.754 -11.371 1.00 40.89 C ATOM 400 O VAL A 51 -3.344 20.826 -11.999 1.00 41.87 O ATOM 401 CB VAL A 51 -1.909 21.806 -9.128 1.00 41.40 C ATOM 402 CG1 VAL A 51 -3.396 21.765 -8.808 1.00 39.54 C ATOM 403 CG2 VAL A 51 -1.221 20.552 -8.624 1.00 40.83 C ATOM 404 HA VAL A 51 -0.643 21.975 -10.953 1.00 0.00 H ATOM 405 HB VAL A 51 -1.466 22.663 -8.621 1.00 0.00 H ATOM 406 HG11 VAL A 51 -3.863 22.694 -9.136 1.00 0.00 H ATOM 407 HG12 VAL A 51 -3.855 20.924 -9.327 1.00 0.00 H ATOM 408 HG13 VAL A 51 -3.532 21.648 -7.733 1.00 0.00 H ATOM 409 HG21 VAL A 51 -1.634 19.682 -9.135 1.00 0.00 H ATOM 410 HG22 VAL A 51 -0.152 20.620 -8.825 1.00 0.00 H ATOM 411 HG23 VAL A 51 -1.384 20.456 -7.551 1.00 0.00 H ATOM 412 H VAL A 51 -3.178 23.490 -11.155 1.00 0.00 H ATOM 413 N ILE A 52 -1.570 19.638 -11.269 1.00 39.13 N ATOM 414 CA ILE A 52 -2.002 18.368 -11.835 1.00 37.86 C ATOM 415 C ILE A 52 -2.079 17.384 -10.673 1.00 37.02 C ATOM 416 O ILE A 52 -1.086 17.133 -9.989 1.00 36.13 O ATOM 417 CB ILE A 52 -0.994 17.813 -12.857 1.00 39.33 C ATOM 418 CG1 ILE A 52 -0.832 18.793 -14.019 1.00 39.71 C ATOM 419 CG2 ILE A 52 -1.465 16.448 -13.359 1.00 39.06 C ATOM 420 CD1 ILE A 52 0.247 18.397 -15.015 1.00 40.75 C ATOM 421 HA ILE A 52 -2.953 18.509 -12.349 1.00 0.00 H ATOM 422 HB ILE A 52 -0.023 17.690 -12.376 1.00 0.00 H ATOM 423 HG12 ILE A 52 -1.782 18.857 -14.549 1.00 0.00 H ATOM 424 HG13 ILE A 52 -0.579 19.771 -13.610 1.00 0.00 H ATOM 425 HD11 ILE A 52 1.208 18.340 -14.504 1.00 0.00 H ATOM 426 HD12 ILE A 52 0.004 17.425 -15.444 1.00 0.00 H ATOM 427 HD13 ILE A 52 0.299 19.143 -15.808 1.00 0.00 H ATOM 428 HG21 ILE A 52 -1.542 15.760 -12.517 1.00 0.00 H ATOM 429 HG22 ILE A 52 -2.440 16.554 -13.834 1.00 0.00 H ATOM 430 HG23 ILE A 52 -0.747 16.061 -14.082 1.00 0.00 H ATOM 431 H ILE A 52 -0.662 19.674 -10.763 1.00 0.00 H ATOM 432 N LYS A 53 -3.260 16.840 -10.435 1.00 35.52 N ATOM 433 CA LYS A 53 -3.419 15.893 -9.352 1.00 36.07 C ATOM 434 C LYS A 53 -3.390 14.486 -9.915 1.00 36.16 C ATOM 435 O LYS A 53 -3.789 14.259 -11.056 1.00 37.45 O ATOM 436 CB LYS A 53 -4.744 16.148 -8.618 1.00 34.53 C ATOM 437 HA LYS A 53 -2.604 16.013 -8.639 1.00 0.00 H ATOM 438 HB2 LYS A 53 -4.744 17.160 -8.212 1.00 0.00 H ATOM 439 HB3 LYS A 53 -5.573 16.035 -9.317 1.00 0.00 H ATOM 440 H LYS A 53 -4.077 17.093 -11.027 1.00 0.00 H ATOM 441 N SER A 54 -2.874 13.541 -9.136 1.00 36.83 N ATOM 442 CA SER A 54 -2.867 12.155 -9.588 1.00 35.77 C ATOM 443 C SER A 54 -4.161 11.609 -9.006 1.00 37.09 C ATOM 444 O SER A 54 -4.837 12.308 -8.252 1.00 35.71 O ATOM 445 CB SER A 54 -1.665 11.390 -9.020 1.00 35.20 C ATOM 446 OG SER A 54 -1.769 11.208 -7.614 1.00 33.42 O ATOM 447 HA SER A 54 -2.793 12.060 -10.671 1.00 0.00 H ATOM 448 HB2 SER A 54 -0.756 11.951 -9.237 1.00 0.00 H ATOM 449 HB3 SER A 54 -1.611 10.412 -9.499 1.00 0.00 H ATOM 450 HG SER A 54 -2.590 10.694 -7.409 1.00 0.00 H ATOM 451 H SER A 54 -2.477 13.789 -8.207 1.00 0.00 H ATOM 452 N SER A 55 -4.530 10.386 -9.360 1.00 38.82 N ATOM 453 CA SER A 55 -5.740 9.818 -8.796 1.00 41.97 C ATOM 454 C SER A 55 -5.374 9.557 -7.345 1.00 42.47 C ATOM 455 O SER A 55 -4.195 9.588 -6.991 1.00 43.05 O ATOM 456 CB SER A 55 -6.104 8.507 -9.496 1.00 43.05 C ATOM 457 OG SER A 55 -5.033 7.583 -9.406 1.00 47.09 O ATOM 458 HA SER A 55 -6.603 10.475 -8.908 1.00 0.00 H ATOM 459 HB2 SER A 55 -6.318 8.708 -10.546 1.00 0.00 H ATOM 460 HB3 SER A 55 -6.988 8.080 -9.022 1.00 0.00 H ATOM 461 HG SER A 55 -4.839 7.397 -8.453 1.00 0.00 H ATOM 462 H SER A 55 -3.958 9.839 -10.035 1.00 0.00 H ATOM 463 N THR A 56 -6.369 9.310 -6.505 1.00 43.85 N ATOM 464 CA THR A 56 -6.115 9.047 -5.095 1.00 45.82 C ATOM 465 C THR A 56 -5.753 7.587 -4.886 1.00 46.51 C ATOM 466 O THR A 56 -6.371 6.703 -5.475 1.00 47.78 O ATOM 467 CB THR A 56 -7.355 9.371 -4.244 1.00 46.42 C ATOM 468 OG1 THR A 56 -7.618 10.779 -4.301 1.00 49.16 O ATOM 469 CG2 THR A 56 -7.135 8.953 -2.798 1.00 47.72 C ATOM 470 HA THR A 56 -5.286 9.684 -4.785 1.00 0.00 H ATOM 471 HB THR A 56 -8.207 8.819 -4.641 1.00 0.00 H ATOM 472 HG1 THR A 56 -8.416 10.987 -3.753 1.00 0.00 H ATOM 473 HG23 THR A 56 -6.935 7.882 -2.757 1.00 0.00 H ATOM 474 HG21 THR A 56 -6.285 9.498 -2.389 1.00 0.00 H ATOM 475 HG22 THR A 56 -8.028 9.180 -2.216 1.00 0.00 H ATOM 476 H THR A 56 -7.347 9.304 -6.858 1.00 0.00 H ATOM 477 N PHE A 57 -4.738 7.339 -4.063 1.00 46.52 N ATOM 478 CA PHE A 57 -4.317 5.981 -3.753 1.00 45.64 C ATOM 479 C PHE A 57 -4.293 5.783 -2.235 1.00 46.80 C ATOM 480 O PHE A 57 -4.060 6.729 -1.474 1.00 46.07 O ATOM 481 CB PHE A 57 -2.941 5.668 -4.364 1.00 45.07 C ATOM 482 CG PHE A 57 -1.850 6.606 -3.939 1.00 42.43 C ATOM 483 CD1 PHE A 57 -1.652 7.815 -4.600 1.00 42.78 C ATOM 484 CD2 PHE A 57 -1.019 6.280 -2.870 1.00 41.78 C ATOM 485 CE1 PHE A 57 -0.638 8.689 -4.201 1.00 42.94 C ATOM 486 CE2 PHE A 57 -0.004 7.142 -2.459 1.00 40.25 C ATOM 487 CZ PHE A 57 0.187 8.349 -3.126 1.00 42.01 C ATOM 488 HA PHE A 57 -5.034 5.288 -4.193 1.00 0.00 H ATOM 489 HB2 PHE A 57 -2.658 4.658 -4.069 1.00 0.00 H ATOM 490 HB3 PHE A 57 -3.030 5.716 -5.449 1.00 0.00 H ATOM 491 HD2 PHE A 57 -1.165 5.335 -2.346 1.00 0.00 H ATOM 492 HE2 PHE A 57 0.637 6.873 -1.620 1.00 0.00 H ATOM 493 HZ PHE A 57 0.979 9.028 -2.810 1.00 0.00 H ATOM 494 HE1 PHE A 57 -0.491 9.633 -4.726 1.00 0.00 H ATOM 495 HD1 PHE A 57 -2.295 8.083 -5.438 1.00 0.00 H ATOM 496 H PHE A 57 -4.232 8.137 -3.629 1.00 0.00 H ATOM 497 N SER A 58 -4.535 4.550 -1.802 1.00 47.13 N ATOM 498 CA SER A 58 -4.660 4.247 -0.381 1.00 48.88 C ATOM 499 C SER A 58 -3.538 3.326 0.087 1.00 49.69 C ATOM 500 O SER A 58 -2.976 2.566 -0.702 1.00 50.37 O ATOM 501 CB SER A 58 -6.020 3.612 -0.086 1.00 50.49 C ATOM 502 OG SER A 58 -6.201 2.423 -0.835 1.00 49.41 O ATOM 503 HA SER A 58 -4.582 5.185 0.168 1.00 0.00 H ATOM 504 HB2 SER A 58 -6.807 4.320 -0.345 1.00 0.00 H ATOM 505 HB3 SER A 58 -6.080 3.376 0.977 1.00 0.00 H ATOM 506 HG SER A 58 -6.152 2.632 -1.801 1.00 0.00 H ATOM 507 H SER A 58 -4.638 3.781 -2.495 1.00 0.00 H ATOM 508 N SER A 59 -3.217 3.400 1.374 1.00 51.76 N ATOM 509 CA SER A 59 -2.293 2.454 1.989 1.00 53.19 C ATOM 510 C SER A 59 -2.888 1.843 3.253 1.00 54.95 C ATOM 511 O SER A 59 -3.651 2.493 3.968 1.00 54.22 O ATOM 512 CB SER A 59 -0.963 3.138 2.311 1.00 52.44 C ATOM 513 OG SER A 59 -1.159 4.268 3.145 1.00 50.77 O ATOM 514 HA SER A 59 -2.114 1.650 1.275 1.00 0.00 H ATOM 515 HB2 SER A 59 -0.493 3.459 1.381 1.00 0.00 H ATOM 516 HB3 SER A 59 -0.311 2.428 2.820 1.00 0.00 H ATOM 517 HG SER A 59 -1.582 3.981 3.993 1.00 0.00 H ATOM 518 H SER A 59 -3.635 4.152 1.958 1.00 0.00 H ATOM 519 N GLY A 60 -2.534 0.591 3.522 1.00 56.52 N ATOM 520 CA GLY A 60 -3.501 -0.491 3.522 1.00 57.94 C ATOM 521 C GLY A 60 -3.783 -1.017 4.916 1.00 59.41 C ATOM 522 O GLY A 60 -3.222 -0.532 5.898 1.00 59.11 O ATOM 523 HA3 GLY A 60 -3.113 -1.307 2.912 1.00 0.00 H ATOM 524 HA2 GLY A 60 -4.433 -0.127 3.090 1.00 0.00 H ATOM 525 H GLY A 60 -1.539 0.381 3.738 1.00 0.00 H ATOM 526 N ALA A 61 -4.657 -2.015 5.001 1.00 60.80 N ATOM 527 CA ALA A 61 -5.013 -2.614 6.281 1.00 61.79 C ATOM 528 C ALA A 61 -6.121 -1.823 6.970 1.00 62.00 C ATOM 529 O ALA A 61 -6.185 -1.768 8.198 1.00 62.08 O ATOM 530 CB ALA A 61 -3.790 -2.711 7.180 1.00 61.88 C ATOM 531 HA ALA A 61 -5.387 -3.620 6.090 1.00 0.00 H ATOM 532 HB1 ALA A 61 -3.033 -3.329 6.697 1.00 0.00 H ATOM 533 HB2 ALA A 61 -3.389 -1.713 7.354 1.00 0.00 H ATOM 534 HB3 ALA A 61 -4.075 -3.161 8.131 1.00 0.00 H ATOM 535 H ALA A 61 -5.098 -2.378 4.132 1.00 0.00 H TER 536 ALA A 61 ATOM 537 N LYS A 64 -7.005 2.487 4.963 1.00 50.44 N ATOM 538 CA LYS A 64 -7.015 3.367 6.168 1.00 47.80 C ATOM 539 C LYS A 64 -6.625 4.780 5.772 1.00 43.56 C ATOM 540 O LYS A 64 -7.384 5.731 5.994 1.00 42.58 O ATOM 541 CB LYS A 64 -5.991 2.861 7.249 1.00 49.15 C ATOM 542 CG LYS A 64 -6.503 1.724 8.100 1.00 51.48 C ATOM 543 CD LYS A 64 -5.412 1.302 9.074 1.00 53.44 C ATOM 544 CE LYS A 64 -5.633 1.859 10.479 1.00 52.61 C ATOM 545 NZ LYS A 64 -5.213 0.871 11.527 1.00 52.34 N ATOM 546 HA LYS A 64 -8.021 3.346 6.587 1.00 0.00 H ATOM 547 HB2 LYS A 64 -5.089 2.526 6.736 1.00 0.00 H ATOM 548 HB3 LYS A 64 -5.745 3.696 7.905 1.00 0.00 H ATOM 549 HG2 LYS A 64 -7.382 2.050 8.655 1.00 0.00 H ATOM 550 HG3 LYS A 64 -6.770 0.881 7.462 1.00 0.00 H ATOM 551 HD2 LYS A 64 -5.394 0.214 9.128 1.00 0.00 H ATOM 552 HD3 LYS A 64 -4.453 1.662 8.702 1.00 0.00 H ATOM 553 HE2 LYS A 64 -6.691 2.087 10.609 1.00 0.00 H ATOM 554 HE3 LYS A 64 -5.049 2.772 10.596 1.00 0.00 H ATOM 555 HZ1 LYS A 64 -5.771 -0.001 11.424 1.00 0.00 H ATOM 556 HZ2 LYS A 64 -4.203 0.653 11.411 1.00 0.00 H ATOM 557 HZ3 LYS A 64 -5.375 1.278 12.470 1.00 0.00 H ATOM 558 HN3 LYS A 64 -6.051 2.479 4.549 1.00 0.00 H ATOM 559 HN2 LYS A 64 -7.684 2.850 4.264 1.00 0.00 H ATOM 560 HN1 LYS A 64 -7.273 1.521 5.239 1.00 0.00 H ATOM 561 N LEU A 65 -5.452 4.889 5.145 1.00 38.50 N ATOM 562 CA LEU A 65 -4.936 6.178 4.709 1.00 35.14 C ATOM 563 C LEU A 65 -5.125 6.406 3.215 1.00 34.99 C ATOM 564 O LEU A 65 -4.877 5.517 2.406 1.00 36.22 O ATOM 565 CB LEU A 65 -3.444 6.271 5.019 1.00 31.49 C ATOM 566 CG LEU A 65 -2.954 5.923 6.428 1.00 28.98 C ATOM 567 CD1 LEU A 65 -1.477 6.263 6.557 1.00 26.97 C ATOM 568 CD2 LEU A 65 -3.774 6.686 7.450 1.00 30.18 C ATOM 569 HA LEU A 65 -5.499 6.940 5.249 1.00 0.00 H ATOM 570 HB2 LEU A 65 -2.932 5.601 4.328 1.00 0.00 H ATOM 571 HB3 LEU A 65 -3.140 7.299 4.820 1.00 0.00 H ATOM 572 HG LEU A 65 -3.077 4.855 6.608 1.00 0.00 H ATOM 573 HD21 LEU A 65 -3.661 7.757 7.279 1.00 0.00 H ATOM 574 HD22 LEU A 65 -4.824 6.410 7.351 1.00 0.00 H ATOM 575 HD23 LEU A 65 -3.425 6.438 8.452 1.00 0.00 H ATOM 576 HD11 LEU A 65 -0.908 5.690 5.825 1.00 0.00 H ATOM 577 HD12 LEU A 65 -1.334 7.328 6.377 1.00 0.00 H ATOM 578 HD13 LEU A 65 -1.134 6.013 7.561 1.00 0.00 H ATOM 579 H LEU A 65 -4.893 4.031 4.963 1.00 0.00 H ATOM 580 N LYS A 66 -5.545 7.607 2.848 1.00 33.39 N ATOM 581 CA LYS A 66 -5.696 7.930 1.444 1.00 33.43 C ATOM 582 C LYS A 66 -4.778 9.096 1.086 1.00 30.21 C ATOM 583 O LYS A 66 -4.666 10.056 1.850 1.00 27.60 O ATOM 584 CB LYS A 66 -7.155 8.257 1.113 1.00 37.00 C ATOM 585 CG LYS A 66 -8.057 7.036 1.169 1.00 42.44 C ATOM 586 CD LYS A 66 -9.434 7.313 0.582 1.00 48.37 C ATOM 587 CE LYS A 66 -10.361 6.111 0.773 1.00 51.19 C ATOM 588 NZ LYS A 66 -11.737 6.343 0.227 1.00 55.07 N ATOM 589 HA LYS A 66 -5.412 7.063 0.848 1.00 0.00 H ATOM 590 HB2 LYS A 66 -7.519 8.993 1.830 1.00 0.00 H ATOM 591 HB3 LYS A 66 -7.199 8.678 0.108 1.00 0.00 H ATOM 592 HG2 LYS A 66 -7.591 6.228 0.605 1.00 0.00 H ATOM 593 HG3 LYS A 66 -8.173 6.732 2.209 1.00 0.00 H ATOM 594 HD2 LYS A 66 -9.867 8.180 1.080 1.00 0.00 H ATOM 595 HD3 LYS A 66 -9.333 7.520 -0.483 1.00 0.00 H ATOM 596 HE2 LYS A 66 -10.441 5.899 1.839 1.00 0.00 H ATOM 597 HE3 LYS A 66 -9.925 5.251 0.264 1.00 0.00 H ATOM 598 HZ1 LYS A 66 -12.168 7.156 0.711 1.00 0.00 H ATOM 599 HZ2 LYS A 66 -11.676 6.538 -0.793 1.00 0.00 H ATOM 600 HZ3 LYS A 66 -12.319 5.496 0.385 1.00 0.00 H ATOM 601 H LYS A 66 -5.767 8.321 3.571 1.00 0.00 H ATOM 602 N TRP A 67 -4.121 8.991 -0.071 1.00 28.67 N ATOM 603 CA TRP A 67 -3.179 10.011 -0.553 1.00 31.42 C ATOM 604 C TRP A 67 -3.301 10.306 -2.042 1.00 32.24 C ATOM 605 O TRP A 67 -3.922 9.564 -2.796 1.00 34.55 O ATOM 606 CB TRP A 67 -1.718 9.573 -0.363 1.00 28.96 C ATOM 607 CG TRP A 67 -1.374 8.859 0.898 1.00 29.77 C ATOM 608 CD1 TRP A 67 -1.636 7.551 1.203 1.00 32.52 C ATOM 609 CD2 TRP A 67 -0.643 9.393 2.008 1.00 29.39 C ATOM 610 NE1 TRP A 67 -1.102 7.235 2.436 1.00 28.69 N ATOM 611 CE2 TRP A 67 -0.487 8.342 2.947 1.00 30.09 C ATOM 612 CE3 TRP A 67 -0.095 10.651 2.293 1.00 30.49 C ATOM 613 CZ2 TRP A 67 0.190 8.526 4.166 1.00 29.91 C ATOM 614 CZ3 TRP A 67 0.576 10.829 3.504 1.00 31.27 C ATOM 615 CH2 TRP A 67 0.716 9.768 4.421 1.00 31.13 C ATOM 616 HA TRP A 67 -3.436 10.891 0.037 1.00 0.00 H ATOM 617 HB2 TRP A 67 -1.464 8.913 -1.192 1.00 0.00 H ATOM 618 HB3 TRP A 67 -1.099 10.469 -0.411 1.00 0.00 H ATOM 619 HE1 TRP A 67 -1.159 6.306 2.900 1.00 0.00 H ATOM 620 HD1 TRP A 67 -2.186 6.859 0.565 1.00 0.00 H ATOM 621 HZ2 TRP A 67 0.293 7.711 4.883 1.00 0.00 H ATOM 622 HH2 TRP A 67 1.254 9.937 5.354 1.00 0.00 H ATOM 623 HZ3 TRP A 67 0.999 11.805 3.744 1.00 0.00 H ATOM 624 HE3 TRP A 67 -0.191 11.473 1.584 1.00 0.00 H ATOM 625 H TRP A 67 -4.283 8.148 -0.659 1.00 0.00 H ATOM 626 N CYS A 68 -2.668 11.393 -2.464 1.00 33.92 N ATOM 627 CA CYS A 68 -2.622 11.736 -3.878 1.00 36.28 C ATOM 628 C CYS A 68 -1.389 12.613 -4.065 1.00 35.61 C ATOM 629 O CYS A 68 -0.841 13.149 -3.095 1.00 34.55 O ATOM 630 CB CYS A 68 -3.890 12.468 -4.334 1.00 37.05 C ATOM 631 SG CYS A 68 -3.920 14.236 -4.031 1.00 48.64 S ATOM 632 HA CYS A 68 -2.567 10.834 -4.487 1.00 0.00 H ATOM 633 HB2 CYS A 68 -4.739 12.024 -3.813 1.00 0.00 H ATOM 634 HB3 CYS A 68 -4.001 12.310 -5.407 1.00 0.00 H ATOM 635 HG CYS A 68 -5.112 14.759 -4.489 1.00 0.00 H ATOM 636 H CYS A 68 -2.197 12.011 -1.773 1.00 0.00 H ATOM 637 N LEU A 69 -0.932 12.722 -5.307 1.00 34.13 N ATOM 638 CA LEU A 69 0.224 13.534 -5.612 1.00 35.33 C ATOM 639 C LEU A 69 -0.256 14.768 -6.340 1.00 35.77 C ATOM 640 O LEU A 69 -1.328 14.755 -6.951 1.00 36.27 O ATOM 641 CB LEU A 69 1.211 12.781 -6.506 1.00 36.02 C ATOM 642 CG LEU A 69 1.847 11.482 -5.999 1.00 37.99 C ATOM 643 CD1 LEU A 69 3.069 11.198 -6.863 1.00 37.84 C ATOM 644 CD2 LEU A 69 2.267 11.597 -4.532 1.00 36.61 C ATOM 645 HA LEU A 69 0.736 13.791 -4.685 1.00 0.00 H ATOM 646 HB2 LEU A 69 0.682 12.537 -7.428 1.00 0.00 H ATOM 647 HB3 LEU A 69 2.027 13.469 -6.728 1.00 0.00 H ATOM 648 HG LEU A 69 1.120 10.673 -6.066 1.00 0.00 H ATOM 649 HD21 LEU A 69 2.994 12.402 -4.426 1.00 0.00 H ATOM 650 HD22 LEU A 69 1.391 11.814 -3.921 1.00 0.00 H ATOM 651 HD23 LEU A 69 2.714 10.657 -4.208 1.00 0.00 H ATOM 652 HD11 LEU A 69 2.760 11.089 -7.903 1.00 0.00 H ATOM 653 HD12 LEU A 69 3.774 12.025 -6.777 1.00 0.00 H ATOM 654 HD13 LEU A 69 3.545 10.277 -6.526 1.00 0.00 H ATOM 655 H LEU A 69 -1.415 12.213 -6.075 1.00 0.00 H ATOM 656 N ARG A 70 0.539 15.828 -6.265 1.00 35.40 N ATOM 657 CA ARG A 70 0.225 17.079 -6.930 1.00 37.70 C ATOM 658 C ARG A 70 1.507 17.662 -7.495 1.00 37.64 C ATOM 659 O ARG A 70 2.501 17.826 -6.783 1.00 37.93 O ATOM 660 CB ARG A 70 -0.388 18.080 -5.952 1.00 38.63 C ATOM 661 CG ARG A 70 -1.643 17.592 -5.267 1.00 44.04 C ATOM 662 CD ARG A 70 -2.076 18.569 -4.192 1.00 46.93 C ATOM 663 NE ARG A 70 -3.047 19.542 -4.680 1.00 51.20 N ATOM 664 CZ ARG A 70 -3.022 20.835 -4.373 1.00 51.73 C ATOM 665 NH1 ARG A 70 -2.066 21.311 -3.584 1.00 51.73 N ATOM 666 NH2 ARG A 70 -3.963 21.649 -4.837 1.00 53.25 N ATOM 667 HA ARG A 70 -0.497 16.885 -7.724 1.00 0.00 H ATOM 668 HB2 ARG A 70 0.353 18.307 -5.186 1.00 0.00 H ATOM 669 HB3 ARG A 70 -0.630 18.990 -6.501 1.00 0.00 H ATOM 670 HG2 ARG A 70 -2.439 17.494 -6.005 1.00 0.00 H ATOM 671 HG3 ARG A 70 -1.449 16.621 -4.812 1.00 0.00 H ATOM 672 HD2 ARG A 70 -1.197 19.103 -3.830 1.00 0.00 H ATOM 673 HD3 ARG A 70 -2.524 18.010 -3.371 1.00 0.00 H ATOM 674 HE ARG A 70 -3.805 19.203 -5.306 1.00 0.00 H ATOM 675 HH12 ARG A 70 -2.046 22.323 -3.343 1.00 0.00 H ATOM 676 HH11 ARG A 70 -1.337 20.672 -3.207 1.00 0.00 H ATOM 677 HH22 ARG A 70 -3.941 22.660 -4.595 1.00 0.00 H ATOM 678 HH21 ARG A 70 -4.722 21.275 -5.442 1.00 0.00 H ATOM 679 H ARG A 70 1.417 15.760 -5.711 1.00 0.00 H ATOM 680 N VAL A 71 1.494 17.957 -8.786 1.00 36.94 N ATOM 681 CA VAL A 71 2.661 18.547 -9.406 1.00 37.59 C ATOM 682 C VAL A 71 2.256 19.840 -10.105 1.00 36.17 C ATOM 683 O VAL A 71 1.153 19.947 -10.641 1.00 38.14 O ATOM 684 CB VAL A 71 3.331 17.574 -10.421 1.00 37.56 C ATOM 685 CG1 VAL A 71 2.369 17.210 -11.534 1.00 36.24 C ATOM 686 CG2 VAL A 71 4.594 18.206 -10.986 1.00 39.97 C ATOM 687 HA VAL A 71 3.394 18.758 -8.627 1.00 0.00 H ATOM 688 HB VAL A 71 3.600 16.656 -9.900 1.00 0.00 H ATOM 689 HG11 VAL A 71 1.490 16.725 -11.109 1.00 0.00 H ATOM 690 HG12 VAL A 71 2.066 18.115 -12.061 1.00 0.00 H ATOM 691 HG13 VAL A 71 2.861 16.530 -12.229 1.00 0.00 H ATOM 692 HG21 VAL A 71 4.338 19.136 -11.493 1.00 0.00 H ATOM 693 HG22 VAL A 71 5.290 18.414 -10.173 1.00 0.00 H ATOM 694 HG23 VAL A 71 5.057 17.519 -11.695 1.00 0.00 H ATOM 695 H VAL A 71 0.645 17.765 -9.355 1.00 0.00 H ATOM 696 N ASN A 72 3.137 20.830 -10.036 1.00 35.08 N ATOM 697 CA ASN A 72 2.936 22.119 -10.680 1.00 34.86 C ATOM 698 C ASN A 72 3.975 22.138 -11.787 1.00 34.39 C ATOM 699 O ASN A 72 5.140 22.442 -11.546 1.00 31.49 O ATOM 700 CB ASN A 72 3.197 23.273 -9.705 1.00 35.12 C ATOM 701 CG ASN A 72 2.165 23.350 -8.600 1.00 36.16 C ATOM 702 OD1 ASN A 72 2.391 22.870 -7.487 1.00 40.98 O ATOM 703 ND2 ASN A 72 1.015 23.946 -8.905 1.00 36.84 N ATOM 704 HA ASN A 72 1.915 22.243 -11.040 1.00 0.00 H ATOM 705 HB2 ASN A 72 4.180 23.134 -9.255 1.00 0.00 H ATOM 706 HB3 ASN A 72 3.183 24.210 -10.262 1.00 0.00 H ATOM 707 HD22 ASN A 72 0.868 24.337 -9.858 1.00 0.00 H ATOM 708 HD21 ASN A 72 0.263 24.021 -8.191 1.00 0.00 H ATOM 709 H ASN A 72 4.013 20.677 -9.496 1.00 0.00 H ATOM 710 N PRO A 73 3.567 21.779 -13.013 1.00 36.13 N ATOM 711 CA PRO A 73 4.453 21.740 -14.177 1.00 37.18 C ATOM 712 C PRO A 73 5.293 22.989 -14.326 1.00 39.11 C ATOM 713 O PRO A 73 6.451 22.920 -14.745 1.00 39.20 O ATOM 714 CB PRO A 73 3.486 21.558 -15.339 1.00 37.64 C ATOM 715 CG PRO A 73 2.392 20.759 -14.733 1.00 38.61 C ATOM 716 CD PRO A 73 2.188 21.429 -13.399 1.00 36.81 C ATOM 717 HA PRO A 73 5.196 20.946 -14.105 1.00 0.00 H ATOM 718 HD3 PRO A 73 1.566 22.319 -13.494 1.00 0.00 H ATOM 719 HD2 PRO A 73 1.736 20.747 -12.679 1.00 0.00 H ATOM 720 HG3 PRO A 73 2.689 19.718 -14.608 1.00 0.00 H ATOM 721 HG2 PRO A 73 1.488 20.808 -15.339 1.00 0.00 H ATOM 722 HB2 PRO A 73 3.118 22.519 -15.699 1.00 0.00 H ATOM 723 HB3 PRO A 73 3.957 21.020 -16.162 1.00 0.00 H ATOM 724 N LYS A 74 4.713 24.133 -13.977 1.00 40.07 N ATOM 725 CA LYS A 74 5.424 25.397 -14.102 1.00 42.70 C ATOM 726 C LYS A 74 5.621 26.175 -12.812 1.00 43.74 C ATOM 727 O LYS A 74 5.591 27.409 -12.803 1.00 45.03 O ATOM 728 CB LYS A 74 4.731 26.260 -15.155 1.00 43.89 C ATOM 729 CG LYS A 74 5.182 25.892 -16.550 1.00 47.22 C ATOM 730 CD LYS A 74 4.144 26.187 -17.618 1.00 49.72 C ATOM 731 CE LYS A 74 4.130 25.055 -18.648 1.00 50.56 C ATOM 732 NZ LYS A 74 3.244 25.337 -19.812 1.00 52.04 N ATOM 733 HA LYS A 74 6.437 25.137 -14.408 1.00 0.00 H ATOM 734 HB2 LYS A 74 3.653 26.115 -15.080 1.00 0.00 H ATOM 735 HB3 LYS A 74 4.969 27.307 -14.969 1.00 0.00 H ATOM 736 HG2 LYS A 74 6.086 26.456 -16.781 1.00 0.00 H ATOM 737 HG3 LYS A 74 5.406 24.825 -16.571 1.00 0.00 H ATOM 738 HD2 LYS A 74 3.160 26.269 -17.155 1.00 0.00 H ATOM 739 HD3 LYS A 74 4.390 27.126 -18.114 1.00 0.00 H ATOM 740 HE2 LYS A 74 3.783 24.145 -18.159 1.00 0.00 H ATOM 741 HE3 LYS A 74 5.146 24.905 -19.013 1.00 0.00 H ATOM 742 HZ1 LYS A 74 2.268 25.473 -19.479 1.00 0.00 H ATOM 743 HZ2 LYS A 74 3.570 26.199 -20.294 1.00 0.00 H ATOM 744 HZ3 LYS A 74 3.277 24.535 -20.473 1.00 0.00 H ATOM 745 H LYS A 74 3.740 24.125 -13.610 1.00 0.00 H ATOM 746 N GLY A 75 5.845 25.449 -11.723 1.00 44.34 N ATOM 747 CA GLY A 75 6.063 26.099 -10.450 1.00 43.83 C ATOM 748 C GLY A 75 4.779 26.437 -9.727 1.00 44.24 C ATOM 749 O GLY A 75 3.715 26.601 -10.325 1.00 44.66 O ATOM 750 HA3 GLY A 75 6.617 27.022 -10.622 1.00 0.00 H ATOM 751 HA2 GLY A 75 6.653 25.435 -9.818 1.00 0.00 H ATOM 752 H GLY A 75 5.864 24.411 -11.786 1.00 0.00 H ATOM 753 N LEU A 76 4.894 26.514 -8.410 1.00 45.72 N ATOM 754 CA LEU A 76 3.765 26.849 -7.567 1.00 48.04 C ATOM 755 C LEU A 76 3.679 28.369 -7.537 1.00 49.61 C ATOM 756 O LEU A 76 2.588 28.950 -7.554 1.00 50.48 O ATOM 757 CB LEU A 76 3.977 26.354 -6.141 1.00 46.74 C ATOM 758 CG LEU A 76 2.848 26.746 -5.214 1.00 47.74 C ATOM 759 CD1 LEU A 76 1.639 25.867 -5.528 1.00 48.02 C ATOM 760 CD2 LEU A 76 3.246 26.544 -3.764 1.00 46.59 C ATOM 761 HA LEU A 76 2.860 26.385 -7.959 1.00 0.00 H ATOM 762 HB2 LEU A 76 4.054 25.267 -6.157 1.00 0.00 H ATOM 763 HB3 LEU A 76 4.906 26.778 -5.759 1.00 0.00 H ATOM 764 HG LEU A 76 2.612 27.799 -5.363 1.00 0.00 H ATOM 765 HD21 LEU A 76 3.489 25.494 -3.598 1.00 0.00 H ATOM 766 HD22 LEU A 76 4.116 27.160 -3.538 1.00 0.00 H ATOM 767 HD23 LEU A 76 2.417 26.833 -3.117 1.00 0.00 H ATOM 768 HD11 LEU A 76 1.340 26.019 -6.565 1.00 0.00 H ATOM 769 HD12 LEU A 76 1.902 24.821 -5.374 1.00 0.00 H ATOM 770 HD13 LEU A 76 0.814 26.136 -4.868 1.00 0.00 H ATOM 771 H LEU A 76 5.818 26.329 -7.970 1.00 0.00 H ATOM 772 N ASP A 77 4.858 28.991 -7.506 1.00 50.94 N ATOM 773 CA ASP A 77 4.994 30.437 -7.444 1.00 51.06 C ATOM 774 C ASP A 77 6.281 30.990 -8.062 1.00 52.36 C ATOM 775 O ASP A 77 7.117 30.250 -8.587 1.00 51.49 O ATOM 776 CB ASP A 77 4.910 30.895 -5.991 1.00 50.62 C ATOM 777 CG ASP A 77 5.948 30.221 -5.101 1.00 50.66 C ATOM 778 OD1 ASP A 77 7.149 30.216 -5.457 1.00 50.92 O ATOM 779 OD2 ASP A 77 5.563 29.701 -4.034 1.00 50.20 O ATOM 780 HA ASP A 77 4.174 30.832 -8.044 1.00 0.00 H ATOM 781 HB2 ASP A 77 5.067 31.973 -5.955 1.00 0.00 H ATOM 782 HB3 ASP A 77 3.917 30.661 -5.608 1.00 0.00 H ATOM 783 H ASP A 77 5.723 28.413 -7.527 1.00 0.00 H ATOM 784 N GLU A 78 6.422 32.312 -7.983 1.00 54.43 N ATOM 785 CA GLU A 78 7.574 33.034 -8.520 1.00 55.59 C ATOM 786 C GLU A 78 8.885 32.417 -8.057 1.00 57.35 C ATOM 787 O GLU A 78 9.799 32.195 -8.854 1.00 58.33 O ATOM 788 CB GLU A 78 7.505 34.499 -8.087 1.00 56.95 C ATOM 789 HA GLU A 78 7.541 32.967 -9.607 1.00 0.00 H ATOM 790 HB2 GLU A 78 6.586 34.946 -8.467 1.00 0.00 H ATOM 791 HB3 GLU A 78 7.515 34.556 -6.999 1.00 0.00 H ATOM 792 H GLU A 78 5.673 32.860 -7.514 1.00 0.00 H ATOM 793 N GLU A 79 8.987 32.185 -6.762 1.00 51.08 N ATOM 794 CA GLU A 79 10.179 31.552 -6.207 1.00 52.20 C ATOM 795 C GLU A 79 10.573 30.291 -6.960 1.00 50.35 C ATOM 796 O GLU A 79 11.743 29.949 -7.038 1.00 50.49 O ATOM 797 CB GLU A 79 9.971 31.179 -4.765 1.00 54.79 C ATOM 798 CG GLU A 79 11.158 30.497 -4.188 1.00 55.52 C ATOM 799 CD GLU A 79 11.325 30.795 -2.734 1.00 58.50 C ATOM 800 OE1 GLU A 79 12.200 30.201 -2.088 1.00 58.82 O ATOM 801 OE2 GLU A 79 10.565 31.642 -2.239 1.00 58.73 O ATOM 802 HA GLU A 79 10.976 32.289 -6.302 1.00 0.00 H ATOM 803 HB2 GLU A 79 9.773 32.085 -4.192 1.00 0.00 H ATOM 804 HB3 GLU A 79 9.113 30.511 -4.695 1.00 0.00 H ATOM 805 HG2 GLU A 79 11.042 29.421 -4.316 1.00 0.00 H ATOM 806 HG3 GLU A 79 12.049 30.831 -4.720 1.00 0.00 H ATOM 807 H GLU A 79 8.208 32.457 -6.129 1.00 0.00 H ATOM 808 N SER A 80 9.567 29.613 -7.498 1.00 58.17 N ATOM 809 CA SER A 80 9.765 28.373 -8.247 1.00 55.64 C ATOM 810 C SER A 80 9.299 28.426 -9.704 1.00 54.28 C ATOM 811 O SER A 80 8.968 27.397 -10.297 1.00 53.06 O ATOM 812 CB SER A 80 9.027 27.249 -7.525 1.00 52.98 C ATOM 813 OG SER A 80 7.670 27.610 -7.333 1.00 50.27 O ATOM 814 HA SER A 80 10.841 28.203 -8.286 1.00 0.00 H ATOM 815 HB2 SER A 80 9.495 27.072 -6.557 1.00 0.00 H ATOM 816 HB3 SER A 80 9.078 26.339 -8.123 1.00 0.00 H ATOM 817 HG SER A 80 7.623 28.435 -6.788 1.00 0.00 H ATOM 818 H SER A 80 8.600 29.978 -7.382 1.00 0.00 H ATOM 819 N LYS A 81 9.277 29.622 -10.278 1.00 53.17 N ATOM 820 CA LYS A 81 8.850 29.803 -11.663 1.00 52.77 C ATOM 821 C LYS A 81 9.558 28.887 -12.670 1.00 51.49 C ATOM 822 O LYS A 81 8.953 28.450 -13.649 1.00 51.41 O ATOM 823 CB LYS A 81 9.066 31.259 -12.094 1.00 55.02 C ATOM 824 CG LYS A 81 10.532 31.706 -12.072 1.00 56.85 C ATOM 825 CD LYS A 81 10.766 32.896 -13.003 1.00 58.90 C ATOM 826 CE LYS A 81 9.993 34.125 -12.558 1.00 59.47 C ATOM 827 NZ LYS A 81 9.980 35.216 -13.579 1.00 60.87 N ATOM 828 HA LYS A 81 7.794 29.533 -11.676 1.00 0.00 H ATOM 829 HB2 LYS A 81 8.687 31.376 -13.109 1.00 0.00 H ATOM 830 HB3 LYS A 81 8.501 31.903 -11.420 1.00 0.00 H ATOM 831 HG2 LYS A 81 10.801 31.993 -11.055 1.00 0.00 H ATOM 832 HG3 LYS A 81 11.161 30.876 -12.392 1.00 0.00 H ATOM 833 HD2 LYS A 81 11.830 33.133 -13.012 1.00 0.00 H ATOM 834 HD3 LYS A 81 10.447 32.624 -14.009 1.00 0.00 H ATOM 835 HE2 LYS A 81 10.449 34.510 -11.646 1.00 0.00 H ATOM 836 HE3 LYS A 81 8.964 33.831 -12.352 1.00 0.00 H ATOM 837 HZ1 LYS A 81 10.956 35.514 -13.778 1.00 0.00 H ATOM 838 HZ2 LYS A 81 9.538 34.866 -14.453 1.00 0.00 H ATOM 839 HZ3 LYS A 81 9.437 36.024 -13.214 1.00 0.00 H ATOM 840 H LYS A 81 9.572 30.453 -9.727 1.00 0.00 H ATOM 841 N ASP A 82 10.837 28.609 -12.438 1.00 49.69 N ATOM 842 CA ASP A 82 11.613 27.765 -13.345 1.00 50.22 C ATOM 843 C ASP A 82 11.650 26.309 -12.913 1.00 49.55 C ATOM 844 O ASP A 82 12.381 25.491 -13.484 1.00 48.21 O ATOM 845 CB ASP A 82 13.043 28.286 -13.444 1.00 52.51 C ATOM 846 CG ASP A 82 13.100 29.731 -13.877 1.00 54.07 C ATOM 847 OD1 ASP A 82 12.355 30.093 -14.812 1.00 54.24 O ATOM 848 OD2 ASP A 82 13.890 30.496 -13.287 1.00 55.16 O ATOM 849 HA ASP A 82 11.116 27.811 -14.314 1.00 0.00 H ATOM 850 HB2 ASP A 82 13.518 28.194 -12.467 1.00 0.00 H ATOM 851 HB3 ASP A 82 13.587 27.681 -14.170 1.00 0.00 H ATOM 852 H ASP A 82 11.296 29.001 -11.591 1.00 0.00 H ATOM 853 N TYR A 83 10.843 25.986 -11.912 1.00 47.94 N ATOM 854 CA TYR A 83 10.806 24.636 -11.384 1.00 45.46 C ATOM 855 C TYR A 83 9.467 23.946 -11.493 1.00 43.43 C ATOM 856 O TYR A 83 8.425 24.563 -11.703 1.00 43.17 O ATOM 857 CB TYR A 83 11.205 24.654 -9.911 1.00 46.22 C ATOM 858 CG TYR A 83 12.653 24.985 -9.667 1.00 48.89 C ATOM 859 CD1 TYR A 83 13.577 23.975 -9.417 1.00 49.64 C ATOM 860 CD2 TYR A 83 13.106 26.307 -9.700 1.00 49.43 C ATOM 861 CE1 TYR A 83 14.918 24.264 -9.199 1.00 51.61 C ATOM 862 CE2 TYR A 83 14.453 26.609 -9.488 1.00 52.14 C ATOM 863 CZ TYR A 83 15.354 25.579 -9.239 1.00 52.05 C ATOM 864 OH TYR A 83 16.690 25.850 -9.038 1.00 55.73 O ATOM 865 HA TYR A 83 11.505 24.070 -12.000 1.00 0.00 H ATOM 866 HB3 TYR A 83 11.004 23.669 -9.490 1.00 0.00 H ATOM 867 HB2 TYR A 83 10.593 25.398 -9.400 1.00 0.00 H ATOM 868 HD2 TYR A 83 12.398 27.113 -9.894 1.00 0.00 H ATOM 869 HE2 TYR A 83 14.795 27.643 -9.517 1.00 0.00 H ATOM 870 HE1 TYR A 83 15.625 23.459 -8.997 1.00 0.00 H ATOM 871 HD1 TYR A 83 13.242 22.938 -9.392 1.00 0.00 H ATOM 872 HH TYR A 83 17.177 25.003 -8.876 1.00 0.00 H ATOM 873 H TYR A 83 10.226 26.714 -11.498 1.00 0.00 H ATOM 874 N LEU A 84 9.530 22.633 -11.358 1.00 41.84 N ATOM 875 CA LEU A 84 8.357 21.798 -11.345 1.00 36.53 C ATOM 876 C LEU A 84 8.236 21.578 -9.833 1.00 35.03 C ATOM 877 O LEU A 84 9.243 21.335 -9.161 1.00 33.14 O ATOM 878 CB LEU A 84 8.659 20.505 -12.098 1.00 38.59 C ATOM 879 CG LEU A 84 7.862 19.242 -11.821 1.00 39.07 C ATOM 880 CD1 LEU A 84 7.800 18.412 -13.092 1.00 41.82 C ATOM 881 CD2 LEU A 84 8.513 18.463 -10.674 1.00 42.42 C ATOM 882 HA LEU A 84 7.456 22.195 -11.812 1.00 0.00 H ATOM 883 HB2 LEU A 84 8.535 20.726 -13.158 1.00 0.00 H ATOM 884 HB3 LEU A 84 9.703 20.265 -11.898 1.00 0.00 H ATOM 885 HG LEU A 84 6.845 19.492 -11.519 1.00 0.00 H ATOM 886 HD21 LEU A 84 9.532 18.195 -10.951 1.00 0.00 H ATOM 887 HD22 LEU A 84 8.530 19.084 -9.778 1.00 0.00 H ATOM 888 HD23 LEU A 84 7.938 17.558 -10.479 1.00 0.00 H ATOM 889 HD11 LEU A 84 7.315 18.990 -13.879 1.00 0.00 H ATOM 890 HD12 LEU A 84 8.811 18.150 -13.403 1.00 0.00 H ATOM 891 HD13 LEU A 84 7.230 17.503 -12.903 1.00 0.00 H ATOM 892 H LEU A 84 10.463 22.185 -11.257 1.00 0.00 H ATOM 893 N SER A 85 7.035 21.728 -9.286 1.00 33.33 N ATOM 894 CA SER A 85 6.833 21.540 -7.847 1.00 31.90 C ATOM 895 C SER A 85 6.116 20.208 -7.610 1.00 31.50 C ATOM 896 O SER A 85 5.156 19.868 -8.301 1.00 32.21 O ATOM 897 CB SER A 85 6.029 22.705 -7.264 1.00 32.07 C ATOM 898 OG SER A 85 6.701 23.946 -7.469 1.00 33.34 O ATOM 899 HA SER A 85 7.799 21.518 -7.343 1.00 0.00 H ATOM 900 HB2 SER A 85 5.895 22.545 -6.194 1.00 0.00 H ATOM 901 HB3 SER A 85 5.054 22.743 -7.750 1.00 0.00 H ATOM 902 HG SER A 85 7.586 23.918 -7.026 1.00 0.00 H ATOM 903 H SER A 85 6.226 21.983 -9.888 1.00 0.00 H ATOM 904 N LEU A 86 6.580 19.465 -6.618 1.00 29.03 N ATOM 905 CA LEU A 86 6.022 18.157 -6.343 1.00 29.80 C ATOM 906 C LEU A 86 5.590 17.976 -4.898 1.00 29.22 C ATOM 907 O LEU A 86 6.382 18.187 -3.980 1.00 28.46 O ATOM 908 CB LEU A 86 7.069 17.118 -6.718 1.00 29.18 C ATOM 909 CG LEU A 86 6.692 15.648 -6.741 1.00 29.85 C ATOM 910 CD1 LEU A 86 5.375 15.460 -7.470 1.00 29.65 C ATOM 911 CD2 LEU A 86 7.825 14.883 -7.430 1.00 28.56 C ATOM 912 HA LEU A 86 5.115 18.041 -6.935 1.00 0.00 H ATOM 913 HB2 LEU A 86 7.422 17.370 -7.718 1.00 0.00 H ATOM 914 HB3 LEU A 86 7.889 17.224 -6.008 1.00 0.00 H ATOM 915 HG LEU A 86 6.559 15.267 -5.729 1.00 0.00 H ATOM 916 HD21 LEU A 86 7.949 15.257 -8.446 1.00 0.00 H ATOM 917 HD22 LEU A 86 8.751 15.027 -6.873 1.00 0.00 H ATOM 918 HD23 LEU A 86 7.579 13.822 -7.460 1.00 0.00 H ATOM 919 HD11 LEU A 86 4.594 16.023 -6.958 1.00 0.00 H ATOM 920 HD12 LEU A 86 5.473 15.821 -8.494 1.00 0.00 H ATOM 921 HD13 LEU A 86 5.115 14.402 -7.480 1.00 0.00 H ATOM 922 H LEU A 86 7.356 19.825 -6.027 1.00 0.00 H ATOM 923 N TYR A 87 4.338 17.558 -4.711 1.00 28.66 N ATOM 924 CA TYR A 87 3.768 17.365 -3.375 1.00 30.11 C ATOM 925 C TYR A 87 2.988 16.077 -3.126 1.00 28.85 C ATOM 926 O TYR A 87 2.336 15.526 -4.018 1.00 26.99 O ATOM 927 CB TYR A 87 2.823 18.517 -3.032 1.00 29.84 C ATOM 928 CG TYR A 87 3.467 19.868 -3.073 1.00 33.42 C ATOM 929 CD1 TYR A 87 4.087 20.400 -1.942 1.00 31.73 C ATOM 930 CD2 TYR A 87 3.487 20.609 -4.257 1.00 34.19 C ATOM 931 CE1 TYR A 87 4.722 21.639 -1.989 1.00 35.36 C ATOM 932 CE2 TYR A 87 4.118 21.849 -4.316 1.00 35.97 C ATOM 933 CZ TYR A 87 4.732 22.357 -3.176 1.00 37.89 C ATOM 934 OH TYR A 87 5.363 23.579 -3.232 1.00 42.58 O ATOM 935 HA TYR A 87 4.657 17.315 -2.746 1.00 0.00 H ATOM 936 HB3 TYR A 87 2.434 18.353 -2.027 1.00 0.00 H ATOM 937 HB2 TYR A 87 1.999 18.508 -3.745 1.00 0.00 H ATOM 938 HD2 TYR A 87 3.001 20.211 -5.148 1.00 0.00 H ATOM 939 HE2 TYR A 87 4.131 22.416 -5.247 1.00 0.00 H ATOM 940 HE1 TYR A 87 5.207 22.041 -1.100 1.00 0.00 H ATOM 941 HD1 TYR A 87 4.074 19.838 -1.008 1.00 0.00 H ATOM 942 HH TYR A 87 5.745 23.793 -2.344 1.00 0.00 H ATOM 943 H TYR A 87 3.745 17.362 -5.543 1.00 0.00 H ATOM 944 N LEU A 88 3.047 15.645 -1.871 1.00 28.15 N ATOM 945 CA LEU A 88 2.337 14.474 -1.385 1.00 27.50 C ATOM 946 C LEU A 88 1.206 15.000 -0.484 1.00 27.83 C ATOM 947 O LEU A 88 1.450 15.698 0.496 1.00 26.06 O ATOM 948 CB LEU A 88 3.284 13.573 -0.578 1.00 27.31 C ATOM 949 CG LEU A 88 2.616 12.407 0.169 1.00 28.93 C ATOM 950 CD1 LEU A 88 1.899 11.488 -0.814 1.00 25.23 C ATOM 951 CD2 LEU A 88 3.661 11.645 0.952 1.00 25.61 C ATOM 952 HA LEU A 88 1.944 13.878 -2.209 1.00 0.00 H ATOM 953 HB2 LEU A 88 4.017 13.154 -1.267 1.00 0.00 H ATOM 954 HB3 LEU A 88 3.793 14.195 0.158 1.00 0.00 H ATOM 955 HG LEU A 88 1.874 12.801 0.863 1.00 0.00 H ATOM 956 HD21 LEU A 88 4.414 11.255 0.267 1.00 0.00 H ATOM 957 HD22 LEU A 88 4.134 12.314 1.671 1.00 0.00 H ATOM 958 HD23 LEU A 88 3.186 10.819 1.481 1.00 0.00 H ATOM 959 HD11 LEU A 88 1.135 12.054 -1.347 1.00 0.00 H ATOM 960 HD12 LEU A 88 2.620 11.088 -1.527 1.00 0.00 H ATOM 961 HD13 LEU A 88 1.432 10.668 -0.268 1.00 0.00 H ATOM 962 H LEU A 88 3.635 16.176 -1.197 1.00 0.00 H ATOM 963 N LEU A 89 -0.031 14.673 -0.840 1.00 28.23 N ATOM 964 CA LEU A 89 -1.200 15.100 -0.082 1.00 28.78 C ATOM 965 C LEU A 89 -1.857 13.964 0.692 1.00 28.03 C ATOM 966 O LEU A 89 -2.063 12.871 0.151 1.00 24.02 O ATOM 967 CB LEU A 89 -2.262 15.690 -1.029 1.00 29.52 C ATOM 968 CG LEU A 89 -3.597 16.065 -0.380 1.00 31.67 C ATOM 969 CD1 LEU A 89 -3.414 17.349 0.421 1.00 31.87 C ATOM 970 CD2 LEU A 89 -4.676 16.254 -1.447 1.00 31.16 C ATOM 971 HA LEU A 89 -0.839 15.843 0.629 1.00 0.00 H ATOM 972 HB2 LEU A 89 -1.845 16.590 -1.481 1.00 0.00 H ATOM 973 HB3 LEU A 89 -2.463 14.954 -1.807 1.00 0.00 H ATOM 974 HG LEU A 89 -3.916 15.262 0.284 1.00 0.00 H ATOM 975 HD21 LEU A 89 -4.376 17.051 -2.128 1.00 0.00 H ATOM 976 HD22 LEU A 89 -4.801 15.326 -2.004 1.00 0.00 H ATOM 977 HD23 LEU A 89 -5.618 16.520 -0.967 1.00 0.00 H ATOM 978 HD11 LEU A 89 -2.661 17.190 1.193 1.00 0.00 H ATOM 979 HD12 LEU A 89 -3.090 18.149 -0.245 1.00 0.00 H ATOM 980 HD13 LEU A 89 -4.361 17.623 0.887 1.00 0.00 H ATOM 981 H LEU A 89 -0.170 14.091 -1.691 1.00 0.00 H ATOM 982 N LEU A 90 -2.192 14.227 1.952 1.00 26.32 N ATOM 983 CA LEU A 90 -2.898 13.244 2.764 1.00 28.33 C ATOM 984 C LEU A 90 -4.385 13.542 2.579 1.00 29.43 C ATOM 985 O LEU A 90 -4.889 14.547 3.097 1.00 29.07 O ATOM 986 CB LEU A 90 -2.558 13.382 4.252 1.00 28.12 C ATOM 987 CG LEU A 90 -3.374 12.424 5.136 1.00 29.24 C ATOM 988 CD1 LEU A 90 -2.954 10.978 4.843 1.00 29.10 C ATOM 989 CD2 LEU A 90 -3.182 12.757 6.609 1.00 28.86 C ATOM 990 HA LEU A 90 -2.618 12.236 2.457 1.00 0.00 H ATOM 991 HB2 LEU A 90 -1.498 13.167 4.390 1.00 0.00 H ATOM 992 HB3 LEU A 90 -2.764 14.406 4.564 1.00 0.00 H ATOM 993 HG LEU A 90 -4.433 12.539 4.906 1.00 0.00 H ATOM 994 HD21 LEU A 90 -2.127 12.663 6.867 1.00 0.00 H ATOM 995 HD22 LEU A 90 -3.514 13.778 6.795 1.00 0.00 H ATOM 996 HD23 LEU A 90 -3.768 12.067 7.216 1.00 0.00 H ATOM 997 HD11 LEU A 90 -3.140 10.753 3.793 1.00 0.00 H ATOM 998 HD12 LEU A 90 -1.892 10.858 5.059 1.00 0.00 H ATOM 999 HD13 LEU A 90 -3.532 10.299 5.470 1.00 0.00 H ATOM 1000 H LEU A 90 -1.946 15.149 2.365 1.00 0.00 H ATOM 1001 N VAL A 91 -5.088 12.681 1.848 1.00 29.27 N ATOM 1002 CA VAL A 91 -6.521 12.881 1.618 1.00 30.01 C ATOM 1003 C VAL A 91 -7.364 12.525 2.840 1.00 30.83 C ATOM 1004 O VAL A 91 -8.293 13.241 3.189 1.00 32.52 O ATOM 1005 CB VAL A 91 -7.019 12.055 0.415 1.00 30.01 C ATOM 1006 CG1 VAL A 91 -8.524 12.284 0.209 1.00 31.65 C ATOM 1007 CG2 VAL A 91 -6.245 12.446 -0.829 1.00 31.49 C ATOM 1008 HA VAL A 91 -6.642 13.944 1.410 1.00 0.00 H ATOM 1009 HB VAL A 91 -6.855 10.995 0.611 1.00 0.00 H ATOM 1010 HG11 VAL A 91 -9.063 11.976 1.105 1.00 0.00 H ATOM 1011 HG12 VAL A 91 -8.707 13.342 0.019 1.00 0.00 H ATOM 1012 HG13 VAL A 91 -8.866 11.696 -0.643 1.00 0.00 H ATOM 1013 HG21 VAL A 91 -6.396 13.506 -1.031 1.00 0.00 H ATOM 1014 HG22 VAL A 91 -5.184 12.252 -0.671 1.00 0.00 H ATOM 1015 HG23 VAL A 91 -6.601 11.859 -1.676 1.00 0.00 H ATOM 1016 H VAL A 91 -4.613 11.854 1.434 1.00 0.00 H ATOM 1017 N SER A 92 -7.054 11.411 3.489 1.00 31.41 N ATOM 1018 CA SER A 92 -7.807 11.028 4.673 1.00 32.12 C ATOM 1019 C SER A 92 -7.041 10.101 5.596 1.00 32.01 C ATOM 1020 O SER A 92 -6.190 9.326 5.167 1.00 31.66 O ATOM 1021 CB SER A 92 -9.133 10.374 4.278 1.00 33.25 C ATOM 1022 OG SER A 92 -8.938 9.371 3.304 1.00 35.80 O ATOM 1023 HA SER A 92 -7.993 11.950 5.224 1.00 0.00 H ATOM 1024 HB2 SER A 92 -9.800 11.136 3.875 1.00 0.00 H ATOM 1025 HB3 SER A 92 -9.587 9.927 5.163 1.00 0.00 H ATOM 1026 HG SER A 92 -9.811 8.967 3.069 1.00 0.00 H ATOM 1027 H SER A 92 -6.274 10.812 3.152 1.00 0.00 H ATOM 1028 N CYS A 93 -7.346 10.202 6.879 1.00 32.88 N ATOM 1029 CA CYS A 93 -6.712 9.369 7.885 1.00 32.34 C ATOM 1030 C CYS A 93 -7.731 9.178 9.001 1.00 32.08 C ATOM 1031 O CYS A 93 -8.597 10.023 9.212 1.00 29.46 O ATOM 1032 CB CYS A 93 -5.439 10.037 8.410 1.00 30.78 C ATOM 1033 SG CYS A 93 -5.686 11.627 9.218 1.00 29.93 S ATOM 1034 HA CYS A 93 -6.414 8.407 7.469 1.00 0.00 H ATOM 1035 HB2 CYS A 93 -4.765 10.188 7.567 1.00 0.00 H ATOM 1036 HB3 CYS A 93 -4.975 9.362 9.129 1.00 0.00 H ATOM 1037 HG CYS A 93 -6.522 11.464 10.304 1.00 0.00 H ATOM 1038 H CYS A 93 -8.060 10.898 7.176 1.00 0.00 H ATOM 1039 N PRO A 94 -7.620 8.061 9.713 1.00 33.42 N ATOM 1040 CA PRO A 94 -8.592 7.711 10.753 1.00 33.93 C ATOM 1041 C PRO A 94 -8.508 8.656 11.947 1.00 35.92 C ATOM 1042 O PRO A 94 -9.525 8.943 12.579 1.00 33.42 O ATOM 1043 CB PRO A 94 -8.163 6.302 11.166 1.00 34.90 C ATOM 1044 CG PRO A 94 -6.705 6.261 10.880 1.00 36.55 C ATOM 1045 CD PRO A 94 -6.502 7.103 9.653 1.00 34.36 C ATOM 1046 HA PRO A 94 -9.621 7.776 10.399 1.00 0.00 H ATOM 1047 HD3 PRO A 94 -5.542 7.619 9.687 1.00 0.00 H ATOM 1048 HD2 PRO A 94 -6.555 6.496 8.749 1.00 0.00 H ATOM 1049 HG3 PRO A 94 -6.383 5.236 10.694 1.00 0.00 H ATOM 1050 HG2 PRO A 94 -6.142 6.671 11.719 1.00 0.00 H ATOM 1051 HB2 PRO A 94 -8.353 6.136 12.226 1.00 0.00 H ATOM 1052 HB3 PRO A 94 -8.693 5.550 10.581 1.00 0.00 H ATOM 1053 N LYS A 95 -7.304 9.130 12.249 1.00 35.70 N ATOM 1054 CA LYS A 95 -7.079 9.955 13.430 1.00 38.03 C ATOM 1055 C LYS A 95 -6.945 11.427 13.058 1.00 37.27 C ATOM 1056 O LYS A 95 -7.427 11.859 12.011 1.00 34.90 O ATOM 1057 CB LYS A 95 -5.831 9.486 14.181 1.00 41.57 C ATOM 1058 CG LYS A 95 -6.053 8.258 15.048 1.00 46.42 C ATOM 1059 CD LYS A 95 -4.813 7.926 15.863 1.00 49.93 C ATOM 1060 CE LYS A 95 -4.941 6.569 16.536 1.00 53.12 C ATOM 1061 NZ LYS A 95 -3.731 6.228 17.333 1.00 54.45 N ATOM 1062 HA LYS A 95 -7.946 9.847 14.082 1.00 0.00 H ATOM 1063 HB2 LYS A 95 -5.058 9.253 13.449 1.00 0.00 H ATOM 1064 HB3 LYS A 95 -5.490 10.300 14.821 1.00 0.00 H ATOM 1065 HG2 LYS A 95 -6.884 8.448 15.727 1.00 0.00 H ATOM 1066 HG3 LYS A 95 -6.295 7.410 14.408 1.00 0.00 H ATOM 1067 HD2 LYS A 95 -3.946 7.915 15.202 1.00 0.00 H ATOM 1068 HD3 LYS A 95 -4.675 8.690 16.628 1.00 0.00 H ATOM 1069 HE2 LYS A 95 -5.085 5.807 15.770 1.00 0.00 H ATOM 1070 HE3 LYS A 95 -5.807 6.584 17.198 1.00 0.00 H ATOM 1071 HZ1 LYS A 95 -2.901 6.205 16.707 1.00 0.00 H ATOM 1072 HZ2 LYS A 95 -3.590 6.946 18.072 1.00 0.00 H ATOM 1073 HZ3 LYS A 95 -3.860 5.295 17.775 1.00 0.00 H ATOM 1074 H LYS A 95 -6.501 8.907 11.627 1.00 0.00 H ATOM 1075 N SER A 96 -6.286 12.193 13.922 1.00 35.96 N ATOM 1076 CA SER A 96 -6.118 13.625 13.703 1.00 38.23 C ATOM 1077 C SER A 96 -4.989 13.903 12.717 1.00 37.08 C ATOM 1078 O SER A 96 -5.014 14.900 11.995 1.00 35.82 O ATOM 1079 CB SER A 96 -5.848 14.341 15.028 1.00 39.72 C ATOM 1080 OG SER A 96 -4.639 13.891 15.614 1.00 42.35 O ATOM 1081 HA SER A 96 -7.045 14.008 13.276 1.00 0.00 H ATOM 1082 HB2 SER A 96 -6.672 14.143 15.714 1.00 0.00 H ATOM 1083 HB3 SER A 96 -5.778 15.413 14.846 1.00 0.00 H ATOM 1084 HG SER A 96 -4.699 12.918 15.786 1.00 0.00 H ATOM 1085 H SER A 96 -5.880 11.760 14.776 1.00 0.00 H ATOM 1086 N GLU A 97 -4.000 13.016 12.692 1.00 36.38 N ATOM 1087 CA GLU A 97 -2.825 13.201 11.846 1.00 36.91 C ATOM 1088 C GLU A 97 -2.115 11.912 11.447 1.00 35.37 C ATOM 1089 O GLU A 97 -2.464 10.817 11.884 1.00 35.31 O ATOM 1090 CB GLU A 97 -1.821 14.059 12.609 1.00 37.66 C ATOM 1091 CG GLU A 97 -1.387 13.365 13.895 1.00 42.29 C ATOM 1092 CD GLU A 97 -0.417 14.173 14.734 1.00 46.74 C ATOM 1093 OE1 GLU A 97 -0.718 15.352 15.015 1.00 49.76 O ATOM 1094 OE2 GLU A 97 0.641 13.622 15.126 1.00 46.13 O ATOM 1095 HA GLU A 97 -3.184 13.662 10.926 1.00 0.00 H ATOM 1096 HB2 GLU A 97 -0.946 14.230 11.982 1.00 0.00 H ATOM 1097 HB3 GLU A 97 -2.282 15.015 12.856 1.00 0.00 H ATOM 1098 HG2 GLU A 97 -2.276 13.166 14.494 1.00 0.00 H ATOM 1099 HG3 GLU A 97 -0.909 12.421 13.631 1.00 0.00 H ATOM 1100 H GLU A 97 -4.065 12.168 13.291 1.00 0.00 H ATOM 1101 N VAL A 98 -1.086 12.079 10.623 1.00 33.84 N ATOM 1102 CA VAL A 98 -0.240 10.981 10.168 1.00 31.25 C ATOM 1103 C VAL A 98 1.178 11.556 10.057 1.00 28.15 C ATOM 1104 O VAL A 98 1.350 12.670 9.576 1.00 30.09 O ATOM 1105 CB VAL A 98 -0.663 10.459 8.771 1.00 29.16 C ATOM 1106 CG1 VAL A 98 0.388 9.497 8.243 1.00 30.50 C ATOM 1107 CG2 VAL A 98 -2.018 9.768 8.851 1.00 30.29 C ATOM 1108 HA VAL A 98 -0.315 10.147 10.866 1.00 0.00 H ATOM 1109 HB VAL A 98 -0.747 11.304 8.088 1.00 0.00 H ATOM 1110 HG11 VAL A 98 1.344 10.014 8.162 1.00 0.00 H ATOM 1111 HG12 VAL A 98 0.486 8.656 8.929 1.00 0.00 H ATOM 1112 HG13 VAL A 98 0.085 9.133 7.261 1.00 0.00 H ATOM 1113 HG21 VAL A 98 -1.955 8.927 9.541 1.00 0.00 H ATOM 1114 HG22 VAL A 98 -2.765 10.477 9.207 1.00 0.00 H ATOM 1115 HG23 VAL A 98 -2.300 9.408 7.862 1.00 0.00 H ATOM 1116 H VAL A 98 -0.873 13.040 10.286 1.00 0.00 H ATOM 1117 N ARG A 99 2.178 10.816 10.520 1.00 26.69 N ATOM 1118 CA ARG A 99 3.569 11.266 10.433 1.00 27.48 C ATOM 1119 C ARG A 99 4.293 10.409 9.407 1.00 26.43 C ATOM 1120 O ARG A 99 4.240 9.172 9.471 1.00 25.21 O ATOM 1121 CB ARG A 99 4.275 11.145 11.782 1.00 30.05 C ATOM 1122 CG ARG A 99 3.869 12.200 12.789 1.00 34.46 C ATOM 1123 CD ARG A 99 4.640 12.054 14.105 1.00 37.79 C ATOM 1124 NE ARG A 99 4.164 13.036 15.081 1.00 42.57 N ATOM 1125 CZ ARG A 99 4.495 14.325 15.076 1.00 42.44 C ATOM 1126 NH1 ARG A 99 5.326 14.804 14.155 1.00 43.80 N ATOM 1127 NH2 ARG A 99 3.954 15.148 15.961 1.00 41.85 N ATOM 1128 HA ARG A 99 3.581 12.315 10.137 1.00 0.00 H ATOM 1129 HB2 ARG A 99 4.047 10.165 12.201 1.00 0.00 H ATOM 1130 HB3 ARG A 99 5.349 11.226 11.615 1.00 0.00 H ATOM 1131 HG2 ARG A 99 4.070 13.186 12.369 1.00 0.00 H ATOM 1132 HG3 ARG A 99 2.802 12.103 12.992 1.00 0.00 H ATOM 1133 HD2 ARG A 99 5.702 12.215 13.920 1.00 0.00 H ATOM 1134 HD3 ARG A 99 4.490 11.050 14.501 1.00 0.00 H ATOM 1135 HE ARG A 99 3.523 12.703 15.830 1.00 0.00 H ATOM 1136 HH12 ARG A 99 5.580 15.813 14.158 1.00 0.00 H ATOM 1137 HH11 ARG A 99 5.722 14.170 13.432 1.00 0.00 H ATOM 1138 HH22 ARG A 99 4.211 16.156 15.959 1.00 0.00 H ATOM 1139 HH21 ARG A 99 3.272 14.787 16.658 1.00 0.00 H ATOM 1140 H ARG A 99 1.969 9.895 10.955 1.00 0.00 H ATOM 1141 N ALA A 100 4.991 11.051 8.474 1.00 26.69 N ATOM 1142 CA ALA A 100 5.676 10.288 7.437 1.00 25.44 C ATOM 1143 C ALA A 100 6.882 10.927 6.770 1.00 26.29 C ATOM 1144 O ALA A 100 6.964 12.144 6.612 1.00 24.69 O ATOM 1145 CB ALA A 100 4.667 9.895 6.356 1.00 24.98 C ATOM 1146 HA ALA A 100 6.092 9.436 7.976 1.00 0.00 H ATOM 1147 HB1 ALA A 100 3.879 9.286 6.800 1.00 0.00 H ATOM 1148 HB2 ALA A 100 4.232 10.795 5.923 1.00 0.00 H ATOM 1149 HB3 ALA A 100 5.174 9.324 5.578 1.00 0.00 H ATOM 1150 H ALA A 100 5.048 12.089 8.484 1.00 0.00 H ATOM 1151 N LYS A 101 7.817 10.068 6.375 1.00 27.64 N ATOM 1152 CA LYS A 101 9.013 10.476 5.650 1.00 28.13 C ATOM 1153 C LYS A 101 8.714 10.117 4.202 1.00 26.77 C ATOM 1154 O LYS A 101 8.040 9.119 3.929 1.00 26.60 O ATOM 1155 CB LYS A 101 10.244 9.695 6.116 1.00 28.81 C ATOM 1156 CG LYS A 101 10.828 10.143 7.448 1.00 35.15 C ATOM 1157 CD LYS A 101 12.207 9.510 7.704 1.00 38.28 C ATOM 1158 CE LYS A 101 12.842 10.100 8.965 1.00 43.21 C ATOM 1159 NZ LYS A 101 14.195 9.561 9.304 1.00 44.18 N ATOM 1160 HA LYS A 101 9.232 11.533 5.804 1.00 0.00 H ATOM 1161 HB2 LYS A 101 9.964 8.645 6.206 1.00 0.00 H ATOM 1162 HB3 LYS A 101 11.018 9.799 5.356 1.00 0.00 H ATOM 1163 HG2 LYS A 101 10.932 11.228 7.442 1.00 0.00 H ATOM 1164 HG3 LYS A 101 10.149 9.849 8.249 1.00 0.00 H ATOM 1165 HD2 LYS A 101 12.090 8.434 7.831 1.00 0.00 H ATOM 1166 HD3 LYS A 101 12.856 9.705 6.850 1.00 0.00 H ATOM 1167 HE2 LYS A 101 12.177 9.898 9.805 1.00 0.00 H ATOM 1168 HE3 LYS A 101 12.932 11.177 8.826 1.00 0.00 H ATOM 1169 HZ1 LYS A 101 14.130 8.534 9.456 1.00 0.00 H ATOM 1170 HZ2 LYS A 101 14.851 9.756 8.521 1.00 0.00 H ATOM 1171 HZ3 LYS A 101 14.542 10.019 10.171 1.00 0.00 H ATOM 1172 H LYS A 101 7.689 9.059 6.593 1.00 0.00 H ATOM 1173 N PHE A 102 9.206 10.913 3.265 1.00 26.40 N ATOM 1174 CA PHE A 102 8.957 10.611 1.865 1.00 25.96 C ATOM 1175 C PHE A 102 10.149 10.962 0.993 1.00 27.22 C ATOM 1176 O PHE A 102 11.012 11.760 1.367 1.00 25.99 O ATOM 1177 CB PHE A 102 7.729 11.362 1.361 1.00 24.78 C ATOM 1178 CG PHE A 102 7.797 12.841 1.590 1.00 27.58 C ATOM 1179 CD1 PHE A 102 7.239 13.405 2.729 1.00 26.17 C ATOM 1180 CD2 PHE A 102 8.428 13.675 0.666 1.00 27.99 C ATOM 1181 CE1 PHE A 102 7.300 14.773 2.950 1.00 27.38 C ATOM 1182 CE2 PHE A 102 8.496 15.051 0.877 1.00 25.70 C ATOM 1183 CZ PHE A 102 7.928 15.601 2.024 1.00 28.32 C ATOM 1184 HA PHE A 102 8.783 9.537 1.798 1.00 0.00 H ATOM 1185 HB2 PHE A 102 7.630 11.183 0.290 1.00 0.00 H ATOM 1186 HB3 PHE A 102 6.851 10.973 1.876 1.00 0.00 H ATOM 1187 HD2 PHE A 102 8.873 13.245 -0.231 1.00 0.00 H ATOM 1188 HE2 PHE A 102 8.991 15.693 0.149 1.00 0.00 H ATOM 1189 HZ PHE A 102 7.975 16.676 2.196 1.00 0.00 H ATOM 1190 HE1 PHE A 102 6.856 15.200 3.849 1.00 0.00 H ATOM 1191 HD1 PHE A 102 6.746 12.764 3.460 1.00 0.00 H ATOM 1192 H PHE A 102 9.767 11.748 3.529 1.00 0.00 H ATOM 1193 N LYS A 103 10.171 10.363 -0.185 1.00 25.21 N ATOM 1194 CA LYS A 103 11.233 10.593 -1.132 1.00 24.95 C ATOM 1195 C LYS A 103 10.617 10.605 -2.520 1.00 26.96 C ATOM 1196 O LYS A 103 9.845 9.703 -2.879 1.00 25.30 O ATOM 1197 CB LYS A 103 12.250 9.471 -1.013 1.00 27.55 C ATOM 1198 CG LYS A 103 13.476 9.614 -1.876 1.00 32.87 C ATOM 1199 CD LYS A 103 14.268 8.333 -1.768 1.00 35.99 C ATOM 1200 CE LYS A 103 15.425 8.288 -2.723 1.00 39.12 C ATOM 1201 NZ LYS A 103 16.048 6.933 -2.667 1.00 44.66 N ATOM 1202 HA LYS A 103 11.736 11.541 -0.942 1.00 0.00 H ATOM 1203 HB2 LYS A 103 12.574 9.420 0.026 1.00 0.00 H ATOM 1204 HB3 LYS A 103 11.755 8.538 -1.284 1.00 0.00 H ATOM 1205 HG2 LYS A 103 13.183 9.783 -2.912 1.00 0.00 H ATOM 1206 HG3 LYS A 103 14.079 10.453 -1.529 1.00 0.00 H ATOM 1207 HD2 LYS A 103 14.650 8.243 -0.751 1.00 0.00 H ATOM 1208 HD3 LYS A 103 13.606 7.494 -1.981 1.00 0.00 H ATOM 1209 HE2 LYS A 103 16.161 9.041 -2.442 1.00 0.00 H ATOM 1210 HE3 LYS A 103 15.072 8.487 -3.735 1.00 0.00 H ATOM 1211 HZ1 LYS A 103 16.383 6.746 -1.700 1.00 0.00 H ATOM 1212 HZ2 LYS A 103 15.343 6.217 -2.935 1.00 0.00 H ATOM 1213 HZ3 LYS A 103 16.851 6.894 -3.327 1.00 0.00 H ATOM 1214 H LYS A 103 9.402 9.709 -0.435 1.00 0.00 H ATOM 1215 N PHE A 104 10.939 11.643 -3.286 1.00 25.39 N ATOM 1216 CA PHE A 104 10.462 11.783 -4.657 1.00 24.74 C ATOM 1217 C PHE A 104 11.662 11.639 -5.578 1.00 22.77 C ATOM 1218 O PHE A 104 12.761 12.093 -5.257 1.00 22.08 O ATOM 1219 CB PHE A 104 9.842 13.168 -4.896 1.00 24.06 C ATOM 1220 CG PHE A 104 8.438 13.333 -4.351 1.00 26.56 C ATOM 1221 CD1 PHE A 104 7.365 12.644 -4.917 1.00 30.65 C ATOM 1222 CD2 PHE A 104 8.187 14.216 -3.299 1.00 27.92 C ATOM 1223 CE1 PHE A 104 6.054 12.830 -4.445 1.00 31.47 C ATOM 1224 CE2 PHE A 104 6.893 14.414 -2.817 1.00 29.85 C ATOM 1225 CZ PHE A 104 5.819 13.720 -3.390 1.00 32.29 C ATOM 1226 HA PHE A 104 9.702 11.025 -4.847 1.00 0.00 H ATOM 1227 HB2 PHE A 104 10.481 13.913 -4.422 1.00 0.00 H ATOM 1228 HB3 PHE A 104 9.813 13.347 -5.971 1.00 0.00 H ATOM 1229 HD2 PHE A 104 9.016 14.760 -2.847 1.00 0.00 H ATOM 1230 HE2 PHE A 104 6.717 15.108 -1.995 1.00 0.00 H ATOM 1231 HZ PHE A 104 4.806 13.872 -3.017 1.00 0.00 H ATOM 1232 HE1 PHE A 104 5.226 12.285 -4.897 1.00 0.00 H ATOM 1233 HD1 PHE A 104 7.546 11.950 -5.738 1.00 0.00 H ATOM 1234 H PHE A 104 11.554 12.383 -2.892 1.00 0.00 H ATOM 1235 N SER A 105 11.452 11.008 -6.721 1.00 23.45 N ATOM 1236 CA SER A 105 12.512 10.851 -7.708 1.00 24.09 C ATOM 1237 C SER A 105 11.859 10.687 -9.059 1.00 22.76 C ATOM 1238 O SER A 105 10.631 10.581 -9.160 1.00 19.37 O ATOM 1239 CB SER A 105 13.361 9.620 -7.405 1.00 24.17 C ATOM 1240 OG SER A 105 12.540 8.467 -7.376 1.00 30.20 O ATOM 1241 HA SER A 105 13.164 11.724 -7.688 1.00 0.00 H ATOM 1242 HB2 SER A 105 13.846 9.744 -6.437 1.00 0.00 H ATOM 1243 HB3 SER A 105 14.121 9.505 -8.178 1.00 0.00 H ATOM 1244 HG SER A 105 11.851 8.572 -6.673 1.00 0.00 H ATOM 1245 H SER A 105 10.510 10.615 -6.920 1.00 0.00 H ATOM 1246 N ILE A 106 12.681 10.681 -10.099 1.00 22.81 N ATOM 1247 CA ILE A 106 12.194 10.497 -11.457 1.00 26.10 C ATOM 1248 C ILE A 106 12.809 9.212 -11.995 1.00 27.72 C ATOM 1249 O ILE A 106 13.978 8.930 -11.734 1.00 27.53 O ATOM 1250 CB ILE A 106 12.639 11.655 -12.386 1.00 26.12 C ATOM 1251 CG1 ILE A 106 11.910 12.942 -12.015 1.00 26.72 C ATOM 1252 CG2 ILE A 106 12.357 11.299 -13.841 1.00 27.25 C ATOM 1253 CD1 ILE A 106 12.390 14.146 -12.805 1.00 25.85 C ATOM 1254 HA ILE A 106 11.105 10.465 -11.437 1.00 0.00 H ATOM 1255 HB ILE A 106 13.711 11.809 -12.260 1.00 0.00 H ATOM 1256 HG12 ILE A 106 10.845 12.805 -12.204 1.00 0.00 H ATOM 1257 HG13 ILE A 106 12.068 13.137 -10.954 1.00 0.00 H ATOM 1258 HD11 ILE A 106 13.453 14.302 -12.618 1.00 0.00 H ATOM 1259 HD12 ILE A 106 12.229 13.969 -13.868 1.00 0.00 H ATOM 1260 HD13 ILE A 106 11.832 15.029 -12.494 1.00 0.00 H ATOM 1261 HG21 ILE A 106 12.907 10.396 -14.106 1.00 0.00 H ATOM 1262 HG22 ILE A 106 11.289 11.126 -13.971 1.00 0.00 H ATOM 1263 HG23 ILE A 106 12.674 12.121 -14.483 1.00 0.00 H ATOM 1264 H ILE A 106 13.700 10.811 -9.940 1.00 0.00 H ATOM 1265 N LEU A 107 12.029 8.427 -12.730 1.00 28.90 N ATOM 1266 CA LEU A 107 12.572 7.209 -13.329 1.00 32.16 C ATOM 1267 C LEU A 107 12.982 7.563 -14.753 1.00 32.00 C ATOM 1268 O LEU A 107 12.174 8.094 -15.522 1.00 32.10 O ATOM 1269 CB LEU A 107 11.531 6.087 -13.341 1.00 32.14 C ATOM 1270 CG LEU A 107 11.120 5.610 -11.939 1.00 36.48 C ATOM 1271 CD1 LEU A 107 10.159 4.424 -12.074 1.00 36.85 C ATOM 1272 CD2 LEU A 107 12.358 5.225 -11.118 1.00 36.75 C ATOM 1273 HA LEU A 107 13.422 6.848 -12.750 1.00 0.00 H ATOM 1274 HB2 LEU A 107 10.641 6.448 -13.856 1.00 0.00 H ATOM 1275 HB3 LEU A 107 11.945 5.239 -13.886 1.00 0.00 H ATOM 1276 HG LEU A 107 10.614 6.419 -11.412 1.00 0.00 H ATOM 1277 HD21 LEU A 107 12.892 4.421 -11.624 1.00 0.00 H ATOM 1278 HD22 LEU A 107 13.012 6.092 -11.020 1.00 0.00 H ATOM 1279 HD23 LEU A 107 12.046 4.890 -10.129 1.00 0.00 H ATOM 1280 HD11 LEU A 107 9.275 4.736 -12.630 1.00 0.00 H ATOM 1281 HD12 LEU A 107 10.657 3.613 -12.606 1.00 0.00 H ATOM 1282 HD13 LEU A 107 9.864 4.082 -11.082 1.00 0.00 H ATOM 1283 H LEU A 107 11.031 8.679 -12.879 1.00 0.00 H ATOM 1284 N ASN A 108 14.231 7.282 -15.109 1.00 32.09 N ATOM 1285 CA ASN A 108 14.705 7.621 -16.442 1.00 34.14 C ATOM 1286 C ASN A 108 14.375 6.611 -17.535 1.00 36.38 C ATOM 1287 O ASN A 108 13.630 5.653 -17.329 1.00 37.94 O ATOM 1288 CB ASN A 108 16.214 7.879 -16.421 1.00 36.27 C ATOM 1289 CG ASN A 108 17.011 6.653 -16.032 1.00 35.70 C ATOM 1290 OD1 ASN A 108 16.702 5.538 -16.453 1.00 34.69 O ATOM 1291 ND2 ASN A 108 18.056 6.857 -15.240 1.00 38.27 N ATOM 1292 HA ASN A 108 14.155 8.524 -16.706 1.00 0.00 H ATOM 1293 HB2 ASN A 108 16.527 8.198 -17.415 1.00 0.00 H ATOM 1294 HB3 ASN A 108 16.422 8.673 -15.704 1.00 0.00 H ATOM 1295 HD22 ASN A 108 18.278 7.818 -14.909 1.00 0.00 H ATOM 1296 HD21 ASN A 108 18.653 6.056 -14.950 1.00 0.00 H ATOM 1297 H ASN A 108 14.871 6.819 -14.433 1.00 0.00 H ATOM 1298 N ALA A 109 14.944 6.847 -18.710 1.00 39.49 N ATOM 1299 CA ALA A 109 14.726 5.999 -19.875 1.00 43.21 C ATOM 1300 C ALA A 109 15.082 4.547 -19.586 1.00 44.57 C ATOM 1301 O ALA A 109 14.368 3.632 -20.001 1.00 43.43 O ATOM 1302 CB ALA A 109 15.553 6.515 -21.053 1.00 43.61 C ATOM 1303 HA ALA A 109 13.666 6.038 -20.126 1.00 0.00 H ATOM 1304 HB1 ALA A 109 15.251 7.536 -21.288 1.00 0.00 H ATOM 1305 HB2 ALA A 109 16.610 6.499 -20.788 1.00 0.00 H ATOM 1306 HB3 ALA A 109 15.385 5.877 -21.920 1.00 0.00 H ATOM 1307 H ALA A 109 15.571 7.671 -18.804 1.00 0.00 H ATOM 1308 N LYS A 110 16.187 4.352 -18.872 1.00 45.54 N ATOM 1309 CA LYS A 110 16.654 3.017 -18.523 1.00 47.33 C ATOM 1310 C LYS A 110 15.928 2.408 -17.324 1.00 47.09 C ATOM 1311 O LYS A 110 16.249 1.298 -16.894 1.00 46.55 O ATOM 1312 CB LYS A 110 18.166 3.046 -18.267 1.00 49.31 C ATOM 1313 CG LYS A 110 18.984 3.306 -19.530 1.00 50.60 C ATOM 1314 CD LYS A 110 20.443 2.891 -19.369 1.00 54.08 C ATOM 1315 CE LYS A 110 21.194 2.973 -20.696 1.00 55.49 C ATOM 1316 NZ LYS A 110 22.573 2.395 -20.622 1.00 56.12 N ATOM 1317 HA LYS A 110 16.427 2.375 -19.374 1.00 0.00 H ATOM 1318 HB2 LYS A 110 18.381 3.835 -17.546 1.00 0.00 H ATOM 1319 HB3 LYS A 110 18.466 2.084 -17.851 1.00 0.00 H ATOM 1320 HG2 LYS A 110 18.547 2.741 -20.354 1.00 0.00 H ATOM 1321 HG3 LYS A 110 18.945 4.371 -19.760 1.00 0.00 H ATOM 1322 HD2 LYS A 110 20.923 3.553 -18.648 1.00 0.00 H ATOM 1323 HD3 LYS A 110 20.482 1.866 -19.002 1.00 0.00 H ATOM 1324 HE2 LYS A 110 21.271 4.020 -20.988 1.00 0.00 H ATOM 1325 HE3 LYS A 110 20.628 2.427 -21.451 1.00 0.00 H ATOM 1326 HZ1 LYS A 110 23.127 2.914 -19.911 1.00 0.00 H ATOM 1327 HZ2 LYS A 110 22.513 1.392 -20.353 1.00 0.00 H ATOM 1328 HZ3 LYS A 110 23.033 2.479 -21.551 1.00 0.00 H ATOM 1329 H LYS A 110 16.734 5.177 -18.553 1.00 0.00 H ATOM 1330 N GLY A 111 14.946 3.137 -16.796 1.00 47.10 N ATOM 1331 CA GLY A 111 14.175 2.659 -15.658 1.00 45.33 C ATOM 1332 C GLY A 111 14.822 2.895 -14.304 1.00 44.04 C ATOM 1333 O GLY A 111 14.277 2.498 -13.277 1.00 45.54 O ATOM 1334 HA3 GLY A 111 14.022 1.587 -15.778 1.00 0.00 H ATOM 1335 HA2 GLY A 111 13.210 3.165 -15.666 1.00 0.00 H ATOM 1336 H GLY A 111 14.726 4.067 -17.206 1.00 0.00 H ATOM 1337 N GLU A 112 15.978 3.550 -14.296 1.00 42.86 N ATOM 1338 CA GLU A 112 16.706 3.823 -13.060 1.00 41.05 C ATOM 1339 C GLU A 112 16.203 5.101 -12.387 1.00 40.01 C ATOM 1340 O GLU A 112 15.576 5.940 -13.032 1.00 37.67 O ATOM 1341 CB GLU A 112 18.190 3.979 -13.373 1.00 42.95 C ATOM 1342 CG GLU A 112 18.703 3.023 -14.436 1.00 48.71 C ATOM 1343 CD GLU A 112 19.907 3.581 -15.178 1.00 52.58 C ATOM 1344 OE1 GLU A 112 19.744 4.585 -15.904 1.00 53.82 O ATOM 1345 OE2 GLU A 112 21.019 3.024 -15.035 1.00 55.87 O ATOM 1346 HA GLU A 112 16.544 2.987 -12.379 1.00 0.00 H ATOM 1347 HB2 GLU A 112 18.362 4.999 -13.717 1.00 0.00 H ATOM 1348 HB3 GLU A 112 18.754 3.806 -12.456 1.00 0.00 H ATOM 1349 HG2 GLU A 112 18.988 2.086 -13.958 1.00 0.00 H ATOM 1350 HG3 GLU A 112 17.905 2.834 -15.154 1.00 0.00 H ATOM 1351 H GLU A 112 16.377 3.879 -15.198 1.00 0.00 H ATOM 1352 N GLU A 113 16.492 5.241 -11.093 1.00 38.58 N ATOM 1353 CA GLU A 113 16.095 6.418 -10.324 1.00 37.29 C ATOM 1354 C GLU A 113 17.117 7.536 -10.468 1.00 36.03 C ATOM 1355 O GLU A 113 18.327 7.295 -10.504 1.00 34.44 O ATOM 1356 CB GLU A 113 15.973 6.087 -8.840 1.00 38.11 C ATOM 1357 CG GLU A 113 14.601 5.682 -8.381 1.00 42.46 C ATOM 1358 CD GLU A 113 14.556 5.411 -6.887 1.00 44.23 C ATOM 1359 OE1 GLU A 113 14.768 6.356 -6.097 1.00 42.97 O ATOM 1360 OE2 GLU A 113 14.314 4.243 -6.507 1.00 47.75 O ATOM 1361 HA GLU A 113 15.131 6.740 -10.717 1.00 0.00 H ATOM 1362 HB2 GLU A 113 16.657 5.267 -8.621 1.00 0.00 H ATOM 1363 HB3 GLU A 113 16.271 6.969 -8.273 1.00 0.00 H ATOM 1364 HG2 GLU A 113 13.901 6.484 -8.614 1.00 0.00 H ATOM 1365 HG3 GLU A 113 14.305 4.777 -8.912 1.00 0.00 H ATOM 1366 H GLU A 113 17.020 4.484 -10.613 1.00 0.00 H ATOM 1367 N THR A 114 16.626 8.766 -10.535 1.00 33.45 N ATOM 1368 CA THR A 114 17.505 9.913 -10.652 1.00 32.15 C ATOM 1369 C THR A 114 16.791 11.134 -10.093 1.00 31.56 C ATOM 1370 O THR A 114 15.562 11.139 -9.953 1.00 30.78 O ATOM 1371 CB THR A 114 17.912 10.173 -12.117 1.00 34.22 C ATOM 1372 OG1 THR A 114 18.804 11.299 -12.168 1.00 34.59 O ATOM 1373 CG2 THR A 114 16.679 10.441 -12.992 1.00 31.20 C ATOM 1374 HA THR A 114 18.416 9.711 -10.089 1.00 0.00 H ATOM 1375 HB THR A 114 18.414 9.286 -12.504 1.00 0.00 H ATOM 1376 HG1 THR A 114 19.611 11.104 -11.628 1.00 0.00 H ATOM 1377 HG23 THR A 114 16.009 9.582 -12.947 1.00 0.00 H ATOM 1378 HG21 THR A 114 16.161 11.327 -12.626 1.00 0.00 H ATOM 1379 HG22 THR A 114 16.995 10.603 -14.023 1.00 0.00 H ATOM 1380 H THR A 114 15.596 8.910 -10.503 1.00 0.00 H ATOM 1381 N LYS A 115 17.568 12.153 -9.753 1.00 29.75 N ATOM 1382 CA LYS A 115 17.011 13.378 -9.207 1.00 28.91 C ATOM 1383 C LYS A 115 16.165 13.142 -7.966 1.00 29.07 C ATOM 1384 O LYS A 115 15.113 13.758 -7.782 1.00 27.20 O ATOM 1385 CB LYS A 115 16.197 14.087 -10.291 1.00 26.78 C ATOM 1386 CG LYS A 115 17.102 14.706 -11.327 1.00 28.60 C ATOM 1387 CD LYS A 115 18.103 15.551 -10.581 1.00 30.86 C ATOM 1388 CE LYS A 115 19.025 16.339 -11.464 1.00 32.47 C ATOM 1389 NZ LYS A 115 19.912 17.138 -10.563 1.00 32.50 N ATOM 1390 HA LYS A 115 17.842 14.009 -8.891 1.00 0.00 H ATOM 1391 HB2 LYS A 115 15.542 13.363 -10.776 1.00 0.00 H ATOM 1392 HB3 LYS A 115 15.594 14.870 -9.830 1.00 0.00 H ATOM 1393 HG2 LYS A 115 17.615 13.927 -11.892 1.00 0.00 H ATOM 1394 HG3 LYS A 115 16.522 15.326 -12.010 1.00 0.00 H ATOM 1395 HD2 LYS A 115 17.556 16.250 -9.948 1.00 0.00 H ATOM 1396 HD3 LYS A 115 18.707 14.893 -9.956 1.00 0.00 H ATOM 1397 HE2 LYS A 115 18.450 17.003 -12.109 1.00 0.00 H ATOM 1398 HE3 LYS A 115 19.623 15.666 -12.078 1.00 0.00 H ATOM 1399 HZ1 LYS A 115 19.330 17.771 -9.978 1.00 0.00 H ATOM 1400 HZ2 LYS A 115 20.450 16.494 -9.949 1.00 0.00 H ATOM 1401 HZ3 LYS A 115 20.570 17.702 -11.138 1.00 0.00 H ATOM 1402 H LYS A 115 18.597 12.073 -9.880 1.00 0.00 H ATOM 1403 N ALA A 116 16.637 12.251 -7.106 1.00 26.83 N ATOM 1404 CA ALA A 116 15.910 11.954 -5.893 1.00 28.03 C ATOM 1405 C ALA A 116 16.135 13.052 -4.868 1.00 29.45 C ATOM 1406 O ALA A 116 17.223 13.625 -4.786 1.00 28.85 O ATOM 1407 CB ALA A 116 16.354 10.622 -5.327 1.00 27.35 C ATOM 1408 HA ALA A 116 14.847 11.899 -6.129 1.00 0.00 H ATOM 1409 HB1 ALA A 116 16.163 9.836 -6.058 1.00 0.00 H ATOM 1410 HB2 ALA A 116 17.420 10.661 -5.103 1.00 0.00 H ATOM 1411 HB3 ALA A 116 15.797 10.413 -4.414 1.00 0.00 H ATOM 1412 H ALA A 116 17.534 11.764 -7.305 1.00 0.00 H ATOM 1413 N MET A 117 15.078 13.344 -4.116 1.00 29.82 N ATOM 1414 CA MET A 117 15.077 14.330 -3.035 1.00 31.80 C ATOM 1415 C MET A 117 14.264 13.663 -1.944 1.00 31.02 C ATOM 1416 O MET A 117 13.218 13.094 -2.221 1.00 32.95 O ATOM 1417 CB MET A 117 14.350 15.635 -3.423 1.00 32.06 C ATOM 1418 CG MET A 117 15.125 16.599 -4.323 1.00 38.24 C ATOM 1419 SD MET A 117 14.477 18.305 -4.214 1.00 38.53 S ATOM 1420 CE MET A 117 15.925 19.263 -4.812 1.00 40.53 C ATOM 1421 HA MET A 117 16.096 14.602 -2.761 1.00 0.00 H ATOM 1422 HB2 MET A 117 13.431 15.362 -3.941 1.00 0.00 H ATOM 1423 HB3 MET A 117 14.103 16.165 -2.503 1.00 0.00 H ATOM 1424 HG2 MET A 117 15.047 16.258 -5.355 1.00 0.00 H ATOM 1425 HG3 MET A 117 16.172 16.600 -4.020 1.00 0.00 H ATOM 1426 HE1 MET A 117 16.777 19.077 -4.158 1.00 0.00 H ATOM 1427 HE2 MET A 117 16.170 18.953 -5.828 1.00 0.00 H ATOM 1428 HE3 MET A 117 15.684 20.326 -4.803 1.00 0.00 H ATOM 1429 H MET A 117 14.191 12.837 -4.310 1.00 0.00 H ATOM 1430 N GLU A 118 14.722 13.711 -0.707 1.00 32.01 N ATOM 1431 CA GLU A 118 13.927 13.109 0.348 1.00 32.78 C ATOM 1432 C GLU A 118 13.729 14.035 1.524 1.00 32.70 C ATOM 1433 O GLU A 118 14.545 14.922 1.777 1.00 30.29 O ATOM 1434 CB GLU A 118 14.530 11.785 0.826 1.00 34.48 C ATOM 1435 CG GLU A 118 16.033 11.720 0.896 1.00 42.34 C ATOM 1436 CD GLU A 118 16.512 10.369 1.408 1.00 47.31 C ATOM 1437 OE1 GLU A 118 16.439 10.143 2.640 1.00 49.16 O ATOM 1438 OE2 GLU A 118 16.947 9.533 0.582 1.00 47.72 O ATOM 1439 HA GLU A 118 12.949 12.912 -0.092 1.00 0.00 H ATOM 1440 HB2 GLU A 118 14.142 11.585 1.825 1.00 0.00 H ATOM 1441 HB3 GLU A 118 14.195 11.003 0.145 1.00 0.00 H ATOM 1442 HG2 GLU A 118 16.441 11.886 -0.101 1.00 0.00 H ATOM 1443 HG3 GLU A 118 16.390 12.500 1.568 1.00 0.00 H ATOM 1444 H GLU A 118 15.631 14.169 -0.493 1.00 0.00 H ATOM 1445 N SER A 119 12.604 13.855 2.209 1.00 32.66 N ATOM 1446 CA SER A 119 12.311 14.646 3.394 1.00 35.80 C ATOM 1447 C SER A 119 13.366 14.120 4.355 1.00 37.51 C ATOM 1448 O SER A 119 13.531 12.914 4.490 1.00 40.34 O ATOM 1449 CB SER A 119 10.909 14.327 3.927 1.00 31.07 C ATOM 1450 OG SER A 119 10.842 13.001 4.436 1.00 28.13 O ATOM 1451 HA SER A 119 12.330 15.724 3.232 1.00 0.00 H ATOM 1452 HB2 SER A 119 10.187 14.434 3.117 1.00 0.00 H ATOM 1453 HB3 SER A 119 10.664 15.027 4.725 1.00 0.00 H ATOM 1454 HG SER A 119 11.492 12.899 5.175 1.00 0.00 H ATOM 1455 H SER A 119 11.922 13.137 1.892 1.00 0.00 H ATOM 1456 N GLN A 120 14.097 15.003 5.006 1.00 41.05 N ATOM 1457 CA GLN A 120 15.140 14.541 5.917 1.00 44.22 C ATOM 1458 C GLN A 120 14.517 13.790 7.086 1.00 43.08 C ATOM 1459 O GLN A 120 14.948 12.707 7.474 1.00 42.99 O ATOM 1460 CB GLN A 120 15.924 15.744 6.431 1.00 46.90 C ATOM 1461 CG GLN A 120 16.368 16.655 5.314 1.00 51.05 C ATOM 1462 CD GLN A 120 17.412 16.005 4.443 1.00 53.16 C ATOM 1463 OE1 GLN A 120 18.607 16.116 4.710 1.00 55.76 O ATOM 1464 NE2 GLN A 120 16.971 15.300 3.404 1.00 53.43 N ATOM 1465 HA GLN A 120 15.812 13.866 5.387 1.00 0.00 H ATOM 1466 HB2 GLN A 120 15.291 16.310 7.115 1.00 0.00 H ATOM 1467 HB3 GLN A 120 16.805 15.387 6.964 1.00 0.00 H ATOM 1468 HG2 GLN A 120 15.504 16.908 4.700 1.00 0.00 H ATOM 1469 HG3 GLN A 120 16.785 17.565 5.745 1.00 0.00 H ATOM 1470 HE22 GLN A 120 15.950 15.234 3.216 1.00 0.00 H ATOM 1471 HE21 GLN A 120 17.647 14.815 2.780 1.00 0.00 H ATOM 1472 H GLN A 120 13.932 16.021 4.872 1.00 0.00 H ATOM 1473 N ARG A 121 13.469 14.391 7.618 1.00 43.96 N ATOM 1474 CA ARG A 121 12.752 13.873 8.764 1.00 42.83 C ATOM 1475 C ARG A 121 11.336 13.533 8.330 1.00 41.34 C ATOM 1476 O ARG A 121 10.992 13.651 7.152 1.00 41.62 O ATOM 1477 CB ARG A 121 12.723 14.974 9.816 1.00 45.15 C ATOM 1478 CG ARG A 121 12.172 16.277 9.239 1.00 46.63 C ATOM 1479 CD ARG A 121 12.392 17.470 10.149 1.00 51.87 C ATOM 1480 NE ARG A 121 11.421 18.536 9.893 1.00 55.24 N ATOM 1481 CZ ARG A 121 10.159 18.515 10.316 1.00 56.64 C ATOM 1482 NH1 ARG A 121 9.704 17.485 11.021 1.00 59.48 N ATOM 1483 NH2 ARG A 121 9.349 19.528 10.041 1.00 57.94 N ATOM 1484 HA ARG A 121 13.227 12.979 9.167 1.00 0.00 H ATOM 1485 HB2 ARG A 121 12.091 14.657 10.645 1.00 0.00 H ATOM 1486 HB3 ARG A 121 13.736 15.146 10.179 1.00 0.00 H ATOM 1487 HG2 ARG A 121 12.665 16.471 8.287 1.00 0.00 H ATOM 1488 HG3 ARG A 121 11.101 16.159 9.075 1.00 0.00 H ATOM 1489 HD2 ARG A 121 13.396 17.860 9.983 1.00 0.00 H ATOM 1490 HD3 ARG A 121 12.296 17.146 11.185 1.00 0.00 H ATOM 1491 HE ARG A 121 11.738 19.362 9.346 1.00 0.00 H ATOM 1492 HH12 ARG A 121 8.717 17.475 11.349 1.00 0.00 H ATOM 1493 HH11 ARG A 121 10.335 16.689 11.245 1.00 0.00 H ATOM 1494 HH22 ARG A 121 8.363 19.510 10.372 1.00 0.00 H ATOM 1495 HH21 ARG A 121 9.699 20.340 9.494 1.00 0.00 H ATOM 1496 H ARG A 121 13.142 15.282 7.192 1.00 0.00 H ATOM 1497 N ALA A 122 10.515 13.105 9.281 1.00 39.04 N ATOM 1498 CA ALA A 122 9.120 12.794 8.993 1.00 36.50 C ATOM 1499 C ALA A 122 8.376 14.106 9.160 1.00 35.98 C ATOM 1500 O ALA A 122 8.807 14.972 9.920 1.00 37.44 O ATOM 1501 CB ALA A 122 8.587 11.759 9.974 1.00 32.85 C ATOM 1502 HA ALA A 122 8.998 12.376 7.994 1.00 0.00 H ATOM 1503 HB1 ALA A 122 9.177 10.846 9.893 1.00 0.00 H ATOM 1504 HB2 ALA A 122 8.659 12.151 10.989 1.00 0.00 H ATOM 1505 HB3 ALA A 122 7.545 11.542 9.741 1.00 0.00 H ATOM 1506 H ALA A 122 10.874 12.989 10.250 1.00 0.00 H ATOM 1507 N TYR A 123 7.279 14.268 8.435 1.00 33.11 N ATOM 1508 CA TYR A 123 6.494 15.479 8.537 1.00 33.67 C ATOM 1509 C TYR A 123 5.087 15.133 9.002 1.00 33.93 C ATOM 1510 O TYR A 123 4.607 14.018 8.801 1.00 32.23 O ATOM 1511 CB TYR A 123 6.473 16.214 7.190 1.00 34.18 C ATOM 1512 CG TYR A 123 7.736 17.024 6.947 1.00 34.49 C ATOM 1513 CD1 TYR A 123 7.740 18.407 7.120 1.00 35.62 C ATOM 1514 CD2 TYR A 123 8.933 16.403 6.576 1.00 34.08 C ATOM 1515 CE1 TYR A 123 8.902 19.158 6.929 1.00 33.98 C ATOM 1516 CE2 TYR A 123 10.102 17.143 6.383 1.00 35.88 C ATOM 1517 CZ TYR A 123 10.072 18.529 6.558 1.00 33.93 C ATOM 1518 OH TYR A 123 11.194 19.287 6.309 1.00 33.60 O ATOM 1519 HA TYR A 123 6.946 16.147 9.270 1.00 0.00 H ATOM 1520 HB3 TYR A 123 5.617 16.888 7.173 1.00 0.00 H ATOM 1521 HB2 TYR A 123 6.371 15.479 6.392 1.00 0.00 H ATOM 1522 HD2 TYR A 123 8.954 15.322 6.435 1.00 0.00 H ATOM 1523 HE2 TYR A 123 11.028 16.644 6.099 1.00 0.00 H ATOM 1524 HE1 TYR A 123 8.884 20.238 7.073 1.00 0.00 H ATOM 1525 HD1 TYR A 123 6.819 18.912 7.410 1.00 0.00 H ATOM 1526 HH TYR A 123 10.992 20.240 6.484 1.00 0.00 H ATOM 1527 H TYR A 123 6.978 13.515 7.784 1.00 0.00 H ATOM 1528 N ARG A 124 4.443 16.099 9.643 1.00 32.71 N ATOM 1529 CA ARG A 124 3.105 15.920 10.174 1.00 32.20 C ATOM 1530 C ARG A 124 2.016 16.273 9.157 1.00 30.78 C ATOM 1531 O ARG A 124 1.797 17.438 8.842 1.00 28.53 O ATOM 1532 CB ARG A 124 2.968 16.764 11.446 1.00 34.79 C ATOM 1533 CG ARG A 124 1.593 16.763 12.088 1.00 35.77 C ATOM 1534 CD ARG A 124 1.609 17.507 13.438 1.00 39.14 C ATOM 1535 NE ARG A 124 0.302 17.476 14.094 1.00 40.86 N ATOM 1536 CZ ARG A 124 -0.763 18.162 13.683 1.00 41.52 C ATOM 1537 NH1 ARG A 124 -0.677 18.949 12.619 1.00 43.40 N ATOM 1538 NH2 ARG A 124 -1.921 18.048 14.324 1.00 42.88 N ATOM 1539 HA ARG A 124 2.963 14.865 10.408 1.00 0.00 H ATOM 1540 HB2 ARG A 124 3.681 16.385 12.179 1.00 0.00 H ATOM 1541 HB3 ARG A 124 3.220 17.794 11.194 1.00 0.00 H ATOM 1542 HG2 ARG A 124 0.887 17.255 11.419 1.00 0.00 H ATOM 1543 HG3 ARG A 124 1.278 15.733 12.253 1.00 0.00 H ATOM 1544 HD2 ARG A 124 1.892 18.545 13.265 1.00 0.00 H ATOM 1545 HD3 ARG A 124 2.343 17.036 14.092 1.00 0.00 H ATOM 1546 HE ARG A 124 0.197 16.878 14.938 1.00 0.00 H ATOM 1547 HH12 ARG A 124 -1.510 19.484 12.299 1.00 0.00 H ATOM 1548 HH11 ARG A 124 0.223 19.031 12.104 1.00 0.00 H ATOM 1549 HH22 ARG A 124 -2.750 18.586 14.000 1.00 0.00 H ATOM 1550 HH21 ARG A 124 -1.998 17.421 15.150 1.00 0.00 H ATOM 1551 H ARG A 124 4.914 17.018 9.769 1.00 0.00 H ATOM 1552 N PHE A 125 1.353 15.242 8.634 1.00 29.40 N ATOM 1553 CA PHE A 125 0.277 15.410 7.666 1.00 28.16 C ATOM 1554 C PHE A 125 -1.036 15.384 8.420 1.00 29.84 C ATOM 1555 O PHE A 125 -1.158 14.712 9.445 1.00 33.66 O ATOM 1556 CB PHE A 125 0.244 14.242 6.657 1.00 27.24 C ATOM 1557 CG PHE A 125 1.390 14.226 5.680 1.00 25.19 C ATOM 1558 CD1 PHE A 125 1.218 14.681 4.369 1.00 24.12 C ATOM 1559 CD2 PHE A 125 2.643 13.756 6.067 1.00 24.63 C ATOM 1560 CE1 PHE A 125 2.276 14.667 3.458 1.00 21.32 C ATOM 1561 CE2 PHE A 125 3.705 13.737 5.166 1.00 19.26 C ATOM 1562 CZ PHE A 125 3.524 14.194 3.859 1.00 22.80 C ATOM 1563 HA PHE A 125 0.435 16.346 7.130 1.00 0.00 H ATOM 1564 HB2 PHE A 125 0.261 13.307 7.218 1.00 0.00 H ATOM 1565 HB3 PHE A 125 -0.685 14.307 6.091 1.00 0.00 H ATOM 1566 HD2 PHE A 125 2.794 13.399 7.086 1.00 0.00 H ATOM 1567 HE2 PHE A 125 4.680 13.365 5.482 1.00 0.00 H ATOM 1568 HZ PHE A 125 4.356 14.181 3.155 1.00 0.00 H ATOM 1569 HE1 PHE A 125 2.127 15.024 2.439 1.00 0.00 H ATOM 1570 HD1 PHE A 125 0.243 15.052 4.053 1.00 0.00 H ATOM 1571 H PHE A 125 1.614 14.279 8.928 1.00 0.00 H ATOM 1572 N VAL A 126 -2.006 16.141 7.925 1.00 31.74 N ATOM 1573 CA VAL A 126 -3.358 16.144 8.475 1.00 33.12 C ATOM 1574 C VAL A 126 -4.201 16.106 7.211 1.00 33.12 C ATOM 1575 O VAL A 126 -3.675 16.320 6.110 1.00 32.86 O ATOM 1576 CB VAL A 126 -3.706 17.412 9.305 1.00 34.13 C ATOM 1577 CG1 VAL A 126 -3.087 17.307 10.691 1.00 32.31 C ATOM 1578 CG2 VAL A 126 -3.224 18.671 8.592 1.00 35.54 C ATOM 1579 HA VAL A 126 -3.512 15.324 9.177 1.00 0.00 H ATOM 1580 HB VAL A 126 -4.789 17.479 9.408 1.00 0.00 H ATOM 1581 HG11 VAL A 126 -3.480 16.425 11.197 1.00 0.00 H ATOM 1582 HG12 VAL A 126 -2.004 17.222 10.598 1.00 0.00 H ATOM 1583 HG13 VAL A 126 -3.335 18.199 11.267 1.00 0.00 H ATOM 1584 HG21 VAL A 126 -2.143 18.621 8.460 1.00 0.00 H ATOM 1585 HG22 VAL A 126 -3.707 18.743 7.618 1.00 0.00 H ATOM 1586 HG23 VAL A 126 -3.478 19.546 9.191 1.00 0.00 H ATOM 1587 H VAL A 126 -1.795 16.756 7.114 1.00 0.00 H ATOM 1588 N GLN A 127 -5.487 15.822 7.361 1.00 34.28 N ATOM 1589 CA GLN A 127 -6.402 15.737 6.227 1.00 35.44 C ATOM 1590 C GLN A 127 -6.512 16.969 5.355 1.00 35.36 C ATOM 1591 O GLN A 127 -6.947 18.027 5.804 1.00 37.55 O ATOM 1592 CB GLN A 127 -7.794 15.343 6.709 1.00 35.50 C ATOM 1593 CG GLN A 127 -8.062 13.890 6.478 1.00 36.07 C ATOM 1594 CD GLN A 127 -9.411 13.449 6.967 1.00 33.84 C ATOM 1595 OE1 GLN A 127 -10.440 14.051 6.640 1.00 33.95 O ATOM 1596 NE2 GLN A 127 -9.424 12.374 7.738 1.00 32.10 N ATOM 1597 HA GLN A 127 -5.957 14.976 5.586 1.00 0.00 H ATOM 1598 HB2 GLN A 127 -7.873 15.553 7.776 1.00 0.00 H ATOM 1599 HB3 GLN A 127 -8.536 15.931 6.169 1.00 0.00 H ATOM 1600 HG2 GLN A 127 -8.000 13.693 5.408 1.00 0.00 H ATOM 1601 HG3 GLN A 127 -7.299 13.310 6.998 1.00 0.00 H ATOM 1602 HE22 GLN A 127 -8.532 11.901 7.986 1.00 0.00 H ATOM 1603 HE21 GLN A 127 -10.327 12.002 8.096 1.00 0.00 H ATOM 1604 H GLN A 127 -5.856 15.654 8.319 1.00 0.00 H ATOM 1605 N GLY A 128 -6.124 16.813 4.093 1.00 35.45 N ATOM 1606 CA GLY A 128 -6.187 17.917 3.161 1.00 35.53 C ATOM 1607 C GLY A 128 -4.902 18.716 3.082 1.00 36.29 C ATOM 1608 O GLY A 128 -4.826 19.685 2.326 1.00 36.29 O ATOM 1609 HA3 GLY A 128 -6.990 18.585 3.471 1.00 0.00 H ATOM 1610 HA2 GLY A 128 -6.408 17.520 2.170 1.00 0.00 H ATOM 1611 H GLY A 128 -5.772 15.888 3.773 1.00 0.00 H ATOM 1612 N LYS A 129 -3.891 18.322 3.857 1.00 36.38 N ATOM 1613 CA LYS A 129 -2.616 19.028 3.840 1.00 36.66 C ATOM 1614 C LYS A 129 -1.540 18.240 3.088 1.00 36.23 C ATOM 1615 O LYS A 129 -1.518 17.006 3.124 1.00 34.84 O ATOM 1616 CB LYS A 129 -2.129 19.290 5.265 1.00 40.00 C ATOM 1617 CG LYS A 129 -0.985 20.301 5.321 1.00 43.29 C ATOM 1618 CD LYS A 129 -0.377 20.414 6.711 1.00 45.72 C ATOM 1619 CE LYS A 129 0.408 21.708 6.856 1.00 46.54 C ATOM 1620 NZ LYS A 129 1.219 21.987 5.640 1.00 47.52 N ATOM 1621 HA LYS A 129 -2.783 19.973 3.323 1.00 0.00 H ATOM 1622 HB2 LYS A 129 -2.962 19.673 5.854 1.00 0.00 H ATOM 1623 HB3 LYS A 129 -1.785 18.349 5.695 1.00 0.00 H ATOM 1624 HG2 LYS A 129 -0.208 19.989 4.623 1.00 0.00 H ATOM 1625 HG3 LYS A 129 -1.367 21.278 5.025 1.00 0.00 H ATOM 1626 HD2 LYS A 129 -1.175 20.396 7.453 1.00 0.00 H ATOM 1627 HD3 LYS A 129 0.292 19.570 6.878 1.00 0.00 H ATOM 1628 HE2 LYS A 129 1.073 21.626 7.716 1.00 0.00 H ATOM 1629 HE3 LYS A 129 -0.289 22.531 7.015 1.00 0.00 H ATOM 1630 HZ1 LYS A 129 1.890 21.208 5.486 1.00 0.00 H ATOM 1631 HZ2 LYS A 129 0.589 22.072 4.817 1.00 0.00 H ATOM 1632 HZ3 LYS A 129 1.743 22.876 5.770 1.00 0.00 H ATOM 1633 H LYS A 129 -4.014 17.500 4.482 1.00 0.00 H ATOM 1634 N ASP A 130 -0.654 18.951 2.395 1.00 34.70 N ATOM 1635 CA ASP A 130 0.418 18.286 1.669 1.00 33.06 C ATOM 1636 C ASP A 130 1.797 18.802 2.055 1.00 31.79 C ATOM 1637 O ASP A 130 1.923 19.820 2.735 1.00 31.83 O ATOM 1638 CB ASP A 130 0.215 18.378 0.132 1.00 32.98 C ATOM 1639 CG ASP A 130 0.412 19.802 -0.453 1.00 31.94 C ATOM 1640 OD1 ASP A 130 0.987 20.697 0.196 1.00 32.44 O ATOM 1641 OD2 ASP A 130 0.000 20.009 -1.617 1.00 31.78 O ATOM 1642 HA ASP A 130 0.370 17.237 1.960 1.00 0.00 H ATOM 1643 HB2 ASP A 130 0.930 17.709 -0.348 1.00 0.00 H ATOM 1644 HB3 ASP A 130 -0.799 18.051 -0.099 1.00 0.00 H ATOM 1645 H ASP A 130 -0.728 19.988 2.372 1.00 0.00 H ATOM 1646 N TRP A 131 2.818 18.049 1.653 1.00 29.34 N ATOM 1647 CA TRP A 131 4.216 18.396 1.886 1.00 28.34 C ATOM 1648 C TRP A 131 4.975 17.942 0.635 1.00 28.66 C ATOM 1649 O TRP A 131 4.555 17.010 -0.064 1.00 27.61 O ATOM 1650 CB TRP A 131 4.796 17.682 3.116 1.00 29.51 C ATOM 1651 CG TRP A 131 4.300 18.170 4.450 1.00 32.87 C ATOM 1652 CD1 TRP A 131 3.508 17.484 5.328 1.00 34.01 C ATOM 1653 CD2 TRP A 131 4.598 19.428 5.082 1.00 35.07 C ATOM 1654 NE1 TRP A 131 3.298 18.229 6.464 1.00 34.36 N ATOM 1655 CE2 TRP A 131 3.954 19.423 6.344 1.00 35.22 C ATOM 1656 CE3 TRP A 131 5.348 20.555 4.706 1.00 35.51 C ATOM 1657 CZ2 TRP A 131 4.037 20.504 7.237 1.00 35.87 C ATOM 1658 CZ3 TRP A 131 5.430 21.637 5.598 1.00 37.42 C ATOM 1659 CH2 TRP A 131 4.777 21.599 6.849 1.00 37.24 C ATOM 1660 HA TRP A 131 4.307 19.466 2.074 1.00 0.00 H ATOM 1661 HB2 TRP A 131 4.551 16.623 3.035 1.00 0.00 H ATOM 1662 HB3 TRP A 131 5.879 17.806 3.096 1.00 0.00 H ATOM 1663 HE1 TRP A 131 2.731 17.932 7.284 1.00 0.00 H ATOM 1664 HD1 TRP A 131 3.101 16.488 5.152 1.00 0.00 H ATOM 1665 HZ2 TRP A 131 3.533 20.477 8.203 1.00 0.00 H ATOM 1666 HH2 TRP A 131 4.860 22.453 7.521 1.00 0.00 H ATOM 1667 HZ3 TRP A 131 6.007 22.519 5.320 1.00 0.00 H ATOM 1668 HE3 TRP A 131 5.856 20.589 3.742 1.00 0.00 H ATOM 1669 H TRP A 131 2.608 17.166 1.146 1.00 0.00 H ATOM 1670 N GLY A 132 6.088 18.598 0.342 1.00 28.06 N ATOM 1671 CA GLY A 132 6.848 18.228 -0.833 1.00 29.91 C ATOM 1672 C GLY A 132 7.941 19.235 -1.122 1.00 31.88 C ATOM 1673 O GLY A 132 8.363 19.986 -0.233 1.00 30.01 O ATOM 1674 HA3 GLY A 132 6.176 18.178 -1.690 1.00 0.00 H ATOM 1675 HA2 GLY A 132 7.300 17.250 -0.670 1.00 0.00 H ATOM 1676 H GLY A 132 6.414 19.374 0.953 1.00 0.00 H ATOM 1677 N PHE A 133 8.386 19.252 -2.375 1.00 30.58 N ATOM 1678 CA PHE A 133 9.454 20.138 -2.812 1.00 32.39 C ATOM 1679 C PHE A 133 8.966 21.149 -3.846 1.00 32.72 C ATOM 1680 O PHE A 133 8.535 20.774 -4.936 1.00 32.86 O ATOM 1681 CB PHE A 133 10.591 19.302 -3.409 1.00 30.05 C ATOM 1682 CG PHE A 133 11.108 18.243 -2.485 1.00 32.74 C ATOM 1683 CD1 PHE A 133 11.868 18.583 -1.370 1.00 31.73 C ATOM 1684 CD2 PHE A 133 10.826 16.899 -2.720 1.00 31.58 C ATOM 1685 CE1 PHE A 133 12.339 17.595 -0.501 1.00 35.52 C ATOM 1686 CE2 PHE A 133 11.291 15.905 -1.859 1.00 32.54 C ATOM 1687 CZ PHE A 133 12.047 16.252 -0.750 1.00 33.93 C ATOM 1688 HA PHE A 133 9.807 20.695 -1.944 1.00 0.00 H ATOM 1689 HB2 PHE A 133 10.225 18.820 -4.315 1.00 0.00 H ATOM 1690 HB3 PHE A 133 11.414 19.970 -3.662 1.00 0.00 H ATOM 1691 HD2 PHE A 133 10.233 16.620 -3.591 1.00 0.00 H ATOM 1692 HE2 PHE A 133 11.061 14.858 -2.058 1.00 0.00 H ATOM 1693 HZ PHE A 133 12.413 15.479 -0.074 1.00 0.00 H ATOM 1694 HE1 PHE A 133 12.933 17.872 0.370 1.00 0.00 H ATOM 1695 HD1 PHE A 133 12.098 19.630 -1.172 1.00 0.00 H ATOM 1696 H PHE A 133 7.955 18.608 -3.068 1.00 0.00 H ATOM 1697 N LYS A 134 9.046 22.431 -3.493 1.00 34.01 N ATOM 1698 CA LYS A 134 8.626 23.519 -4.373 1.00 32.49 C ATOM 1699 C LYS A 134 9.519 23.618 -5.613 1.00 31.38 C ATOM 1700 O LYS A 134 9.054 23.956 -6.707 1.00 30.30 O ATOM 1701 CB LYS A 134 8.646 24.843 -3.600 1.00 33.55 C ATOM 1702 CG LYS A 134 7.965 25.984 -4.335 1.00 37.69 C ATOM 1703 CD LYS A 134 7.605 27.151 -3.417 1.00 38.52 C ATOM 1704 CE LYS A 134 8.818 27.893 -2.892 1.00 38.34 C ATOM 1705 NZ LYS A 134 8.373 29.013 -1.987 1.00 38.23 N ATOM 1706 HA LYS A 134 7.612 23.308 -4.713 1.00 0.00 H ATOM 1707 HB2 LYS A 134 8.138 24.694 -2.647 1.00 0.00 H ATOM 1708 HB3 LYS A 134 9.684 25.121 -3.418 1.00 0.00 H ATOM 1709 HG2 LYS A 134 8.637 26.347 -5.113 1.00 0.00 H ATOM 1710 HG3 LYS A 134 7.051 25.607 -4.793 1.00 0.00 H ATOM 1711 HD2 LYS A 134 6.984 27.852 -3.975 1.00 0.00 H ATOM 1712 HD3 LYS A 134 7.041 26.764 -2.568 1.00 0.00 H ATOM 1713 HE2 LYS A 134 9.382 28.305 -3.729 1.00 0.00 H ATOM 1714 HE3 LYS A 134 9.451 27.204 -2.333 1.00 0.00 H ATOM 1715 HZ1 LYS A 134 7.770 29.670 -2.522 1.00 0.00 H ATOM 1716 HZ2 LYS A 134 7.836 28.619 -1.188 1.00 0.00 H ATOM 1717 HZ3 LYS A 134 9.207 29.520 -1.629 1.00 0.00 H ATOM 1718 H LYS A 134 9.423 22.667 -2.553 1.00 0.00 H ATOM 1719 N LYS A 135 10.802 23.323 -5.428 1.00 31.24 N ATOM 1720 CA LYS A 135 11.787 23.343 -6.507 1.00 32.96 C ATOM 1721 C LYS A 135 12.417 21.953 -6.589 1.00 31.00 C ATOM 1722 O LYS A 135 13.574 21.755 -6.225 1.00 31.76 O ATOM 1723 CB LYS A 135 12.878 24.380 -6.217 1.00 34.39 C ATOM 1724 CG LYS A 135 12.349 25.788 -6.054 1.00 38.76 C ATOM 1725 CD LYS A 135 13.465 26.756 -5.722 1.00 43.51 C ATOM 1726 CE LYS A 135 12.897 28.081 -5.236 1.00 48.48 C ATOM 1727 NZ LYS A 135 13.967 29.049 -4.864 1.00 51.81 N ATOM 1728 HA LYS A 135 11.303 23.608 -7.447 1.00 0.00 H ATOM 1729 HB2 LYS A 135 13.389 24.095 -5.297 1.00 0.00 H ATOM 1730 HB3 LYS A 135 13.589 24.372 -7.043 1.00 0.00 H ATOM 1731 HG2 LYS A 135 11.873 26.099 -6.984 1.00 0.00 H ATOM 1732 HG3 LYS A 135 11.615 25.801 -5.249 1.00 0.00 H ATOM 1733 HD2 LYS A 135 14.092 26.326 -4.941 1.00 0.00 H ATOM 1734 HD3 LYS A 135 14.067 26.929 -6.614 1.00 0.00 H ATOM 1735 HE2 LYS A 135 12.271 27.896 -4.363 1.00 0.00 H ATOM 1736 HE3 LYS A 135 12.290 28.516 -6.030 1.00 0.00 H ATOM 1737 HZ1 LYS A 135 14.547 28.646 -4.101 1.00 0.00 H ATOM 1738 HZ2 LYS A 135 14.565 29.238 -5.693 1.00 0.00 H ATOM 1739 HZ3 LYS A 135 13.532 29.936 -4.539 1.00 0.00 H ATOM 1740 H LYS A 135 11.119 23.066 -4.471 1.00 0.00 H ATOM 1741 N PHE A 136 11.639 20.991 -7.064 1.00 31.70 N ATOM 1742 CA PHE A 136 12.101 19.610 -7.178 1.00 30.27 C ATOM 1743 C PHE A 136 13.092 19.429 -8.327 1.00 30.38 C ATOM 1744 O PHE A 136 14.095 18.726 -8.191 1.00 27.20 O ATOM 1745 CB PHE A 136 10.893 18.687 -7.366 1.00 30.99 C ATOM 1746 CG PHE A 136 11.260 17.253 -7.623 1.00 28.27 C ATOM 1747 CD1 PHE A 136 11.988 16.532 -6.682 1.00 24.32 C ATOM 1748 CD2 PHE A 136 10.883 16.630 -8.808 1.00 28.54 C ATOM 1749 CE1 PHE A 136 12.339 15.202 -6.915 1.00 26.07 C ATOM 1750 CE2 PHE A 136 11.228 15.291 -9.059 1.00 29.10 C ATOM 1751 CZ PHE A 136 11.958 14.577 -8.108 1.00 25.50 C ATOM 1752 HA PHE A 136 12.627 19.351 -6.259 1.00 0.00 H ATOM 1753 HB2 PHE A 136 10.284 18.730 -6.463 1.00 0.00 H ATOM 1754 HB3 PHE A 136 10.311 19.050 -8.213 1.00 0.00 H ATOM 1755 HD2 PHE A 136 10.313 17.187 -9.551 1.00 0.00 H ATOM 1756 HE2 PHE A 136 10.927 14.813 -9.991 1.00 0.00 H ATOM 1757 HZ PHE A 136 12.230 13.538 -8.293 1.00 0.00 H ATOM 1758 HE1 PHE A 136 12.910 14.650 -6.168 1.00 0.00 H ATOM 1759 HD1 PHE A 136 12.288 17.012 -5.751 1.00 0.00 H ATOM 1760 H PHE A 136 10.671 21.226 -7.364 1.00 0.00 H ATOM 1761 N ILE A 137 12.803 20.061 -9.462 1.00 32.77 N ATOM 1762 CA ILE A 137 13.679 19.983 -10.625 1.00 34.93 C ATOM 1763 C ILE A 137 13.385 21.094 -11.633 1.00 34.42 C ATOM 1764 O ILE A 137 12.230 21.462 -11.862 1.00 32.65 O ATOM 1765 CB ILE A 137 13.553 18.618 -11.334 1.00 36.89 C ATOM 1766 CG1 ILE A 137 14.702 18.456 -12.330 1.00 38.39 C ATOM 1767 CG2 ILE A 137 12.203 18.511 -12.045 1.00 38.08 C ATOM 1768 CD1 ILE A 137 14.693 17.126 -13.070 1.00 41.43 C ATOM 1769 HA ILE A 137 14.696 20.104 -10.252 1.00 0.00 H ATOM 1770 HB ILE A 137 13.609 17.820 -10.594 1.00 0.00 H ATOM 1771 HG12 ILE A 137 14.636 19.258 -13.065 1.00 0.00 H ATOM 1772 HG13 ILE A 137 15.643 18.540 -11.786 1.00 0.00 H ATOM 1773 HD11 ILE A 137 14.771 16.311 -12.351 1.00 0.00 H ATOM 1774 HD12 ILE A 137 13.763 17.030 -13.630 1.00 0.00 H ATOM 1775 HD13 ILE A 137 15.538 17.088 -13.757 1.00 0.00 H ATOM 1776 HG21 ILE A 137 11.400 18.608 -11.314 1.00 0.00 H ATOM 1777 HG22 ILE A 137 12.120 19.306 -12.786 1.00 0.00 H ATOM 1778 HG23 ILE A 137 12.130 17.543 -12.540 1.00 0.00 H ATOM 1779 H ILE A 137 11.931 20.624 -9.521 1.00 0.00 H ATOM 1780 N ARG A 138 14.441 21.622 -12.238 1.00 36.23 N ATOM 1781 CA ARG A 138 14.292 22.690 -13.213 1.00 37.92 C ATOM 1782 C ARG A 138 13.681 22.225 -14.521 1.00 37.23 C ATOM 1783 O ARG A 138 14.067 21.185 -15.059 1.00 36.75 O ATOM 1784 CB ARG A 138 15.647 23.329 -13.501 1.00 41.84 C ATOM 1785 CG ARG A 138 16.327 23.869 -12.271 1.00 45.50 C ATOM 1786 CD ARG A 138 17.069 25.142 -12.595 1.00 51.67 C ATOM 1787 NE ARG A 138 18.061 24.939 -13.642 1.00 56.74 N ATOM 1788 CZ ARG A 138 19.027 25.807 -13.925 1.00 60.55 C ATOM 1789 NH1 ARG A 138 19.126 26.938 -13.234 1.00 62.71 N ATOM 1790 NH2 ARG A 138 19.902 25.541 -14.886 1.00 61.52 N ATOM 1791 HA ARG A 138 13.608 23.414 -12.770 1.00 0.00 H ATOM 1792 HB2 ARG A 138 16.295 22.578 -13.952 1.00 0.00 H ATOM 1793 HB3 ARG A 138 15.500 24.150 -14.203 1.00 0.00 H ATOM 1794 HG2 ARG A 138 15.577 24.075 -11.507 1.00 0.00 H ATOM 1795 HG3 ARG A 138 17.032 23.128 -11.896 1.00 0.00 H ATOM 1796 HD2 ARG A 138 17.573 25.496 -11.695 1.00 0.00 H ATOM 1797 HD3 ARG A 138 16.353 25.893 -12.928 1.00 0.00 H ATOM 1798 HE ARG A 138 18.011 24.063 -14.201 1.00 0.00 H ATOM 1799 HH12 ARG A 138 19.882 27.618 -13.455 1.00 0.00 H ATOM 1800 HH11 ARG A 138 18.448 27.143 -12.473 1.00 0.00 H ATOM 1801 HH22 ARG A 138 20.657 26.222 -15.105 1.00 0.00 H ATOM 1802 HH21 ARG A 138 19.833 24.651 -15.420 1.00 0.00 H ATOM 1803 H ARG A 138 15.391 21.266 -12.011 1.00 0.00 H ATOM 1804 N ARG A 139 12.735 23.010 -15.035 1.00 36.73 N ATOM 1805 CA ARG A 139 12.084 22.698 -16.297 1.00 36.19 C ATOM 1806 C ARG A 139 13.067 22.622 -17.455 1.00 34.98 C ATOM 1807 O ARG A 139 12.962 21.731 -18.287 1.00 33.74 O ATOM 1808 CB ARG A 139 11.018 23.738 -16.646 1.00 37.53 C ATOM 1809 CG ARG A 139 9.666 23.520 -15.978 1.00 41.96 C ATOM 1810 CD ARG A 139 8.590 24.428 -16.589 1.00 41.21 C ATOM 1811 NE ARG A 139 8.290 24.098 -17.982 1.00 40.20 N ATOM 1812 CZ ARG A 139 7.375 23.212 -18.373 1.00 40.91 C ATOM 1813 NH1 ARG A 139 6.650 22.548 -17.480 1.00 39.04 N ATOM 1814 NH2 ARG A 139 7.178 22.998 -19.668 1.00 42.49 N ATOM 1815 HA ARG A 139 11.624 21.720 -16.156 1.00 0.00 H ATOM 1816 HB2 ARG A 139 11.390 24.718 -16.347 1.00 0.00 H ATOM 1817 HB3 ARG A 139 10.869 23.722 -17.726 1.00 0.00 H ATOM 1818 HG2 ARG A 139 9.369 22.479 -16.108 1.00 0.00 H ATOM 1819 HG3 ARG A 139 9.755 23.741 -14.914 1.00 0.00 H ATOM 1820 HD2 ARG A 139 8.938 25.460 -16.543 1.00 0.00 H ATOM 1821 HD3 ARG A 139 7.676 24.328 -16.003 1.00 0.00 H ATOM 1822 HE ARG A 139 8.830 24.591 -18.721 1.00 0.00 H ATOM 1823 HH12 ARG A 139 5.939 21.859 -17.797 1.00 0.00 H ATOM 1824 HH11 ARG A 139 6.794 22.717 -16.464 1.00 0.00 H ATOM 1825 HH22 ARG A 139 6.465 22.307 -19.978 1.00 0.00 H ATOM 1826 HH21 ARG A 139 7.737 23.521 -20.372 1.00 0.00 H ATOM 1827 H ARG A 139 12.455 23.869 -14.520 1.00 0.00 H ATOM 1828 N ASP A 140 14.020 23.544 -17.532 1.00 35.87 N ATOM 1829 CA ASP A 140 14.947 23.491 -18.661 1.00 37.94 C ATOM 1830 C ASP A 140 15.805 22.246 -18.650 1.00 36.82 C ATOM 1831 O ASP A 140 16.175 21.728 -19.708 1.00 36.49 O ATOM 1832 CB ASP A 140 15.838 24.742 -18.744 1.00 40.58 C ATOM 1833 CG ASP A 140 16.411 25.160 -17.412 1.00 43.49 C ATOM 1834 OD1 ASP A 140 16.952 24.305 -16.678 1.00 43.51 O ATOM 1835 OD2 ASP A 140 16.331 26.372 -17.109 1.00 47.32 O ATOM 1836 HA ASP A 140 14.318 23.459 -19.551 1.00 0.00 H ATOM 1837 HB2 ASP A 140 16.663 24.534 -19.425 1.00 0.00 H ATOM 1838 HB3 ASP A 140 15.242 25.565 -19.138 1.00 0.00 H ATOM 1839 H ASP A 140 14.105 24.285 -16.807 1.00 0.00 H ATOM 1840 N PHE A 141 16.111 21.756 -17.456 1.00 35.30 N ATOM 1841 CA PHE A 141 16.914 20.554 -17.338 1.00 35.73 C ATOM 1842 C PHE A 141 16.104 19.356 -17.816 1.00 34.11 C ATOM 1843 O PHE A 141 16.598 18.484 -18.523 1.00 33.44 O ATOM 1844 CB PHE A 141 17.342 20.342 -15.886 1.00 34.49 C ATOM 1845 CG PHE A 141 18.176 19.122 -15.690 1.00 35.87 C ATOM 1846 CD1 PHE A 141 19.437 19.031 -16.271 1.00 36.02 C ATOM 1847 CD2 PHE A 141 17.691 18.042 -14.958 1.00 35.95 C ATOM 1848 CE1 PHE A 141 20.203 17.880 -16.128 1.00 36.63 C ATOM 1849 CE2 PHE A 141 18.447 16.888 -14.809 1.00 35.34 C ATOM 1850 CZ PHE A 141 19.703 16.805 -15.393 1.00 35.88 C ATOM 1851 HA PHE A 141 17.807 20.661 -17.953 1.00 0.00 H ATOM 1852 HB2 PHE A 141 17.917 21.210 -15.564 1.00 0.00 H ATOM 1853 HB3 PHE A 141 16.447 20.252 -15.271 1.00 0.00 H ATOM 1854 HD2 PHE A 141 16.706 18.103 -14.496 1.00 0.00 H ATOM 1855 HE2 PHE A 141 18.055 16.049 -14.235 1.00 0.00 H ATOM 1856 HZ PHE A 141 20.299 15.900 -15.277 1.00 0.00 H ATOM 1857 HE1 PHE A 141 21.189 17.818 -16.588 1.00 0.00 H ATOM 1858 HD1 PHE A 141 19.828 19.871 -16.844 1.00 0.00 H ATOM 1859 H PHE A 141 15.773 22.237 -16.598 1.00 0.00 H ATOM 1860 N LEU A 142 14.845 19.317 -17.417 1.00 36.60 N ATOM 1861 CA LEU A 142 13.974 18.227 -17.819 1.00 37.78 C ATOM 1862 C LEU A 142 13.837 18.219 -19.354 1.00 38.33 C ATOM 1863 O LEU A 142 13.900 17.159 -19.995 1.00 37.22 O ATOM 1864 CB LEU A 142 12.619 18.408 -17.146 1.00 39.53 C ATOM 1865 CG LEU A 142 11.648 17.243 -17.155 1.00 39.77 C ATOM 1866 CD1 LEU A 142 12.332 15.982 -16.641 1.00 40.56 C ATOM 1867 CD2 LEU A 142 10.462 17.605 -16.285 1.00 40.71 C ATOM 1868 HA LEU A 142 14.393 17.269 -17.511 1.00 0.00 H ATOM 1869 HB2 LEU A 142 12.808 18.662 -16.103 1.00 0.00 H ATOM 1870 HB3 LEU A 142 12.123 19.245 -17.638 1.00 0.00 H ATOM 1871 HG LEU A 142 11.309 17.044 -18.172 1.00 0.00 H ATOM 1872 HD21 LEU A 142 10.804 17.799 -15.269 1.00 0.00 H ATOM 1873 HD22 LEU A 142 9.980 18.497 -16.684 1.00 0.00 H ATOM 1874 HD23 LEU A 142 9.752 16.778 -16.279 1.00 0.00 H ATOM 1875 HD11 LEU A 142 13.181 15.744 -17.282 1.00 0.00 H ATOM 1876 HD12 LEU A 142 12.680 16.149 -15.622 1.00 0.00 H ATOM 1877 HD13 LEU A 142 11.623 15.155 -16.653 1.00 0.00 H ATOM 1878 H LEU A 142 14.474 20.075 -16.809 1.00 0.00 H ATOM 1879 N LEU A 143 13.668 19.402 -19.943 1.00 36.48 N ATOM 1880 CA LEU A 143 13.545 19.509 -21.396 1.00 37.01 C ATOM 1881 C LEU A 143 14.851 19.181 -22.128 1.00 36.83 C ATOM 1882 O LEU A 143 14.844 18.482 -23.147 1.00 34.48 O ATOM 1883 CB LEU A 143 13.084 20.914 -21.800 1.00 37.39 C ATOM 1884 CG LEU A 143 11.587 21.230 -21.884 1.00 38.56 C ATOM 1885 CD1 LEU A 143 10.779 19.931 -21.888 1.00 37.95 C ATOM 1886 CD2 LEU A 143 11.186 22.134 -20.731 1.00 38.24 C ATOM 1887 HA LEU A 143 12.800 18.771 -21.692 1.00 0.00 H ATOM 1888 HB2 LEU A 143 13.513 21.607 -21.077 1.00 0.00 H ATOM 1889 HB3 LEU A 143 13.505 21.113 -22.786 1.00 0.00 H ATOM 1890 HG LEU A 143 11.375 21.758 -22.814 1.00 0.00 H ATOM 1891 HD21 LEU A 143 11.396 21.632 -19.787 1.00 0.00 H ATOM 1892 HD22 LEU A 143 11.754 23.063 -20.784 1.00 0.00 H ATOM 1893 HD23 LEU A 143 10.121 22.354 -20.797 1.00 0.00 H ATOM 1894 HD11 LEU A 143 11.068 19.327 -22.748 1.00 0.00 H ATOM 1895 HD12 LEU A 143 10.979 19.377 -20.971 1.00 0.00 H ATOM 1896 HD13 LEU A 143 9.716 20.166 -21.948 1.00 0.00 H ATOM 1897 H LEU A 143 13.623 20.262 -19.360 1.00 0.00 H ATOM 1898 N ASP A 144 15.972 19.682 -21.624 1.00 36.00 N ATOM 1899 CA ASP A 144 17.244 19.401 -22.282 1.00 36.96 C ATOM 1900 C ASP A 144 17.546 17.917 -22.330 1.00 37.44 C ATOM 1901 O ASP A 144 18.068 17.420 -23.335 1.00 35.67 O ATOM 1902 CB ASP A 144 18.383 20.156 -21.602 1.00 37.08 C ATOM 1903 CG ASP A 144 18.352 21.633 -21.920 1.00 39.59 C ATOM 1904 OD1 ASP A 144 17.957 21.967 -23.056 1.00 37.73 O ATOM 1905 OD2 ASP A 144 18.724 22.459 -21.059 1.00 40.94 O ATOM 1906 HA ASP A 144 17.156 19.749 -23.311 1.00 0.00 H ATOM 1907 HB2 ASP A 144 18.297 20.026 -20.523 1.00 0.00 H ATOM 1908 HB3 ASP A 144 19.332 19.742 -21.942 1.00 0.00 H ATOM 1909 H ASP A 144 15.944 20.270 -20.767 1.00 0.00 H ATOM 1910 N GLU A 145 17.196 17.207 -21.258 1.00 38.07 N ATOM 1911 CA GLU A 145 17.433 15.764 -21.178 1.00 39.89 C ATOM 1912 C GLU A 145 16.187 14.965 -21.549 1.00 40.53 C ATOM 1913 O GLU A 145 16.051 13.816 -21.123 1.00 39.90 O ATOM 1914 CB GLU A 145 17.849 15.349 -19.756 1.00 41.60 C ATOM 1915 CG GLU A 145 19.094 16.012 -19.192 1.00 41.79 C ATOM 1916 CD GLU A 145 20.315 15.775 -20.045 1.00 45.53 C ATOM 1917 OE1 GLU A 145 20.429 14.679 -20.638 1.00 44.68 O ATOM 1918 OE2 GLU A 145 21.168 16.686 -20.113 1.00 48.07 O ATOM 1919 HA GLU A 145 18.233 15.547 -21.886 1.00 0.00 H ATOM 1920 HB2 GLU A 145 17.019 15.579 -19.088 1.00 0.00 H ATOM 1921 HB3 GLU A 145 18.021 14.273 -19.762 1.00 0.00 H ATOM 1922 HG2 GLU A 145 18.918 17.086 -19.125 1.00 0.00 H ATOM 1923 HG3 GLU A 145 19.281 15.613 -18.195 1.00 0.00 H ATOM 1924 H GLU A 145 16.742 17.691 -20.457 1.00 0.00 H ATOM 1925 N ALA A 146 15.284 15.562 -22.331 1.00 41.06 N ATOM 1926 CA ALA A 146 14.036 14.892 -22.723 1.00 40.08 C ATOM 1927 C ALA A 146 14.230 13.450 -23.209 1.00 40.94 C ATOM 1928 O ALA A 146 13.439 12.569 -22.878 1.00 38.12 O ATOM 1929 CB ALA A 146 13.303 15.714 -23.791 1.00 38.24 C ATOM 1930 HA ALA A 146 13.432 14.829 -21.818 1.00 0.00 H ATOM 1931 HB1 ALA A 146 13.068 16.700 -23.391 1.00 0.00 H ATOM 1932 HB2 ALA A 146 13.942 15.820 -24.668 1.00 0.00 H ATOM 1933 HB3 ALA A 146 12.381 15.204 -24.071 1.00 0.00 H ATOM 1934 H ALA A 146 15.469 16.527 -22.672 1.00 0.00 H ATOM 1935 N ASN A 147 15.280 13.206 -23.986 1.00 42.55 N ATOM 1936 CA ASN A 147 15.527 11.857 -24.478 1.00 43.54 C ATOM 1937 C ASN A 147 15.586 10.873 -23.308 1.00 43.21 C ATOM 1938 O ASN A 147 14.936 9.823 -23.336 1.00 43.65 O ATOM 1939 CB ASN A 147 16.828 11.807 -25.291 1.00 45.58 C ATOM 1940 CG ASN A 147 16.743 12.619 -26.584 1.00 49.37 C ATOM 1941 OD1 ASN A 147 15.665 12.772 -27.164 1.00 51.25 O ATOM 1942 ND2 ASN A 147 17.886 13.121 -27.052 1.00 49.23 N ATOM 1943 HA ASN A 147 14.706 11.570 -25.135 1.00 0.00 H ATOM 1944 HB2 ASN A 147 17.638 12.206 -24.680 1.00 0.00 H ATOM 1945 HB3 ASN A 147 17.043 10.769 -25.544 1.00 0.00 H ATOM 1946 HD22 ASN A 147 18.773 12.968 -26.531 1.00 0.00 H ATOM 1947 HD21 ASN A 147 17.891 13.665 -27.938 1.00 0.00 H ATOM 1948 H ASN A 147 15.926 13.979 -24.243 1.00 0.00 H ATOM 1949 N GLY A 148 16.335 11.233 -22.269 1.00 41.53 N ATOM 1950 CA GLY A 148 16.469 10.370 -21.107 1.00 42.12 C ATOM 1951 C GLY A 148 15.400 10.490 -20.027 1.00 42.52 C ATOM 1952 O GLY A 148 14.943 9.477 -19.496 1.00 41.61 O ATOM 1953 HA3 GLY A 148 17.431 10.590 -20.643 1.00 0.00 H ATOM 1954 HA2 GLY A 148 16.465 9.339 -21.461 1.00 0.00 H ATOM 1955 H GLY A 148 16.832 12.146 -22.288 1.00 0.00 H ATOM 1956 N LEU A 149 14.986 11.713 -19.706 1.00 40.51 N ATOM 1957 CA LEU A 149 13.985 11.923 -18.658 1.00 41.25 C ATOM 1958 C LEU A 149 12.523 11.991 -19.104 1.00 41.76 C ATOM 1959 O LEU A 149 11.616 11.970 -18.271 1.00 41.17 O ATOM 1960 CB LEU A 149 14.332 13.180 -17.872 1.00 39.72 C ATOM 1961 CG LEU A 149 15.742 13.112 -17.289 1.00 40.83 C ATOM 1962 CD1 LEU A 149 16.067 14.420 -16.596 1.00 39.92 C ATOM 1963 CD2 LEU A 149 15.844 11.936 -16.319 1.00 40.67 C ATOM 1964 HA LEU A 149 14.040 11.021 -18.049 1.00 0.00 H ATOM 1965 HB2 LEU A 149 14.265 14.042 -18.536 1.00 0.00 H ATOM 1966 HB3 LEU A 149 13.618 13.295 -17.057 1.00 0.00 H ATOM 1967 HG LEU A 149 16.465 12.957 -18.089 1.00 0.00 H ATOM 1968 HD21 LEU A 149 15.125 12.070 -15.511 1.00 0.00 H ATOM 1969 HD22 LEU A 149 15.627 11.009 -16.850 1.00 0.00 H ATOM 1970 HD23 LEU A 149 16.852 11.893 -15.907 1.00 0.00 H ATOM 1971 HD11 LEU A 149 16.011 15.236 -17.317 1.00 0.00 H ATOM 1972 HD12 LEU A 149 15.350 14.593 -15.794 1.00 0.00 H ATOM 1973 HD13 LEU A 149 17.074 14.369 -16.181 1.00 0.00 H ATOM 1974 H LEU A 149 15.380 12.534 -20.208 1.00 0.00 H ATOM 1975 N LEU A 150 12.292 12.066 -20.411 1.00 42.52 N ATOM 1976 CA LEU A 150 10.932 12.132 -20.930 1.00 42.07 C ATOM 1977 C LEU A 150 10.768 11.204 -22.121 1.00 42.48 C ATOM 1978 O LEU A 150 10.381 11.642 -23.201 1.00 43.70 O ATOM 1979 CB LEU A 150 10.585 13.568 -21.350 1.00 40.53 C ATOM 1980 CG LEU A 150 10.650 14.691 -20.309 1.00 39.30 C ATOM 1981 CD1 LEU A 150 10.382 16.019 -20.985 1.00 39.44 C ATOM 1982 CD2 LEU A 150 9.635 14.450 -19.190 1.00 37.82 C ATOM 1983 HA LEU A 150 10.254 11.817 -20.137 1.00 0.00 H ATOM 1984 HB2 LEU A 150 11.270 13.839 -22.153 1.00 0.00 H ATOM 1985 HB3 LEU A 150 9.565 13.549 -21.735 1.00 0.00 H ATOM 1986 HG LEU A 150 11.645 14.706 -19.865 1.00 0.00 H ATOM 1987 HD21 LEU A 150 8.631 14.418 -19.613 1.00 0.00 H ATOM 1988 HD22 LEU A 150 9.855 13.501 -18.700 1.00 0.00 H ATOM 1989 HD23 LEU A 150 9.699 15.259 -18.463 1.00 0.00 H ATOM 1990 HD11 LEU A 150 11.134 16.192 -21.755 1.00 0.00 H ATOM 1991 HD12 LEU A 150 9.392 16.000 -21.440 1.00 0.00 H ATOM 1992 HD13 LEU A 150 10.428 16.818 -20.245 1.00 0.00 H ATOM 1993 H LEU A 150 13.094 12.078 -21.073 1.00 0.00 H ATOM 1994 N PRO A 151 11.067 9.903 -21.943 1.00 43.97 N ATOM 1995 CA PRO A 151 10.932 8.946 -23.048 1.00 44.52 C ATOM 1996 C PRO A 151 9.505 8.959 -23.580 1.00 45.05 C ATOM 1997 O PRO A 151 8.557 8.820 -22.806 1.00 45.94 O ATOM 1998 CB PRO A 151 11.312 7.614 -22.402 1.00 44.53 C ATOM 1999 CG PRO A 151 10.945 7.817 -20.955 1.00 45.25 C ATOM 2000 CD PRO A 151 11.444 9.212 -20.696 1.00 44.16 C ATOM 2001 HA PRO A 151 11.557 9.167 -23.913 1.00 0.00 H ATOM 2002 HD3 PRO A 151 10.951 9.656 -19.831 1.00 0.00 H ATOM 2003 HD2 PRO A 151 12.523 9.226 -20.545 1.00 0.00 H ATOM 2004 HG3 PRO A 151 11.446 7.092 -20.314 1.00 0.00 H ATOM 2005 HG2 PRO A 151 9.867 7.748 -20.806 1.00 0.00 H ATOM 2006 HB2 PRO A 151 10.745 6.792 -22.838 1.00 0.00 H ATOM 2007 HB3 PRO A 151 12.378 7.416 -22.511 1.00 0.00 H ATOM 2008 N ASP A 152 9.359 9.119 -24.895 1.00 44.48 N ATOM 2009 CA ASP A 152 8.041 9.198 -25.530 1.00 44.38 C ATOM 2010 C ASP A 152 7.271 10.367 -24.937 1.00 42.86 C ATOM 2011 O ASP A 152 6.039 10.389 -24.958 1.00 42.09 O ATOM 2012 CB ASP A 152 7.227 7.921 -25.316 1.00 47.72 C ATOM 2013 CG ASP A 152 7.677 6.787 -26.205 1.00 51.53 C ATOM 2014 OD1 ASP A 152 7.911 7.033 -27.410 1.00 52.07 O ATOM 2015 OD2 ASP A 152 7.785 5.644 -25.703 1.00 54.66 O ATOM 2016 HA ASP A 152 8.196 9.331 -26.601 1.00 0.00 H ATOM 2017 HB2 ASP A 152 7.331 7.611 -24.276 1.00 0.00 H ATOM 2018 HB3 ASP A 152 6.179 8.135 -25.527 1.00 0.00 H ATOM 2019 H ASP A 152 10.209 9.190 -25.490 1.00 0.00 H ATOM 2020 N ASP A 153 8.009 11.327 -24.393 1.00 39.91 N ATOM 2021 CA ASP A 153 7.413 12.505 -23.783 1.00 40.20 C ATOM 2022 C ASP A 153 6.549 12.123 -22.573 1.00 40.05 C ATOM 2023 O ASP A 153 5.506 12.719 -22.310 1.00 39.69 O ATOM 2024 CB ASP A 153 6.591 13.259 -24.830 1.00 39.90 C ATOM 2025 CG ASP A 153 6.178 14.638 -24.364 1.00 40.06 C ATOM 2026 OD1 ASP A 153 7.005 15.346 -23.743 1.00 41.66 O ATOM 2027 OD2 ASP A 153 5.027 15.023 -24.631 1.00 40.83 O ATOM 2028 HA ASP A 153 8.208 13.157 -23.420 1.00 0.00 H ATOM 2029 HB2 ASP A 153 7.188 13.361 -25.736 1.00 0.00 H ATOM 2030 HB3 ASP A 153 5.693 12.682 -25.051 1.00 0.00 H ATOM 2031 H ASP A 153 9.045 11.234 -24.403 1.00 0.00 H ATOM 2032 N LYS A 154 7.008 11.120 -21.834 1.00 39.28 N ATOM 2033 CA LYS A 154 6.307 10.655 -20.649 1.00 37.47 C ATOM 2034 C LYS A 154 7.175 10.896 -19.427 1.00 35.12 C ATOM 2035 O LYS A 154 8.354 10.513 -19.411 1.00 33.24 O ATOM 2036 CB LYS A 154 6.009 9.158 -20.762 1.00 40.09 C ATOM 2037 CG LYS A 154 5.061 8.807 -21.881 1.00 43.77 C ATOM 2038 CD LYS A 154 4.824 7.309 -21.955 1.00 47.40 C ATOM 2039 CE LYS A 154 3.866 6.962 -23.093 1.00 49.41 C ATOM 2040 NZ LYS A 154 4.395 7.383 -24.427 1.00 50.48 N ATOM 2041 HA LYS A 154 5.368 11.201 -20.557 1.00 0.00 H ATOM 2042 HB2 LYS A 154 6.949 8.632 -20.930 1.00 0.00 H ATOM 2043 HB3 LYS A 154 5.570 8.823 -19.822 1.00 0.00 H ATOM 2044 HG2 LYS A 154 4.109 9.309 -21.711 1.00 0.00 H ATOM 2045 HG3 LYS A 154 5.485 9.147 -22.826 1.00 0.00 H ATOM 2046 HD2 LYS A 154 5.776 6.805 -22.124 1.00 0.00 H ATOM 2047 HD3 LYS A 154 4.396 6.968 -21.012 1.00 0.00 H ATOM 2048 HE2 LYS A 154 2.915 7.466 -22.917 1.00 0.00 H ATOM 2049 HE3 LYS A 154 3.708 5.884 -23.102 1.00 0.00 H ATOM 2050 HZ1 LYS A 154 4.542 8.413 -24.431 1.00 0.00 H ATOM 2051 HZ2 LYS A 154 5.299 6.902 -24.608 1.00 0.00 H ATOM 2052 HZ3 LYS A 154 3.710 7.126 -25.167 1.00 0.00 H ATOM 2053 H LYS A 154 7.895 10.653 -22.111 1.00 0.00 H ATOM 2054 N LEU A 155 6.600 11.538 -18.415 1.00 31.51 N ATOM 2055 CA LEU A 155 7.326 11.802 -17.176 1.00 32.10 C ATOM 2056 C LEU A 155 6.860 10.815 -16.116 1.00 30.13 C ATOM 2057 O LEU A 155 5.698 10.821 -15.713 1.00 28.55 O ATOM 2058 CB LEU A 155 7.074 13.230 -16.671 1.00 32.01 C ATOM 2059 CG LEU A 155 7.628 13.524 -15.264 1.00 31.88 C ATOM 2060 CD1 LEU A 155 9.140 13.364 -15.255 1.00 33.17 C ATOM 2061 CD2 LEU A 155 7.254 14.925 -14.840 1.00 34.84 C ATOM 2062 HA LEU A 155 8.393 11.691 -17.371 1.00 0.00 H ATOM 2063 HB2 LEU A 155 7.539 13.925 -17.371 1.00 0.00 H ATOM 2064 HB3 LEU A 155 5.997 13.399 -16.654 1.00 0.00 H ATOM 2065 HG LEU A 155 7.193 12.815 -14.560 1.00 0.00 H ATOM 2066 HD21 LEU A 155 7.673 15.641 -15.547 1.00 0.00 H ATOM 2067 HD22 LEU A 155 6.168 15.021 -14.825 1.00 0.00 H ATOM 2068 HD23 LEU A 155 7.652 15.120 -13.844 1.00 0.00 H ATOM 2069 HD11 LEU A 155 9.398 12.343 -15.536 1.00 0.00 H ATOM 2070 HD12 LEU A 155 9.582 14.061 -15.967 1.00 0.00 H ATOM 2071 HD13 LEU A 155 9.520 13.574 -14.255 1.00 0.00 H ATOM 2072 H LEU A 155 5.615 11.858 -18.507 1.00 0.00 H ATOM 2073 N THR A 156 7.772 9.972 -15.659 1.00 30.58 N ATOM 2074 CA THR A 156 7.433 8.990 -14.636 1.00 30.30 C ATOM 2075 C THR A 156 8.001 9.388 -13.284 1.00 28.57 C ATOM 2076 O THR A 156 9.213 9.466 -13.104 1.00 30.30 O ATOM 2077 CB THR A 156 7.947 7.584 -15.017 1.00 30.35 C ATOM 2078 OG1 THR A 156 7.233 7.123 -16.169 1.00 30.36 O ATOM 2079 CG2 THR A 156 7.730 6.604 -13.874 1.00 26.97 C ATOM 2080 HA THR A 156 6.346 8.961 -14.568 1.00 0.00 H ATOM 2081 HB THR A 156 9.014 7.645 -15.229 1.00 0.00 H ATOM 2082 HG1 THR A 156 7.383 7.749 -16.921 1.00 0.00 H ATOM 2083 HG23 THR A 156 8.271 6.949 -12.993 1.00 0.00 H ATOM 2084 HG21 THR A 156 6.666 6.542 -13.647 1.00 0.00 H ATOM 2085 HG22 THR A 156 8.098 5.620 -14.166 1.00 0.00 H ATOM 2086 H THR A 156 8.741 10.010 -16.034 1.00 0.00 H ATOM 2087 N LEU A 157 7.115 9.634 -12.328 1.00 26.17 N ATOM 2088 CA LEU A 157 7.548 10.023 -11.005 1.00 25.95 C ATOM 2089 C LEU A 157 7.400 8.870 -10.028 1.00 26.71 C ATOM 2090 O LEU A 157 6.476 8.056 -10.127 1.00 26.92 O ATOM 2091 CB LEU A 157 6.747 11.221 -10.523 1.00 26.76 C ATOM 2092 CG LEU A 157 6.798 12.432 -11.458 1.00 26.01 C ATOM 2093 CD1 LEU A 157 5.650 13.357 -11.132 1.00 27.74 C ATOM 2094 CD2 LEU A 157 8.126 13.144 -11.308 1.00 25.72 C ATOM 2095 HA LEU A 157 8.602 10.297 -11.057 1.00 0.00 H ATOM 2096 HB2 LEU A 157 5.706 10.915 -10.417 1.00 0.00 H ATOM 2097 HB3 LEU A 157 7.137 11.523 -9.551 1.00 0.00 H ATOM 2098 HG LEU A 157 6.705 12.106 -12.494 1.00 0.00 H ATOM 2099 HD21 LEU A 157 8.242 13.480 -10.278 1.00 0.00 H ATOM 2100 HD22 LEU A 157 8.935 12.459 -11.562 1.00 0.00 H ATOM 2101 HD23 LEU A 157 8.153 14.004 -11.977 1.00 0.00 H ATOM 2102 HD11 LEU A 157 4.708 12.827 -11.269 1.00 0.00 H ATOM 2103 HD12 LEU A 157 5.735 13.688 -10.097 1.00 0.00 H ATOM 2104 HD13 LEU A 157 5.682 14.221 -11.795 1.00 0.00 H ATOM 2105 H LEU A 157 6.099 9.546 -12.532 1.00 0.00 H ATOM 2106 N PHE A 158 8.319 8.828 -9.074 1.00 25.51 N ATOM 2107 CA PHE A 158 8.356 7.780 -8.069 1.00 29.07 C ATOM 2108 C PHE A 158 8.297 8.410 -6.677 1.00 28.92 C ATOM 2109 O PHE A 158 9.051 9.332 -6.372 1.00 29.80 O ATOM 2110 CB PHE A 158 9.654 6.988 -8.256 1.00 29.76 C ATOM 2111 CG PHE A 158 9.628 5.624 -7.653 1.00 35.19 C ATOM 2112 CD1 PHE A 158 8.568 4.755 -7.912 1.00 36.76 C ATOM 2113 CD2 PHE A 158 10.679 5.187 -6.845 1.00 36.83 C ATOM 2114 CE1 PHE A 158 8.556 3.465 -7.372 1.00 39.31 C ATOM 2115 CE2 PHE A 158 10.676 3.899 -6.300 1.00 38.70 C ATOM 2116 CZ PHE A 158 9.614 3.035 -6.564 1.00 38.02 C ATOM 2117 HA PHE A 158 7.504 7.109 -8.174 1.00 0.00 H ATOM 2118 HB2 PHE A 158 9.842 6.886 -9.325 1.00 0.00 H ATOM 2119 HB3 PHE A 158 10.467 7.550 -7.797 1.00 0.00 H ATOM 2120 HD2 PHE A 158 11.512 5.858 -6.636 1.00 0.00 H ATOM 2121 HE2 PHE A 158 11.503 3.571 -5.670 1.00 0.00 H ATOM 2122 HZ PHE A 158 9.608 2.030 -6.143 1.00 0.00 H ATOM 2123 HE1 PHE A 158 7.722 2.795 -7.581 1.00 0.00 H ATOM 2124 HD1 PHE A 158 7.741 5.085 -8.541 1.00 0.00 H ATOM 2125 H PHE A 158 9.042 9.575 -9.044 1.00 0.00 H ATOM 2126 N CYS A 159 7.386 7.937 -5.839 1.00 27.83 N ATOM 2127 CA CYS A 159 7.268 8.478 -4.487 1.00 27.59 C ATOM 2128 C CYS A 159 7.272 7.339 -3.486 1.00 27.62 C ATOM 2129 O CYS A 159 6.342 6.523 -3.471 1.00 25.86 O ATOM 2130 CB CYS A 159 5.968 9.271 -4.338 1.00 27.54 C ATOM 2131 SG CYS A 159 5.633 9.882 -2.657 1.00 32.33 S ATOM 2132 HA CYS A 159 8.112 9.142 -4.302 1.00 0.00 H ATOM 2133 HB2 CYS A 159 5.141 8.626 -4.635 1.00 0.00 H ATOM 2134 HB3 CYS A 159 6.016 10.130 -5.008 1.00 0.00 H ATOM 2135 HG CYS A 159 4.441 10.577 -2.651 1.00 0.00 H ATOM 2136 H CYS A 159 6.750 7.174 -6.146 1.00 0.00 H ATOM 2137 N GLU A 160 8.318 7.277 -2.668 1.00 26.73 N ATOM 2138 CA GLU A 160 8.430 6.239 -1.647 1.00 29.38 C ATOM 2139 C GLU A 160 8.175 6.887 -0.295 1.00 29.01 C ATOM 2140 O GLU A 160 8.878 7.817 0.104 1.00 25.53 O ATOM 2141 CB GLU A 160 9.816 5.586 -1.693 1.00 30.13 C ATOM 2142 CG GLU A 160 10.197 5.112 -3.097 1.00 36.32 C ATOM 2143 CD GLU A 160 11.244 4.006 -3.103 1.00 38.07 C ATOM 2144 OE1 GLU A 160 10.858 2.815 -2.993 1.00 37.71 O ATOM 2145 OE2 GLU A 160 12.448 4.331 -3.208 1.00 35.91 O ATOM 2146 HA GLU A 160 7.698 5.451 -1.824 1.00 0.00 H ATOM 2147 HB2 GLU A 160 10.556 6.312 -1.357 1.00 0.00 H ATOM 2148 HB3 GLU A 160 9.820 4.728 -1.021 1.00 0.00 H ATOM 2149 HG2 GLU A 160 9.299 4.740 -3.591 1.00 0.00 H ATOM 2150 HG3 GLU A 160 10.590 5.963 -3.653 1.00 0.00 H ATOM 2151 H GLU A 160 9.075 7.985 -2.757 1.00 0.00 H ATOM 2152 N VAL A 161 7.157 6.372 0.394 1.00 28.80 N ATOM 2153 CA VAL A 161 6.702 6.879 1.691 1.00 28.42 C ATOM 2154 C VAL A 161 6.922 5.920 2.880 1.00 29.50 C ATOM 2155 O VAL A 161 6.814 4.691 2.753 1.00 27.63 O ATOM 2156 CB VAL A 161 5.202 7.218 1.584 1.00 26.85 C ATOM 2157 CG1 VAL A 161 4.684 7.830 2.867 1.00 27.99 C ATOM 2158 CG2 VAL A 161 4.986 8.148 0.408 1.00 28.72 C ATOM 2159 HA VAL A 161 7.312 7.756 1.907 1.00 0.00 H ATOM 2160 HB VAL A 161 4.640 6.298 1.422 1.00 0.00 H ATOM 2161 HG11 VAL A 161 4.823 7.125 3.686 1.00 0.00 H ATOM 2162 HG12 VAL A 161 5.233 8.747 3.078 1.00 0.00 H ATOM 2163 HG13 VAL A 161 3.624 8.057 2.758 1.00 0.00 H ATOM 2164 HG21 VAL A 161 5.559 9.063 0.560 1.00 0.00 H ATOM 2165 HG22 VAL A 161 5.318 7.658 -0.507 1.00 0.00 H ATOM 2166 HG23 VAL A 161 3.926 8.391 0.328 1.00 0.00 H ATOM 2167 H VAL A 161 6.654 5.559 -0.015 1.00 0.00 H ATOM 2168 N SER A 162 7.240 6.493 4.033 1.00 28.91 N ATOM 2169 CA SER A 162 7.463 5.714 5.243 1.00 29.70 C ATOM 2170 C SER A 162 6.542 6.270 6.310 1.00 28.17 C ATOM 2171 O SER A 162 6.780 7.357 6.845 1.00 26.89 O ATOM 2172 CB SER A 162 8.920 5.827 5.699 1.00 30.10 C ATOM 2173 OG SER A 162 9.797 5.506 4.632 1.00 36.58 O ATOM 2174 HA SER A 162 7.257 4.660 5.058 1.00 0.00 H ATOM 2175 HB2 SER A 162 9.093 5.138 6.526 1.00 0.00 H ATOM 2176 HB3 SER A 162 9.115 6.847 6.031 1.00 0.00 H ATOM 2177 HG SER A 162 9.644 6.132 3.881 1.00 0.00 H ATOM 2178 H SER A 162 7.333 7.528 4.074 1.00 0.00 H ATOM 2179 N VAL A 163 5.484 5.523 6.599 1.00 27.07 N ATOM 2180 CA VAL A 163 4.494 5.928 7.585 1.00 30.99 C ATOM 2181 C VAL A 163 4.918 5.473 8.967 1.00 34.05 C ATOM 2182 O VAL A 163 4.977 4.274 9.263 1.00 32.73 O ATOM 2183 CB VAL A 163 3.126 5.341 7.252 1.00 30.58 C ATOM 2184 CG1 VAL A 163 2.124 5.701 8.350 1.00 32.87 C ATOM 2185 CG2 VAL A 163 2.665 5.883 5.916 1.00 30.67 C ATOM 2186 HA VAL A 163 4.422 7.015 7.567 1.00 0.00 H ATOM 2187 HB VAL A 163 3.196 4.255 7.193 1.00 0.00 H ATOM 2188 HG11 VAL A 163 2.468 5.295 9.301 1.00 0.00 H ATOM 2189 HG12 VAL A 163 2.042 6.785 8.424 1.00 0.00 H ATOM 2190 HG13 VAL A 163 1.150 5.278 8.104 1.00 0.00 H ATOM 2191 HG21 VAL A 163 2.595 6.969 5.971 1.00 0.00 H ATOM 2192 HG22 VAL A 163 3.382 5.603 5.145 1.00 0.00 H ATOM 2193 HG23 VAL A 163 1.687 5.466 5.674 1.00 0.00 H ATOM 2194 H VAL A 163 5.358 4.617 6.104 1.00 0.00 H ATOM 2195 N VAL A 164 5.223 6.440 9.820 1.00 38.93 N ATOM 2196 CA VAL A 164 5.693 6.111 11.158 1.00 44.42 C ATOM 2197 C VAL A 164 4.644 6.256 12.242 1.00 47.89 C ATOM 2198 O VAL A 164 4.903 5.897 13.400 1.00 48.28 O ATOM 2199 CB VAL A 164 6.930 6.962 11.553 1.00 43.75 C ATOM 2200 CG1 VAL A 164 8.142 6.536 10.747 1.00 44.34 C ATOM 2201 CG2 VAL A 164 6.667 8.443 11.275 1.00 44.52 C ATOM 2202 HA VAL A 164 5.958 5.055 11.097 1.00 0.00 H ATOM 2203 HB VAL A 164 7.116 6.809 12.616 1.00 0.00 H ATOM 2204 HG11 VAL A 164 8.356 5.485 10.942 1.00 0.00 H ATOM 2205 HG12 VAL A 164 7.938 6.675 9.685 1.00 0.00 H ATOM 2206 HG13 VAL A 164 9.000 7.142 11.036 1.00 0.00 H ATOM 2207 HG21 VAL A 164 6.464 8.582 10.213 1.00 0.00 H ATOM 2208 HG22 VAL A 164 5.807 8.773 11.857 1.00 0.00 H ATOM 2209 HG23 VAL A 164 7.544 9.026 11.557 1.00 0.00 H ATOM 2210 H VAL A 164 5.127 7.435 9.533 1.00 0.00 H ATOM 2211 N GLN A 165 3.473 6.790 11.902 1.00 53.85 N ATOM 2212 CA GLN A 165 2.451 6.979 12.928 1.00 54.85 C ATOM 2213 C GLN A 165 1.156 7.222 12.194 1.00 55.15 C ATOM 2214 O GLN A 165 1.056 8.112 11.316 1.00 57.46 O ATOM 2215 CB GLN A 165 2.790 8.193 13.745 1.00 54.91 C ATOM 2216 CG GLN A 165 2.152 8.128 15.130 1.00 55.08 C ATOM 2217 CD GLN A 165 2.394 9.395 15.903 1.00 55.18 C ATOM 2218 OE1 GLN A 165 3.041 9.378 16.971 1.00 55.23 O ATOM 2219 NE2 GLN A 165 1.876 10.518 15.376 1.00 55.03 N ATOM 2220 HA GLN A 165 2.382 6.116 13.591 1.00 0.00 H ATOM 2221 HB2 GLN A 165 3.873 8.256 13.855 1.00 0.00 H ATOM 2222 HB3 GLN A 165 2.427 9.081 13.228 1.00 0.00 H ATOM 2223 HG2 GLN A 165 1.078 7.979 15.020 1.00 0.00 H ATOM 2224 HG3 GLN A 165 2.580 7.289 15.679 1.00 0.00 H ATOM 2225 HE22 GLN A 165 1.345 10.476 14.483 1.00 0.00 H ATOM 2226 HE21 GLN A 165 2.006 11.428 15.861 1.00 0.00 H ATOM 2227 H GLN A 165 3.288 7.069 10.917 1.00 0.00 H ATOM 2228 N ASP A 166 0.147 6.497 12.655 1.00 54.96 N ATOM 2229 CA ASP A 166 -1.180 6.538 12.092 1.00 55.33 C ATOM 2230 C ASP A 166 -2.309 7.294 12.771 1.00 55.69 C ATOM 2231 O ASP A 166 -3.450 6.801 12.592 1.00 60.96 O ATOM 2232 CB ASP A 166 -1.633 5.132 11.904 1.00 55.13 C ATOM 2233 CG ASP A 166 -1.340 4.646 10.540 1.00 55.04 C ATOM 2234 OD1 ASP A 166 -1.526 5.475 9.634 1.00 55.15 O ATOM 2235 OD2 ASP A 166 -0.932 3.470 10.390 1.00 55.04 O ATOM 2236 HA ASP A 166 -1.020 7.137 11.195 1.00 0.00 H ATOM 2237 OXT ASP A 166 -2.027 8.340 13.423 1.00 59.99 O ATOM 2238 HB2 ASP A 166 -1.120 4.495 12.625 1.00 0.00 H ATOM 2239 HB3 ASP A 166 -2.708 5.080 12.075 1.00 0.00 H ATOM 2240 H ASP A 166 0.321 5.867 13.464 1.00 0.00 H TER 2241 ASP A 166 HETATM 2242 O HOH 1 4.765 20.681 -19.512 1.00 43.54 O HETATM 2243 O HOH 2 2.099 24.895 -12.690 1.00 31.90 O HETATM 2244 O HOH 3 11.461 8.158 -4.777 1.00 19.04 O HETATM 2245 O HOH 4 15.390 16.564 -7.869 1.00 30.25 O HETATM 2246 O HOH 5 10.317 9.978 -16.279 1.00 32.97 O HETATM 2247 O HOH 6 17.102 2.844 -9.750 1.00 40.50 O HETATM 2248 O HOH 7 17.393 14.970 -0.484 1.00 31.30 O HETATM 2249 O HOH 8 2.016 18.459 16.464 1.00 51.72 O HETATM 2250 O HOH 9 -6.683 15.250 9.624 1.00 46.25 O HETATM 2251 O HOH 10 8.348 1.342 -0.185 1.00 27.22 O HETATM 2252 O HOH 11 -11.784 9.568 11.123 1.00 42.29 O HETATM 2253 O HOH 12 11.918 10.913 11.379 1.00 45.04 O HETATM 2254 O HOH 13 20.556 12.521 -9.874 1.00 33.15 O HETATM 2255 O HOH 14 18.785 11.433 1.875 1.00 41.93 O HETATM 2256 O HOH 15 3.796 20.540 11.383 1.00 36.73 O HETATM 2257 O HOH 16 1.529 19.580 10.353 1.00 43.26 O HETATM 2258 O HOH 17 17.507 18.054 -9.982 1.00 51.67 O HETATM 2259 O HOH 18 17.769 14.950 -24.008 1.00 51.14 O HETATM 2260 O HOH 19 8.499 8.051 -18.282 1.00 36.42 O HETATM 2261 O HOH 20 -3.137 20.860 -20.911 1.00 39.68 O HETATM 2262 O HOH 21 7.156 14.167 12.692 1.00 30.40 O HETATM 2263 O HOH 22 12.684 1.506 -9.249 1.00 43.03 O HETATM 2264 O HOH 23 5.877 18.373 10.342 1.00 34.10 O HETATM 2265 O HOH 24 14.436 25.999 -15.548 1.00 36.26 O HETATM 2266 O HOH 25 19.017 12.344 -18.805 1.00 42.72 O HETATM 2267 O HOH 26 -5.824 19.353 -18.558 1.00 37.02 O HETATM 2268 O HOH 27 -4.493 9.054 11.495 1.00 30.77 O HETATM 2269 O HOH 28 19.086 10.984 -7.178 1.00 38.33 O HETATM 2270 O HOH 29 -0.354 2.759 5.189 1.00 34.23 O HETATM 2271 O HOH 30 9.335 25.825 -14.238 1.00 50.74 O HETATM 2272 O HOH 31 -9.003 15.292 2.223 1.00 42.44 O HETATM 2273 O HOH 32 -0.984 -0.372 0.933 1.00 17.35 O HETATM 2274 O HOH 33 1.740 2.570 8.825 1.00 32.89 O HETATM 2275 O HOH 34 17.219 19.416 -8.151 1.00 34.75 O HETATM 2276 O HOH 35 10.575 7.085 2.264 1.00 41.32 O HETATM 2277 O HOH 36 12.535 18.505 -25.095 1.00 28.56 O HETATM 2278 O HOH 37 19.596 10.002 -15.749 1.00 41.39 O HETATM 2279 O HOH 38 13.257 6.535 -3.710 1.00 47.13 O HETATM 2280 O HOH 39 -4.470 18.137 -16.217 1.00 50.81 O HETATM 2281 O HOH 40 -5.601 11.676 16.935 1.00 32.57 O HETATM 2282 O HOH 41 8.143 3.370 8.490 1.00 54.22 O HETATM 2283 O HOH 42 13.859 9.084 -26.130 1.00 45.64 O HETATM 2284 O HOH 43 11.926 22.458 -3.265 1.00 50.38 O HETATM 2285 O HOH 44 11.835 4.077 0.032 1.00 61.95 O HETATM 2286 O HOH 45 16.154 27.647 -14.288 1.00 52.69 O HETATM 2287 O HOH 46 12.143 0.994 -0.433 1.00 27.28 O HETATM 2288 O HOH 47 19.453 13.292 -22.467 1.00 49.61 O HETATM 2289 O HOH 48 7.054 17.064 12.995 1.00 43.16 O HETATM 2290 O HOH 49 3.181 10.497 -23.870 1.00 44.81 O HETATM 2291 O HOH 50 -0.686 27.282 -7.091 1.00 58.64 O HETATM 2292 O HOH 51 20.136 21.385 -18.896 1.00 46.57 O HETATM 2293 O HOH 52 -5.550 18.328 -4.379 1.00 58.89 O HETATM 2294 O HOH 53 17.487 23.104 -9.187 1.00 51.81 O HETATM 2295 O HOH 54 -4.588 6.453 -11.820 1.00 41.65 O HETATM 2296 O HOH 55 19.215 23.048 -16.226 1.00 61.01 O HETATM 2297 O HOH 56 -6.214 20.680 5.843 1.00 45.55 O HETATM 2298 O HOH 57 4.243 18.226 -26.286 1.00 64.70 O HETATM 2299 O HOH 58 -1.332 9.566 -18.112 1.00 63.07 O HETATM 2300 O HOH 59 10.753 7.159 -17.538 1.00 41.17 O HETATM 2301 O HOH 60 -2.148 -0.031 7.964 1.00 36.61 O HETATM 2302 O HOH 61 12.381 29.416 -10.311 1.00 54.70 O HETATM 2303 O HOH 62 -4.447 21.222 -18.128 1.00 48.19 O HETATM 2304 O HOH 63 -3.784 6.107 -8.045 1.00 47.29 O HETATM 2305 O HOH 64 3.779 22.384 -21.758 1.00 62.10 O HETATM 2306 O HOH 65 2.199 26.648 -28.597 1.00 53.64 O HETATM 2307 O HOH 66 13.537 33.114 -12.792 1.00 49.32 O HETATM 2308 O HOH 67 18.774 18.398 6.277 1.00 51.01 O HETATM 2309 O HOH 68 8.890 35.159 -10.329 1.00 43.06 O HETATM 2310 O HOH 69 9.166 12.268 -27.154 1.00 50.11 O HETATM 2311 O HOH 70 -6.173 3.006 -3.668 1.00 42.68 O HETATM 2312 O HOH 71 -0.481 24.835 -25.774 1.00 65.52 O HETATM 2313 O HOH 72 -1.880 18.075 -17.712 1.00 51.71 O HETATM 2314 O HOH 73 -5.398 13.172 -13.189 1.00 55.60 O HETATM 2315 O HOH 74 -10.571 1.215 4.552 1.00 51.73 O HETATM 2316 O HOH 75 -0.133 6.226 14.936 1.00 40.22 O HETATM 2317 O HOH 76 1.723 3.738 13.084 1.00 40.16 O HETATM 2318 O HOH 77 5.671 24.710 -1.160 1.00 28.05 O HETATM 2319 O HOH 78 9.870 23.313 -0.958 1.00 32.13 O HETATM 2320 O HOH 79 15.059 24.759 4.479 1.00 60.71 O HETATM 2321 O HOH 80 0.617 30.584 3.156 1.00 49.92 O HETATM 2322 N PRO A 81 16.789 20.187 4.296 1.00 0.25 N HETATM 2323 CA PRO A 81 15.584 20.979 4.620 1.00 0.07 C HETATM 2324 C PRO A 81 14.741 21.351 3.398 1.00 0.23 C HETATM 2325 O PRO A 81 14.619 20.581 2.444 1.00 -0.39 O HETATM 2326 N PRO A 81 14.171 22.551 3.450 1.00 -0.26 N HETATM 2327 CA PRO A 81 13.313 23.096 2.405 1.00 0.14 C HETATM 2328 C PRO A 81 12.263 22.178 1.799 1.00 0.21 C HETATM 2329 O PRO A 81 12.238 21.877 0.598 1.00 -0.39 O HETATM 2330 N PRO A 81 11.392 21.743 2.695 1.00 -0.26 N HETATM 2331 CA PRO A 81 10.245 20.930 2.377 1.00 0.13 C HETATM 2332 C PRO A 81 9.164 21.937 2.722 1.00 0.20 C HETATM 2333 O PRO A 81 9.240 22.596 3.755 1.00 -0.39 O HETATM 2334 N PRO A 81 8.172 22.084 1.864 1.00 -0.26 N HETATM 2335 CA PRO A 81 7.119 23.041 2.142 1.00 0.15 C HETATM 2336 C PRO A 81 5.763 22.479 1.739 1.00 0.21 C HETATM 2337 O PRO A 81 5.682 21.403 1.142 1.00 -0.39 O HETATM 2338 N PRO A 81 4.707 23.212 2.075 1.00 -0.26 N HETATM 2339 CA PRO A 81 3.344 22.805 1.761 1.00 0.15 C HETATM 2340 C PRO A 81 2.738 23.746 0.718 1.00 0.21 C HETATM 2341 O PRO A 81 3.060 24.932 0.688 1.00 -0.39 O HETATM 2342 N PRO A 81 1.876 23.220 -0.146 1.00 -0.26 N HETATM 2343 CA PRO A 81 1.236 24.055 -1.151 1.00 0.15 C HETATM 2344 C PRO A 81 -0.249 24.195 -0.819 1.00 0.21 C HETATM 2345 O PRO A 81 -0.992 24.896 -1.510 1.00 -0.39 O HETATM 2346 N PRO A 81 -0.673 23.508 0.239 1.00 -0.26 N HETATM 2347 CA PRO A 81 -2.061 23.549 0.693 1.00 0.16 C HETATM 2348 C PRO A 81 -2.149 24.548 1.833 1.00 0.21 C HETATM 2349 O PRO A 81 -3.016 25.419 1.847 1.00 -0.39 O HETATM 2350 N PRO A 81 -1.237 24.401 2.789 1.00 -0.27 N HETATM 2351 CA PRO A 81 -1.170 25.276 3.951 1.00 0.09 C HETATM 2352 C PRO A 81 -0.070 26.309 3.735 1.00 0.06 C HETATM 2353 O PRO A 81 1.122 25.904 3.683 1.00 -0.57 O HETATM 2354 O47 PRO A 81 -0.345 27.533 3.612 1.00 -0.57 O HETATM 2355 CB PRO A 81 -0.880 24.454 5.209 1.00 -0.03 C HETATM 2356 H47 PRO A 81 -0.831 25.123 6.081 1.00 0.03 H HETATM 2357 H48 PRO A 81 0.082 23.933 5.093 1.00 0.03 H HETATM 2358 H49 PRO A 81 -1.682 23.716 5.358 1.00 0.03 H HETATM 2359 H46 PRO A 81 -2.134 25.792 4.073 1.00 0.07 H HETATM 2360 H45 PRO A 81 -0.571 23.660 2.707 1.00 0.19 H HETATM 2361 CB PRO A 81 -2.539 22.169 1.220 1.00 0.09 C HETATM 2362 OG1 PRO A 81 -1.537 21.612 2.080 1.00 -0.39 O HETATM 2363 H41 PRO A 81 -0.729 21.503 1.593 1.00 0.21 H HETATM 2364 CG2 PRO A 81 -2.825 21.218 0.065 1.00 -0.03 C HETATM 2365 H42 PRO A 81 -3.161 20.249 0.463 1.00 0.03 H HETATM 2366 H43 PRO A 81 -1.909 21.073 -0.526 1.00 0.03 H HETATM 2367 H44 PRO A 81 -3.611 21.645 -0.575 1.00 0.03 H HETATM 2368 H40 PRO A 81 -3.465 22.311 1.796 1.00 0.06 H HETATM 2369 H39 PRO A 81 -2.708 23.865 -0.139 1.00 0.08 H HETATM 2370 H38 PRO A 81 -0.018 22.943 0.741 1.00 0.19 H HETATM 2371 CB PRO A 81 1.402 23.458 -2.552 1.00 0.08 C HETATM 2372 OG PRO A 81 0.366 22.537 -2.841 1.00 -0.39 O HETATM 2373 H37 PRO A 81 0.385 21.831 -2.206 1.00 0.21 H HETATM 2374 H35 PRO A 81 2.370 22.939 -2.609 1.00 0.06 H HETATM 2375 H36 PRO A 81 1.378 24.270 -3.293 1.00 0.06 H HETATM 2376 H34 PRO A 81 1.703 25.051 -1.135 1.00 0.08 H HETATM 2377 H33 PRO A 81 1.666 22.243 -0.105 1.00 0.19 H HETATM 2378 CB PRO A 81 2.494 22.823 3.040 1.00 0.08 C HETATM 2379 OG PRO A 81 1.148 22.457 2.783 1.00 -0.39 O HETATM 2380 H32 PRO A 81 1.123 21.579 2.420 1.00 0.21 H HETATM 2381 H30 PRO A 81 2.512 23.837 3.465 1.00 0.06 H HETATM 2382 H31 PRO A 81 2.924 22.114 3.763 1.00 0.06 H HETATM 2383 H29 PRO A 81 3.360 21.783 1.354 1.00 0.08 H HETATM 2384 H28 PRO A 81 4.853 24.074 2.561 1.00 0.19 H HETATM 2385 CB PRO A 81 7.404 24.349 1.398 1.00 0.08 C HETATM 2386 OG PRO A 81 7.581 24.113 0.011 1.00 -0.39 O HETATM 2387 H27 PRO A 81 7.756 24.936 -0.429 1.00 0.21 H HETATM 2388 H25 PRO A 81 8.319 24.803 1.806 1.00 0.06 H HETATM 2389 H26 PRO A 81 6.558 25.037 1.541 1.00 0.06 H HETATM 2390 H24 PRO A 81 7.105 23.246 3.223 1.00 0.08 H HETATM 2391 H23 PRO A 81 8.147 21.538 1.026 1.00 0.19 H HETATM 2392 CB PRO A 81 10.110 19.730 3.319 1.00 -0.01 C HETATM 2393 CG1 PRO A 81 8.757 19.076 3.116 1.00 -0.06 C HETATM 2394 H17 PRO A 81 8.661 18.214 3.793 1.00 0.02 H HETATM 2395 H18 PRO A 81 8.667 18.735 2.074 1.00 0.02 H HETATM 2396 H19 PRO A 81 7.962 19.804 3.334 1.00 0.02 H HETATM 2397 CG2 PRO A 81 11.234 18.741 3.068 1.00 -0.06 C HETATM 2398 H20 PRO A 81 12.202 19.240 3.222 1.00 0.02 H HETATM 2399 H21 PRO A 81 11.172 18.370 2.034 1.00 0.02 H HETATM 2400 H22 PRO A 81 11.142 17.896 3.766 1.00 0.02 H HETATM 2401 H16 PRO A 81 10.179 20.083 4.358 1.00 0.03 H HETATM 2402 H15 PRO A 81 10.228 20.607 1.326 1.00 0.08 H HETATM 2403 H14 PRO A 81 11.539 21.994 3.652 1.00 0.19 H HETATM 2404 CB PRO A 81 14.144 23.778 1.324 1.00 0.04 C HETATM 2405 CG PRO A 81 14.528 25.189 1.723 1.00 0.04 C HETATM 2406 OD1 PRO A 81 13.609 25.956 2.092 1.00 -0.57 O HETATM 2407 OD2 PRO A 81 15.730 25.532 1.682 1.00 -0.57 O HETATM 2408 H12 PRO A 81 13.557 23.817 0.394 1.00 0.05 H HETATM 2409 H13 PRO A 81 15.060 23.193 1.155 1.00 0.05 H HETATM 2410 H11 PRO A 81 12.738 23.893 2.898 1.00 0.08 H HETATM 2411 H10 PRO A 81 14.342 23.116 4.257 1.00 0.19 H HETATM 2412 CB PRO A 81 16.063 22.230 5.345 1.00 0.01 C HETATM 2413 CG PRO A 81 17.351 21.730 5.984 1.00 -0.01 C HETATM 2414 CD PRO A 81 17.974 20.804 4.919 1.00 -0.03 C HETATM 2415 H8 PRO A 81 18.555 21.380 4.183 1.00 0.08 H HETATM 2416 H9 PRO A 81 18.620 20.044 5.383 1.00 0.08 H HETATM 2417 H6 PRO A 81 17.136 21.172 6.907 1.00 0.03 H HETATM 2418 H7 PRO A 81 18.024 22.570 6.211 1.00 0.03 H HETATM 2419 H4 PRO A 81 15.338 22.558 6.104 1.00 0.03 H HETATM 2420 H5 PRO A 81 16.256 23.054 4.642 1.00 0.03 H HETATM 2421 H3 PRO A 81 14.950 20.389 5.298 1.00 0.11 H HETATM 2422 H1 PRO A 81 16.913 20.160 3.296 1.00 0.20 H HETATM 2423 H2 PRO A 81 16.677 19.249 4.646 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 537 538 558 559 560 CONECT 558 537 CONECT 559 537 CONECT 560 537 CONECT 2322 2323 2414 2422 2423 CONECT 2323 2322 2324 2412 2421 CONECT 2324 2323 2325 2326 CONECT 2325 2324 CONECT 2326 2324 2327 2411 CONECT 2327 2326 2328 2404 2410 CONECT 2328 2327 2329 2330 CONECT 2329 2328 CONECT 2330 2328 2331 2403 CONECT 2331 2330 2332 2392 2402 CONECT 2332 2331 2333 2334 CONECT 2333 2332 CONECT 2334 2332 2335 2391 CONECT 2335 2334 2336 2385 2390 CONECT 2336 2335 2337 2338 CONECT 2337 2336 CONECT 2338 2336 2339 2384 CONECT 2339 2338 2340 2378 2383 CONECT 2340 2339 2341 2342 CONECT 2341 2340 CONECT 2342 2340 2343 2377 CONECT 2343 2342 2344 2371 2376 CONECT 2344 2343 2345 2346 CONECT 2345 2344 CONECT 2346 2344 2347 2370 CONECT 2347 2346 2348 2361 2369 CONECT 2348 2347 2349 2350 CONECT 2349 2348 CONECT 2350 2348 2351 2360 CONECT 2351 2350 2352 2355 2359 CONECT 2352 2351 2353 2354 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2351 2356 2357 2358 CONECT 2356 2355 CONECT 2357 2355 CONECT 2358 2355 CONECT 2359 2351 CONECT 2360 2350 CONECT 2361 2347 2362 2364 2368 CONECT 2362 2361 2363 CONECT 2363 2362 CONECT 2364 2361 2365 2366 2367 CONECT 2365 2364 CONECT 2366 2364 CONECT 2367 2364 CONECT 2368 2361 CONECT 2369 2347 CONECT 2370 2346 CONECT 2371 2343 2372 2374 2375 CONECT 2372 2371 2373 CONECT 2373 2372 CONECT 2374 2371 CONECT 2375 2371 CONECT 2376 2343 CONECT 2377 2342 CONECT 2378 2339 2379 2381 2382 CONECT 2379 2378 2380 CONECT 2380 2379 CONECT 2381 2378 CONECT 2382 2378 CONECT 2383 2339 CONECT 2384 2338 CONECT 2385 2335 2386 2388 2389 CONECT 2386 2385 2387 CONECT 2387 2386 CONECT 2388 2385 CONECT 2389 2385 CONECT 2390 2335 CONECT 2391 2334 CONECT 2392 2331 2393 2397 2401 CONECT 2393 2392 2394 2395 2396 CONECT 2394 2393 CONECT 2395 2393 CONECT 2396 2393 CONECT 2397 2392 2398 2399 2400 CONECT 2398 2397 CONECT 2399 2397 CONECT 2400 2397 CONECT 2401 2392 CONECT 2402 2331 CONECT 2403 2330 CONECT 2404 2327 2405 2408 2409 CONECT 2405 2404 2406 2407 CONECT 2406 2405 CONECT 2407 2405 CONECT 2408 2404 CONECT 2409 2404 CONECT 2410 2327 CONECT 2411 2326 CONECT 2412 2323 2413 2419 2420 CONECT 2413 2412 2414 2417 2418 CONECT 2414 2322 2413 2415 2416 CONECT 2415 2414 CONECT 2416 2414 CONECT 2417 2413 CONECT 2418 2413 CONECT 2419 2412 CONECT 2420 2412 CONECT 2421 2323 CONECT 2422 2322 CONECT 2423 2322 MASTER 0 0 0 0 0 0 0 0 2421 2 110 11 END
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5w6r
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5w6u
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5wle
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5wxo
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5xup
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5xwr
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6bgg
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6rr0
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6qtr
RCSB PDB
PDBbind
12-mer
6qto
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PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
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PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
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6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
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6byk
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PDBbind
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Entry Information
PDB ID
3ivq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Speckle-type POZ protein, SPOPMATH
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=76.1uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Mol.Cell Vol. 36: pp. 39-50
Ligand Properties
Formula
C
3
0
H
5
1
N
8
O
1
5
Molecular Weight
763.771
Exact Mass
763.347
No. of atoms
104
No. of bonds
104
Polar Surface Area
375.83
LOGP Value
-5.49 (
Computed with XLOGP3
)
-4.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)CO)CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)CC(=O)O
InChI String
InChI=1S/C30H50N8O15/c1-12(2)21(37-24(46)16(8-20(43)44)33-23(45)15-6-5-7-31-15)28(50)36-18(10-40)26(48)34-17(9-39)25(47)35-19(11-41)27(49)38-22(14(4)42)29(51)32-13(3)30(52)53/h12-19,21-22,31,39-42H,5-11H2,1-4H3,(H,32,51)(H,33,45)(H,34,48)(H,35,47)(H,36,50)(H,37,46)(H,38,49)(H,43,44)(H,52,53)/p+1/t13-,14+,15-,16-,17-,18-,19-,21-,22-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43791
Entrez Gene ID
NCBI Entrez Gene ID:
8405
ASD
Information of known allosteric effects of PDB entries
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